smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(NC1CCCC1)c1c(-c2ccccc2Cl)noc1-c1ccoc1 774579 ZOGQSCZWTFGLOW-UHFFFAOYSA-N 356.809 4.927 0 1 FJAF O=C(CCC1CCN(Cc2ccccc2F)CC1)c1ccc2c(c1)CCN2 13737840 YKTICKJUTVSZBR-UHFFFAOYSA-N 366.480 4.669 0 1 FJAF COc1ccc([C@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1 13741105 NWKASZAWLUVLME-INIZCTEOSA-N 361.482 4.741 0 1 FJAF Cc1cccc(NC(=O)Nc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)c1 28012354 WLRNBYWSDXOBGG-UHFFFAOYSA-N 370.412 4.746 0 1 FJAF NCCCCN(Cc1ccc2ccccc2c1)C(=O)c1c[nH]c2ccccc12 28825869 QIAAQAQLOYJRTQ-UHFFFAOYSA-N 371.484 4.702 0 1 FJAF O=C(Nc1cccc2c1Cc1c-2n[nH]c1-c1ccsc1)c1ccccc1 28896733 UKCDARAQJFBMRG-UHFFFAOYSA-N 357.438 4.962 0 1 FJAF O=S(=O)(Nc1sccc1-c1nc2ccccc2s1)c1ccccc1 43014201 LTYCYESDPJXKEZ-UHFFFAOYSA-N 372.496 4.826 0 1 FJAF COc1ccc([C@@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1 72108022 PNQYBFZDYCCUAN-GOSISDBHSA-N 366.486 4.949 0 1 FJAF CN1CC[C@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccc4ccccc4c3c12 100725672 HPUSLEQBUFQORT-AVRWGWEMSA-N 368.480 4.963 0 1 FJAF C[C@@H](NC(=O)[C@]1(C(F)(F)F)C[C@@](C)(Cl)C1)c1ccc(Cl)cc1 103203393 VOSDFABOXMDDFU-FZQKWOKYSA-N 354.199 4.857 0 1 FJAF OCc1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 143483857 DWJYNKFLNFDLRY-FQEVSTJZSA-N 356.343 4.625 0 1 FJAF CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 169369485 OGPGSYNCKSLJOF-QCPWZWHMSA-N 368.951 4.949 0 1 FJAF c1ccc(C2=NO[C@]3(c4ccccc4)S[C@@H]4CCCC[C@@H]4CN23)cc1 254076014 HIYZCGIQTOFBHX-YFVAEKQCSA-N 350.487 4.797 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 586915087 AHDSWHWOXNOELK-KUHUBIRLSA-N 374.362 4.798 0 1 FJAF Cc1ccc(CSCCc2nc3ccnc(Br)c3[nH]2)cc1 586969957 CHQOGALPZQRGEI-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF Clc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2c(Cl)n1 587021551 LKEIHSXRKCSFOB-UHFFFAOYSA-N 361.257 4.979 0 1 FJAF COc1cccc(-c2ccc(-c3nc4c(N)ccnc4[nH]3)c(Cl)c2)c1 587052561 VKPLCISWOODMAM-UHFFFAOYSA-N 350.809 4.536 0 1 FJAF Cc1onc(-c2nc3c(F)cccc3[nH]2)c1COc1ccccc1Cl 587063843 ZJEMFEWBTSJIOV-UHFFFAOYSA-N 357.772 4.898 0 1 FJAF COc1cnc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1Cl 587065136 UUMYCFQXKFHXKM-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C1(CCOCC1)CC4)-c1ccccc1C2=O 587101984 RXDHQTLTIKMXAP-UHFFFAOYSA-N 355.437 4.749 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cncc(C)c2[nH]1 587121542 FONPDJYXHKICDK-UHFFFAOYSA-N 358.323 4.689 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cc(C)c(Br)cc3[nH]2)cc1 587201122 GHTLDFYXPLOEAY-UHFFFAOYSA-N 374.282 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(N)cc1)(C1CCC1)CC2=O 587468212 BXSYJHIWEZDCEU-QFIPXVFZSA-N 351.446 4.588 0 1 FJAF CC(=O)c1cccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587504660 MVNFDBSZXPXLTP-QGZVFWFLSA-N 366.432 4.874 0 1 FJAF COc1cc(F)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587506905 QRRGAUPRSNEGQF-JOCHJYFZSA-N 370.420 4.602 0 1 FJAF Cc1nc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 587522424 FHULNCLKVZRASK-FQEVSTJZSA-N 360.413 4.630 0 1 FJAF CC(C)[C@]1(C)CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602279 HMZWQBLVIBZRCW-VLCRHTCISA-N 352.430 4.939 0 1 FJAF COc1ccc(-c2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)cc1OC 587929558 WTPJUWIVKACNIE-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF CC[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587955632 KDQHCJMZBHXHIB-NSHDSACASA-N 363.870 4.531 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1ccc2ncccc2c1 962723252 YVAUYPRPYXXJHV-VGOFRKELSA-N 364.489 4.827 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]21CCSc2ccc(Cl)cc21 963256520 DATNERUSRBNGCD-SFHVURJKSA-N 366.313 4.887 0 1 FJAF Cc1c(-c2ccc(N3CCCCC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772646077 KIPFHXAYZIYZFA-UHFFFAOYSA-N 354.400 4.772 0 1 FJAF O=C(/C=C/c1cnccc1-c1cnn(C2CC2)c1)Nc1ccc(C2CC2)cc1 2382251923 SXSQLVGBVZQXDH-BJMVGYQFSA-N 370.456 4.809 0 1 FJAF CCCC(C)(C)C(=O)N1CC[C@]1(C)C(=O)Nc1cccc2ccccc12 61905932 LNHLXPHICKFULM-JOCHJYFZSA-N 352.478 4.596 0 3 FJAF CN1OC[C@@H]2CN[C@H](c3cccc(-c4cc(Cl)cc(Cl)c4)c3)C[C@@H]21 61942630 ZREUUERGZFECCT-SNRMKQJTSA-N 363.288 4.557 0 3 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3N=O)c(C)nn12 28367051 USCWBMRENBPIIS-UHFFFAOYSA-N 366.469 4.741 0 1 FJAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CC(C)C)C[C@@H]12 28872199 NIAMQSQLPZNKFO-GAKJJMACSA-N 358.522 4.890 0 1 FJAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@H]12 40393296 OGPGSYNCKSLJOF-QIJZBDPFSA-N 368.951 4.949 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)OC(=O)CC(=O)O 40950776 OKHGAAQNADNSGY-STZQEDGTSA-N 358.478 4.591 0 1 FJAF c1ccc(Oc2ccccc2O[C@H](c2cccnc2)C2CCNCC2)cc1 43011294 MVRJFCQZNCIBPF-QHCPKHFHSA-N 360.457 4.994 0 1 FJAF CC(C)Cc1ccc(C2=NN(Cn3ccc4ccccc43)C(=O)CC2)cc1 49808668 MXGFSGHUHOMKRJ-UHFFFAOYSA-N 359.473 4.824 0 1 FJAF COc1cccc(CCNCc2coc(-c3cccc4ccccc34)n2)c1 72103023 LRAUPYBSTKVOMV-UHFFFAOYSA-N 358.441 4.836 0 1 FJAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@H](O)CC1CCCC1 73159638 DIHTUIFXCRKUAT-HXUWFJFHSA-N 370.464 4.961 0 1 FJAF O[C@@H](CSc1ccc(F)cc1)Cn1c2c(c3ccccc31)CCCC2 84689770 DNIIZIIVTJGZGE-MRXNPFEDSA-N 355.478 4.812 0 1 FJAF CCCCN(CCCC)CCn1cnc2c3cc(Cl)ccc3nc-2c1O 103904271 JDZBXWVEKGKIHO-UHFFFAOYSA-N 374.916 4.797 0 1 FJAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@@]2(N=C(N)N(C)O2)C2(CCCCC2)C3)c1 201233690 JWGCBPARRLGDMK-QHCPKHFHSA-N 372.472 4.755 0 1 FJAF CN(C(=O)[C@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C)c1ccccc1 253641138 QBSLGQKCSOHHBR-MHTWAQMVSA-N 368.908 4.569 0 1 FJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 586906730 HDDIVYNLFKKTAV-INIZCTEOSA-N 372.424 4.723 0 1 FJAF O=C(O)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586989590 CBHOFEIPZNORET-UHFFFAOYSA-N 367.360 4.517 0 1 FJAF COc1cc(OC)c2[nH]c(-c3cc(-n4cccc4)ccc3Cl)nc2c1 587052887 RJBHFBLCKRMIPS-UHFFFAOYSA-N 353.809 4.691 0 1 FJAF Clc1cc(-c2nc3ccc(Br)nc3[nH]2)c2ccccc2n1 587085609 WRHFCTJNIRHGMF-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587151168 WJLHJIZBXXMAJK-KRWDZBQOSA-N 352.800 4.952 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1cccnc1)O2 587377473 IQKIMGSZKHFJCJ-NRFANRHFSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(Br)c1)O2 587378301 UESNJEPENDBCKD-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN([C@H]3CCC[C@H](C)C3)CC1)CC2=O 587474515 HQWPKTKTZLDQCR-IRXDYDNUSA-N 371.521 4.723 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccco3)n1)CC2=O 587493726 GKDTUJZUZSDZPE-QGZVFWFLSA-N 355.415 4.768 0 1 FJAF COCCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505671 PPWBVIDBIFKYII-HSZRJFAPSA-N 368.448 4.992 0 1 FJAF Cc1cc(C)c2c(=O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)coc2c1 587533742 UWEGQKCQGAIXSU-FQEVSTJZSA-N 374.436 4.995 0 1 FJAF Cc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587589031 MTDZXOZVOMJNDF-NZQKXSOJSA-N 371.392 4.885 0 1 FJAF C[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603759 PFBZTROZUWBAJI-OECQAKIHSA-N 372.420 4.832 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1sccc12 587616991 IJMXYRZTSXSMCX-RXVVDRJESA-N 364.422 4.647 0 1 FJAF Cc1ccc2c(c1)[C@]1(C=CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839329 RMNBKTBXGOSZJD-CWTRNNRKSA-N 374.253 4.581 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccs2)N1 587850215 CVZRWVHTVQKWKB-MGPLVRAMSA-N 354.288 4.642 0 1 FJAF Cc1cccc([C@]2(CCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)c1 963095068 CDWYZJUXEUAXGK-WMZHIEFXSA-N 367.464 4.653 0 1 FJAF Cc1cccc(-c2ccc(CNC(=O)CCc3ccc4c(c3)OCO4)cc2)c1 1772576618 JMTVWUMTVBPWFN-UHFFFAOYSA-N 373.452 4.640 0 1 FJAF COc1ccc(-c2cccc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772580222 NOOISAJSPLOLRA-QGZVFWFLSA-N 371.433 4.873 0 1 FJAF Oc1cccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)c1 1857594482 ZHPPGYTVJLGUTC-UHFFFAOYSA-N 355.319 4.788 0 1 FJAF CCn1c(C(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC)cc21 1857603276 CYTVNEVRKFGDLN-UHFFFAOYSA-N 369.468 4.596 0 1 FJAF CCn1cc(C=O)c2cc(/C=C\c3cc(OC)c(OC)c(OC)c3)ccc21 1857775038 OAFNVPOMRUAEIC-SREVYHEPSA-N 365.429 4.670 0 1 FJAF COc1cc2c(c(O)c1CC=C(C)C)C(=O)C[C@](C)(c1ccccc1)O2 2356341281 KRHAIYZCWJYTDS-JOCHJYFZSA-N 352.430 4.790 0 1 FJAF COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)[C@@H]1CC[C@]1(C)C(C)=C[C@H](OC(C)=O)C[C@@H]12 2356504292 KIPBJOAUMJHVAI-NPXOMUCDSA-N 362.510 4.526 0 1 FJAF CC(=O)OCC=C(C)CCC=C(CO)CCC=C(C)[C@H](O)CC=C(C)C 2356715732 PQGMCBMSYRPHIV-JOCHJYFZSA-N 364.526 4.638 0 1 FJAF Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 4267254 KUOAPNBMHMTFAQ-UHFFFAOYSA-N 369.424 4.946 0 3 FJAF aggregator CCCN(c1nc(-c2ccc(Cl)cc2C)n(C)n1)C(C1CC1)C1CC1 26841239 RYPNODGVDDLVMX-UHFFFAOYSA-N 358.917 4.849 0 1 FJAF CCCC[C@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl 28956917 WIUSUSYCZBSTJD-ZDUSSCGKSA-N 367.877 4.869 0 1 FJAF N[C@H](/C=C/C(CO)(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1 29400708 FCYSUGMJHLFFMF-YFDWJFFGSA-N 371.524 4.577 0 1 FJAF Cc1on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c(=O)c1SC(C)C 39096451 QMJIQVKFHUGFEO-UHFFFAOYSA-N 368.886 4.787 0 1 FJAF COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3cccc(C)c3)c12 64527534 OUSPWXNXBALWFK-UHFFFAOYSA-N 357.431 4.584 0 1 FJAF Cc1cccnc1-c1ccc2c(=O)n(-c3ccc(C(F)(F)F)cc3)[nH]c2c1 136486588 NDCDEIBRKPCRDY-UHFFFAOYSA-N 369.346 4.708 0 1 FJAF Oc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1 139411675 KGDYRCIWRHRFPK-OWOJBTEDSA-N 370.040 4.793 0 1 FJAF Cc1cc2c(cc1Br)NC(=O)[C@H]2c1[nH]c2ccccc2c1N=O 169685110 AUSZHFWTWGWYQN-CQSZACIVSA-N 370.206 4.721 0 1 FJAF COc1cc(CN=O)cc(Br)c1OCc1ccc(Cl)cc1 169700559 NCQKPOVSYOKJNJ-UHFFFAOYSA-N 370.630 4.957 0 1 FJAF CCO[C@H]1CC[C@@H]2[C@@H](CC[C@@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 195514621 ZOYLVBQKNCQNAG-WDGAPPGFSA-N 366.505 4.622 0 1 FJAF CO[C@@H]1C[C@H]2C[C@@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 253636807 BLHLYSLDSMMWFB-ZGJYDULXSA-N 371.908 4.696 0 1 FJAF c1ccc(CNC[C@H]2COC[C@@](c3ccccc3)(C3CCCCC3)O2)cc1 473166156 DOAJDWYDPGLIME-BJKOFHAPSA-N 365.517 4.667 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586886098 DTQXGMRHAMENLV-BZNIZROVSA-N 350.340 4.607 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3ccnc(Br)c3[nH]2)cc1 586898003 DPGCCMXILWRIKH-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF CCCCOc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br 586900898 KZHKJJOYZVRJGG-AWEZNQCLSA-N 355.276 4.584 0 1 FJAF O=Cc1ccc(OCc2occc2-c2nc3ccc4ncccc4c3[nH]2)cc1 586901282 RZHIUVFEBFBTEN-UHFFFAOYSA-N 369.380 4.763 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586964301 XLHIBCSKSFDMMI-LBPRGKRZSA-N 368.384 4.629 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587027333 BCZACNZYFCIXDQ-UHFFFAOYSA-N 364.352 4.889 0 1 FJAF Cc1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 587060709 SAGVDFKYWVFSJM-UHFFFAOYSA-N 350.647 4.899 0 1 FJAF CC(C)Oc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587078870 CTEDDNITZIHUEA-MRXNPFEDSA-N 368.868 4.727 0 1 FJAF Cc1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587116726 ADGBJNZWWYBVFL-UHFFFAOYSA-N 354.763 4.666 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)CC)cc1)CC2=O 587470372 SXAYCYOIEWHEKF-NRFANRHFSA-N 353.462 4.897 0 1 FJAF Nc1cc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504200 QEUKXJFPENPXBX-SFHVURJKSA-N 372.262 4.617 0 1 FJAF CC(C)(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578863 RZGKZMSMAGFWOB-NQIIRXRSSA-N 363.413 4.652 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(F)cc2)N1 587729894 DWMCOYXOQZHMKX-VOJFVSQTSA-N 366.249 4.935 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816713 BYUFCBUKYKPFQH-BLVKFPJESA-N 360.270 4.621 0 1 FJAF C[C@@H](CC1CCOCC1)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834252 KNNNZLIFZUFQNR-IUUKEHGRSA-N 370.306 4.616 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cs2)N1 587850129 XGXIESODNQTGGJ-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF CC[C@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961747741 HQXZSVURSMMKGP-HXUWFJFHSA-N 372.306 4.790 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1ccc(-n3cnc4ccccc43)cc1)NCC2 962303861 XNWYQEUCLBSVIA-QHCPKHFHSA-N 357.432 4.708 0 1 FJAF COc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1SC 963103635 GCFNBKQDEJPNDQ-KRWDZBQOSA-N 354.302 4.959 0 1 FJAF CC(=O)Nc1nc(-c2ccccc2)nc2oc(-c3ccc(Cl)cc3)nc12 1857612449 JJHXIFYTZYNKJR-UHFFFAOYSA-N 364.792 4.564 0 1 FJAF O=C(O)CSc1ncnc2cc(-c3ccc(C(F)(F)F)cc3)sc12 2382250179 SLVWVRBNTMOUSY-UHFFFAOYSA-N 370.377 4.554 0 1 FJAF CCN(CC)C(=O)c1nn(-c2ccccc2)c2c1[C@H]1CC[C@@]2(C)C1(C)C 101686322 NPCBUTBQJRWYEU-OPAMFIHVSA-N 351.494 4.529 0 3 FJAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NC2CCCC2)cc1 775512 XFVINGIEFGJOHZ-UHFFFAOYSA-N 356.466 4.710 0 1 FJAF CC(C)(C)c1cc(/C=C2/C(=O)Nc3ncccc32)cc(C(C)(C)C)c1O 8657793 PEWCKIZLBXHCMC-XNTDXEJSSA-N 350.462 4.875 0 1 FJAF aggregator CCCCCC(=O)CCCCC[C@@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460223 WUILFSMTLRWUAQ-QGZVFWFLSA-N 362.466 4.582 0 1 FJAF biogenic COc1ccc2c(c1)CCC[C@H]2CCCN1CCN(c2ccccc2)CC1 13760532 IDTGHVXTQYWTPV-FQEVSTJZSA-N 364.533 4.718 0 1 FJAF O[C@]1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1 28878346 UAWALOZYZRTVNF-OAQYLSRUSA-N 354.881 4.695 0 1 FJAF CCCCCNC(=O)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O 49125561 NMGWLFPSHINEQE-UHFFFAOYSA-N 367.424 4.646 0 1 FJAF Cc1cc(N2CCc3cc(Br)ccc3C2)c2ccccc2n1 71341039 ZNVWUCYUAVERRR-UHFFFAOYSA-N 353.263 4.868 0 1 FJAF O=C1c2ccccc2N2O[C@@]3(N4CCCC4)CCCC[C@@H]3[C@]12c1ccccc1 73224130 RHTNTPVCOFBZJY-OEMFJLHTSA-N 374.484 4.512 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1 100638153 IZKCKIYKSIIUFD-AWEZNQCLSA-N 367.474 4.754 0 1 FJAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2)n1 169726278 QIUTZYBWGKVERK-MRXNPFEDSA-N 373.840 4.997 0 1 FJAF CNc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988567 MFROOTAWIRJCQE-UHFFFAOYSA-N 352.393 4.861 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048680 JHAPPOXXQGBLSN-XIZWVBILSA-N 361.232 4.865 0 1 FJAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1C(C)C)-c1ccccc1C3=O 587096271 BUPLRTUYKNGOMZ-UHFFFAOYSA-N 373.452 4.984 0 1 FJAF Cc1cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587198166 ZVOLATRYMOVHOW-GFCCVEGCSA-N 358.283 4.852 0 1 FJAF Cc1cc2[nH]c(-c3cc4ccccc4cc3NC(=O)C(C)C)nc2c(C)n1 587247871 VTYYIPVJFZZGGT-UHFFFAOYSA-N 358.445 4.989 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@H](O)C3)c1 587365022 CHZVHWBHVYBQDA-ORAYPTAESA-N 359.425 4.752 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cnc(Cl)c1Cl)O2 587379573 JHLOZHSNXXJHSV-LLVKDONJSA-N 357.624 4.639 0 1 FJAF CCC[C@@H](OC)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402617 ZYNPHAFYNSLDLR-IRLDBZIGSA-N 353.462 4.945 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OC(C)=O)c(C)c1)CC2=O 587480068 MZDBRQONAGIUQD-FQEVSTJZSA-N 368.429 4.593 0 1 FJAF Nc1ccc(Br)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496225 HSAAEFNLVVGAIF-SFHVURJKSA-N 372.262 4.617 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575064 IACFAIPWIOFYBG-DENIHFKCSA-N 357.365 4.820 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccncc2c1 587585156 CDLZDJOPNBDCFB-REWPJTCUSA-N 369.376 4.643 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603806 RUCWXFOHJJTOLO-KMGDZORRSA-N 362.425 4.715 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587722658 ZMTHPIWWQAFEHH-HUTHGQBESA-N 370.212 4.798 0 1 FJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587808448 QEJIYXGOWPONTC-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC2(C)C 587824466 WXQRKEFSQXOPCR-YUNKPMOVSA-N 374.297 4.948 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(F)cnc4[nH]3)c2C)c(OC)c1 587929660 OMRRHTWWGZZCJL-UHFFFAOYSA-N 363.392 4.757 0 1 FJAF Cc1ccc(-c2cnc(C3(O)CCN(Cc4ccccc4)CC3)s2)cc1 653719009 AUPLREMIGCVQPZ-UHFFFAOYSA-N 364.514 4.602 0 1 FJAF CC(=O)c1ccc2c(c1)C[C@]1(O2)[C@H](C)CC[C@H](OC(=O)C=C(C)C)C1(C)C 2356397341 AXJLAMRDMMTQFT-XLHILCRZSA-N 370.489 4.897 0 1 FJAF CCCCCC=CC[C@@H]1O[C@@H](C=C=CBr)C[C@H]1OC(C)=O 2356793379 KLCHFJGEHIUFMA-BGMDELTPSA-N 357.288 4.666 0 1 FJAF Cc1nc(-c2cc(C)c(OCCCc3cc(C4CC4)no3)c(C)c2)no1 1535250 YXCAHFBGGAZTSF-UHFFFAOYSA-N 353.422 4.539 0 1 FJAF CCCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2[C@@H]1O 28229932 AYOHBNKIDNBRON-XZOQPEGZSA-N 368.473 4.897 0 1 FJAF COc1ccc([C@@H]2CC[C@@H](OCCCCCc3cccnc3)O2)cc1OC 29309088 MFTIEUGKMLRBCW-UGKGYDQZSA-N 371.477 4.706 0 1 FJAF CCCNC(=O)Oc1cccc2c1-c1cccc3c1[C@@H](C2)N(CCC)CC3 38238400 YDWFTGNATPRSQH-LJQANCHMSA-N 364.489 4.717 0 1 FJAF COc1cc(/C=C/c2nc(-c3ccccc3)cn2C)ccc1-n1cnc(C)c1 43171173 WGVNUPKENODMAA-ZRDIBKRKSA-N 370.456 4.760 0 1 FJAF CN1CCC(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1 49112958 FULHSULYTYVOGW-UHFFFAOYSA-N 352.869 4.601 0 1 FJAF CCCCNc1nc(Nc2ccccc2)nc2oc(C)c(C(=O)OCC)c12 64511942 PXNJSTDZLUEBFT-UHFFFAOYSA-N 368.437 4.664 0 1 FJAF Brc1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 71317876 HFGGOKLWANRQQD-UHFFFAOYSA-N 362.267 4.716 0 1 FJAF CCS(=O)(=O)c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3)nc2c1 84687557 UCTMDJGIDNKBDF-UHFFFAOYSA-N 362.454 4.691 0 1 FJAF COc1ccc[n+]2c1[C@@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722137 PVEDDOYQFMYTGA-UNMCSNQZSA-N 370.428 4.593 0 1 FJAF CN(N)c1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1 115759892 HGYGNVJCWOVMNZ-UHFFFAOYSA-N 360.392 4.538 0 1 FJAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@H]1CCCC[C@H]12 195515240 YQDIZAHKTNEAGG-LXDRIQHSSA-N 370.452 4.729 0 1 FJAF Cc1c(Cl)ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997734 SGOLQANPIOMGBF-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(Br)nc2[nH]1 587066503 OVXDGZRJODIAJT-SECBINFHSA-N 366.646 4.822 0 1 FJAF Fc1ccc2c(-c3nc4c(Br)cnc(Cl)c4[nH]3)coc2c1 587175895 XSFUIGBSNRJKSV-UHFFFAOYSA-N 366.577 4.926 0 1 FJAF CC(=O)c1ccc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224913 IGQZJPHMCPZVES-QGZVFWFLSA-N 357.454 4.522 0 1 FJAF COc1ccc(OC(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509847 XFKMESKEKPENPW-IBGZPJMESA-N 374.383 4.882 0 1 FJAF C[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557923 PUSXJUWISFIMKQ-NQIIRXRSSA-N 368.335 4.547 0 1 FJAF CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615941 YEBHZJMICVXKLD-QFBILLFUSA-N 370.451 4.879 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cccc(Cl)c1 587657546 XFIFNQGYAPAEGG-UHFFFAOYSA-N 350.780 4.845 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2)N1 587777168 FRXIGACSNFBGAT-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccncc23)N1 587779072 PYNKAKIIOCITMC-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 587950200 ADELSXDAQKLIJB-WHXUTIOJSA-N 358.816 4.572 0 1 FJAF FC(F)(F)[C@@]1(Cc2ccccn2)NCCc2cc(-c3ccccc3)ccc21 962672380 XCKXCGPEJYEQLN-NRFANRHFSA-N 368.402 4.895 0 1 FJAF CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc3c(c2)CCC3)n1 1772606074 NNSPIADKSFNERQ-UHFFFAOYSA-N 360.465 4.668 0 1 FJAF COc1ccc(SCc2ccc(C(=O)Nc3ccccc3N)cc2)cc1 1857547602 OHHKIRZGQVDOQY-UHFFFAOYSA-N 364.470 4.822 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC[C@H](C)C(=O)CC=C(C)C 2356493926 LDJJMUSJYLVPLC-IBGZPJMESA-N 364.526 4.927 0 1 FJAF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1cccc(Cl)c1 73278951 JCJHYMTUOKATGW-UHFFFAOYSA-N 363.808 4.922 0 3 FJAF CCCCN[C@@H](c1cccc(O)c1)[C@@H](NCCCC)c1cccc(O)c1 27899186 NYFJJXRDCLDJDJ-VXKWHMMOSA-N 356.510 4.660 0 1 FJAF CCOC(=O)c1ccc(-c2c(Cl)nc(C)nc2NC2CCCC2)cc1 28824768 WAWCDNQEFKLKNN-UHFFFAOYSA-N 359.857 4.637 0 1 FJAF COc1cc(NCCCCCCN2CCSCC2)c2nccc(C)c2c1 29563133 CENRQKPARYINQC-UHFFFAOYSA-N 373.566 4.573 0 1 FJAF CCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1c(F)cccc1F 40394879 XWOIUBAXLYJGRD-UHFFFAOYSA-N 367.779 4.827 0 1 FJAF Oc1ccc2nc(Nc3ccccc3)nc(NCCc3ccccc3)c2c1 45188960 DNDGMYCTBWHUKZ-UHFFFAOYSA-N 356.429 4.734 0 1 FJAF Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1C 64637967 QHVPSIYYDYZSAO-IBGZPJMESA-N 366.461 4.608 0 1 FJAF CC(C)=CC(=O)Nc1cc2cc(O)c3nccc4c3c2n1-c1ccccc1-4 96910857 IWIBKNRYVHDQHU-UHFFFAOYSA-N 355.397 4.769 0 1 FJAF biogenic CCCC[C@]12C[C@]1(C(=O)Oc1ccccc1)C(=O)Nc1ccc(Cl)cc12 101407454 VIDRLXIQSOUTDO-NHCUHLMSSA-N 369.848 4.716 0 1 FJAF Cc1cc(-c2ccc(C(=O)NCCc3ccc(Cl)cc3)cc2)ccn1 103283579 VDDYCTONEBMNJK-UHFFFAOYSA-N 350.849 4.683 0 1 FJAF Fc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c(F)c1F 587006961 VJYFSVKVMBSALY-UHFFFAOYSA-N 366.140 4.662 0 1 FJAF CCOC(=O)[C@H](C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587097391 MDYZNYQXCYHJIA-CQSZACIVSA-N 373.452 4.984 0 1 FJAF CCCc1c(CC(=O)OCC)nc2cccc3c2c1-c1ccccc1C3=O 587105659 DAZPKAJZKZPDBI-UHFFFAOYSA-N 359.425 4.504 0 1 FJAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cccnc3[nH]2)c(Cl)c1 587159444 QDWITCIIAWDXEK-KRWDZBQOSA-N 353.784 4.919 0 1 FJAF COc1ccc2nc(Cc3cccc(-c4ccc(F)cc4OC)c3)[nH]c2c1 587159532 QOBYLZJZKMDMQX-UHFFFAOYSA-N 362.404 4.977 0 1 FJAF Cc1ccccc1CC(=O)Nc1ccc(-c2nc3cccc(C)c3[nH]2)c(O)c1 587240236 HJWZPJWUMUQFJB-UHFFFAOYSA-N 371.440 4.734 0 1 FJAF Cc1c(Br)cc2nc(/C=C\C(=O)Nc3ccccc3)[nH]c2c1C 587243440 DMKGIJOJPAJAQY-HJWRWDBZSA-N 370.250 4.594 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C(F)(F)F)ccc1F)O2 587381399 ICWWQWJDZGBIPY-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)F)c(Cl)c1)O2 587382892 PGYYIBUIASITBV-HNNXBMFYSA-N 353.752 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587418851 AYJCLMFSKLFMFZ-WBUIGNHESA-N 362.347 4.634 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)ccc1O)[C@@H](C2)C3=O 587450611 NFSYOUHBHYDNAG-MBSDFSHPSA-N 358.393 4.557 0 1 FJAF O=C1C[C@@H](c2ccc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 587529794 BWXJTYGKHVEBTF-SFHVURJKSA-N 353.487 4.934 0 1 FJAF CC(C)CC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602028 IDQLHYRFGUGURY-SIKLNZKXSA-N 352.430 4.939 0 1 FJAF CC(C)[C@]1(C)CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602278 HMZWQBLVIBZRCW-STZQEDGTSA-N 352.430 4.939 0 1 FJAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(F)cc1 587629980 BZXFOZIKYDSXTM-UHFFFAOYSA-N 363.747 4.507 0 1 FJAF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cccc(F)c12 587633413 CRUIPKNBWMSKTN-UHFFFAOYSA-N 368.152 4.982 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587721122 OVIBUZKPLUCBJV-CQLKUDPESA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3c2)N1 587804720 SAMGXVZBSRZVJN-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)c2)N1 587846836 IOICNAWGUUYBLY-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF C[C@]12CC[C@@H]3c4cc(-c5cccc(O)c5)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 1857647800 MBJXQDMNUYSIRR-YDNKQOOJSA-N 364.485 4.982 0 1 FJAF CC[C@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1CC1 1857651972 NXQHGTIGUQOJSX-KRWDZBQOSA-N 370.859 4.610 0 1 FJAF O=C(O)[C@H](CC=CCCCCCCCC[C@@H]1C=C(CO)CC1)CCCO 2356763827 UBGUJVICJUKELH-PZJWPPBQSA-N 366.542 4.856 0 1 FJAF Fc1ccc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1F 2382219012 BNQXCIUECRAWBD-QGZVFWFLSA-N 371.412 4.729 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1cccnc1)[C@@H]2O 13681705 FCVLVYMOBDNAMK-YAHMPAOTSA-N 361.485 4.698 0 1 FJAF in-vivo COc1ccc(-c2ccc(C(=O)O)cc2)cc1OC1Cc2ccccc2C1 13745199 QIWNIPLAZVSPFF-UHFFFAOYSA-N 360.409 4.607 0 1 FJAF CC1(C)CC(=O)[C@@H]2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCO4)C1 17525792 SCZNBUSACJWPPT-SFTDATJTSA-N 365.404 4.778 0 1 FJAF COC(=O)[C@@H]1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 26952084 GCOMVGGFTNTLHZ-NHCUHLMSSA-N 371.908 4.551 0 1 FJAF CC(=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 27419782 SUEPTDAMYWMEOU-LYANZRBVSA-N 356.506 4.801 0 1 FJAF CCCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cccc2C)n1 27439344 BELAWFDFLREXKL-UHFFFAOYSA-N 361.493 4.957 0 1 FJAF Cc1cc([C@@H](c2ccc(C3CCCCC3)cc2)N2CCN(C)CC2)sn1 28254581 WPOPQUJLKPNWJA-JOCHJYFZSA-N 369.578 4.836 0 1 FJAF O=C1Nc2ccccc2[C@@]1(c1ccc(O)cc1)c1cccc(C(F)(F)F)c1 29552642 HXVKBYMZGDSNQK-HXUWFJFHSA-N 369.342 4.698 0 1 FJAF C[C@@H]1[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C[C@@H](C)OCc1ccccc1 38157285 CUHNXKIICYLWNY-HGEDTPFNSA-N 365.517 4.522 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]2c2ccccc2)c1Cl 40901153 WYRNSAHBBNFDJU-QGZVFWFLSA-N 350.853 4.842 0 1 FJAF CC(=O)Nc1cccc(Oc2cncc(N[C@@H]3C[C@H](C)CC(C)(C)C3)n2)c1 82068843 DOMDJPXLJKOZMI-WMLDXEAASA-N 368.481 4.854 0 1 FJAF O=c1cc(-c2ccccc2)oc2cc(OCCNc3ccccc3)cc(O)c12 103290697 XMFZIKBBPZMEBZ-UHFFFAOYSA-N 373.408 4.657 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)O[C@H](C)[C@@H]2c2ccccc2)n1)c1ccccc1 142049089 DYWBLVKYYWCZIN-RZQQEMMASA-N 374.444 4.736 0 1 FJAF CC[C@H]1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 169341835 IHHKRBWQSBPVHH-LJQANCHMSA-N 373.500 4.673 0 1 FJAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(F)cc3)C2)cc1C 169728210 XJZKFKOZPJRMIU-GOSISDBHSA-N 367.449 4.960 0 1 FJAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1 299821115 SZQSNCKURPPYDK-BKFWDETESA-N 370.496 4.765 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(Cl)cccc3[nH]2)s1 587023366 OOANAFHRINJTBJ-UHFFFAOYSA-N 350.831 4.687 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2cncc(Br)c2[nH]1 587048862 BOAGHDNQZWIIMV-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587049949 KHXNPRBHYOTGDQ-UHFFFAOYSA-N 355.612 4.544 0 1 FJAF Cc1c(Br)cc2nc(-c3cc(=N)[nH]c4ccccc34)[nH]c2c1C 587253391 GLULINCILYEVRT-UHFFFAOYSA-N 367.250 4.570 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587449359 BGWKSSCKKVILAW-MBSDFSHPSA-N 364.441 4.634 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnn(C3CCCCC3)c1)CC2=O 587475451 MCIGQNOLFYHWSC-FQEVSTJZSA-N 354.450 4.753 0 1 FJAF O=C1C[C@@H](c2ccc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587506558 YVOWCOUJGGCLKX-SFHVURJKSA-N 373.246 4.740 0 1 FJAF Cc1ccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587508453 ATZGFOMDDDPPMF-DKUDOZJNSA-N 361.485 4.810 0 1 FJAF Cc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1ccccc1 587513460 TVKKMCSJMQHTIC-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF Cc1nc2scc(C)n2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587539342 VQCASICASVFTIO-KRWDZBQOSA-N 352.459 4.598 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1Cl 587545525 GYOXLMYNLTUMPW-OALUTQOASA-N 366.800 4.619 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2[nH]ccc12 587592387 YHSJUEAJKXWCLG-KNQAVFIVSA-N 357.365 4.576 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587604007 TYEYHDXXGJHNLR-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(C(=O)C(=O)OC)c2c1 587642743 PVTCTBLLYMABOZ-NSHDSACASA-N 371.383 4.982 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2F)N1 587725191 CAYMLPWGAFVLPR-XYZCENFISA-N 370.212 4.664 0 1 FJAF COC(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1OC 587968363 MZBIBRBLVQKEJP-JLHYYAGUSA-N 358.397 4.682 0 1 FJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@]21CCC12CCCC2 962960774 VJWLDRNNSJEBJL-HXUWFJFHSA-N 365.439 4.906 0 1 FJAF COc1cc(C2=CCCCc3c2ccc2c3ccn2C)cc(OC)c1OC 1772572943 FKVHLZDLUYCWSX-UHFFFAOYSA-N 363.457 4.972 0 1 FJAF Cc1cccc(Cl)c1OCCCCN1CCN(c2ccccc2)CC1 1772599431 AOQBXISSXQCPGD-UHFFFAOYSA-N 358.913 4.630 0 1 FJAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@@H](c2ccoc2)OC1=O 2356331289 YQBLLNPEOGXFFB-QWFPDTJYSA-N 358.434 4.547 0 1 FJAF CC=C(C)C(=O)O[C@]1(C)CCC2=C(C(C)C)[C@@H](OCC)C[C@]2(C)CC1=O 2356692090 JAFLAPVIZWDZGL-MTNREXPMSA-N 362.510 4.775 0 1 FJAF COc1cccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c12 13588893 RVKRNOKULLUSKE-UHFFFAOYSA-N 350.201 4.703 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CC[C@@H]2CCCNC2)cc1 13780284 TUQGRYVTVRNIIC-INIZCTEOSA-N 369.896 4.658 0 1 FJAF Fc1ccc([C@@H]2C[C@@H](N3CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1 28014425 HZGOJAUJCZDFAZ-JTHBVZDNSA-N 368.471 4.569 0 1 FJAF COc1cc2c(cc1O)Cc1c-2n[nH]c1-c1ccc(-c2ccc(O)cc2)cc1 28952755 STCNWCXIIURNLZ-UHFFFAOYSA-N 370.408 4.735 0 1 FJAF O=C(O)Cc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29129047 ASRXJVBKNHXPIV-UHFFFAOYSA-N 373.861 4.593 0 1 FJAF Cn1ccc(C2=CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 36322746 MWFGFJCWGXXGTB-PSZCFUFSSA-N 352.522 4.737 0 1 FJAF COc1ccc([C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@@H]2N3C)cc1OC 101065843 UBUINJQFQXKDNL-SRYPRDQNSA-N 351.490 4.746 0 1 FJAF O=C(CCCN1C[C@@H]2C[C@@H]1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 101229915 ZBMQPMVISGXIDJ-BTYIYWSLSA-N 372.871 4.610 0 1 FJAF O=c1ccc(-c2ccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)cc2)c[nH]1 206117245 FLJQPWRPPBTVIK-UHFFFAOYSA-N 355.319 4.604 0 1 FJAF COc1cc(C(=O)N[C@H](C)c2ccc3ccccc3c2)ccc1-c1cn[nH]c1 213920243 UVDICPSQYBDYJS-OAHLLOKOSA-N 371.440 4.730 0 1 FJAF Cc1cc(Cc2nc3ccc4ncccc4c3[nH]2)ccc1Br 586975932 HEMWIHBSDAEGNY-UHFFFAOYSA-N 352.235 4.773 0 1 FJAF Fc1cc(Cl)cc2nc(-c3ccnc(Br)c3Cl)[nH]c12 587005615 NBGIGKOJNGCQQG-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Nc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cc1N 587040005 JJEKONKUGCUMFD-UHFFFAOYSA-N 373.485 4.573 0 1 FJAF COc1cc(/C=C\c2nc3cccnc3[nH]2)cc(Cl)c1OCC(C)C 587046684 JLVKQUPNUVRSOX-SREVYHEPSA-N 357.841 4.825 0 1 FJAF COc1cccc(-c2ccc(-c3nc4cc(N)c(N)cc4[nH]3)c(Cl)c2)c1 587051936 GRLBUXARPRZRAT-UHFFFAOYSA-N 364.836 4.723 0 1 FJAF Nc1cccc(O)c1-c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587249594 GRXYEWFJHGCYTD-UHFFFAOYSA-N 358.426 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4F)o1)[C@@H](C2)C3=O 587427790 VOAKELZVSIJONN-ZSEKCTLFSA-N 368.335 4.722 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1occc1Br)CC2=O 587459876 ZILSHAYWBFHELV-QGZVFWFLSA-N 365.223 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C(/C)N(C)C)(c1cccs1)CC2=O 587492347 CKVWBZTVJPMYTF-KGXYIWNSSA-N 371.502 4.732 0 1 FJAF CC[C@@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505442 KZOGLYSJCFJQAS-NRFANRHFSA-N 358.384 4.820 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2n1 587584488 AMAOXVXWZDQIRG-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF CC[C@]1(c2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727683 CBDSIZVHPOOLAI-BBATYDOGSA-N 366.249 4.915 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc3C2)N1 587817229 JKVHKTCRTSZMLG-HXPMCKFVSA-N 360.270 4.507 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(Cl)nn1 587853982 CHULJTBFQOJUDV-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF COc1cccc(C2(c3nc4ccc(Br)nc4[nH]3)CCCC2)c1 587929890 ABVHJHOGOLAOGZ-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF COC(=O)c1ccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587934748 FSIKWTGUCNJVQC-OAQYLSRUSA-N 372.424 4.538 0 1 FJAF COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)co2)cc1OC 621429859 BDUWWFWUKRRFOY-ZDUSSCGKSA-N 369.392 4.594 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)N(C)CC3)n1 653753047 OPPOCBRBUHZAHS-OAQYLSRUSA-N 370.500 4.934 0 1 FJAF Oc1ccc(-c2[nH]nc(NCc3ccsc3)c2-c2ccc(O)cc2)cc1 653871496 CJRLKTDAVCBYEX-UHFFFAOYSA-N 363.442 4.829 0 1 FJAF CN(CCCCN1C(=O)CCCc2ccccc21)Cc1ccc(Cl)cc1 1772643925 HQVKLPVLYHNYRH-UHFFFAOYSA-N 370.924 4.922 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@](OC)(CC[C@H](C)[C@]2(C)CCc2ccoc2)C1 2356430165 HTOGWGIDXDORHJ-PWZKMPOXSA-N 360.494 4.933 0 1 FJAF CCC(CC)c1nc2cc(NC(=O)c3ccc(F)cc3)c(N(C)C)cc2[nH]1 2382241285 ZYBBTLKTPALNMH-UHFFFAOYSA-N 368.456 4.924 0 1 FJAF CCCCCC(=O)CCCCC[C@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460225 WUILFSMTLRWUAQ-KRWDZBQOSA-N 362.466 4.582 0 1 FJAF biogenic COc1ccc(C(=O)Nc2ccccc2Cl)cc1OC(=O)C(C)(C)C 13736976 WPOSIDWEVPCJQO-UHFFFAOYSA-N 361.825 4.552 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(Cl)c(F)c3)cn12 14961205 AVYLKDHIHFEVPA-UHFFFAOYSA-N 356.788 4.967 0 1 FJAF NCc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)Cc1ccccc1-2 27299092 KIARLYQDZNVDKS-UHFFFAOYSA-N 356.256 4.668 0 1 FJAF c1ccc(Cn2c(SCc3ccncc3)nnc2-c2ccsc2)cc1 28976757 XBQRXFGRDYXISX-UHFFFAOYSA-N 364.499 4.742 0 1 FJAF CC12C[C@@](C)(C(=O)Nc3nccs3)C(c3ccccc31)c1ccccc12 40914503 RKZJWUOBFCJJTR-FQUBMZHMSA-N 360.482 4.943 0 1 FJAF Cc1ccc(C(CC[C@@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 84616026 SNWPAIZRMSCBKP-JOCHJYFZSA-N 359.469 4.522 0 1 FJAF FC(F)(F)c1ccc(-c2nnc3ccc(NC4CCCCC4)nn23)cc1 84669936 PVKRXEQHNSCYHU-UHFFFAOYSA-N 361.371 4.555 0 1 FJAF O=C(CCCCCCCCCCCCCCO)Cc1cc(O)cc(=O)o1 263614618 OUZOXXPHNGORMA-UHFFFAOYSA-N 366.498 4.521 0 1 FJAF in-vitro Oc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)ccc2c1CCCC2 586897321 AKRHJKCRQAAXJF-UHFFFAOYSA-N 350.315 4.972 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3cc(Br)ncc3[nH]2)cc1 586898785 OJMAWZBSOWZFOK-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Brc1c[nH]c2nccc(-c3nc4ccc5c(c4[nH]3)CCCC5)c12 587004087 QGSKMCRCRZTRLO-UHFFFAOYSA-N 367.250 4.748 0 1 FJAF N=C(N)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587129624 YTEMXIIADLVROT-UHFFFAOYSA-N 369.400 4.575 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccc(F)cc3c1C)CC2=O 587472604 RXFHHWHCEVQXOV-IBGZPJMESA-N 353.393 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(C)c3nc1O)CC2=O 587487128 DMZSPKZQNJYVQB-IBGZPJMESA-N 363.413 4.613 0 1 FJAF COc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587497453 AWNBSIIBLBCDOB-GOSISDBHSA-N 372.848 4.943 0 1 FJAF Cn1c(C(F)(F)F)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506501 JZQCMFNHNCSRLA-IBGZPJMESA-N 363.379 4.803 0 1 FJAF Cc1ccc2occ([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587532538 OOGYRYOQLWWXEI-NRFANRHFSA-N 360.409 4.687 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC21CCOCC1 587535805 OAUWJXVCJZRDDY-RUZDIDTESA-N 374.480 4.779 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)cnc3[nH]2)cc1 587565036 UWHCFBJVHPKZIQ-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF CC(C)(C(=O)O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C(=O)O)cccc12 587639168 WVRHVBYSEILYFX-UHFFFAOYSA-N 357.793 4.549 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(O)c2)N1 587696476 ULEORTITAOXWBK-VPTHRUTESA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2F)N1 587713452 CIKQGQVYQAVBTA-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587787324 ODYPGGNVWITJHS-UHFFFAOYSA-N 364.779 4.627 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(C3CC3)n2)N1 587850192 CPANGDJONUTHLL-ANRSDYALSA-N 367.287 4.546 0 1 FJAF Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccccc2Cl)o1 653883172 VRABMSMVKIVJMR-UHFFFAOYSA-N 354.822 4.884 0 1 FJAF O=C(Nc1cc(F)cc(F)c1)N(Cc1ccc(F)cc1)Cc1ccco1 1857556458 YDSZEDXSWRYWJW-UHFFFAOYSA-N 360.335 4.931 0 1 FJAF CC(=O)Oc1ccc(-c2ccc(CNCCc3c[nH]c4ccccc34)o2)cc1 1857596116 DENJRYMBKIFOOL-UHFFFAOYSA-N 374.440 4.686 0 1 FJAF Cc1ccc(Cn2c(C)c(CN[C@@H]3CCCC[C@H]3C)c(C(=O)O)c2C)cc1 6806730 OVYSVTDQIORIII-IIBYNOLFSA-N 368.521 4.828 0 1 FJAF Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1 34635191 KOLWUEPBLSFTTN-QGZVFWFLSA-N 370.500 4.885 0 1 FJAF CC(C)(C(=O)N1CC[C@@H](c2c[nH]c3ncccc23)C1)c1ccc(Cl)cc1 43205053 VGKMTBSSNGZXKS-CQSZACIVSA-N 367.880 4.510 0 1 FJAF Cc1ccc(CC(C)(C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45195969 KIJLCSLNCQZTSL-SFHVURJKSA-N 351.412 4.658 0 1 FJAF CC(C)c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 96273829 KAVXYMZAMUADJS-UHFFFAOYSA-N 356.376 4.918 0 1 FJAF COc1c2c(c(OC)c3c(-c4ccc(O)cc4)c(C)c(C)cc13)OCO2 141281379 KUPJJHGRWKAFQW-UHFFFAOYSA-N 352.386 4.575 0 1 FJAF CCCSc1nc([C@H](C)c2c(F)cccc2Cl)c(CC)c(=O)[nH]1 169352210 SDJDQKDKOGJRSI-SNVBAGLBSA-N 354.878 4.779 0 1 FJAF Cc1cc2nc(-c3ccc(-c4nnc(-c5cccnc5)o4)cc3)[nH]c2cc1C 473134961 KEBOTQNZRWRBSO-UHFFFAOYSA-N 367.412 4.959 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3cccc4c3OCC4(C)C)nc2c1 586910778 BDAGPECWKZYWEA-UHFFFAOYSA-N 357.251 4.971 0 1 FJAF Cc1c(Br)ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587036481 CODFLOMLTJDKDM-CYBMUJFWSA-N 363.280 4.552 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2c1 587061147 BHCBGUUYFKOJEB-QGZVFWFLSA-N 372.852 4.852 0 1 FJAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ncc[nH]c-2n1 587070851 IEBSFAIWMGUSSP-IPUYDCKKSA-N 359.260 4.977 0 1 FJAF Fc1cc(Br)cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080040 KNYLTTSVKYYDQJ-CYBMUJFWSA-N 367.605 4.794 0 1 FJAF Fc1cc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1-n1cccn1 587086611 AZUNIGUEKGJCDS-UHFFFAOYSA-N 351.772 4.689 0 1 FJAF Fc1ccc(/C=C\c2nc3cc(Br)c(F)cc3[nH]2)c(F)c1 587148284 HQTAWYUICLORBY-RQOWECAXSA-N 353.141 4.913 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(C)ccc3nc1Cl)O2 587378209 AMBURCORSBIFTN-SFHVURJKSA-N 352.821 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3cccs3)c1)O2 587414224 ROKSJXBLXIIQTL-FQEVSTJZSA-N 365.454 4.924 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)cc4F)o1)[C@@H](C2)C3=O 587427348 SUBSVLALFWUZSG-LHSJRXKWSA-N 368.335 4.722 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccnc3ccc(F)cc13)CC2=O 587469549 AJMJNNQCDXPPQU-FQEVSTJZSA-N 351.377 4.739 0 1 FJAF C[C@H](COCc1ccccc1)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524490 RLTPWSASYATVAB-ZHRRBRCNSA-N 350.458 4.752 0 1 FJAF CC(C)(O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528697 DXWTYCVDZMAWCW-HSZRJFAPSA-N 350.458 4.673 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]ccc12 587592389 YHSJUEAJKXWCLG-SIKLNZKXSA-N 357.365 4.576 0 1 FJAF C[C@@H]1CC(C)(C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601997 GPISBMUFNJGBRI-JPEVHGAISA-N 352.430 4.939 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3cnn(CC)c3C)c(N3CCOCC3)c2c1 587643711 WRRXGUNFKSRCQU-HNNXBMFYSA-N 366.509 4.710 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)N1 587826151 GUUYRMUEBUAKIM-SKCNCAIJSA-N 364.302 4.774 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)s2)N1 587847929 MUKUSYWMBPGSKY-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2c1oc1ccccc12 587872323 USGQYLTUQCQKTI-UHFFFAOYSA-N 374.375 4.767 0 1 FJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587938671 YNWJIAUXECHABT-FVMDXXJSSA-N 368.330 4.567 0 1 FJAF O=C1CCc2cc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3cc2N1 587956165 WASUYEORHOIGDD-IBGZPJMESA-N 367.452 4.822 0 1 FJAF Clc1ccc(C[N@]2C[C@H]2COc2cccc3cnccc23)c(Cl)c1 1857742799 FAXVDFJZIAPIMJ-QMHKHESXSA-N 359.256 4.805 0 1 FJAF CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)C=CC=Cc1ccc3c(c1)OCO3)C2 2356617747 PRQIQLZCTBYMPT-NBCNXNJRSA-N 354.446 4.743 0 1 FJAF CO[C@@H]1C=C(CCC=C(C)CC[C@@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 2356788531 XCMQDKISWYFCMG-LQWHRVPQSA-N 350.499 4.526 0 1 FJAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5cccc(Cl)c5)ccc4CCN3C[C@@H]12 199740110 DXPGSHQKIOZUJI-SVWBVHECSA-N 368.908 4.560 0 3 FJAF COc1ccc(/C=C\C(=O)O)cc1C/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O 14454965 BNKBJTGWXDOAKC-JWXFZIJFSA-N 372.461 4.570 0 1 FJAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C=C(C)[C@@H]2C)cc1OC 14726918 GRJMIMFTPGNXIC-RCDICMHDSA-N 354.446 4.906 0 1 FJAF biogenic c1ccc(C2=NO[C@]3(c4ccccc4)S[C@@H]4CCCC[C@H]4CN23)cc1 17216642 HIYZCGIQTOFBHX-FBBABVLZSA-N 350.487 4.797 0 1 FJAF COc1ccc(CCN2CCC[C@H]2COCc2ccc(Cl)cc2)cc1 27192725 JIXVFJJVFSAYBJ-FQEVSTJZSA-N 359.897 4.572 0 1 FJAF O=C(Cc1ccc2cc(-c3n[nH]c4cccnc34)[nH]c2c1)c1ccccc1 66079106 CDVMXMZPDJHSCC-UHFFFAOYSA-N 352.397 4.532 0 1 FJAF in-vitro CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 84687886 KEQCKEFNTDXKBN-MRXNPFEDSA-N 350.245 4.631 0 1 FJAF CC(C)(C)C1=NN(C(=O)Nc2ccccc2)[C@H](c2ccc3c(c2)OCO3)C1 95557125 OHGZCIQPLGQPTE-INIZCTEOSA-N 365.433 4.796 0 1 FJAF COc1cc(Nc2ncnc3c2sc2cc(OC)ccc23)cc(OC)c1 95596729 BSQXAKKFUBFPFS-UHFFFAOYSA-N 367.430 4.614 0 1 FJAF Cc1ccc(-n2ccnc2)c(NC(=O)c2cnc(-c3ccccc3)s2)c1 96937921 IRDKASZLBXOERK-UHFFFAOYSA-N 360.442 4.557 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc12 586888687 XHABWULWCWOULL-APPDUMDISA-N 374.669 4.745 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587148801 HPSRXSMCGDHSOF-HXUWFJFHSA-N 361.376 4.632 0 1 FJAF Cc1ccc2c(ccc3nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c32)n1 587198053 SACLNNUEIZLVKB-GOSISDBHSA-N 368.481 4.984 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2cccc(C(F)(F)F)c2[nH]1 587229557 YRGOONFPVHRIRX-UHFFFAOYSA-N 363.383 4.943 0 1 FJAF CCOc1cc(N(CC)CC)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386808 KZNYKVBTFSKGDB-NRFANRHFSA-N 368.477 4.529 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3ccc(OC)cc13)CC2=O 587480198 CQNQGFRMUBNCBV-JOCHJYFZSA-N 365.429 4.715 0 1 FJAF C[C@@]1(c2c(Cl)ncnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501107 QWHNOBQANUBTJT-SFHVURJKSA-N 363.244 4.543 0 1 FJAF O=C(O)CCC[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533267 VOGLSSISJDBRLJ-NRFANRHFSA-N 370.470 4.743 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c([C@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1 587643285 STBPLRDFQPUSPO-GTNSWQLSSA-N 360.454 4.640 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3n2C)N1 587760389 YGIUWBREGMDXHQ-JEOXALJRSA-N 373.269 4.704 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2ccccn2)N1 587772887 PLZVSPQGPURQRR-KPZWWZAWSA-N 363.274 4.581 0 1 FJAF Clc1ncnc2[nH]c(/C=C\c3ccc(OCc4ccccc4)cc3)nc12 587783445 BIIGACGVJOJPGQ-FLIBITNWSA-N 362.820 4.756 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3sccc32)N1 587856956 JUBZCZOQNZMBKW-DYZYQPBXSA-N 366.299 4.764 0 1 FJAF CCOC(=O)CCC[C@]1(C2CCCC2)N[C@@H]2CC[C@@H]2c2ccc(OC)cc21 962992441 GKBBEBVVIITJEI-KJXAQDMKSA-N 371.521 4.663 0 1 FJAF CC(=O)OC[C@]12C=CCC[C@@H]1[C@](C)(CC[C@@H](C)CC(=O)O)[C@@H](C)CC2 2356593396 IXVLFGNKARRZOI-YXYLECDTSA-N 350.499 4.829 0 1 FJAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@H](C)C(C)C)cc1 774287 YMMPEWLEIPNHMR-OAHLLOKOSA-N 364.445 4.792 0 1 FJAF CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2cccc(Cl)c21 833661 WAUIYPZGHZJRCZ-UHFFFAOYSA-N 355.800 4.690 0 1 FJAF COc1cc(C)c(C)c(OC(=O)c2c(C)c(C)c(OC)c(C)c2OC)c1C 1629863 RTPOSGIWSAXENH-UHFFFAOYSA-N 372.461 4.782 0 1 FJAF biogenic COCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(C(C)C)cc1 2483333 IMDPMWXYHPSTSC-UHFFFAOYSA-N 358.482 4.529 0 1 FJAF Cc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)cc3)c2C)cc1 4173263 HBTLTIZVZUQIRB-UHFFFAOYSA-N 353.853 4.762 0 1 FJAF CSc1cnc2ccccc2c1Sc1c[nH]c2ccccc2c1=O 5503378 NNBZVAAQEUSNMM-UHFFFAOYSA-N 350.468 4.949 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2nc(C)oc2c1 13761438 QROPLSLVTZDBAU-SFHVURJKSA-N 364.489 4.739 0 1 FJAF Cc1ccc(-c2cc3c(N)ncnc3nc2-c2cc3ccccc3o2)cc1 28470982 BTSWCBHWUYKIKO-UHFFFAOYSA-N 352.397 4.996 0 1 FJAF O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1ccc(-c2ccoc2)cc1 28572193 DDCQVFXMHPJCGW-UHFFFAOYSA-N 374.805 4.542 0 1 FJAF CCC[C@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 45340210 SZTSAJHGMRUJJW-HNNXBMFYSA-N 372.900 4.834 0 1 FJAF CCOc1ccc(-c2nc(CNc3cc(C)nn3-c3ccccc3)co2)cc1 72185795 JJVUTFQRWOGLLR-UHFFFAOYSA-N 374.444 4.847 0 1 FJAF O=C(O[C@H](Cn1ccnc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 73199932 NOFNBEJYVZIQOD-QGZVFWFLSA-N 360.335 4.500 0 1 FJAF CCCC[C@H](CC)CNc1nc(NCC)c2cc(OC)c(OC)cc2n1 82137882 GQMWFMDAFJYGJI-AWEZNQCLSA-N 360.502 4.707 0 1 FJAF CCN(C(=O)c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)s1 84602107 RSLJXOVXVLVIOH-UHFFFAOYSA-N 361.829 4.664 0 1 FJAF COc1ccc(OC)c([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)c1 85932308 SZUUCCHCUGGUGG-JZCAMDEDSA-N 372.461 4.806 0 1 FJAF biogenic CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101151813 KQJQPAOCEGFVNJ-QZTJIDSGSA-N 356.491 4.517 0 1 FJAF Cc1nc(NCc2cc(O)ccc2F)cc(-c2ccc3ncsc3c2)n1 141822988 CNJQXQHJDXIELY-UHFFFAOYSA-N 366.421 4.519 0 1 FJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Cl)[nH]c-4n3)c21 587030299 BRKWAWFVHVFPFN-SNVBAGLBSA-N 369.881 4.917 0 1 FJAF C[C@H]1CCc2sc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2C1 587033771 MPANOUPUWXSBHK-NSHDSACASA-N 352.438 4.741 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(Cl)nc2[nH]1 587044485 DOQBUVDPNJNEEB-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587067744 NLCVPYHWDXCERD-LLVKDONJSA-N 355.825 4.549 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(C)nccc4[nH]3)c(F)c2)c(F)c1 587152483 OJWGNRAPHJTKCP-UHFFFAOYSA-N 351.356 4.887 0 1 FJAF Cc1c(Br)cc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1C 587174977 UXRKTGNPXBLESN-OAHLLOKOSA-N 361.214 4.758 0 1 FJAF Fc1cncc(Cl)c1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 587176434 UKRMWEDCGYHUOT-UHFFFAOYSA-N 367.811 4.920 0 1 FJAF CCC[C@H](O)[C@]1(CCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347948 CGRJJBPGJAEADX-ONTIZHBOSA-N 372.436 4.590 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(SC(F)(F)F)cc1)[C@@H](C2)C3=O 587424071 XANBILRPANCNJA-GUYCJALGSA-N 366.360 4.796 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O 587446149 AGRRRXLKWJCYNS-RDPSFJRHSA-N 354.405 4.755 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)F)cn1)CC2=O 587464025 GSWOXSHGXNFWRP-SFHVURJKSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc(OC)c1F)CC2=O 587466789 ODCJLKMOQDIUBN-INIZCTEOSA-N 364.800 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3C)c1)CC2=O 587474199 CLTQTDZPUIZTCL-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](C(F)F)CC2 587557789 TXGAYNPQZOGAPX-GQNMWPQZSA-N 374.383 4.938 0 1 FJAF Cc1cc(C)cc(OCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587564008 DXNMFJFKYXFSGM-UHFFFAOYSA-N 356.425 4.990 0 1 FJAF CC[C@@H]1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587601757 GZYUAJIYAOIYMA-YARHRQRXSA-N 352.430 4.939 0 1 FJAF C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604767 YCLAENGQPCUYEE-OFNKIYASSA-N 360.409 4.745 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnccc23)N1 587776114 BCLZEABADVFINA-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587818952 SYNRYKKFGYRKKT-BLVKFPJESA-N 360.270 4.621 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]3C=C[C@@H]2C3)N1 587820412 PFFSRPRHHRGPBB-HWGYDIEMSA-N 350.275 4.550 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CCc1ccccc1 587862252 JKWPPLMXGCEKFR-UHFFFAOYSA-N 374.362 4.851 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587931262 GJQKRDLHABARGO-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CCc1ccc(CC)n1-c1nc(-c2ccc(F)cc2NC(C)=O)cs1 587944829 JAQXHWIUIPFRRX-UHFFFAOYSA-N 357.454 4.823 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 587952427 QPNXRUNNHMJACN-HIFPTAJRSA-N 372.387 4.539 0 1 FJAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@H](C)c1nnc(C)n1-2 653707855 YUZQVULRBZWKKT-SNVBAGLBSA-N 356.882 4.819 0 1 FJAF CCn1ccc2ccc([C@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc21 962577125 VQDWNVGBYVUMGY-WNSKOXEYSA-N 364.489 4.644 0 1 FJAF COc1cccc2cc3c(nc12)[C@@](C)(Cc1coc2ccccc12)NCC3 963062179 WVNXQICCBKPMSK-HSZRJFAPSA-N 358.441 4.593 0 1 FJAF Cc1cc2c(cc1O)[C@H]([C@@H](C)CC[C@H](C)CC(C)(C)C)N[C@H](C(=O)O)C2 963547265 AWHXQOFWXQZECW-OACKDKIBSA-N 361.526 4.829 0 1 FJAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](O)[C@](C)(OC)CC1 1857654961 IXTZSRZHCVQVPJ-IFMALSPDSA-N 360.494 4.609 0 1 FJAF CC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1cccc(F)c1 1857765145 LCOWDWCINOKPSD-UHFFFAOYSA-N 374.460 4.531 0 1 FJAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC[C@]45C[C@]4(C)CC[C@H](O)[C@H]35)C2)O1 2356562419 SKELSLCGYZIGFV-OECAMCHCSA-N 362.554 4.912 0 1 FJAF CCN(C(=O)[C@@H](C1CC1)[C@@H](O)c1ccc2ccccc2c1)c1ccccc1 203466871 GZNQELLAMFSZMJ-GOTSBHOMSA-N 359.469 4.953 0 3 FJAF O=C(c1ccc(Cl)cc1Cl)[C@](F)(Cn1ccnc1)c1ccccc1 26397150 LBVLHISBHLBXGG-SFHVURJKSA-N 363.219 4.938 0 1 FJAF CC(C)(C)c1cc(Sc2nnc(NC#N)s2)cc(C(C)(C)C)c1O 26716201 RWYDEIXAYCULGB-UHFFFAOYSA-N 362.524 4.883 0 1 FJAF CCC(=O)[C@@H](c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1 27871660 SUFXNGJEXXOXCL-DEOSSOPVSA-N 365.517 4.713 0 1 FJAF Cc1ccccc1Oc1nc(Nc2ccc(Cl)cc2)c(=O)n(C)c1C 28107702 YDSAFRJBCCKYRA-UHFFFAOYSA-N 355.825 4.586 0 1 FJAF CCN(CC)c1ccc(NC(=O)[C@]2(C)CCc3cccc(OC)c3C2)cc1 28346500 JZTSBKMDBFJSAS-HSZRJFAPSA-N 366.505 4.675 0 1 FJAF C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 29335444 HRDNTAOYDUQZEY-MEDUHNTESA-N 364.674 4.903 0 1 FJAF Fc1ccc(-c2[nH]c3cc(N4CCOCC4)ccc3c2-c2ccncc2)cc1 40952434 CSXQIVPDKYFOKY-UHFFFAOYSA-N 373.431 4.873 0 1 FJAF COc1ccc(OC)c(-c2cc(N[C@@H]3C[C@H](C)CC(C)(C)C3)ncn2)c1 82162344 OHKHEADTDAWDIX-LSDHHAIUSA-N 355.482 4.788 0 1 FJAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(Cl)cc1)S3 98084404 AAXFPXMORXYEPO-UHFFFAOYSA-N 368.849 4.805 0 1 FJAF COc1ccc2c(c1/C=C\C(C)(C)OC)O[C@H](c1ccccc1)CC2=O 238788819 VGCABPVIACQUCY-CBUFDYBVSA-N 352.430 4.840 0 1 FJAF Cc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586978019 WXTUSCKQYITNJS-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c4c(ccc3[nH]2)CCCC4)s1 587023413 PJDZQRLJBBRJKB-UHFFFAOYSA-N 370.478 4.912 0 1 FJAF Fc1c(F)c(F)c(/C=C\c2nc3cnc4ccccc4c3[nH]2)c(F)c1F 587135392 YYGXJSDJASLQTD-WAYWQWQTSA-N 361.273 4.977 0 1 FJAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)O1 587353824 NPDKFUPPCMFREX-XMSQKQJNSA-N 370.420 4.607 0 1 FJAF Cc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587412092 HCSNHKAMXAIKIP-GOSISDBHSA-N 350.443 4.716 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(CCCCF)c1F)[C@@H](C2)C3=O 587422001 BORDSGFHVFKTNB-JTSKRJEESA-N 372.411 4.789 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1c(F)cccc1Cl)[C@@H](C2)C3=O 587422311 CYBZJJPPVQNIHD-RXDHQFPFSA-N 372.823 4.798 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccncc1)CC2=O 587488785 JWGNOFDNJSMYME-DEOSSOPVSA-N 373.452 4.843 0 1 FJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587517112 HDSFRZLREYMBQS-DEOSSOPVSA-N 372.468 4.940 0 1 FJAF Cc1cccc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603454 OSMUAZXGCLNWQS-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF Cc1cc(C)cc(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603871 RZVQWLLJQKLEPZ-NHCUHLMSSA-N 360.409 4.582 0 1 FJAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2cccc(F)c12 587632842 SBSMYZXJZTZBDH-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF Cc1cccc(CNc2ccc(-c3nc4ncccc4o3)cc2Cl)n1 1772622032 KHNYJRFIIFNXOA-UHFFFAOYSA-N 350.809 4.859 0 1 FJAF CCCCCc1cc2c(c3c1[C@H](C)O[C@H](C)O3)[C@H]1CCC(=O)N1[C@@H](C)O2 2356322566 PIOPAXQEDVOKMS-KNCOVGOOSA-N 359.466 4.637 0 1 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc2c(c1)OCO2 603495 BQKBSFBYNPVKJJ-UHFFFAOYSA-N 364.401 4.699 0 1 FJAF CC(=O)N(Cc1cccnc1)c1ccc(-c2nc3ccccc3s2)cc1 1004312 UGXFQEUACCBNIG-UHFFFAOYSA-N 359.454 4.911 0 1 FJAF COc1ccccc1Nc1ncc(C(=O)NCc2ccco2)c2ccccc12 4760824 FEPYCHSVLULYGT-UHFFFAOYSA-N 373.412 4.510 0 1 FJAF O=C1Nc2ccc(Cl)c3c2[C@](C(F)(F)F)(C=C(c2ccccc2)O3)N1 6579080 KATCODFDTXUMKD-INIZCTEOSA-N 366.726 4.666 0 1 FJAF COc1ccc(-c2cnc3c(-c4cccc5cccnc45)cnn3c2)cc1 40875225 VEMKUBYCNHVURY-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF CCCCCN1CCC(COc2nc3sccc3n3cccc23)CC1 40897039 MAYTXUYJEQILBI-UHFFFAOYSA-N 357.523 4.830 0 1 FJAF CC(C)(C(=O)N1CC[C@H](c2c[nH]c3ncccc23)C1)c1ccc(Cl)cc1 43205052 VGKMTBSSNGZXKS-AWEZNQCLSA-N 367.880 4.510 0 1 FJAF CN1[C@H]2CC[C@@H]1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 68267986 QWGVIOYTQRTWPO-XWTMOSNGSA-N 359.876 4.553 0 1 FJAF O=C1C[C@H](c2ccccc2Cl)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929566 QXQUNBGYCUXRRG-PWRODBHTSA-N 368.908 4.714 0 1 FJAF CCOC(=O)c1[nH]cc2nc3ccc(OCc4ccccc4)cc3c-2c1CC 100652878 IKXSFQFVTQDDAR-UHFFFAOYSA-N 374.440 4.986 0 1 FJAF CC(C)NC(=N)c1c(O)nsc1Nc1ccc(Oc2ccccc2)cc1 101101201 OWDPKTXHDSZYEV-UHFFFAOYSA-N 368.462 4.708 0 1 FJAF CC(=O)N1N=C(c2ccc(-c3ccc(Cl)cc3)o2)O[C@H]1c1ccccc1 103210267 GIXXVOSWEFBQJS-FQEVSTJZSA-N 366.804 4.839 0 1 FJAF O=C(NC1CCCC1)c1ccc2c(ccn2Cc2ccc(F)cc2F)c1 198390779 LDTQNSGLVBQVKQ-UHFFFAOYSA-N 354.400 4.640 0 1 FJAF Cc1cccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c12 586998851 QGWAUCPFHOXAEC-WAYWQWQTSA-N 357.207 4.533 0 1 FJAF COc1cc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2cc1OC 587012926 NWKIEFLXMVJBJN-UHFFFAOYSA-N 365.458 4.987 0 1 FJAF Cc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2n1 587109255 DRAKXLZULHSAJS-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587183728 HRRFPXQNMRSVTA-VURMDHGXSA-N 360.198 4.646 0 1 FJAF CCO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351134 GCBYGMQNTGSMSN-SJBKTWHCSA-N 370.420 4.608 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587446600 ZUCJCPILZTZMJJ-FAHJTYSBSA-N 364.485 4.988 0 1 FJAF O=C1C[C@H](c2ccc(-n3cccn3)c(F)c2)Oc2c1ccc1c2CCCC1 587504450 JVAPEYCBDONJEL-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1 587587345 NVZNBCRYYODJFO-NFBKMPQASA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12C1CCCC2CCC1 587602307 HRQDYIPFPBEXGS-NQRRGCNPSA-N 350.414 4.693 0 1 FJAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603991 TUHOTLWSXDOZKU-XXULJNORSA-N 350.414 4.715 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2F)N1 587714392 FJHBKIXDTLAFSJ-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF Cc1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781116 PRIMFWDQJGZCGE-VMPITWQZSA-N 357.251 4.864 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S)cc2)N1 587844344 NDDLAAMZJMQEBI-BMLIUANNSA-N 366.299 4.675 0 1 FJAF CC[C@@]1(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)CC(=O)c2ccccc2C1 587959909 ITQBONLSNUBHEO-IBGZPJMESA-N 373.378 4.745 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccccc3)nn2C)N1 962947517 NRTFLPUDQKCISH-WAIKUNEKSA-N 356.473 4.582 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1 962954965 LSGQNFMHQMLBML-QRQCRPRQSA-N 371.525 4.564 0 1 FJAF COc1ccc2c(c1)[C@](CCc1cccc(F)c1)(C1CC1)N[C@H]1CC[C@@H]21 962997673 RSZOPDKKAFSBGD-PMVMPFDFSA-N 351.465 4.922 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cc(OC(F)(F)F)ccc1F 963114686 WDYYWTRCQHQCPO-SCLBCKFNSA-N 369.333 4.973 0 1 FJAF COc1cc(OC)cc(-c2ccc(-c3ccc(C(=N)N)c(F)c3)s2)c1 1772605448 FZKJTTHADWDHTQ-UHFFFAOYSA-N 356.422 4.522 0 1 FJAF CCOc1ccccc1CNC(=O)c1c2c(c(Cl)n1C)CC(C)(C)CC2 1857638774 MSZMVEAFXGQFLC-UHFFFAOYSA-N 374.912 4.522 0 1 FJAF Brc1ccc2[nH]c(-c3cncn3Cc3ccccc3)cc2c1 1857747682 IZXYWGNIIIWKDO-UHFFFAOYSA-N 352.235 4.842 0 1 FJAF Oc1cccc(CNc2ccc(Cl)cc2NCc2cccc(O)c2)c1 2382218047 JQHNBFLZKQCSAA-UHFFFAOYSA-N 354.837 4.975 0 1 FJAF C#CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947066 POXPTICCDZYJNK-PJIZGREPSA-N 368.542 4.744 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34212572 RPIWNKCKNAVMOS-UQAQYKANSA-N 359.554 4.739 0 1 FJAF CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CCC(=O)O 34961926 BOFBVWROGCPAFH-LDOXQWQISA-N 358.478 4.507 0 1 FJAF in-vitro CN1N=C(c2ccc(Cl)cc2)[C@@H](n2ccnc2)[C@H]1c1ccc(Cl)cc1 40874570 UEEXZFQTYOFEMK-RTBURBONSA-N 371.271 4.822 0 1 FJAF Cn1c2ccccc2n2cc(-c3ccc(I)cc3)cc12 68586027 XSQDKZAYYFGZKK-UHFFFAOYSA-N 372.209 4.703 0 1 FJAF biogenic COC[C@H]1Cc2c(n(Cc3ccccc3)c3ccccc23)[C@@H]2CCCCN21 73198979 KRKQCUJQNIHMQM-XXBNENTESA-N 360.501 4.788 0 1 FJAF O=C(CCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2)c1ccco1 100758139 HMWCSFUVGFNRSK-RDTXWAMCSA-N 352.409 4.625 0 1 FJAF Nc1c2c(nc3c1[C@H](c1ccc(F)cc1)c1ccc(O)cc1O3)CCCC2 103268675 VCRJSIMUGXIVMK-LJQANCHMSA-N 362.404 4.673 0 1 FJAF Nc1ccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)cc1 148280175 LFAJKDIAHPIKQU-UHFFFAOYSA-N 355.401 4.657 0 1 FJAF CCC(C)(C)c1ccc(-c2nc3cc(OCCN(C)C)ccc3[nH]2)cc1 586882119 UJRGLEWKEZBIKL-UHFFFAOYSA-N 351.494 4.858 0 1 FJAF O=C(O)c1nc2ccc(O)c3c2c(c1C1CCCCC1)-c1ccccc1C3=O 586990926 OFNMLQMZPTZORN-UHFFFAOYSA-N 373.408 4.898 0 1 FJAF Brc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587016686 BJLIFYGOIIURIJ-UHFFFAOYSA-N 360.236 4.633 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(Br)nc2[nH]1 587061928 LOYGLKLSUZHPNC-NSHDSACASA-N 366.646 4.904 0 1 FJAF COc1cc(Cl)ccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587066869 URKSBXYULWAIOU-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1C 587075947 OXVGVJBTEGOIDE-UHFFFAOYSA-N 352.825 4.694 0 1 FJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cc(F)c2[nH]1 587080527 PZDDZBLLXUFBSA-CYBMUJFWSA-N 363.223 4.733 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc(Br)c(F)cc3F)nc12 587137811 MMXFPPMLRLDEME-UHFFFAOYSA-N 358.573 4.627 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc(C)cnc4[nH]3)c(F)c2)c(F)c1 587152522 OZRGWLYNSADPSQ-UHFFFAOYSA-N 351.356 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccnc3ccc(OC)cc13)CC2=O 587486082 ACMDDPZNYGNYHZ-NRFANRHFSA-N 363.413 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(OCC)c13)CC2=O 587487195 UVVACDIFXRAABN-HXUWFJFHSA-N 365.429 4.931 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc3ccsc3c1)CC2=O 587496025 RCQZAPRBDFDWAM-FQEVSTJZSA-N 353.443 4.835 0 1 FJAF O=C1C[C@H](c2cccc3c2OC(F)(F)O3)Oc2c1ccc1c2CCCC1 587503378 GRHQUVDKYLVOPJ-QGZVFWFLSA-N 358.340 4.593 0 1 FJAF CC(C)(C)SC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606026 FVJQZAWFFZDBKG-OXJNMPFZSA-N 358.459 4.644 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnccc3c2)N1 587777951 KCEUTOQRYQXCCA-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809334 ACVMWVIVPOMSOJ-ORAYPTAESA-N 362.286 4.889 0 1 FJAF CCc1nc2c(s1)[C@@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962702507 AIUBWOVMEJXSIR-HXUWFJFHSA-N 370.543 4.998 0 1 FJAF Fc1cccc2c1CC[C@@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722089 YIIVHAQPTIHCJR-OPAMFIHVSA-N 371.496 4.713 0 1 FJAF Fc1cccc2c1[C@H](c1ccn(CC3CCCCC3)n1)N1CCC[C@@H]1C2 963099500 AHYGLQOGRRZNTG-GCJKJVERSA-N 353.485 4.712 0 1 FJAF COc1ccc2c(c1)[nH]c1c(N3CCC[C@H]3Cc3ccccc3)nccc12 1857758207 IXAKWBUXXOLWDC-KRWDZBQOSA-N 357.457 4.936 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC[C@H](C)[C@@H](O)CC=C(C)C 2356433460 JZVYLXIIJTXKCL-UGKGYDQZSA-N 366.542 4.718 0 1 FJAF C[C@H](NCc1cccc(Cl)c1)c1onc(-c2ccc(F)cc2)c1C(=O)O 2356471899 DYKBKXCPWWFAFW-NSHDSACASA-N 374.799 4.683 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncnc1 3816573 XMXLTCQVKKQCBG-RFOVXIPZSA-N 350.506 4.794 0 1 FJAF CS(=O)(=O)c1ccc(-c2ccccc2-c2ccc3ccccc3n2)cc1 28005530 PWUVWNMHFZHZRJ-UHFFFAOYSA-N 359.450 4.972 0 1 FJAF Cc1ccc(-n2nc(-c3ccccc3)c3c(=O)n(C)c4ccccc4c32)cc1 29463194 OCKXCCCHLRJKFX-UHFFFAOYSA-N 365.436 4.853 0 1 FJAF COc1ccccc1NC(=O)N[C@H]1CC(C)(C)Oc2ccc(Cl)cc21 38248942 HMCGKYFKVRURFE-HNNXBMFYSA-N 360.841 4.773 0 1 FJAF CCCCC(CCCC)N1N=C(C2=C[C@@H]3C=CC=C[C@@H]3C=C2)OCC1=O 40414033 NBSKTVFQBIYZTC-MSOLQXFVSA-N 354.494 4.762 0 1 FJAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncnc1 58666121 XMXLTCQVKKQCBG-AMBWZAQTSA-N 350.506 4.794 0 1 FJAF CC(C)(C)c1cc2cc(Nc3nccc(-c4cc(CO)ccn4)n3)ccc2[nH]1 169703391 CEDSENRNRFBYNU-UHFFFAOYSA-N 373.460 4.553 0 1 FJAF Oc1nc2sccc2c(N2CCCCC2)c1-c1nc2ccccc2[nH]1 299823132 DIGSLJLGYILPLQ-UHFFFAOYSA-N 350.447 4.536 0 1 FJAF COc1cc(-c2nc3cncc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587044613 IMZGHTOVKUSAKA-UHFFFAOYSA-N 366.248 4.975 0 1 FJAF Fc1cnc(Br)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc12 587087619 MJLHIEHAQGBFLI-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1 587089161 YOJBZPNDCVRJTI-HNNXBMFYSA-N 367.399 4.544 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)c(C)c1)O2 587376570 JJFYJVDXUSWOHL-SFHVURJKSA-N 360.251 4.529 0 1 FJAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615994 YIITVTGFWCIJRV-WIYYLYMNSA-N 366.438 4.893 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Cl)c2)N1 587705844 ZRKIXLZDAYSNIF-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587717441 GAAUBPRPYRKQNC-YYSFKGJASA-N 366.249 4.968 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2[C@@H]2CCC[C@@H]32)N1 587825758 FDQZCMPVHSLPNA-YUGVAPBOSA-N 364.302 4.774 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Cl)N1 587844598 OMADKOOKNUHPOS-UHLUBPPHSA-N 360.679 4.927 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587845027 QFPCIEJBROICRP-ZKANADHPSA-N 354.288 4.890 0 1 FJAF COc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1OC 587928247 ZPESVPVQFJAVQL-UHFFFAOYSA-N 368.380 4.783 0 1 FJAF Cc1cc2c(cc1F)[C@@](c1cc3ccccc3nc1N)(C(C)(C)C)NCC2 962094948 USKWTJFIZNIBKH-HSZRJFAPSA-N 363.480 4.700 0 1 FJAF COc1cccc2cc3c(nc12)[C@@H](c1ccc(Cl)c2[nH]ccc12)NCC3 963049970 XGAZXUGESXUKLL-OAQYLSRUSA-N 363.848 4.613 0 1 FJAF Cc1cc(C)c([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1C=O 963102859 NQBYOAJFVJALKC-CVDCTZTESA-N 351.465 4.847 0 1 FJAF CCC[C@]1(c2ccc(Cl)cc2Cl)NCCc2c(C(=O)O)cccc21 963127113 ZGPKGTRQFAAYCU-IBGZPJMESA-N 364.272 4.881 0 1 FJAF CCN(Cc1ccccc1OC)C(=O)Cn1c2ccccc2c2ccccc21 1857542426 LHMJAFKMVLWMFN-UHFFFAOYSA-N 372.468 4.852 0 1 FJAF Cc1cc(C(=O)Nc2nnc(C3CCCCC3)o2)cc(C(F)(F)F)c1 1857586524 YBSIYTVIFLVNBU-UHFFFAOYSA-N 353.344 4.697 0 1 FJAF COc1cc2c(cc1O)[C@]1(C)[C@H](CC2)Cc2c(ccc(OC)c2OC)[C@@H]1C 2356328755 FUPJEWGULFOIHV-WXQIDZRNSA-N 368.473 4.598 0 1 FJAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1 61906172 PJEBDTPUHJXINY-QFIPXVFZSA-N 373.481 4.758 0 3 FJAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccc(C)cc3)n2c1 95569771 SZXAGUHUWXBSAD-UHFFFAOYSA-N 370.452 4.996 0 3 FJAF CCO[C@@H]1CCCc2oc(-c3ccsc3)c(-c3cnc(OC)nc3)c21 95605760 OHWZTKNRLLJYAY-CQSZACIVSA-N 356.447 4.888 0 3 FJAF CCCCc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1 13492152 ZLNXZVHHZQPIEK-UHFFFAOYSA-N 359.429 4.589 0 1 FJAF O=C1[C@H]2[C@H]3CCCC[C@@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 17192349 YQDIZAHKTNEAGG-SNHGZMDHSA-N 370.452 4.729 0 1 FJAF CCCC[C@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525145 ZBRSPXQWNWUBRN-FQEVSTJZSA-N 369.461 4.507 0 1 FJAF COc1ccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)cc1 28771482 FLKQFRKNGNJBNP-UHFFFAOYSA-N 361.517 4.553 0 1 FJAF CC(C)(C)c1cccc2c1OCC[C@H]2NC(=O)Nc1cccc2[nH]ncc12 35876831 FGVFFUSBPJFGCF-QGZVFWFLSA-N 364.449 4.506 0 1 FJAF CCCC[C@@H]1C[C@H]1[C@H](NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1 38179210 ZMSDHYXFUJUMDA-NJDAHSKKSA-N 365.473 4.771 0 1 FJAF CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 45348374 QABUURICQJOWID-INIZCTEOSA-N 358.873 4.587 0 1 FJAF in-vivo O=C(N[C@@H]1C[C@H]1c1ccccc1)c1cc(-c2ccco2)nc2ccccc12 66167245 ZPJUZYYHFGSZOA-FXAWDEMLSA-N 354.409 4.781 0 1 FJAF Clc1ccc([C@]23CCNC[C@@]2(Cn2cc4ccccc4n2)C3)cc1Cl 72113629 HRCVSENKVJEEJB-WOJBJXKFSA-N 372.299 4.665 0 1 FJAF COc1ccc(Cl)cc1-c1cc(NCc2cc(F)cc(F)c2)ncn1 82160906 HWSPHEQZTXCCKC-UHFFFAOYSA-N 361.779 4.696 0 1 FJAF COc1ccc([C@@H]2CC(=O)[C@H]3Sc4cc(F)ccc4N=C3C2)cc1OC 169715440 LFGRCLMOFIJXRX-YUNKPMOVSA-N 371.433 4.536 0 1 FJAF Cc1nc2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2cc1Br 587152360 MELYBRQDVFMOEZ-UWVGGRQHSA-N 364.193 4.578 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(N3CCCC3)c1)CC2=O 587475970 RQKMIEASZMGLMV-OAQYLSRUSA-N 351.446 4.651 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC3)N1 587814668 HWRCVHWXYJSGEX-FKIZINRSSA-N 374.297 4.875 0 1 FJAF Cc1cc(O)cc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587833182 MCYOOOWUGGGRFL-VOJFVSQTSA-N 364.258 4.534 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(Cl)cs2)N1 587850139 XJCVILXUBVMGNV-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF CCc1cccc(C)c1-n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868239 JHKJCEPZGAJRMI-UHFFFAOYSA-N 361.367 4.833 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3c(C(=O)O)cc(F)cc3[nH]2)cc1 587933445 XSIBMERMGGOMMK-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF Cn1cncc1CCCO[C@H](c1ccccc1)c1nc2ccccc2s1 1772653177 KBYBHOLQXQPBPK-HXUWFJFHSA-N 363.486 4.769 0 1 FJAF C[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1CCC1 1857650905 MIDSARJETKTAIC-GFCCVEGCSA-N 370.859 4.610 0 1 FJAF CCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1 3814556 HNZGGCXVUAIRRY-UHFFFAOYSA-N 361.463 4.582 0 1 FJAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(C=Cc3ccccc32)CC1 13728396 DUODZCMEHSVISH-UHFFFAOYSA-N 362.517 4.581 0 1 FJAF COc1cccc2c1CCC[C@@H]2CCCN1CCN(c2ccccc2)CC1 13740693 JGCUFOXBUYJGBX-HXUWFJFHSA-N 364.533 4.718 0 1 FJAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(C4CC4)cc3)c2=O)cc1 66122944 HPTGCJTXJCOTKX-UHFFFAOYSA-N 368.820 4.564 0 1 FJAF CN(CCc1ccccc1)C(=O)c1cc(-c2ccco2)nc2ccccc12 66166177 BWLIALWMOKWKBY-UHFFFAOYSA-N 356.425 4.810 0 1 FJAF Nc1cncc(-c2ccc3noc(-c4ccc(C(F)(F)F)cc4)c3c2)n1 84653341 LNGSRZSOKXVVCC-UHFFFAOYSA-N 356.307 4.553 0 1 FJAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101098571 CLWMKYAGZBNMTM-SAABIXHNSA-N 362.832 4.991 0 1 FJAF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196432 DFKIJXWNTLHILO-GOSISDBHSA-N 372.902 4.956 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(Cl)cc1 103953503 ANIDDRBULOYSCI-ZDUSSCGKSA-N 373.865 4.772 0 1 FJAF CCCn1ccc2c(N(Cl)Cc3cccc(OC)c3)cccc2c1=O 169329920 ASOMIBIVSUWZCJ-UHFFFAOYSA-N 356.853 4.581 0 1 FJAF CCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC[C@H](O)CO 169359623 JKWIKAYVEWEMLW-GUPLVDHOSA-N 364.526 4.638 0 1 FJAF COc1cc(/C=C/c2cccc(F)c2)c(C(=O)O)c(O)c1CC=C(C)C 473089091 QUWBPUXZKXOCQM-CMDGGOBGSA-N 356.393 4.917 0 1 FJAF CCCC(Br)(CCC)c1nc2ccc(C(=O)OCC)cc2[nH]1 586970538 GGUWCSQETOVSNY-UHFFFAOYSA-N 367.287 4.930 0 1 FJAF COc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cc1Cl 587020727 APSIIGXVLAUYIF-UHFFFAOYSA-N 355.850 4.939 0 1 FJAF CC(C)Oc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br 587021243 GZCAAOOCLNWCCV-UHFFFAOYSA-N 372.675 4.890 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587028624 XPAMZQQJRUAGRH-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF Oc1ncnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587047568 LELBLXLQDZQVTR-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587087725 FVHYWODWOYNAAO-ZETCQYMHSA-N 365.733 4.985 0 1 FJAF OCc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587129660 YZTNZXFFRKLDEY-UHFFFAOYSA-N 357.385 4.783 0 1 FJAF Oc1c(F)cc(F)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587134093 LMNQLRMIDIJYDX-UHFFFAOYSA-N 352.340 4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)ccc(Cl)c31)O2 587380027 OETCIRMRNUIOOX-GOSISDBHSA-N 364.228 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccc(F)c3)no1)CC2=O 587465870 HPFDKOHYYQEPSA-LJQANCHMSA-N 367.376 4.845 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1-n1cccn1)CC2=O 587481034 XLTMBNHZUKPRAE-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3ccc(OC)cc31)CC2=O 587497327 VOKFUOYTSYOSEK-NRFANRHFSA-N 370.470 4.710 0 1 FJAF Cc1cccc(OCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1C 587564173 MAWCWXDQGZJCNR-UHFFFAOYSA-N 356.425 4.990 0 1 FJAF Cc1cc2c(cc1C)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587817169 IYNZNPNJCHBTLQ-XCLFUZPHSA-N 374.297 4.929 0 1 FJAF Cc1sc2c(c1C)CCN[C@H]2c1cc2c(C(F)(F)F)nn(C)c2s1 963004104 AGWUXYSZZMAEHZ-LBPRGKRZSA-N 371.453 4.567 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)CCc1ccc(O)c(OC)c1 963237636 YPQRGRJWFARCPN-GAJHUEQPSA-N 353.506 4.905 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@H]2c1cncc(-c2ccccc2)c1 963272308 ZMXVVZIRYMQKGO-NRFANRHFSA-N 350.849 4.646 0 1 FJAF CC(C)=CC/C=C(\C)[C@H](O)Cc1cc(C(=O)O)cc(CC=C(C)C)c1O 1857588422 KOCDZAFJFZUDLN-MOWFPQLSSA-N 358.478 4.805 0 1 FJAF CCCCN1CCC(COC(=O)c2cc(C3CC3)nc3ccccc23)CC1 1857653563 XSSOEDGADWRZHS-UHFFFAOYSA-N 366.505 4.781 0 1 FJAF Clc1ccc(CNc2nccc(-c3ccc4cn[nH]c4c3)n2)cc1Cl 95755476 DKKAPUBGRWMMGK-UHFFFAOYSA-N 370.243 4.939 0 3 FJAF COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1-c1cnco1 13818710 NQAZUDBPNUTMBJ-RUDMXATFSA-N 354.793 4.656 0 1 FJAF CC(=O)O[C@@H]1O[C@H]2OC(=O)[C@H](C)c3c([C@@]4(C)CCCC(C)(C)C4)ccc1c32 14918858 AQSIHMBSEUHXNO-JTENTZBDSA-N 372.461 4.795 0 1 FJAF COc1ccc2c(Sc3ccc(C(=O)O)cc3)c3ccoc3nc2c1 29044155 ZUBPEHURRONPMD-UHFFFAOYSA-N 351.383 4.839 0 1 FJAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CC(C)(C)CC(=O)[C@@H]21 40393297 OGPGSYNCKSLJOF-JSQNDZKTSA-N 368.951 4.949 0 1 FJAF O=C(COc1ccccc1)N1CCS[C@@H]1c1ccc(Cl)c(Cl)c1 40575923 LBFQMXBQOZLNNR-QGZVFWFLSA-N 368.285 4.646 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152332 NNUZSHSDIMQZLW-GJZGRUSLSA-N 362.520 4.578 0 1 FJAF CC(C)Oc1cc(-n2c(=S)n3n(c2=S)CCCC3)c(F)cc1Cl 103280821 YGQJJXAZTDQWBV-UHFFFAOYSA-N 373.906 4.913 0 1 FJAF O=C(c1ccc(Oc2ncccc2Cl)cc1)c1nc2ccc(F)cc2[nH]1 139309231 DNUCUFFRFWLSPW-UHFFFAOYSA-N 367.767 4.774 0 1 FJAF C/C=C(\C)C(=O)O[C@H]1CC[C@H]2Cc3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C 238771301 LJMVPNYZXHUHTL-CJOPROEKSA-N 374.477 4.679 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Cl)cc(Br)c3[nH]1)C2 586884840 JJPWALHYGWTZGD-LPEHRKFASA-N 365.658 4.618 0 1 FJAF Cc1c(F)ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c12 586916270 XIOKFAITCMQIJD-UHFFFAOYSA-N 362.360 4.779 0 1 FJAF COC(=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015970 LPYAPDRYFBYSKM-UHFFFAOYSA-N 369.833 4.793 0 1 FJAF Cc1ncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587096820 KZIQRGISXBVMJJ-UHFFFAOYSA-N 351.409 4.828 0 1 FJAF Fc1ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc2c1Br 587131123 YQTFDOSIDMIYIC-UHFFFAOYSA-N 357.129 4.733 0 1 FJAF COc1cc2nc(-c3cc(F)c(C)cc3Br)[nH]c2cc1F 587137933 SQXXRCHFFNBAIJ-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF Cc1ccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587146860 YTIVNIAETHWFEK-SNAWJCMRSA-N 366.621 4.992 0 1 FJAF O=C(CCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1)c1ccc(F)cc1 587162313 JAMBSCQUXOMKSQ-UHFFFAOYSA-N 372.399 4.749 0 1 FJAF Cc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cc(-c2ccc(F)cc2)n1C 587166405 RSKUNDBKUXJLPH-UHFFFAOYSA-N 358.779 4.870 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cc(Cl)cc1F)CC2=O 587464797 ACTJXMKBEKOHFT-MRXNPFEDSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(C=O)o3)o1)CC2=O 587486037 WMMKKYBRJLCJFI-FQEVSTJZSA-N 366.369 4.717 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccsc1Br)CC2=O 587494620 MQJVTUCSFWIZLH-CQSZACIVSA-N 367.264 4.875 0 1 FJAF C[C@@]1(c2nc3ccc(Cl)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587499877 NOKFRKJGAZNHLD-NRFANRHFSA-N 366.848 4.976 0 1 FJAF C[C@]1(c2ccc3c(c2)OC(F)(F)O3)CC(=O)c2ccc3c(c2O1)CCCC3 587501357 BGZBQYXIDGATQW-HXUWFJFHSA-N 372.367 4.768 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556600 XUSWVINHDMFHPC-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587720923 UFGAJYMTTPISBP-HUTHGQBESA-N 370.212 4.798 0 1 FJAF CC[C@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847583 LOOGIWKAODGAHU-MGPLVRAMSA-N 354.288 4.838 0 1 FJAF O=C(Cc1ccc(Br)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587872939 SZUAMOCVLFBNNK-UHFFFAOYSA-N 373.181 4.440 0 1 FJAF CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3cc(F)ccc3F)cs2)C1 587921941 DBAXQXWCYSXZCE-LLVKDONJSA-N 366.433 4.813 0 1 FJAF COc1ccc(CCCc2nc3ccc4c(c3[nH]2)CCCC4)cc1OC 587925222 KBZAHBMHBHZGTQ-UHFFFAOYSA-N 350.462 4.634 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1ccc(C(C)(F)F)cc1)N(C)[C@@H](C)C2 962571164 OQCWHFILDLSBBC-ORAYPTAESA-N 361.432 4.781 0 1 FJAF CCn1ccc2ccc([C@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc21 962577117 VQDWNVGBYVUMGY-CMJOXMDJSA-N 364.489 4.644 0 1 FJAF COc1ccc(CC[C@@]2(C3CCCC3)NCCc3ccc(O)cc32)cc1 963327876 AYDGKGHXSJYQBS-QHCPKHFHSA-N 351.490 4.565 0 1 FJAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)C=C[C@@H](C(C)C)[C@@]2(O)CC1 2356643725 CSTQRRVKUOEJIE-WMIMKTLMSA-N 366.501 4.931 0 1 FJAF Cc1cnc(NC(=O)N2CCC(Nc3ccc(Cl)c(C)c3)CC2)s1 2382246158 IVSZSDKCNUWCHO-UHFFFAOYSA-N 364.902 4.522 0 1 FJAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)C1(c2ccccc2)CCCCC1 13734053 QMNHUHKQSGXSPA-WOJBJXKFSA-N 356.554 4.658 0 1 FJAF O=C([C@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]2CCCC[C@@H]21)N1CCCCC1 14950434 XILCCXRIHYUMKY-ITBLURSFSA-N 367.489 4.504 0 1 FJAF COc1cc(/C=C\Cc2cc(O)c3sccc3c2)cc(OC)c1OC 40564902 VVTHGRNRTJDBEW-XQRVVYSFSA-N 356.443 4.889 0 1 FJAF Fc1ccc(F)c(CNc2cc(Oc3cccc4cccnc34)ncn2)c1 82067568 LQQGYRQKHYKBML-UHFFFAOYSA-N 364.355 4.707 0 1 FJAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc(C(C)(C)C)cs2)C1 103181084 SYMQKVNXGMLZBF-UHFFFAOYSA-N 354.519 4.992 0 1 FJAF Cc1cccc([C@H](CCCO)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103273535 WZYVRCUXUXNBQK-QHCPKHFHSA-N 374.484 4.860 0 1 FJAF O=C(Nc1cc(Cl)ccc1C1CCCCC1)c1cnn2cccnc12 113654791 AHKPYOXKVWRLJG-UHFFFAOYSA-N 354.841 4.683 0 1 FJAF COC(=O)/C1=C/CC[C@]2(C)O[C@H]2CC/C(C)=C/C=C(/C(C)(C)OC)CC1 141245122 QBAHATLPNPAHMV-WLGSBYHKSA-N 362.510 4.895 0 1 FJAF CC(C)Nc1c(-c2c(F)cc(F)cc2F)c(Cl)nc2nccnc12 142821373 PKUFMJYSXDHVPK-UHFFFAOYSA-N 352.747 4.583 0 1 FJAF C[C@@H](c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 146103866 AGTHEFVFFLUTGJ-KRWDZBQOSA-N 364.533 4.877 0 1 FJAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 169351143 CBNNPWOODQAMIN-BRCDRHTASA-N 371.527 4.516 0 1 FJAF CCc1ccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1Br 586978250 YHWPASXXLIGWSZ-UHFFFAOYSA-N 355.157 4.972 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1F)[C@@H](C2)C3=O 587428136 XAUULECHQALXML-FDDCHVKYSA-N 360.384 4.526 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)ccc1OC)[C@@H](C2)C3=O 587444045 RJAPGKSRYUARRQ-YADARESESA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(Cl)cc(F)cc31)CC2=O 587472808 VIYYXQIEXAPEBV-HXUWFJFHSA-N 360.812 4.944 0 1 FJAF COc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524622 KXPYNEBTETVBFW-NRFANRHFSA-N 374.440 4.671 0 1 FJAF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3cc(F)ccc23)c1 587636075 YYCTUUSJDINEBK-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF Cc1c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc(F)c1F 587721020 VFPYQNSXHIUHKF-RBHXEPJQSA-N 370.212 4.798 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724918 MLDZJIKLNSJLOD-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF CCOc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587803535 WZKRHAMTVVMDGS-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF COc1cc(C)c(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945358 MUJXVLBPBWLTPD-UHFFFAOYSA-N 353.393 4.920 0 1 FJAF CC(C)(C)OC(=O)c1cccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963101965 JRZYTIZFWRXQPH-RXVVDRJESA-N 367.464 4.891 0 1 FJAF COC1CCN(Cc2cc(-c3ccc(C(C)C)cc3)n(C(C)C)n2)CC1 1857609664 HOADITWJZMTJGV-UHFFFAOYSA-N 355.526 4.865 0 1 FJAF CCc1sc(-c2ccc(Cl)cc2)nc1OCCCN1CCCC1 1857651242 DOTCTZFHZDIINY-UHFFFAOYSA-N 350.915 4.891 0 1 FJAF Clc1nc2c(nc1Cl)N(CC[C@H]1CCCN1)c1ccccc1S2 1857746644 SZZKRUFUIHOYGG-SNVBAGLBSA-N 367.305 4.528 0 1 FJAF O=C(NC1CCCCC1)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 1006593 DUKMSRYWPVZSLW-UHFFFAOYSA-N 374.843 4.794 0 3 FJAF CC(C)c1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 592941 YYMYDMNJOINLFF-UHFFFAOYSA-N 374.893 4.720 0 1 FJAF FC(F)(F)c1cccc(N2CCN(CCCCc3ccccc3)CC2)c1 13447111 DCDOFEWPXKNFQY-UHFFFAOYSA-N 362.439 4.850 0 1 FJAF CCCN1CCc2cc(OCCCF)cc3c2[C@H]1Cc1cccc(O)c1-3 66074347 FVKWMLJXSQTSBS-LJQANCHMSA-N 355.453 4.663 0 1 FJAF COc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1 84709791 WAVMKPDQAZWBEZ-UHFFFAOYSA-N 362.425 4.958 0 1 FJAF Cn1c(SCc2ccc(Cl)cc2)nc2c3ccccc3nc-2c1O 100705464 ABMJQLUMWHEIBK-UHFFFAOYSA-N 355.850 4.724 0 1 FJAF Cc1ccc(-c2ccc3c(c2)CCc2nn(-c4ccccn4)c(O)c2-3)cc1 101463433 ANHBIBWDALEJQP-UHFFFAOYSA-N 353.425 4.714 0 1 FJAF O=C1c2ccccc2[C@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 116195176 RLFNSKPXUSVZSQ-FQEVSTJZSA-N 359.816 4.966 0 1 FJAF Oc1cccc2c1OCC(c1nc3cc(SC(F)(F)F)ccc3[nH]1)=C2 586908034 LQFYTGAAJGPHNA-UHFFFAOYSA-N 364.348 4.813 0 1 FJAF Cc1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084839 VATDRPPSVCOZIL-UHFFFAOYSA-N 362.658 4.762 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4ccnc(Br)c4[nH]3)C2)c1 587132004 ZQSFVOKPKDHARQ-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@@H]1c1c(F)cccc1Cl)O2 587382141 OOEFFNOGHGZSQX-HGFQGUBDSA-N 359.828 4.897 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cnc1Cl)CC2=O 587463005 UCRYBZCRSGFUTL-OAHLLOKOSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C1\CCCO1)(c1ccccc1)CC2=O 587483232 FBEPYUVQZFEBRT-AKXFXYSNSA-N 364.441 4.900 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc(C(C)C)n3ccccc13)CC2=O 587486840 MLHZBTFFMWDFPP-IBGZPJMESA-N 364.445 4.822 0 1 FJAF O=C1C[C@H](c2ccc(-c3cnccn3)cc2)Oc2c1ccc1c2CCCC1 587513577 CYIZMQJJOFNMAS-JOCHJYFZSA-N 356.425 4.729 0 1 FJAF C[C@@]1(c2ccnn2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517725 SYHFVCVRJMHGHM-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF C[C@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603227 ODRBVYWOWNXTRW-ZFUCPZCZSA-N 360.409 4.601 0 1 FJAF CC1(C)Cc2c(cnn2-c2ccc(C(=O)O)cc2)-c2[nH]c3ccccc3c21 621485733 ILSAIHFHJQOVAY-UHFFFAOYSA-N 357.413 4.553 0 1 FJAF COc1ccc2c(c1)[C@@](C)(c1ccc(C(F)(F)F)nc1)N(C(C)C)CC2 962091441 NRYAGMJSXLFCQI-LJQANCHMSA-N 364.411 4.639 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2cccnc2)c2ccco2)cc1 962671750 SOHQNRZNAWYUPX-DEOSSOPVSA-N 352.437 4.779 0 1 FJAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2cccc(F)c2)cnc1N 1857594999 YNVOBJNLKJTHID-UHFFFAOYSA-N 355.800 4.684 0 1 FJAF COc1cccc(-c2cccc3c2NC(=O)[C@]3(C)Cc2cccc(F)c2)c1 61908164 WAUBVPUFAMHESR-HSZRJFAPSA-N 361.416 4.954 0 3 FJAF COc1ccc(O[C@]2(C)CCN(Cc3ccc(-c4ccccc4)o3)C2)cc1 61928087 CQNGFMGEOKGFOQ-HSZRJFAPSA-N 363.457 4.999 0 3 FJAF COc1ccccc1CCn1cnc(Cc2cccc(F)c2)c1C(C)C 95565995 LUVUQLANIJRPEC-UHFFFAOYSA-N 352.453 4.988 0 3 FJAF CCC[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1N(C)Cc1ccccc1 206042785 PPNMBWHLIDTXJS-JTOYRKQZSA-N 368.565 4.858 0 3 FJAF CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1 4081358 QIBDNAUYLWUMDY-UYAOXDASSA-N 370.880 4.643 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4Cc5[nH]nc(C)c5[C@@]4(C)CC[C@@H]32)C1 5891673 HIZJMJPAOLQSHZ-ALOMXMGUSA-N 368.521 4.626 0 1 FJAF CCCOc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1OCCC 13584604 SYTAXDSFXYQTHT-UHFFFAOYSA-N 354.402 4.743 0 1 FJAF CC(=O)SCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 13746616 IHMMUJMBXWPHDJ-YHDSQAASSA-N 372.530 4.657 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395129 RPIWNKCKNAVMOS-ALYLOHGZSA-N 359.554 4.739 0 1 FJAF CC[S@](=O)c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 36126977 CHEJRRFLVQYEME-XMMPIXPASA-N 366.552 4.633 0 1 FJAF CC(C)(C)c1ccc(CCOc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955646 XAWZLBSHJJSYAB-UHFFFAOYSA-N 362.901 4.571 0 1 FJAF CCN(c1ccnc(Nc2ccc(C(=O)O)cc2)n1)c1ccccc1Cl 87613222 WUNZTFBHHZYLEC-UHFFFAOYSA-N 368.824 4.730 0 1 FJAF COc1cccc2c1CC[C@H]1[C@H]2CCCN1C(=O)c1cn(C)c2ccccc12 96169288 UHIDIMBWIAJJQY-JTSKRJEESA-N 374.484 4.522 0 1 FJAF CC[C@@H]1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 169341854 GFNNCQAQIGNTNV-MAIVGLDJSA-N 360.501 4.705 0 1 FJAF Cc1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3Cl)cccc2c1 201606763 LIQMXHOMGDZAPX-UHFFFAOYSA-N 367.257 4.651 0 1 FJAF C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@H](c1ccc(OC(C)=O)c(OC)c1)O2 238783382 ULUHHHUHNYTNGV-IWUPZWEESA-N 368.429 4.899 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586961226 GNYUREVVAOLOEB-ZETCQYMHSA-N 358.776 4.878 0 1 FJAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586990640 HKELLFFPKJIQLB-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Oc1c(Br)ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587024113 VYLLNOKCMWBASL-UHFFFAOYSA-N 372.247 4.822 0 1 FJAF FC(F)(F)c1cnc2nc(-c3cc(-c4cccc(Cl)c4)[nH]n3)[nH]c2c1 587067951 CEYOGJKEJMDULS-UHFFFAOYSA-N 363.730 4.687 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1 587085574 UYALYHHGTYHJJK-UHFFFAOYSA-N 372.211 4.872 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)c4cccnc4)nc13)-c1ccccc1C2=O 587096025 BRUDJGUVXIFQTQ-UHFFFAOYSA-N 364.404 4.575 0 1 FJAF Fc1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1Br 587108693 PFXVAARXHKUACE-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(Br)cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587176932 WGDUNQSOJGEMJC-UHFFFAOYSA-N 371.213 4.570 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H]2C2CCC2)[C@H]1c1ccc(F)cc1 587357165 TXCCNJGERBPKAN-VCOUNFBDSA-N 352.405 4.839 0 1 FJAF COc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587375766 OQBFTXACXWUAGN-HNNXBMFYSA-N 352.217 4.599 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CCc1cccc(N)c1)(C(C)C)CC2=O 587472937 OQQHJHQHLNMAOU-QHCPKHFHSA-N 367.489 4.920 0 1 FJAF C[C@@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587510200 GCWPYGYDUCVPFN-FPTDNZKUSA-N 373.493 4.593 0 1 FJAF Cc1nccn1-c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514523 ZHIHIPIWKVLKNM-XMMPIXPASA-N 372.468 4.940 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H]2CCCF 587553105 DSBONTMUPBCGOG-YMTYPPQLSA-N 356.393 4.642 0 1 FJAF Cc1nc2ccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2o1 587584917 BZABPJPZTNLUDI-DENIHFKCSA-N 373.364 4.545 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccccc23)N1 587802379 MAARZLQGJKFCRV-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOC2CCCC2)N1 587810808 MAGZBLUPGGZDQK-APPDUMDISA-N 356.279 4.513 0 1 FJAF CC(=O)OC[C@@H]1CC[C@H]([C@@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(O)c21 2356475966 WWSLEIZYHDWGFE-QILLFSRXSA-N 374.477 4.997 0 1 FJAF Clc1cccc(Cl)c1C1=NO[C@@H](c2nnc(-c3ccccc3)o2)C1 13660373 LUZLRFXIVOXRBV-CQSZACIVSA-N 360.200 4.909 0 3 FJAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc3cccnc23)cs1 61908695 DOPJRTSEGWDDDJ-HXUWFJFHSA-N 368.408 4.892 0 3 FJAF COc1ccc2c(c1)[C@@H](CCCN1CCN(c3ccccc3)CC1)CCC2 13740692 VEQQYRMROCWKNF-HXUWFJFHSA-N 364.533 4.718 0 1 FJAF O=C(CCCCCCCCc1ccc2c(c1)OCO2)c1c(O)cccc1O 14585517 YBWSTOTVYZXFJA-UHFFFAOYSA-N 370.445 4.983 0 1 FJAF biogenic CCOC(=O)c1sc2c(c1C)[C@@H](c1cccs1)[C@H]1C(=O)CCCC1=N2 18062178 VVCRBEHYJDMBTK-HZPDHXFCSA-N 373.499 4.882 0 1 FJAF CC(C)c1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884257 RHGOGAWBGZWBQQ-UHFFFAOYSA-N 359.425 4.508 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34212571 RPIWNKCKNAVMOS-DBJZPHGSSA-N 359.554 4.739 0 1 FJAF CC[C@H](C)c1cc(C=O)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 71317106 RHIVEPKROVSMOM-ZDUSSCGKSA-N 366.413 4.803 0 1 FJAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccccc2F)s1 82175501 FFRFESKWCKAZMX-UHFFFAOYSA-N 354.454 4.569 0 1 FJAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccccc2C)s1 82177350 SJKQBDXWKWEWKK-UHFFFAOYSA-N 350.491 4.738 0 1 FJAF O=C(/C=C/c1ccccc1)NCCCNc1ccnc2cc(Cl)ccc12 95593471 HDEVRLAAADSHHX-JXMROGBWSA-N 365.864 4.520 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@H](OC)O1 238772057 DDLXKCMOPRPBNK-CZLQCDLFSA-N 366.542 4.902 0 1 FJAF C[C@@H]1[C@H]2CC[C@@H]3C4=CC[C@@H]5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255211361 FXXHLWMDAHXVCT-WXHPONQSSA-N 356.598 4.810 0 1 FJAF Cc1noc(C)c1-c1ccc(-c2nc3ncccn3c2NC(C)(C)C)cc1 299840106 UMDJSUBEFYONEL-UHFFFAOYSA-N 361.449 4.879 0 1 FJAF COc1ccccc1-c1cc2c(N[C@H](C)c3ccccn3)ncnc2s1 299858398 GNOJTHPAWKLQMI-CYBMUJFWSA-N 362.458 4.935 0 1 FJAF Clc1ccccc1-c1ccc(Cc2nc3c(Cl)ncnc3[nH]2)cc1 587063248 QXYTXWVDJMFTDO-UHFFFAOYSA-N 355.228 4.918 0 1 FJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587088038 ICPRVQDRYSTKIU-HNNXBMFYSA-N 369.415 4.892 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587168009 CQMDTOLOEWZQCC-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c(Cl)c2c1 587175650 WYDZKYOEIQHGPP-UHFFFAOYSA-N 365.698 4.825 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1cccnc1)O2 587377475 IQKIMGSZKHFJCJ-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)ccc1Br)O2 587377566 NMWWIOCIHLABFX-GOSISDBHSA-N 360.251 4.529 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1Oc1ccccc1C=O)O2 587402512 DVKDKMSERWAWDP-JOCHJYFZSA-N 373.408 4.889 0 1 FJAF COc1ccc([C@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525604 QTPLMJFBAUOVEV-LHSJRXKWSA-N 366.457 4.720 0 1 FJAF CC(C)(c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602580 KCOMIXMHFDNCCD-SIKLNZKXSA-N 360.409 4.700 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587613974 QKSWPBJDSCNKEE-FXAWDEMLSA-N 352.411 4.773 0 1 FJAF Cc1ccc(Cl)c2c(-n3ncc4ccc(Cl)cc4c3=O)ccnc12 587652057 VBFDLQZDFHFIDY-UHFFFAOYSA-N 356.212 4.549 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n2C)N1 587755604 HYVPPYZCKFDXGA-JEOXALJRSA-N 373.269 4.704 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)nc1 587861248 OYOPWMIKDOEBRO-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF C[C@@]1(c2cc3c(ccc4ccccc43)o2)NCCc2c(C(=O)O)cccc21 963131852 OWBVSHFAISDVCD-HSZRJFAPSA-N 357.409 4.693 0 1 FJAF Cc1cc(-c2sc(Cc3ccc(Cl)cc3)nc2C)ccc1C(N)=O 1772580447 IEGZTRXDZWLXMW-UHFFFAOYSA-N 356.878 4.770 0 1 FJAF Cc1cccc(NC(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)n1 4885256 WDQLREUWOVJLFF-UHFFFAOYSA-N 351.837 4.723 0 3 FJAF CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1 772584 NXHWRYJFQQEUCU-AZUAARDMSA-N 370.880 4.643 0 1 FJAF CCCCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1OC 2482388 NQQVMZVNUIDHRW-UHFFFAOYSA-N 368.408 4.686 0 1 FJAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)cc1 3814734 UAGQKNVABGCDHM-UHFFFAOYSA-N 354.471 4.584 0 1 FJAF CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c(C)[nH]c1=S 28351718 JWQMHEKMBFFDIA-LBPRGKRZSA-N 359.278 4.947 0 1 FJAF COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(OC)c(O)c12 40584193 FNUGEBYFFAEPRS-KSFYIVLOSA-N 360.494 4.708 0 1 FJAF biogenic Cc1cccc([C@@H]2N=C(NCc3cccc(F)c3)N[C@H]2c2cccc(C)c2)c1 43021061 ILWIFXREUGXHMS-GOTSBHOMSA-N 373.475 4.974 0 1 FJAF CN(C)c1cnc(NC(=O)[C@H](c2ccc(Cl)cc2)C(C)(C)C)s1 45349506 JVYOCTMKSMPLTP-AWEZNQCLSA-N 351.903 4.631 0 1 FJAF Fc1ccc(C[n+]2ccc3c(c2)[nH]c2ccc(Br)cc23)cc1 45354952 UNDDDMDTWXHWPE-UHFFFAOYSA-O 356.218 4.559 0 1 FJAF CCOc1ccc2nc(Cl)c(Cn3cc(-c4ccccc4)nn3)cc2c1 53297434 ZLHYXNJDNRPVTL-UHFFFAOYSA-N 364.836 4.594 0 1 FJAF CCCCc1cc2c(=O)cc(C)[nH]c2cc1OCCOc1ccccc1 82158159 IKWXRBPNWXRFRU-UHFFFAOYSA-N 351.446 4.637 0 1 FJAF CC(C)=CCN1CC[C@@]2(C)c3cc(O)c(Br)cc3C[C@H]1[C@@H]2C 100720106 YTONQGWHDGBSSY-SOVGHPHASA-N 364.327 4.645 0 1 FJAF Cn1nccc1C1=CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 118934036 VHPGMNFYRNXNDD-VYAQIDIUSA-N 352.522 4.737 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1ccccn1)CC3 586987763 FMTQBJCTCQJXTB-HNNXBMFYSA-N 364.404 4.625 0 1 FJAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587013023 YANQHTVIDZCSDR-UHFFFAOYSA-N 374.391 4.999 0 1 FJAF Fc1cc2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2cc1C(F)(F)F 587016255 ILDQMXQWXPUOJL-LBPRGKRZSA-N 357.332 4.696 0 1 FJAF CCc1cc(OCc2nc3cc(Br)cnc3[nH]2)ccc1Cl 587052744 KUJKYSZVUSIQRG-UHFFFAOYSA-N 366.646 4.515 0 1 FJAF Cc1nc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2cc1Br 587086751 DSKHWMKJXKXZEB-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1cnc(Cl)c2[nH]c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc12 587134130 IKWWJNIMLYYNEO-NSCUHMNNSA-N 359.685 4.786 0 1 FJAF Clc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2nc1Cl 587232604 VOTPKTNDZKQYDP-UHFFFAOYSA-N 373.243 4.815 0 1 FJAF O=C(/C=C\c1nc2cccc(OCc3ccccc3)c2[nH]1)Nc1ccccc1 587244970 TZWSGAOSPMXXTK-PFONDFGASA-N 369.424 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccsc4)s1)[C@@H](C2)C3=O 587452726 UGUBQHMAPZBSFR-ORAYPTAESA-N 354.452 4.974 0 1 FJAF Cc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602321 HUJBGOGPXOPHGN-NFBKMPQASA-N 358.393 4.504 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Cl)N1 587699416 XCNNIULNHIQSEG-ZKANADHPSA-N 370.649 4.571 0 1 FJAF CCNc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756538 RAECBBKJPLQKFC-VOJFVSQTSA-N 363.274 4.644 0 1 FJAF Fc1ccc2nc(COC/C=C/c3ccccc3)[nH]c2c1Br 587781910 YTHPSWVJUPQESA-QPJJXVBHSA-N 361.214 4.695 0 1 FJAF Cc1coc(C)c1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830427 SZAKEIMRYYWQEJ-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF N=C(N)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949419 FXSBPHMFZQXYSI-ACCUITESSA-N 354.413 4.810 0 1 FJAF O=C(CCc1ccccc1)c1nc2c(Cl)cc(Br)cc2[nH]1 587952834 ACLHLYZIDDMFEB-UHFFFAOYSA-N 363.642 4.794 0 1 FJAF CN(C)CCOc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587969380 RTFIQQYJQSDWNB-RAXLEYEMSA-N 357.457 4.827 0 1 FJAF Oc1ccc(-c2cccc(-c3noc(Cc4c[nH]c5ccccc45)n3)n2)cc1 653710209 ONXLXYSOGWMBNA-UHFFFAOYSA-N 368.396 4.576 0 1 FJAF COc1c(F)ccc(F)c1[C@@H]1NCCc2cccc(-c3ccccc3)c21 962664440 GVALQSHBRIURSJ-OAQYLSRUSA-N 351.396 4.876 0 1 FJAF C[C@H]1CC[C@@H](C)C[C@@H](C)C(=O)N(C)C=CCC(=O)O[C@@H](C(C)(C)C)C1 2356496645 MUPORQMYFNQMDE-XMTFNYHQSA-N 351.531 4.789 0 1 FJAF CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CCCCCC(=O)O 2356596743 QWOUVGWCGKEVEB-RTWAWAEBSA-N 362.510 4.715 0 1 FJAF O=C1c2cccc(F)c2CC[C@@H]1C1CCN(CCc2ccccc2)CC1 13734318 TYTUURCCMHKELI-LJQANCHMSA-N 351.465 4.526 0 1 FJAF CCCCc1nc2ncccc2n1Cc1cc(Cl)c(O)c(Cl)c1 26274736 YPWNRPDKFXPNHV-UHFFFAOYSA-N 350.249 4.835 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 26393672 YEULSAXOJYTLCB-BUPHJVBDSA-N 359.554 4.739 0 1 FJAF CC(C)(C)c1cccc2c1NC(=O)C2(c1ccc(O)cc1)c1ccc(O)cc1 28884265 JNQAOGMRWFZFEY-UHFFFAOYSA-N 373.452 4.682 0 1 FJAF O=c1oc2ccccc2cc1-c1cn2c(n1)sc1cc(Cl)ccc12 34861128 LCKFBTUGDDNQFG-UHFFFAOYSA-N 352.802 4.976 0 1 FJAF COc1ccc2c(c1)c(-c1ccc(C(C)(C)C)cc1)nc(=O)n2C(C)C 45371468 JPGLJHNGXAZHEX-UHFFFAOYSA-N 350.462 4.951 0 1 FJAF CC(C)=CCc1cc(C(=O)O)cc(C/C=C(\C)[C@H](O)CC=C(C)C)c1O 49181023 LAAGNRGTRFQJND-MOWFPQLSSA-N 358.478 4.805 0 1 FJAF CCCc1ccc2c(c1)sc(=O)n2CCN1C[C@@]2(C)CCC[C@@]2(C)C1 96142563 FPZLYNBPNTYZTM-OYRHEFFESA-N 358.551 4.528 0 1 FJAF O=NC1=C(Cc2cn(Cc3ccccc3)c3ccccc23)N2CCC1CC2 169729728 QTAHXKUCPAVGDA-UHFFFAOYSA-N 357.457 4.936 0 1 FJAF CCc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1Br 586976042 BNDSGFVOJHAIDF-UHFFFAOYSA-N 370.172 4.969 0 1 FJAF O=C1c2ccccc2-c2cc(/C=C/N3CCCCCC3)nc3ccc(O)c1c23 586988203 MWDVYTRJMNSOOQ-SDNWHVSQSA-N 370.452 4.999 0 1 FJAF Cc1nc2[nH]c(CSCc3ccsc3)nc2cc1Br 587024563 BKRGPAUUCDPCEW-UHFFFAOYSA-N 354.298 4.524 0 1 FJAF Cc1cc(Br)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587037705 XFBIHXYILNTBDH-CYBMUJFWSA-N 363.280 4.552 0 1 FJAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587087724 FVHYWODWOYNAAO-SSDOTTSWSA-N 365.733 4.985 0 1 FJAF CCOC(=O)[C@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587097250 JZPZCUIKKZBKAC-FZKQIMNGSA-N 371.436 4.594 0 1 FJAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 587113530 MQQJTEPOBYXNDO-ZDUSSCGKSA-N 353.775 4.786 0 1 FJAF Cc1cc(Cl)cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120571 PHMDKWPSZMCYOH-UHFFFAOYSA-N 368.668 4.952 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1O[C@H]1c1ccccc1)O2 587412178 MHTJGFDGBWUKTN-QTJGBDASSA-N 371.436 4.578 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(CCC(F)(F)F)c1)[C@@H](C2)C3=O 587422914 WDMASJKRVNLHJQ-HNAYVOBHSA-N 362.347 4.679 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587445846 OQXPHKPKGMEISH-RDPSFJRHSA-N 356.421 4.695 0 1 FJAF CCN(CC)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587503699 HRVPSYMHAKPIPO-QFIPXVFZSA-N 365.473 4.824 0 1 FJAF COc1cc(F)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587506908 QRRGAUPRSNEGQF-QFIPXVFZSA-N 370.420 4.602 0 1 FJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C(C)(C)C 587517139 HSAUYGDKTFJXBF-QFIPXVFZSA-N 352.478 4.706 0 1 FJAF O=C1C[C@H](c2ccc(O)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587526904 UZBZXLQAZVNZNM-OAQYLSRUSA-N 364.441 4.766 0 1 FJAF O=C1C[C@@H](c2cnc(N3CCCCC3)s2)Oc2c1ccc1c2CCCC1 587534962 GQPSJRKITSTOFT-SFHVURJKSA-N 368.502 4.719 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602290 HPXPKXVQKBWMLZ-LHBYOMRUSA-N 364.441 4.939 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ncn(Cc4ccccc4)c3N)c(N)c2c1 587641419 FUXJRNYHZQNVBG-CQSZACIVSA-N 359.477 4.758 0 1 FJAF Fc1cccc2c1CC[C@]1(C2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962722090 YIIVHAQPTIHCJR-ZHRRBRCNSA-N 371.496 4.713 0 1 FJAF COc1ccc(Nc2nnc(-c3ccc(Br)cc3)s2)cc1 1911580344 FGKPIILKHZDYOT-UHFFFAOYSA-N 362.252 4.720 0 1 FJAF N[C@@H](Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61928460 SFDXUDKASGPRNY-ZDUSSCGKSA-N 364.396 4.543 0 3 FJAF CC1=C(Oc2ccccc2)[C@H](CCC(=O)O)c2c(O)cc(Cl)c(O)c21 5757485 KKRONXYHJSQOBI-GFCCVEGCSA-N 360.793 4.523 0 1 FJAF Oc1nc2ccccc2n1[C@@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 13588460 YREGMDIGXZOSIF-GGPKGHCWSA-N 353.510 4.880 0 1 FJAF CS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc(F)cc2)cc1 13755787 HNFQHHNIJFTNOS-UHFFFAOYSA-N 362.372 4.841 0 1 FJAF COc1ccc(CC2=C[C@H](Cc3ccc(OC)cc3)[C@@H]3CC[C@H]2N3C)cc1 28526224 IIUCDLSWGJQFQI-WDJPJFJCSA-N 363.501 4.508 0 1 FJAF CNc1cc(/C=C/c2cccc(/C=C/c3ccc(O)c(NC)c3)n2)ccc1O 28948976 NPXKPNXUXIPBFY-JMQWPVDRSA-N 373.456 4.917 0 1 FJAF N=c1sc(-c2ccc(O)cc2)nn1-c1c(Cl)cc(Cl)cc1Cl 29410685 XYSPWFZLVIFCTH-UHFFFAOYSA-N 372.664 4.746 0 1 FJAF O=C(Nc1cccc(Cl)c1)c1cccnc1SCc1ccncc1 38894958 XJTFTJULIRSKQK-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF O[C@@]1(c2ccc(-c3ccc4ccccc4c3)cc2)CN2CCCC[C@@H]2CO1 64526649 LKDZAVLPTGMMGZ-RPWUZVMVSA-N 359.469 4.537 0 1 FJAF C[C@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)C1CCCCC1 95567876 SWSOEWNFYYVHKJ-INIZCTEOSA-N 359.477 4.981 0 1 FJAF CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2cccc(Cl)c2)n1 103261683 IOTXFNLXIBJALS-UHFFFAOYSA-N 364.840 4.528 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc(C(C)=O)s1 115765220 WGJRSLPGYFHMTG-UHFFFAOYSA-N 361.854 4.655 0 1 FJAF CC(C)C[C@@H](NCCCC(N)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 199950342 LOAMESGVVPSFCK-QGZVFWFLSA-N 371.352 4.685 0 1 FJAF COC[C@H](C)Oc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 219337645 HIYQMCOWSKXCDK-NSHDSACASA-N 359.809 4.600 0 1 FJAF C[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1C(=O)O 238764984 IQOBRUHFIHSLSL-CADBVGFASA-N 370.530 4.701 0 1 FJAF Cc1nc(COc2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cs1 587020226 ITUSTVLOGQCGOP-UHFFFAOYSA-N 374.828 4.761 0 1 FJAF Fc1cc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2cc1-n1cccn1 587081180 UJDHLNULRUHZDC-UHFFFAOYSA-N 365.799 4.544 0 1 FJAF COc1nccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095022 MUABAKFAHMFTEO-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587168634 KAGRLYCWNUQEDJ-GFCCVEGCSA-N 362.408 4.673 0 1 FJAF Cc1nc2cccc3c2c(c1CCCCCC(=O)O)-c1ccccc1C3=O 587205643 ASEARPKRPXRMJR-UHFFFAOYSA-N 359.425 4.942 0 1 FJAF CC[C@]1(Cc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356737 RDKGNDKATURBLX-IFMALSPDSA-N 366.388 4.875 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncccc1C(F)(F)F)CC2=O 587464396 PKEPXPILJOCVDE-GOSISDBHSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(OC)ccc(C)c31)CC2=O 587476064 CGOMKNBDXXEQPB-QHCPKHFHSA-N 366.457 4.859 0 1 FJAF Cc1ccccc1-n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517137 HOEUIKJNJHMZKH-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF CC[C@@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523507 JNOKMYYOGIAZFG-QHCPKHFHSA-N 366.457 4.853 0 1 FJAF Cc1ccccc1C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602363 JNGWUNXMBHCKIW-REWPJTCUSA-N 360.409 4.664 0 1 FJAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2cc(Cl)c(F)cc12 587629181 XYPUVJKSGLDWKA-UHFFFAOYSA-N 353.180 4.853 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814978 XHIOODGWOXUXKN-HIIUDZQISA-N 370.306 4.589 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3o2)N1 587835064 UNRFZFZCUYYUHQ-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2Cl)N1 587848054 ZAVPZNMXKBYQCH-FUXBKTLASA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccc(Cl)cc1 587871387 VLUYPLWABGATDY-UHFFFAOYSA-N 358.800 4.624 0 1 FJAF C[C@]1(Cc2ccc(F)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716687 VRMJZYKRAQGKKB-UTKZUKDTSA-N 359.485 4.786 0 1 FJAF Cc1ccc([C@@]2(Cn3nc(C)cc3C)NCCc3c2sc(C)c3C)cc1 963012806 QYBKGHSEYNMROS-JOCHJYFZSA-N 365.546 4.576 0 1 FJAF CCc1cc(O)ccc1[C@H]1c2ccsc2CCN1Cc1cccnc1 963014403 SPBMWBXQFSNULV-NRFANRHFSA-N 350.487 4.559 0 1 FJAF CC(C)n1cc(-c2csc(-c3cncc(NC(=O)C4CC4)c3)c2)cn1 1857656778 PNXYUNPNSUNDGR-UHFFFAOYSA-N 352.463 4.603 0 1 FJAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2 2356777848 FDXWQZPEESTRTQ-WOIUINJBSA-N 358.478 4.953 0 1 FJAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61907782 DWCBMADVZWKRIN-QGZVFWFLSA-N 353.340 4.622 0 3 FJAF CC1(C)C[C@@H](Cc2ccc(C(F)(F)F)cn2)N(C(=O)OC(C)(C)C)C1 199242035 LVALIHPKYCGEIX-CQSZACIVSA-N 358.404 4.679 0 3 FJAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 5963384 BMUVJFGCCPHXOJ-WJONJSRFSA-N 358.478 4.893 0 1 FJAF in-man CCN(CC)c1nc(C)nc2c(-c3ccc(Cl)cc3Cl)c(C)nn12 13804971 DYEGZKIYHACNON-UHFFFAOYSA-N 364.280 4.561 0 1 FJAF CCOc1ccc(-c2nc3ncccn3c2NC2CCC(C)CC2)cc1 21631485 UWAPSNFUVSEIDV-UHFFFAOYSA-N 350.466 4.786 0 1 FJAF CC[C@H]1CN2CCc3ccccc3[C@@H]2C[C@@H]1C[C@H]1NCCc2ccccc21 38792131 KSQYVPHTTWSOHG-CKBKHPSWSA-N 360.545 4.909 0 1 FJAF in-vitro CC[C@H](C)[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112145 UJPKDQKXBREQBZ-HUTHGQBESA-N 356.249 4.764 0 1 FJAF c1ccc(Oc2ccc(-c3cnc4ncc(-c5cn[nH]c5)cn34)cc2)cc1 53244124 QKHGHNVMDPMIOA-UHFFFAOYSA-N 353.385 4.579 0 1 FJAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2)sc1C 82162912 VGCUVOWTNSEJGQ-UHFFFAOYSA-N 350.491 4.874 0 1 FJAF O=C(O)[C@@H](C/C=C/CCCCCCCC[C@@H]1C=C(CO)CC1)CCCO 85489282 UBGUJVICJUKELH-WSXJYFSRSA-N 366.542 4.856 0 1 FJAF biogenic,in-vitro Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)c1 100728455 DCCIBUPSLSMHHL-WLRLJWMZSA-N 369.892 4.820 0 1 FJAF Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccncc1 101597476 JDJRWUTUZSNGRL-UHFFFAOYSA-N 351.413 4.665 0 1 FJAF COc1cncc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218306133 FHGKXWSNTAZCCJ-OAQYLSRUSA-N 357.413 4.608 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](OC(C)=O)CC[C@H]12 253859961 MEHJFIPYSWVCTE-YTAOHXRWSA-N 374.521 4.814 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587116056 LRUVKESMHDWJRD-UHFFFAOYSA-N 369.561 4.942 0 1 FJAF Cc1cc2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2c(C)n1 587198486 GPNGZRFBZIYMLT-IBGZPJMESA-N 366.465 4.540 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cc(Br)ccc31)O2 587372119 OBEFICZOOJIYNG-IBGZPJMESA-N 372.262 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587454042 RDEQLIFKYBJZQI-MBSDFSHPSA-N 364.441 4.634 0 1 FJAF Cc1c(F)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587557817 OQIQTFQQTZXQKF-UTKZUKDTSA-N 368.335 4.682 0 1 FJAF Cc1ccc(C)c(C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603046 MOFORTQROZEUDO-NHCUHLMSSA-N 360.409 4.582 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc(Cl)cc1F 587861532 SLCPCOZIZWFFEW-UHFFFAOYSA-N 371.721 4.754 0 1 FJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(OCc5ccccc5)cc4[nH]1)(C3)C2 587969702 URLIQBYCCCINIK-VYSIZUCDSA-N 372.468 4.789 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3cccs3)nc3ccccc23)cc1 1911571370 LVQHWPABTFZOLV-OAQYLSRUSA-N 362.454 4.623 0 1 FJAF CC=Cc1cc2c(cc1OC)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 2356402961 VYLKLOAVECRURJ-LRTDBIEQSA-N 370.445 4.991 0 1 FJAF CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2cc(Cl)ccc21 2382228219 GJAUFBFWISIJCD-UHFFFAOYSA-N 362.260 4.934 0 1 FJAF COc1c(C)[nH]c2c(c1=O)[C@@H](CCCCCc1ccccc1)CCC2=O 2382247481 KQQGEPZSLYMZAR-KRWDZBQOSA-N 353.462 4.555 0 1 FJAF O[C@@](c1ccccc1)(c1nc(-c2cccc(F)c2)cs1)C(F)(F)F 61902763 DQAUUVDQVSHQFF-INIZCTEOSA-N 353.340 4.747 0 3 FJAF COc1cccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1 8611602 DRSABUZVNHKTIS-UHFFFAOYSA-N 372.424 4.874 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2cccnc2c1 13761448 VCXNDBFIRNSLCW-FQEVSTJZSA-N 360.501 4.838 0 1 FJAF CCN(CC)C(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27086681 YEULFXLBNXIOGJ-UHFFFAOYSA-N 358.438 4.620 0 1 FJAF O=C1Nc2cc(Cl)ccc2[C@]12ON=C(c1ccccc1)[C@H]2c1ccccc1 103236555 WTEDTUPFMNTXFA-DENIHFKCSA-N 374.827 4.706 0 1 FJAF CC[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C)C1(Cl)Cl 103272518 MWDQYFKQDWNBMC-LKFCYVNXSA-N 369.119 4.872 0 1 FJAF CN(C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C)c1ccccc1 169316025 QBSLGQKCSOHHBR-DOIPELPJSA-N 368.908 4.569 0 1 FJAF CCC(=O)O[C@H]1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205710955 UCODYVFDWIAUDQ-INIZCTEOSA-N 353.315 4.847 0 1 FJAF Cc1cc2nc(CCCCc3cccc(O)c3)[nH]c2cc1Br 586895817 AGTIJVAYESLIAP-UHFFFAOYSA-N 359.267 4.905 0 1 FJAF Clc1ccc(OCc2nc3cncc(Cl)c3[nH]2)c(Br)c1 586977687 PROZGOKOOBMAKB-UHFFFAOYSA-N 373.037 4.606 0 1 FJAF Cc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Cl 586979270 VHYJCTFWXDREHW-UHFFFAOYSA-N 350.647 4.966 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2cnc3ccccc3c2[nH]1 586980657 CKDIWXGYPOYAHE-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(Cl)nn4)nc13)-c1ccccc1C2=O 586992996 JKXHJRDQUYCYBK-UHFFFAOYSA-N 357.800 4.865 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C)cnc2[nH]1 587033733 AFDRGCDCIYTCJS-CQSZACIVSA-N 364.474 4.752 0 1 FJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccccc4[nH]3)cc2F)c1 587143388 FLPIHNROCCGBPD-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587421313 LUWMLGMVZCVRTC-XOBRGWDASA-N 353.805 4.627 0 1 FJAF CCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 587502556 AETNXPMZUJDIFU-MRXNPFEDSA-N 364.367 4.507 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Cl 587558467 SKWBURNWNOOEOK-JXFKEZNVSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c2ccoc2c1 587617533 QCIBXOOORIYWCI-DENIHFKCSA-N 374.348 4.547 0 1 FJAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2c(C)cc(Cl)cc12 587624388 IZFLPWHDAPTVJD-UHFFFAOYSA-N 367.754 4.924 0 1 FJAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Cl)cc1Cl 587633206 VBRLUZVALBISHE-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587736421 ZUVXZUDKHQHREX-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801137 IWIMABGRKLFPSL-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587930464 INQXIEKJSZXMRY-AWEZNQCLSA-N 372.472 4.749 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1ccc(-n3cnc4ccccc43)cc1)NCC2 962303860 XNWYQEUCLBSVIA-HSZRJFAPSA-N 357.432 4.708 0 1 FJAF CC[C@@H](C)Sc1nc(O)c(C)c([C@H](OC)c2c(F)cccc2Cl)n1 1857548534 MZAVJDGYAPRWPH-RFAUZJTJSA-N 370.877 4.910 0 1 FJAF CC(C)c1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)nn3c2)cc1 1857593873 FNFGBQOIEWTXBS-UHFFFAOYSA-N 361.405 4.757 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc4ccncc4c3)nc2c1 1911583256 QXTKUTPKHLSAKT-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CC(=O)OC[C@@H]1C=C(C)[C@]2(C)C(C)=CC[C@H](OC(=O)C=C(C)C)[C@@]2(C)C1 2356692762 KKLZNIQYCOGUJF-KIZRIRGWSA-N 360.494 4.756 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)CC2 36380862 JJTOWAJVCFLGMI-UHFFFAOYSA-N 371.531 4.750 0 3 FJAF COCc1cccc(-c2ccc3c(c2)COCC(=O)N3Cc2ccccc2)c1 205232635 GPRZQLXBQSLOMM-UHFFFAOYSA-N 373.452 4.563 0 3 FJAF COc1cccc(NC(=O)[C@H](Nc2ccccc2)c2ccccc2F)c1 206049519 DLDBYOXRZNXNKS-HXUWFJFHSA-N 350.393 4.626 0 3 FJAF Nc1cccc2c1sc1c(Nc3cccc(Br)c3)ncnc12 3815120 NPDZHTFXBRQGLG-UHFFFAOYSA-N 371.263 4.933 0 1 FJAF COC(=O)[C@H]1CN(CCCc2ccccc2)CC[C@@H]1c1ccc(Cl)cc1 13475005 GCOMVGGFTNTLHZ-RTWAWAEBSA-N 371.908 4.551 0 1 FJAF CSCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 26492862 JCSNXBHAUDLYMC-UHFFFAOYSA-N 373.478 4.524 0 1 FJAF COC(=O)[C@H](C)Oc1ccc(N(C)c2ccc3cc(Cl)ccc3n2)cc1 29310037 YFHXHKPXXUSFRU-ZDUSSCGKSA-N 370.836 4.596 0 1 FJAF Cc1ncc2c(n1)-c1ccc(Cl)cc1[C@H](c1ccccc1Cl)NC2 29344486 TWWXLUNHZAUPLK-IBGZPJMESA-N 356.256 4.951 0 1 FJAF CCCC[C@H](C)OC(=O)c1cc(CO)cc(C(=O)O[C@H](C)CCCC)c1 40972574 PPYAACOSKDYFTQ-IYBDPMFKSA-N 364.482 4.650 0 1 FJAF Fc1cc(Cl)ccc1Nc1ccnc(Nc2ccc3cn[nH]c3c2)n1 45195677 HQFBTFVTTBKOIM-UHFFFAOYSA-N 354.776 4.633 0 1 FJAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(C)c2)c1 66112173 QFVIQWOTXJDCBN-UHFFFAOYSA-N 363.486 4.946 0 1 FJAF CC(C)(N)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 72118804 WDLADOAVWBKUSG-UHFFFAOYSA-N 367.802 4.951 0 1 FJAF COC(=O)C/C=C/[C@@H](C)[C@@H](OCc1ccccc1Br)C(C)C 72119659 ZNXUGWNPKPHYLU-QBJLPMDFSA-N 369.299 4.746 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1[C@@H]1C[C@@H]2CC[C@@H]1C2 100870355 NUBAMRDDDMGSCF-JBYIUTFZSA-N 369.468 4.712 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1CSCCc1ccccc1 101375091 ZLEMKOGTMZQMLN-XLDZLZPESA-N 374.546 4.957 0 1 FJAF Cc1cc(-c2ccc3nnc(C(F)(F)F)n3c2)ccc1OC(F)(F)F 114880879 DMZBMJWTESKAEY-UHFFFAOYSA-N 361.245 4.622 0 1 FJAF CN(Cc1ccccc1)[C@@H](c1ccncc1)c1ccc2cccnc2c1O 115629135 JHFVJKJAKNOTNA-QFIPXVFZSA-N 355.441 4.557 0 1 FJAF CCc1ncc(Cc2cnc3ccccc3c2)c2cc(OC)c(OC)cc12 145069630 QMZYGDUGQNRMTH-UHFFFAOYSA-N 358.441 4.953 0 1 FJAF Cc1cc(Br)cc2nc(CCCCc3cccc(O)c3)[nH]c12 586896616 VMORJRBILDXRDZ-UHFFFAOYSA-N 359.267 4.905 0 1 FJAF Brc1nc(-c2nc3ccc4ncccc4c3[nH]2)c(C2CC2)s1 587013242 PYCLYBGAQUOTGL-UHFFFAOYSA-N 371.263 4.875 0 1 FJAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587088531 OIDIKGJLLIESNU-MRVPVSSYSA-N 363.355 4.925 0 1 FJAF CCOC(=O)Cc1nc2cccc3c2c(c1C1CCC1)-c1ccccc1C3=O 587105657 CWQHZMWRGXVQDS-UHFFFAOYSA-N 371.436 4.819 0 1 FJAF Cc1nccc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc12 587138207 BTYOSVWJDOTJAG-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccccc1C(F)(F)F 587210107 FPEWPMSNKOEYTH-UHFFFAOYSA-N 356.347 4.533 0 1 FJAF CC/C(C)=C(\N)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338907 SXJDYZCSKYJUEI-ABNQZKANSA-N 369.436 4.682 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(C(F)(F)F)ccc3n1)O2 587382245 LALGKEXBJYEFKV-GOSISDBHSA-N 372.346 4.851 0 1 FJAF CCOc1cc(N(CC)CC)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386809 KZNYKVBTFSKGDB-OAQYLSRUSA-N 368.477 4.529 0 1 FJAF C[C@@]1(c2ncccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495014 BDKYCKKLHXQITJ-IBGZPJMESA-N 372.262 4.604 0 1 FJAF Cc1cc(Br)cnc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500373 WOLNHGUPJZIQAS-QGZVFWFLSA-N 372.262 4.738 0 1 FJAF CC(C)(O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528698 DXWTYCVDZMAWCW-QHCPKHFHSA-N 350.458 4.673 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCC2 587600658 BQWLEDDRVGIVDN-NZQKXSOJSA-N 358.393 4.584 0 1 FJAF CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610737 HCTBNLHWRDWQAE-APWZRJJASA-N 367.426 4.675 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2occc2c1 587617485 PVRXRZYNEBCUHT-UGKGYDQZSA-N 358.349 4.841 0 1 FJAF Cc1c(-c2ccccc2OCC(=O)N(C)C)[nH]c2c(C)cc(Cl)cc12 587624034 BPGZOWZLWWEALL-UHFFFAOYSA-N 356.853 4.572 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2CC2(Cl)Cl)N1 587698132 YHNHYRJMXXXYLU-OHILOLKFSA-N 367.089 4.531 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC(F)(F)CC2)N1 587720619 NPZZGFVNANKVGP-RFAUZJTJSA-N 362.233 4.989 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822565 LGSWSSGHTQAGQO-VHPWJVAPSA-N 374.297 4.948 0 1 FJAF CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853232 LQDMJKJPWMTLJD-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCc1ccccc1 587870843 TWDRQGSSLHFPJM-UHFFFAOYSA-N 352.409 4.751 0 1 FJAF Cc1cccc(CC[C@@]2(C3CCCC3)NCCc3nc4ccccn4c32)c1 962985735 RHAVPMOKZMZPIM-DEOSSOPVSA-N 359.517 4.807 0 1 FJAF Cc1ccc([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)nc1 963096442 NKYZFZXNZJNFAN-ZJSXRUAMSA-N 358.460 4.842 0 1 FJAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356609683 JSICEBOYDITIFX-OJHUHCECSA-N 364.526 4.719 0 1 FJAF COc1cc2c(=O)c(-c3cc(Cl)c(O)c(Cl)c3)coc2cc1C 2356825483 HSTUAHQUTZBPMC-UHFFFAOYSA-N 351.185 4.789 0 1 FJAF COc1ccc(-c2coc3c(C(=O)NCc4ccco4)cccc23)c(C)c1 61904255 MLQGQSJLBLILOX-UHFFFAOYSA-N 361.397 4.940 0 3 FJAF COc1cc(-c2coc3c(C(=O)NC4CCCCC4)cccc23)ccc1O 61906406 KBMIIWXDTSYDOT-UHFFFAOYSA-N 365.429 4.877 0 3 FJAF COc1ccc2c(c1)OC[C@@H]1c3ccc(OCc4ccccc4)cc3O[C@H]21 1636037 HJOWUMBTYPBLOG-NFBKMPQASA-N 360.409 4.884 0 1 FJAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@]2(C)c2cc(O)c(C(C)C)cc2[C@H]1O 13302591 AMKZEPMOTWRTSJ-XWSHUIEDSA-N 360.494 4.578 0 1 FJAF biogenic C1=C(c2cccs2)CC[C@@H](CCN2CCN(c3ccccn3)CC2)C1 13890956 AAFWZBAPCZZXNP-SFHVURJKSA-N 353.535 4.539 0 1 FJAF in-vivo COc1cccc2c1c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1 14975780 OJELZJGBPRGETA-UHFFFAOYSA-N 369.505 4.941 0 1 FJAF C[C@@H]1C[C@@H](C)OC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O1 28522771 AMCBONFIXAFCBY-PZPWOCDFSA-N 368.452 4.661 0 1 FJAF COC(=O)c1c(-c2ccccc2)c2ccccc2c(=O)n1Cc1ccccc1 29064292 TUTXGBPGHYVEGW-UHFFFAOYSA-N 369.420 4.503 0 1 FJAF Cc1ccc(-n2nc(-c3ccccc3)c3c(=O)[nH]c4ccccc4c32)cc1 29466808 ZPHSJJRDKUKJDJ-UHFFFAOYSA-N 351.409 4.842 0 1 FJAF Cc1cc(C)c(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45168752 ZOWNMACSRLEUJC-OXQOHEQNSA-N 365.439 4.885 0 1 FJAF Cc1ccc2cc(-c3n[nH]c4ccc(NC(=O)c5ccco5)cc34)[nH]c2c1 66112965 ULUAYOBDLMUTSN-UHFFFAOYSA-N 356.385 4.865 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180964 PJSHHXYTVJRCTM-OAHLLOKOSA-N 369.488 4.790 0 1 FJAF CC(C)(C)OC(=O)Nc1ccc(CCN2CCc3ccccc3C2)cc1 98053118 JBBWXRZCIQADQF-UHFFFAOYSA-N 352.478 4.634 0 1 FJAF CC(C)C(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc(-c2ccccc2)cc1 103182110 XOZNCLAMAQOEAU-DLBZAZTESA-N 369.530 4.705 0 1 FJAF CC(=O)Nc1cc(C(=O)O)cc(OCc2ccccc2)c1-c1ccccc1 169343298 HBUNAFIIFZFMLV-UHFFFAOYSA-N 361.397 4.589 0 1 FJAF OCc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 586895344 XLXWEHNEWZFSNT-UHFFFAOYSA-N 360.257 4.760 0 1 FJAF O[C@H]1C[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586905046 XPYIEYAPSYNUET-BONVTDFDSA-N 352.743 4.804 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(CCSCc3ccc(C)cc3)nc2c1 586970142 HGDMFWAQJSULPH-UHFFFAOYSA-N 374.893 4.787 0 1 FJAF Cc1cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Cl 587079608 JJULNJZGZWWBPP-AWEZNQCLSA-N 359.260 4.902 0 1 FJAF Cc1ccc(-c2cc(-c3nc4cnncc4[nH]3)c3cccc(Cl)c3n2)o1 587083182 JNLJJYGVKDEEPC-UHFFFAOYSA-N 361.792 4.790 0 1 FJAF CCOC(=O)/C=C(\C)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587099332 ZQPHUEDBMOLWJE-SDNWHVSQSA-N 357.409 4.721 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc12 587116510 ZXDPCDOEIZADAU-UHFFFAOYSA-N 363.730 4.549 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc3ccccc3cc2[nH]1 587234069 ZZNBWLORLZTEKO-HOTGVXAUSA-N 351.450 4.877 0 1 FJAF CC(C)COCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347033 KSUNCKLSWBLQOP-IRLDBZIGSA-N 372.436 4.712 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)c(Cl)cc41)[C@@H](C2)C3=O 587423579 WAKQUBHORREBOR-ORAYPTAESA-N 361.224 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)c(Cl)cc1Cl)[C@@H](C2)C3=O 587424647 QYEJXVCSARLMPB-BBATYDOGSA-N 367.203 4.804 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)cc1F)CC2=O 587465323 HJNLNBGWPKOMLL-QGZVFWFLSA-N 366.335 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3nc(C)ccc3o1)CC2=O 587480665 DUPSWOGUEIJSTE-OAQYLSRUSA-N 351.402 4.675 0 1 FJAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1Cc1ccccc1 587516825 FEHUKVIKHGDILN-MZNJEOGPSA-N 361.485 4.564 0 1 FJAF Cn1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587579149 SSAOHKFOAAERCR-NFBKMPQASA-N 371.392 4.587 0 1 FJAF COc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C 587805575 GJJMJEDGYVAKOK-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(O)cc2)N1 587835264 VWXAWDKTTIULOU-KDXHWZMMSA-N 362.242 4.583 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(O)cc4[nH]3)c2C)c(OC)c1 587929053 LASIHXONUKRLCJ-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1ccc(F)cc1 653887491 GLOJXKHRBBEESB-MDNUFGMLSA-N 358.416 4.966 0 1 FJAF Cc1ccc(C[C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1 961744603 ACZUCZKXROCLLD-LJQANCHMSA-N 356.307 4.894 0 1 FJAF C[C@@]1(c2cccc(S)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696992 HIOSSVRCZKQMNQ-FOIQADDNSA-N 359.535 4.742 0 1 FJAF CC(C)n1ncc2c(C(=N)Nc3cccnc3)cc(-c3cccs3)nc21 1772601043 DMNZWLRSRPDEJK-UHFFFAOYSA-N 362.462 4.573 0 1 FJAF COc1ccc(-c2cccc(F)c2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772636105 ONEDBRXKIKBOTF-KRWDZBQOSA-N 371.433 4.873 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]21C 2356598303 LVEQJEMTPJQUOC-HZBGMECBSA-N 374.477 4.679 0 1 FJAF CC(C)=CCC[C@@H](C)c1cc(C(=O)NCCc2ccc(O)cc2)c(N)s1 103054474 TUCGNTCNIIJFCK-OAHLLOKOSA-N 372.534 4.858 0 3 FJAF Cc1nc2ccc(NC(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2nc1C 1096432 FFWJEVKOXXFKMM-KKSFZXQISA-N 352.482 4.679 0 1 FJAF CCCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2C 5510666 UDNUCVYCLQJJBY-XPWALMASSA-N 357.538 4.846 0 1 FJAF Fc1ccc([C@@H](Oc2ccc(C(F)(F)F)cc2)[C@H]2CCCNC2)cc1 13530724 GGOSQACPTXPREV-KBXCAEBGSA-N 353.359 4.964 0 1 FJAF CC[C@]1(CC(=O)O)OC[C@H](CCc2ccccc2)c2c1[nH]c1ccccc21 26279800 OKYZYOJSCGIDNM-GAJHUEQPSA-N 363.457 4.995 0 1 FJAF COc1cc(N[C@@H](C)CCCN)c2nccc(C)c2c1Oc1ccccc1 40465171 GAHXOAGMKXAKSA-INIZCTEOSA-N 365.477 4.883 0 1 FJAF COC(=O)/C=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 78522035 AQJDWVJQNYDHGA-GWPQOYLKSA-N 360.538 4.735 0 1 FJAF O[C@@H](c1nnc(Nc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 82078139 BMVHFCBWTFFNPW-CYBMUJFWSA-N 357.401 4.914 0 1 FJAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)oc1C 82175678 MSRAMLBBSCKONP-UHFFFAOYSA-N 352.413 4.545 0 1 FJAF O=C1C[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@@H]2N1 96929572 FLOVARDSPJUOHV-PWRODBHTSA-N 368.908 4.714 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CCN4C(=O)C=CCC[C@]34C)[C@@H]1CC=C2c1cccnc1 144218520 ICJJJPIZCXFDIP-KXYIPDGISA-N 362.517 4.858 0 1 FJAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@@H]1c1ccc(Cl)cc1 169299340 RZDDIZYQUPEAAW-HKUYNNGSSA-N 374.893 4.632 0 1 FJAF O=S1C(c2ccc(O)cc2Cl)=CC=C1c1ccc(O)cc1Cl 584905475 YOPQDLAJQVMTRC-UHFFFAOYSA-N 353.226 4.549 0 1 FJAF in-vitro Cc1c(Cl)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587125969 ICRKHJBSWKQXOP-KRTXAFLBSA-N 369.778 4.696 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587127252 UTIDATWLELBGRP-PELKAZGASA-N 369.778 4.696 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(C)nc3[nH]2)c1 587196466 WIBZCTFTBMOFDI-UHFFFAOYSA-N 352.438 4.613 0 1 FJAF COc1cccc(-c2cc([C@@H](C)NC(C)=O)nc3c2oc2ccccc23)c1 587359776 HZSZVMGHGWVZLJ-CYBMUJFWSA-N 360.413 4.854 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Cl)c1Br)O2 587378553 VLQVHDRHCCXFHJ-AWEZNQCLSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1cccc(C(F)(F)F)c1)O2 587382846 TUXNELOQFFEPNJ-IBGZPJMESA-N 363.379 4.953 0 1 FJAF CCCN(CCC)c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587385609 DJZBIBAZZNSYII-NRFANRHFSA-N 352.478 4.910 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2N=O 587505415 MALGNQQUAFEIHQ-SAIGTISXSA-N 353.462 4.861 0 1 FJAF Cc1ccc(-n2cccn2)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517599 QLRYAQZLOJCSIV-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cccnc12 587587784 PUOITZAOJJNKQJ-CVDCTZTESA-N 369.376 4.643 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587778817 UPGKLYAYEAJGAO-UHFFFAOYSA-N 366.339 4.926 0 1 FJAF Oc1nc2cc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3cc2[nH]1 587956365 YLWSTZSBQHXIPO-MRXNPFEDSA-N 354.413 4.519 0 1 FJAF CCCCSc1ncc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cn1 963118586 ZSUBOUUBZGTMOH-APWZRJJASA-N 357.498 4.618 0 1 FJAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(C(F)(F)F)cc3)c2n1 1857584924 XIPBCWXIPSMOIU-UHFFFAOYSA-N 363.339 4.569 0 1 FJAF COc1cc(-c2c(-c3ccc(SC)cc3)cnn2C)cc(OC)c1OC 1857775352 RMMZDBPAMRUEGW-UHFFFAOYSA-N 370.474 4.502 0 1 FJAF C[C@]12CC[C@H]3[C@](C)(CCC[C@@]3(C)C(=O)O)[C@@H]1CC[C@](C)(C(O)=CO)O2 2356764690 DEWLHZQVWXKVNO-IWUPOPMTSA-N 352.471 4.579 0 1 FJAF CCCn1c(NC(=O)Cc2ccc(Cl)cc2)nc2ccc(Cl)cc21 2382217804 AWOUINKJONNTJW-UHFFFAOYSA-N 362.260 4.934 0 1 FJAF O=C(O)CSc1ncnc2cc(-c3ccc(Cl)c(Cl)c3)sc12 2382231579 NPJLPWQSNHXMCS-UHFFFAOYSA-N 371.270 4.842 0 1 FJAF C=C[C@]1(C)CC[C@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@@H]1N=C=S 14422160 NQEQFUOQGBHGNH-LTBCBRHQSA-N 350.487 4.757 0 1 FJAF biogenic CCC(=O)N(c1ccccc1)[C@H]1CCCN(CCc2ccccc2)CC1 28004302 DJCBYHBSPDXQNT-QFIPXVFZSA-N 350.506 4.527 0 1 FJAF Cc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 28825433 FIYZCZVBIXLYNG-DFNIBXOVSA-N 370.518 4.825 0 1 FJAF O=C(CCc1ccc(-c2ccccc2)cc1)c1nnc(-c2ccccn2)o1 40877850 PUEPFOLUHNYZSB-UHFFFAOYSA-N 355.397 4.614 0 1 FJAF O=C(Nc1ncc(C(F)(F)F)o1)C1c2ccccc2Oc2ccccc21 40954248 UYFCZMCSHUMDIF-UHFFFAOYSA-N 360.291 4.570 0 1 FJAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@@]23CCN1CCOc1ccccc1 100846300 ANPFDZVJMUWEGU-RBZQAINGSA-N 363.501 4.530 0 1 FJAF C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2c1cccnc1)[C@H]1C[C@@H]1C1=CC(=O)NCC[C@@]13C 148066572 NGPGHBZFVCFLRH-KAJCCYLZSA-N 374.528 4.620 0 1 FJAF CCCCNc1c(-c2cccc(O)c2)nc2ccc(Br)cn12 169326573 QSXBXALKAZZRKQ-UHFFFAOYSA-N 360.255 4.681 0 1 FJAF Clc1ccccc1Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1 203003891 FUUIYHGRTFEBKO-UHFFFAOYSA-N 361.236 4.871 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586882720 AMMIUTJXUSCKPY-DGIRIXITSA-N 366.690 4.842 0 1 FJAF Fc1cc(Br)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586902761 BZLOTHDZCPOXSX-UHFFFAOYSA-N 359.198 4.996 0 1 FJAF CCOC(=O)[C@@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587105585 AFAVLUYDOODHII-GOSISDBHSA-N 355.393 4.510 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O 587423991 MVEZSFPJBLGAQS-IFXJQAMLSA-N 362.397 4.673 0 1 FJAF Cc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1C 587639086 VFXRFGRWKBPOHZ-UHFFFAOYSA-N 361.319 4.733 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Cl)N1 587699596 STIIDJMALMNYTD-FVMDXXJSSA-N 354.650 4.865 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587717338 FWDTYJIHIJHZLL-QPFGOUBPSA-N 370.212 4.798 0 1 FJAF CCC[C@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774970 OZAXXCQRJTWOMJ-KZULUSFZSA-N 363.274 4.561 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ccc23)N1 587803457 PZDJOTYFBCLOFG-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF Cc1cccc(OC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803811 XZUMMZXASOMMKK-WBMJQRKESA-N 364.258 4.551 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816599 AZJVPXBYQHIBCR-FKIZINRSSA-N 374.297 4.929 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCCN(C(=O)OC(C)(C)C)C2 963236917 YHCAWBDCRUUWKE-HTAPYJJXSA-N 358.526 4.569 0 1 FJAF CCOC(=O)c1cc2c([nH]c3ccc(C)cc32)c(-c2ccc(OC)cc2)n1 1857549142 CKUBCJPNFRGNIX-UHFFFAOYSA-N 360.413 4.877 0 1 FJAF CC1=C[C@H](CNC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356300221 CABBCXQNNORPAF-XUVXKRRUSA-N 368.525 4.527 0 1 FJAF C[C@H]1Cc2[nH]nc(-c3cccs3)c2CN1C(=O)Nc1cccc(Cl)c1 2382218565 FVLQZROPPVMISZ-NSHDSACASA-N 372.881 4.770 0 1 FJAF O=C1/C(=C/c2ccccc2)NC(=S)N1C(c1ccccc1)c1ccccc1 1017474 MKUZAQYYPKTASX-SILNSSARSA-N 370.477 4.534 0 3 FJAF Cc1ccnc(NC(=O)c2cccc(NC(=O)c3ccccc3Cl)c2)c1 4631117 AKIBIEBQSHJFHU-UHFFFAOYSA-N 365.820 4.548 0 3 FJAF O=C(O)c1cc2c(F)c(O)ccc2n1Cc1ccc(Cl)c(Cl)c1 589206 XVJRJCHFAPOINJ-UHFFFAOYSA-N 354.164 4.539 0 1 FJAF CCCCc1noc(-c2ccc(C(=O)NC[C@@H]3CCCC3(C)C)cc2)n1 1548802 MXHSFPJPOSZOQI-KRWDZBQOSA-N 355.482 4.635 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CC[C@@H]2CCCCN2)cc1 13780280 OJXMFPOBPZXOPS-KRWDZBQOSA-N 369.896 4.801 0 1 FJAF CC1CCN(CC[C@@H](C)[C@H](C)S(=O)(=O)c2cccc3ccccc23)CC1 27644149 UQALZKIHWMCAMT-MOPGFXCFSA-N 373.562 4.760 0 1 FJAF Cc1ccccc1Oc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)O)cc1 28520780 KCCUFQLLLSRATN-HKWRFOASSA-N 373.408 4.643 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OC4CCCCC4)c3)c12 28885129 FIRYAPBXIANMDQ-UHFFFAOYSA-N 362.477 4.958 0 1 FJAF O=c1ccc2c(OCCCOCc3ccccc3)c3ccoc3cc2o1 34640714 OZTVPDKZPOLUQI-UHFFFAOYSA-N 350.370 4.525 0 1 FJAF CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CC1 71318441 NQUGQFFOHDQSRF-DKZVUGQWSA-N 367.562 4.806 0 1 FJAF COC(=O)c1ccc(Cc2ccc(-c3cc(=O)c4ccccc4[nH]3)cc2)cc1 84668806 PXUSAWUNNXTSRG-UHFFFAOYSA-N 369.420 4.573 0 1 FJAF Cc1cc(OCCNC2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1 95554795 KOTNWYCQGHEGPV-UHFFFAOYSA-N 368.308 4.789 0 1 FJAF CCCOC[C@]12C[C@@H]3[C@@H](C)CC[C@@H]3[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 100821833 KTOIBDJFGACHCW-LLUVTLSNSA-N 371.521 4.662 0 1 FJAF CC(C)COc1ncccc1-c1ccc(-c2cnc3[nH]ccc3n2)c(F)c1 224794633 REZRZRNDKLJZEX-UHFFFAOYSA-N 362.408 4.861 0 1 FJAF COc1ccc(-c2nnc(-c3ccc4nc(C(C)(C)Cl)[nH]c4c3)o2)cc1 587008220 LYOAMRMGSNHKPL-UHFFFAOYSA-N 368.824 4.762 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(F)c(F)c2[nH]1 587044787 RUXFDBUKBVUWSM-UHFFFAOYSA-N 359.159 4.832 0 1 FJAF Clc1cccc(Cl)c1[C@H]1C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587052132 WRCQMSRXAWQJDS-VHSXEESVSA-N 361.228 4.912 0 1 FJAF Cc1cc(Cl)cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587073589 KAHCPMDGWZILRD-UHFFFAOYSA-N 372.259 4.793 0 1 FJAF CCn1ncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587096613 IKPSBPBZXVXXEV-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF COc1cccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587124432 WZNHTTZSUIEWJW-UHFFFAOYSA-N 368.380 4.904 0 1 FJAF COc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cn1 587126618 ZYUDVEYUGDGROZ-QPJJXVBHSA-N 351.353 4.749 0 1 FJAF Fc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182208 FQZNRPCZMXJGJX-UHFFFAOYSA-N 372.568 4.627 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587194689 ACBWEZZWOLPBIP-JTQLQIEISA-N 362.246 4.682 0 1 FJAF CC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1Br 587208356 QTXONJXURFUMEZ-UHFFFAOYSA-N 367.246 4.721 0 1 FJAF COc1cc2c3c(c1)O[C@H](CCc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587445051 HJFLLZGADUMDNF-RTBURBONSA-N 350.458 4.742 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(Cl)c(N)c1)CC2=O 587460495 NEJMKAPELHNNLX-HXUWFJFHSA-N 359.853 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3c1NCCC3)CC2=O 587479491 CKDSIXVPOFGMOG-QFIPXVFZSA-N 351.446 4.583 0 1 FJAF C[C@]1(c2ccccc2-n2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517326 KXQHSFMPSHVQSI-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF COCCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526760 ZXEYKYBTIAZREU-QFIPXVFZSA-N 366.457 4.687 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827589 KZLKBRJMNULWKR-HKXICLBPSA-N 352.291 4.774 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(C3CC3)n2)N1 587850968 GYGOSVHHMNIKMY-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3ccc4ncoc4c3)nc(C)n2)c1 653666681 FGKBZELTNSWZNS-ZDUSSCGKSA-N 360.417 4.775 0 1 FJAF Cc1cc(Cl)c(C)c([C@]2(C)NCCc3c(C(=O)O)cccc32)c1Cl 963130597 KRBXVSZDHKAVDP-LJQANCHMSA-N 364.272 4.718 0 1 FJAF C[C@@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccccc3)nc21 1857618718 CPIKYLDPWPXEPT-AWEZNQCLSA-N 369.403 4.790 0 1 FJAF Cc1csc(NC(=O)c2ccc(COc3ccccc3Cl)cc2)n1 1857656126 VNIAFXBXTRDXMQ-UHFFFAOYSA-N 358.850 4.936 0 1 FJAF Oc1cccc(N[C@H](c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)c1 6914956 YWNPWMATZXXBDL-LJQANCHMSA-N 361.376 4.783 0 1 FJAF CCC[C@@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 17991414 HCFFAIZSNVOHSY-UNMCSNQZSA-N 368.498 4.543 0 1 FJAF CCCCc1nc2ccc(Cl)cc2c2nc(-c3ccc(OC)cc3)nn12 27210015 RJBNBAZSSSSPMS-UHFFFAOYSA-N 366.852 4.949 0 1 FJAF CS(=O)(=O)c1ccc(-c2nc3ccccc3cc2-c2ccccc2)cc1 45366712 OPLJPOZQZWTQDV-UHFFFAOYSA-N 359.450 4.972 0 1 FJAF in-vivo Cc1ccccc1COc1c(-c2ccccc2)oc2cc(O)cc(O)c2c1=O 64512534 UXBVBCVZYWCHKA-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF FC(F)(F)Oc1ccc(Nc2cc(-c3ccnc4[nH]ccc34)ncn2)cc1 64540337 ROHKFCDNADXUJY-UHFFFAOYSA-N 371.322 4.662 0 1 FJAF O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@H](O)CO 95559901 ZWEBYMYJDLNXNN-VQTJNVASSA-N 354.531 4.530 0 1 FJAF biogenic CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc(C(C)C)cn3)C2)cc1 96172924 YHHFRNVUDPWTHB-MRXNPFEDSA-N 352.478 4.555 0 1 FJAF Cc1cccc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2Cl)c1 103194970 WGUKDNDGHSMYFM-LJQANCHMSA-N 354.862 4.975 0 1 FJAF Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1[C@@H](N)c1ccccc1Cl 148890257 JLVMAEWBWUMRKB-SFHVURJKSA-N 373.287 4.808 0 1 FJAF O=C(Nc1cc(Cl)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1 218401116 YBQHFZNBCISVBS-UHFFFAOYSA-N 358.825 4.526 0 1 FJAF C[C@H]1C[C@@H](C)CN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)C1 299831254 JADDVLOFVZYCHV-IYBDPMFKSA-N 364.468 4.863 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)c(F)cc3[nH]2)cc1 586889721 MQDSRCUILLVTKS-QFYYESIMSA-N 363.230 4.610 0 1 FJAF CC(C)c1cc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(O)c(C(C)C)c1 586896857 RQPLJMLVFYJITR-UHFFFAOYSA-N 364.371 4.943 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586897973 CAJVZTOHAIRPSK-UHFFFAOYSA-N 366.323 4.924 0 1 FJAF CCOC(=O)CCCc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096775 HAOFMXNSBSQUGA-UHFFFAOYSA-N 359.425 4.640 0 1 FJAF Cc1ccc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587129158 SLKMPHQGEKODAH-LURJTMIESA-N 361.730 4.601 0 1 FJAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)cc(Cl)c4[nH]3)c2)cc1 587165190 MGKKIMXYIRODNR-UHFFFAOYSA-N 361.207 4.921 0 1 FJAF O=C(O)c1csc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209916 WYBFJLBYCYXQCU-UHFFFAOYSA-N 357.390 4.873 0 1 FJAF COc1cccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587404048 UEZXCXTXMZXHBU-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(O)c(C(C)C)c1)(C(C)C)O2 587404436 QFQMVKMNRMLUGL-QFIPXVFZSA-N 353.462 4.923 0 1 FJAF CCCc1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587624003 VNGHZMJVCZAVJM-UHFFFAOYSA-N 355.239 4.821 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC3)N1 587824792 YPFRWBKKWGGFFN-WYRIXSBYSA-N 360.270 4.701 0 1 FJAF CC(C)c1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856754 XREVHYAGNHVDJK-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C1CCN(C)CC1 587860338 UDCWBLYTXRKBHP-UHFFFAOYSA-N 354.281 4.522 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Oc1ccccc1 587862772 IOAOUAUKNDCOCJ-UHFFFAOYSA-N 362.307 4.625 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccccc1CC 587872212 KKHXXLVCZBPJLH-UHFFFAOYSA-N 369.465 4.895 0 1 FJAF COc1ccc2c(c1OC)[C@@](c1ccc(F)c(F)c1)(C1CC1)N(C)[C@H](C)C2 962568191 DNTPPHSZGRXLRP-DMZKTXOQSA-N 373.443 4.512 0 1 FJAF Nc1cccc2c1[C@]1(c3ccccc3-2)c2c(F)cccc2C[C@H]2CCCN21 963102649 FYJOLMGZDUHHSI-GYCJOSAFSA-N 356.444 4.701 0 1 FJAF CC(=O)N(CCc1cn(C)c2ccccc12)Cc1cccc2ccccc12 1772619421 JFDXRHHCKXRMRA-UHFFFAOYSA-N 356.469 4.923 0 1 FJAF c1ccc2cc(-c3nnc(N4CCCC4)cc3-c3ccncc3)ccc2c1 1911577226 ONTJUROYWGHGGB-UHFFFAOYSA-N 352.441 4.959 0 1 FJAF O=CNc1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1 3164998 NDYGGZIETZUUGQ-UHFFFAOYSA-N 369.313 4.900 0 3 FJAF CC(=O)c1ccc(Nc2nc([C@H](N)Cc3ccc(Cl)cc3)cs2)cc1 61904432 PRFCIRPNGDZFCD-QGZVFWFLSA-N 371.893 4.985 0 3 FJAF COc1cccc2c(CCC3CCN(Cc4ccccc4)CC3)noc12 605783 LYTYXHJYOPFOCO-UHFFFAOYSA-N 350.462 4.681 0 1 FJAF CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n[nH]c12 13445048 PFOWSLLDWRYPFD-UHFFFAOYSA-N 351.498 4.880 0 1 FJAF CCN(CC)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12 27900433 HYDDSIVHZOMESG-RTBURBONSA-N 358.551 4.555 0 1 FJAF CCCCC[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 28817200 ISMQETOPKPOUMN-QHCPKHFHSA-N 366.549 4.750 0 1 FJAF Fc1ccc(N2CCN(CCCSc3ccc(Cl)cc3)CC2)cc1 28886573 IVUJVGPROFACMG-UHFFFAOYSA-N 364.917 4.784 0 1 FJAF CC(=O)N[C@H](c1nc2ccccc2n1Cc1cccc(Cl)c1)C(C)C 72119876 BFNZFRIUSSNNRO-IBGZPJMESA-N 355.869 4.571 0 1 FJAF O=C(c1nc(-c2ccccc2Cl)c2cc(Cl)ccc2n1)N1CCCC1 84688847 WKSFONTYINLWIJ-UHFFFAOYSA-N 372.255 4.840 0 1 FJAF O=C(N[C@H]1CC12CCN(c1ccccc1)CC2)c1ccc(F)c2ccccc12 95573025 LNTTUVPYVFRFTF-QFIPXVFZSA-N 374.459 4.768 0 1 FJAF CCO[C@@H](CC(C)C)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1OC 95910662 JZJAUZDXYVTXQG-INIZCTEOSA-N 364.482 4.941 0 1 FJAF biogenic,in-vitro Cc1ccc(-c2ccn(Cc3cccc(OCc4ccccc4)c3)n2)cn1 100090339 FWBUXENHVGVUOG-UHFFFAOYSA-N 355.441 4.881 0 1 FJAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4cccs4)s1)CN32 100884211 BLOLSIOUOOBUTD-AIUUYIHCSA-N 371.527 4.516 0 1 FJAF O=C(c1ccc2c(c1)ncn2-c1ccc(C(F)(F)F)cc1)N1CCCCC1 103226069 YWORHRDEUPSAIG-UHFFFAOYSA-N 373.378 4.670 0 1 FJAF COc1cccc(Nc2nc3cccc(-c4c(F)cccc4OC)c3o2)n1 169326145 LRHLPBFCDHGQOT-UHFFFAOYSA-N 365.364 4.790 0 1 FJAF CC(=O)OCC1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238740202 BPNHQUDTVYQGKS-UHNHAYRVSA-N 360.494 4.583 0 1 FJAF S=C(Nc1ccccc1)N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1 299830399 WNXNJWKZYPSLCX-HXUWFJFHSA-N 372.497 4.833 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(F)c1C3 586988735 OZDVRXHBKWOAQK-UHFFFAOYSA-N 353.352 4.862 0 1 FJAF Cc1onc(-c2nc3cc(F)ccc3[nH]2)c1COc1ccc(Cl)cc1 587076411 SFSIHSQEQLRPIS-UHFFFAOYSA-N 357.772 4.898 0 1 FJAF NC(=O)Nc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587102868 ADMYLBOYCZLGTM-UHFFFAOYSA-N 365.392 4.604 0 1 FJAF Oc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587121983 IGRTYNVINJGZTL-UHFFFAOYSA-N 354.353 4.601 0 1 FJAF N=c1[nH]c2c(s1)-c1nc3cccc4c3c(c1[C@H](c1ccccc1)C2)CC4 587360405 NCRDCXBZXAZZPC-HNNXBMFYSA-N 355.466 4.557 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Cl)c1Br)O2 587378554 VLQVHDRHCCXFHJ-CQSZACIVSA-N 366.642 4.700 0 1 FJAF CC(C)CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602027 IDQLHYRFGUGURY-KNQAVFIVSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc3ccccc23)N1 587776787 DLZAFRVEPBBFFV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CC3)s2)N1 587856173 WJPXVWNITIGQOR-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF CCOc1ccc2nc(-n3nc4cc3Oc3ccc(F)cc3-4)sc2c1 587876221 MNGAIWRUDXEUGH-UHFFFAOYSA-N 353.378 4.793 0 1 FJAF CCCCOc1cccc([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1 962625417 MHDQNUSCCMGHKZ-AOMKIAJQSA-N 369.505 4.849 0 1 FJAF O=C1CCC[C@H]1[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1ccco1 962708648 JIRDJCMPCPIWPW-DYVFJYSZSA-N 369.408 4.526 0 1 FJAF Cc1cc([C@@]2(C)NCCc3cc(Cl)ccc32)ccc1Br 963390191 GPCMOJRZWOEDRA-QGZVFWFLSA-N 350.687 4.820 0 1 FJAF C[C@@H](CN(C)c1nc(-c2cccnc2)nc2ccccc12)Oc1ccccc1 1857586373 QMFLTXUCJGWEFN-KRWDZBQOSA-N 370.456 4.596 0 1 FJAF COc1cccc(O[C@]2(C)CCN(Cc3ccc(-c4ccccn4)cc3)C2)c1 61906845 CKUOMXWVTQUEIX-XMMPIXPASA-N 374.484 4.801 0 3 FJAF Fc1cc(OCCNCCCc2c[nH]c3ccc(F)cc23)c2occc2c1 13581115 XWCDDZAVVYXKCC-UHFFFAOYSA-N 370.399 4.794 0 1 FJAF Cc1c(C)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2oc1=O 13835586 NNYJYLXVTQSZGF-UHFFFAOYSA-N 364.319 4.887 0 1 FJAF C/C1=C/C[C@@H](OC(=O)c2ccc(O)cc2)/C(C)=C/[C@H](O)C(C)(C)CCC1 14441598 JDZBITULCWBIMC-WUJVYGQUSA-N 358.478 4.771 0 1 FJAF COC(=O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 34770348 GCZQXRVRKJJMBD-ATUDNIAQSA-N 356.506 4.720 0 1 FJAF biogenic C[C@H]1C[C@H]2N(C)C(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 34801437 SYCPRHSKXPRURM-WTGLANSHSA-N 359.554 4.645 0 1 FJAF O=C(c1cnccc1Oc1ccccc1)N1CCN(C2CC2)c2ccccc21 95577683 XMOWMTQPHWWPJS-UHFFFAOYSA-N 371.440 4.503 0 1 FJAF O=C(Nc1ccccc1)N1C[C@H](Cc2ccccc2)C(c2ccccc2)=N1 95578882 ZMNUYNSZJGYBBQ-FQEVSTJZSA-N 355.441 4.797 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccc(O)cc4)cc3)c12 96168237 GVDHOSCDYHBJNM-UHFFFAOYSA-N 372.428 4.744 0 1 FJAF O=C(Nc1ccccc1/C=C/C=C1\SC(=S)N=C1O)c1ccccc1 96906489 KZADDZRUGNCLPF-GPIDLQMLSA-N 366.467 4.824 0 1 FJAF COc1cccc(C(=O)Nc2cc(Cl)cc3c4cc[nH]cc-4nc23)c1 100958113 ARGBFDDPBUYIBJ-UHFFFAOYSA-N 351.793 4.582 0 1 FJAF CC(=O)OC[C@]1(C)CC[C@@H](C(C)C)/C=C/[C@](C)(O)CC/C=C(\C)CC1=O 166203907 BHSGVCGSYDQSIG-IGDGBHMMSA-N 364.526 4.615 0 1 FJAF Clc1cc(Nc2n[nH]c3cccnc23)ccc1OCc1ccccc1 167041697 RVEIPERWACOAFV-UHFFFAOYSA-N 350.809 4.934 0 1 FJAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(F)cc4)oc3c2)[C@@H]1C 168830394 NTTDAHBIGZYCNS-MLGOLLRUSA-N 365.408 4.520 0 1 FJAF CCCC[C@@H]1CC(c2ccc3nc(-c4cccs4)oc3c2)=NNC1=O 168860923 DNEXTNAXDJJBFW-CYBMUJFWSA-N 353.447 4.587 0 1 FJAF CO[C@@H]1C[C@@H]2C[C@@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169340423 BLHLYSLDSMMWFB-MLBCHFTJSA-N 371.908 4.696 0 1 FJAF Fc1c(Br)ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586886363 FXLWKLZGIKDDSP-XIKOKIGWSA-N 357.226 4.836 0 1 FJAF CCOC(=O)Cc1ccc2nc(CSc3ccc(C)cc3C)[nH]c2c1 586965246 USQHFUCPWVKHRR-UHFFFAOYSA-N 354.475 4.578 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccc(F)c3O)nc3ccc(O)c1c23 586985868 GWGABQTXZVAWOY-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF N=c1[nH]c(-c2cccc(-c3nc4ccc(Br)cc4[nH]3)c2)cs1 587022036 SWUJOFHIHPPLIG-UHFFFAOYSA-N 371.263 4.528 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587069867 LJFCVVBRSVDIRB-SNVBAGLBSA-N 371.765 4.659 0 1 FJAF Cc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1C 587081526 BMXHUCZYRJPRLO-UHFFFAOYSA-N 352.825 4.733 0 1 FJAF Clc1cc2ccc(-c3nc4ccc(Br)nc4[nH]3)cc2cn1 587085090 NSJBZVFTOHHNPH-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF C[C@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587097174 GAAYBTATRNRYFE-QMMMGPOBSA-N 370.172 4.891 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)nccc3[nH]2)c(F)c1 587144695 NNWDZQGLVMBZID-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF CC(C)(C)c1ccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156628 OKFLTVRHRVFVLV-NRFANRHFSA-N 351.425 4.791 0 1 FJAF Cc1cc2[nH]c(-c3cc(F)ccc3-n3cnc4ccccc43)nc2c(C)n1 587159068 LXTLQRMQHLSEQQ-UHFFFAOYSA-N 357.392 4.720 0 1 FJAF CC(C)(C)c1ccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175982 YZGGEAFSFJALGH-MRXNPFEDSA-N 350.441 4.723 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(Br)cc3[nH]2)c1 587241970 MJQOLPNSEXZEEP-UHFFFAOYSA-N 372.266 4.977 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cnc(C4CCCCC4)s1)[C@@H](C2)C3=O 587449447 AOSWAEQCXHDXSN-IFXJQAMLSA-N 355.459 4.688 0 1 FJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2ccccc12 587588856 MGLGDZSAMBSNFU-AUSIDOKSSA-N 371.392 4.885 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(F)cccc3F)c2c1 587643441 ULWIOSMACKWBEQ-NSHDSACASA-N 371.383 4.977 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)c(F)c(F)c1 587657917 DMMDMBNAKCBUOT-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC3)N1 587824790 YPFRWBKKWGGFFN-NSPYISDASA-N 360.270 4.701 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS[C@H](C(C)(C)C)C2)N1 587854185 BRFCCUBFRFCIID-PGQWDYDZSA-N 372.347 4.869 0 1 FJAF Cc1cc(=O)oc2cc(OCC(=O)c3ccc(C(C)(C)C)cc3)ccc12 653732533 UVLUUKAAGFWXHK-UHFFFAOYSA-N 350.414 4.661 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2-c2ccncc2)N1 962955608 MTDNIRAFYHZLHE-OPAMFIHVSA-N 354.457 4.639 0 1 FJAF CCC(C)(C)[C@@]1(c2cccc(C)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963036374 XJUSWYBTKOISMY-OSPHWJPCSA-N 362.517 4.728 0 1 FJAF Cc1csc(NC(=O)c2ccc(CNc3ccc(Cl)cc3)cc2)n1 1857649411 QHWTUKKWKMORTI-UHFFFAOYSA-N 357.866 4.969 0 1 FJAF COc1cc([C@@H]2C[C@@H]3O[C@@H](C)[C@@H](C)c4c(C)c(O)cc(c43)O2)ccc1O 2356557632 VLLDKCORIPYEDM-BKBGTVLJSA-N 356.418 4.502 0 1 FJAF COc1cccc([C@](C)(O)c2nc(-c3cc4ccccc4o3)cs2)c1 61896059 RGEXIMVHKWCYQK-FQEVSTJZSA-N 351.427 4.821 0 3 FJAF CCCC[C@@H](C)/C=C1\CN2CCC[C@H]2[C@@](C)(OCc2ccccc2)[C@@H]1O 6001600 OQYDSVGYSHAEGF-HZGJPHOCSA-N 357.538 4.554 0 1 FJAF CCN1CCc2cc(Cl)cc([C@H](c3ccc(F)cc3)n3ccnc3)c21 13489547 ZZVWJQNVTDFWKN-IBGZPJMESA-N 355.844 4.696 0 1 FJAF COc1ccc2c(c1)O[C@H](c1ccc(OC)c(CC=C(C)C)c1)CC2=O 28653779 ILPSUGGEGIEBKX-NRFANRHFSA-N 352.430 4.919 0 1 FJAF COC(=O)CCCSc1nnc(-c2cccc(-c3ccccc3F)c2)o1 64416968 RJZURFUQFGUSPZ-UHFFFAOYSA-N 372.421 4.588 0 1 FJAF O=C(O)[C@@H]1CCCN(CCC=C(c2ccccc2F)c2ccccc2F)C1 66263959 DDFDSWOYYJUDPV-MRXNPFEDSA-N 371.427 4.583 0 1 FJAF COc1cccc([C@@H](C)Nc2cc(-c3cc(Cl)ccc3OC)ncn2)c1 82162340 RPDSXFDVBAPRBV-CYBMUJFWSA-N 369.852 4.987 0 1 FJAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)sc1C 82164330 CMCDRKCUAURBTF-UHFFFAOYSA-N 354.454 4.845 0 1 FJAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2ccc(O)cc21 95578334 KKQGWXPVVNVWOA-UHFFFAOYSA-N 351.352 4.744 0 1 FJAF Fc1ccc(OCCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753612 GHQBNTNSLQFLLN-IIBYNOLFSA-N 350.437 4.838 0 1 FJAF CCOc1cccc(CN2C(=O)[C@@H](C)C[C@@H]2c2c(F)cccc2OCC)c1 167582060 LWBJANYLUOJSLI-HNAYVOBHSA-N 371.452 4.733 0 1 FJAF COc1ccnc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218305879 GTGXIGFTFFYIGA-NRFANRHFSA-N 357.413 4.608 0 1 FJAF Clc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1 587016829 CTYVYYJVYKXXQX-UHFFFAOYSA-N 353.834 4.942 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587154272 BHIOJQJVMUOYLN-CQSZACIVSA-N 362.788 4.672 0 1 FJAF CCc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167471 NRBPRYGMUIQCGS-GOSISDBHSA-N 352.413 4.633 0 1 FJAF CN(C)c1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)nc1 587194942 PLEZGCCKIWBUGN-UHFFFAOYSA-N 371.469 4.968 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCC3)c(F)c1)O2 587384462 DRVMYYYUZPLWDB-QFIPXVFZSA-N 368.452 4.587 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncccc3F)o1)CC2=O 587465549 FRDBCNXOJZHLGX-LJQANCHMSA-N 367.376 4.845 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCCF)cc1)CC2=O 587466847 PDPLPQYTSCRSIC-QFIPXVFZSA-N 372.436 4.964 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@H](C)N(C)C)cc1)CC2=O 587467108 CLNHALSVVPITCA-LHSJRXKWSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(C3CCCCC3)c1)CC2=O 587475452 MCIGQNOLFYHWSC-HXUWFJFHSA-N 354.450 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@H]3CCCCO3)o1)CC2=O 587486252 XGEABPXVEXVNRJ-YLJYHZDGSA-N 356.418 4.886 0 1 FJAF CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(=O)C(F)(F)F 587622128 YJRGSXAVSVUJQP-UHFFFAOYSA-N 374.160 4.675 0 1 FJAF O=C(c1ccccc1)c1c(C(F)(F)Br)[nH]c2cc(F)ccc12 587633578 HEHMEVUUANSPIH-UHFFFAOYSA-N 368.152 4.982 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2)N1 587698310 NUOLLLBODHVYGZ-XXFAHNHDSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscc2Cl)N1 587853883 OKTZHRKBXYRLES-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587926041 GUAFCQZFHWLHGO-JTQLQIEISA-N 366.248 4.824 0 1 FJAF Cc1ccnc([C@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963110531 VTORGSXOPWHKJB-URXFXBBRSA-N 358.460 4.842 0 1 FJAF Nc1ccc2oc3nccc(NCc4ccc(Br)cc4)c3c2c1 1857645821 ZLTQXMAMGLFIDQ-UHFFFAOYSA-N 368.234 4.938 0 1 FJAF C[C@@H]1C[C@@H](C)CN([C@@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)C1 195388027 KJJLZXFTIQHXNU-DRSNIGMVSA-N 368.521 4.901 0 3 FJAF COc1cc2c(c(OC)c1OC)C1(CCCCC1)C[C@@H]2NCC=C(C)C 199724364 ASSQLQNFMGYDCX-KRWDZBQOSA-N 359.510 4.915 0 3 FJAF N[C@@H](c1cc(F)cc(F)c1)[C@@H]1CCN1C(c1ccccc1)c1ccccc1 22941573 SUUJWXLFHRQIRQ-VXKWHMMOSA-N 364.439 4.829 0 1 FJAF CC(C)Cc1ccc([C@H](C)c2nn(CN3CCCCC3)c(=S)o2)cc1 64447799 XZNNCLGZRFXGEJ-INIZCTEOSA-N 359.539 4.999 0 1 FJAF CC(C)Oc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72103327 LOZWWNIZAYJOSZ-NRFANRHFSA-N 353.849 4.806 0 1 FJAF COc1cccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)c1 72185603 SLOYQNAQMWAGNI-UHFFFAOYSA-N 362.351 4.659 0 1 FJAF O=C(Nc1cccc(F)c1)Nc1cc(C2CC2)nn1Cc1ccccc1 96273837 WLIAKLNGIGCABX-UHFFFAOYSA-N 350.397 4.592 0 1 FJAF O=c1oc2cc(OCCCOc3ccc4ccccc4c3)ccc2s1 103168241 FNHPYWICAHRXKD-UHFFFAOYSA-N 352.411 4.856 0 1 FJAF Nc1ncnc2c1[C@@H](c1ccc(Cl)cc1)c1ccc3cccnc3c1O2 103200342 RJMPBRDJPJTNAX-HNNXBMFYSA-N 360.804 4.546 0 1 FJAF CC[C@H]1O[C@@H]2C[C@@](C)(c3ccccc3)O[C@@H]2[C@H]1OCc1ccccc1F 103281954 WFENPDFTQXDYOD-AANPDWTMSA-N 356.437 4.593 0 1 FJAF CCCc1nc2ccccn2c1C(=O)NCc1ccc(-c2ccccc2)cc1 118812251 AZIKNELKKDLADG-UHFFFAOYSA-N 369.468 4.884 0 1 FJAF C[C@@H](Oc1cccc2cnccc12)c1cn(-c2ccc(Cl)cc2)nn1 142852487 DRCAQPMJXGJLRF-CYBMUJFWSA-N 350.809 4.609 0 1 FJAF OCc1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144742820 XQLNLYFEXYTLPX-FQEVSTJZSA-N 356.343 4.625 0 1 FJAF Cc1ccc2nc(-n3[nH]c(-c4ccccc4)c(-c4ccccc4)c3=O)[nH]c2c1 169730616 YRKBTEOPVVYBAP-UHFFFAOYSA-N 366.424 4.684 0 1 FJAF Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1-c1cncnc1 205947666 CHZIAMJENFGBCI-UHFFFAOYSA-N 373.334 4.603 0 1 FJAF C[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Oc5ccccc5)nc34)[nH]c21 222352987 JLBPJFGCWQRFTF-AWEZNQCLSA-N 369.424 4.869 0 1 FJAF CCCCC[C@H](C)OC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253632697 AMXGGSMKASENPO-QLICMRISSA-N 352.515 4.967 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 586918722 ZVIUZQLUSBOMAX-WZONZLPQSA-N 360.457 4.658 0 1 FJAF Cc1cccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c12 587031913 NKAUOADHDMRHTK-UHFFFAOYSA-N 369.490 4.893 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1 587089162 YOJBZPNDCVRJTI-OAHLLOKOSA-N 367.399 4.544 0 1 FJAF CC(C)CCOC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107271 RJONVMAQFPABKX-UHFFFAOYSA-N 359.425 4.578 0 1 FJAF CCC[C@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107691 TUGAEXJWTSVLSD-AWEZNQCLSA-N 359.425 4.721 0 1 FJAF Fc1cc(Cl)cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c12 587120526 MVZRDYARYMKDGQ-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF Fc1cc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)ccc1-c1ccccc1 587145305 KLXYTVOWSQFVFM-UHFFFAOYSA-N 372.325 4.720 0 1 FJAF Cc1cnc(Cl)c2[nH]c([C@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587225539 LMYPJQAZLCMDLM-CYBMUJFWSA-N 364.877 4.676 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3c(Br)cncc3[nH]2)cc1 587251145 ZLDWUDVRCMNXJK-UHFFFAOYSA-N 365.234 4.637 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1csc(-c3csc(C)n3)c1)O2 587412583 JJMQOBJWXNFHLF-IBGZPJMESA-N 370.499 4.951 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC3CC3)c1)CC2=O 587480734 PBACKJGPEKVXHP-NRFANRHFSA-N 352.430 4.840 0 1 FJAF O=C1C[C@H](c2c[nH]c3cc(Cl)ncc23)Oc2c1ccc1c2CCCC1 587496307 BEOSLUXHYCYRBY-GOSISDBHSA-N 352.821 4.802 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(CC)sc31)CC2=O 587496717 SVNYCNQGXWIUNI-HXUWFJFHSA-N 357.475 4.561 0 1 FJAF O=C1C[C@H](c2ccn(Cc3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516758 WFNDTIVPZMEAJY-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF O=C1C[C@](CCCCC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1 587535177 JEJLLHXGPMAOQI-HSZRJFAPSA-N 370.489 4.613 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CC1 587603181 NKGIDAAUHJJVFB-OFNKIYASSA-N 358.393 4.973 0 1 FJAF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1ccc(F)c(F)c1 587629686 XMXVQLCCWGKXMH-UHFFFAOYSA-N 353.727 4.621 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2F)N1 587725410 DGMQICOHQKUHJC-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824129 UQZRXMKPQVATHI-VHPWJVAPSA-N 374.297 4.948 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccc(C)o1 587858630 KWNVCGOOBIBDAL-UHFFFAOYSA-N 365.216 4.846 0 1 FJAF Cc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587873009 AMVWUFIZWLDIEU-ZDUSSCGKSA-N 352.365 4.519 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc(C(=O)O)c(F)cc4[nH]3)ccc2c1 587935325 SQNDCKVAKXERAT-LLVKDONJSA-N 364.376 4.714 0 1 FJAF CCc1sc([C@H]2NCCc3ccc(F)c(C)c32)cc1Br 962088104 CKUAQJLDWXKYPM-MRXNPFEDSA-N 354.288 4.756 0 1 FJAF Cc1c(CN2CCOCC2)cc(-c2ccc(C(F)(F)F)cc2)n1C(C)C 1857652624 IKPCZIAVXMUYJI-UHFFFAOYSA-N 366.427 4.895 0 1 FJAF O=C(Nc1ccc(F)cc1)c1sccc1Nc1cccc2c1OCO2 1857655863 PRNVEZWJSAOEKK-UHFFFAOYSA-N 356.378 4.612 0 1 FJAF COc1ccc(NC(=O)c2ccc(-c3c(C)noc3C)c3ccoc23)cc1 61930575 XLOQOHIACFOUJR-UHFFFAOYSA-N 362.385 4.966 0 3 FJAF OC[C@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(C2CCCC2)cc1 13783051 NQAJYCGJAFXJBZ-XPWALMASSA-N 350.458 4.780 0 1 FJAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(F)cc1)CCCCC3 28949181 BOYVIJXCIPOLBD-UHFFFAOYSA-N 360.479 4.577 0 1 FJAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)c3ccncc3)ncc2c1 144362669 CCJXYAPWKUBRCT-UHFFFAOYSA-N 357.388 4.997 0 1 FJAF COc1ccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)cc1 473134015 AUHXYLYVZAVYRT-JLHYYAGUSA-N 355.393 4.666 0 1 FJAF O=C(NCCCCc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1 473134776 HTSIEQBFICYQOC-UHFFFAOYSA-N 362.260 4.622 0 1 FJAF COc1cccc(/C=C/c2ccccc2N2C(=O)c3ccccc3C2=O)c1 473136295 PNEXAUQACLLQLX-BUHFOSPRSA-N 355.393 4.666 0 1 FJAF COc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1F 587166195 PDUDCKOZHMFPPJ-UHFFFAOYSA-N 353.372 4.831 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccccc32)[C@H]1c1ccc(F)cc1 587357309 MTIONBOHCZDPNQ-GMAHTHKFSA-N 374.367 4.692 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1-c1ccc(Cl)cc1)O2 587378654 DDRWYSBSMPYJNA-LJQANCHMSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(SCC(F)F)cc1)O2 587380784 ALJNEYBYZVZDGD-IBGZPJMESA-N 363.429 4.815 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1cccs1)CC2=O 587494883 NYXNBWYFQSLVKU-FQEVSTJZSA-N 367.470 4.963 0 1 FJAF O=C(O)c1cc(Cl)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498240 DFGXUGXSTQHFRV-SFHVURJKSA-N 356.805 4.624 0 1 FJAF Cn1ccc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587515995 QCRFLHQKCBCWJP-JOCHJYFZSA-N 358.441 4.672 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1 587546613 JNMMEUKUXRZPCL-PXNSSMCTSA-N 352.773 4.749 0 1 FJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603599 OBXGTTKOQNPNOH-HYBUGGRVSA-N 372.420 4.931 0 1 FJAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603912 SHUJAUZYKIEOIT-OFNKIYASSA-N 360.409 4.832 0 1 FJAF CCc1c(-c2ccc(Br)cc2F)[nH]c2c(C(=O)O)cccc12 587637570 KPSSRIZBMNHUCO-UHFFFAOYSA-N 362.198 4.997 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(c3ccccc3)C2)N1 587817526 LOMQTCHSZSSLQP-UUZUZFRQSA-N 360.270 4.895 0 1 FJAF CS[C@@H]1CCCC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587843916 KTERTAKFUMNQFD-ZXIHIIQKSA-N 358.320 4.623 0 1 FJAF CCCC/C=C/c1nc2c(Br)cnc(Br)c2[nH]1 587964901 FCEKXQPNEGINAI-AATRIKPKSA-N 359.065 4.686 0 1 FJAF CCC(=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccccc1O)O2)CC 1857769128 ATJZZFGWYRTNFA-IBGZPJMESA-N 368.429 4.799 0 1 FJAF CC(=O)OCC1=C(C(=O)O)C=CC=C[C@](C)(CCc2ccoc2)[C@H](C)CC1 2356384155 LLUXACMGLPHSNY-OPAMFIHVSA-N 372.461 4.705 0 1 FJAF CC(C)CNC(=O)C=CCCCCC=CC=Cc1ccc2c(c1)OCO2 2356581402 VGIPIHKQNLOKES-UHFFFAOYSA-N 355.478 4.874 0 1 FJAF CN(CCCc1c[nH]cn1)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1 13490250 YSBZGIJBIATWMA-FQEVSTJZSA-N 368.912 4.545 0 1 FJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1ccccc1OC 13680325 BBQCVXYXJWKGJS-UHFFFAOYSA-N 357.431 4.513 0 1 FJAF COc1ccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)cc1 13816124 ODKHICUDFJHJES-UHFFFAOYSA-N 360.417 4.522 0 1 FJAF COc1cc(NC(=O)/C=C/c2ccccc2Cl)ccc1-c1cnco1 13818706 MJEXHBRNRUHXHK-RMKNXTFCSA-N 354.793 4.656 0 1 FJAF CC[C@@]1(CC(=O)O)OC[C@@H](CCc2ccccc2)c2c1[nH]c1ccccc21 26294543 OKYZYOJSCGIDNM-HXOBKFHXSA-N 363.457 4.995 0 1 FJAF C[C@@H]1C=C2N(C)C(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388129 SSFLLJHYNMDQDP-RAAJDBLTSA-N 357.538 4.770 0 1 FJAF CC(=O)Nc1nc2nc(C3CC3)ncc2cc1-c1c(Cl)cccc1Cl 27406635 KXQRPILTTGGHHD-UHFFFAOYSA-N 373.243 4.834 0 1 FJAF Cc1ccccc1Nc1nccc(Nc2c(Cl)ccc3c2OCO3)n1 29043685 GWNOZDUVSICZMK-UHFFFAOYSA-N 354.797 4.654 0 1 FJAF C[C@H](c1ccccc1)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 29055011 OHUZVWNGXFRCDQ-OAHLLOKOSA-N 360.388 4.919 0 1 FJAF CCCC(=O)NCC[C@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 45506244 PIGKQNFHIVEDBG-VQTJNVASSA-N 351.490 4.815 0 1 FJAF FC(F)(F)c1ccc2[nH]c([C@@H]3CCN(Cc4ccsc4)C3)nc2c1 51076749 NOWYCCTVZNGESK-GFCCVEGCSA-N 351.397 4.633 0 1 FJAF biogenic Cc1ccc(C)c(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 58603764 DZEAZTRWYDUMAL-LJQANCHMSA-N 366.461 4.608 0 1 FJAF CN(CCc1ccccn1)Cc1coc(-c2ccc(Cl)cc2Cl)n1 72180774 BQKJXZIWHGHVSR-UHFFFAOYSA-N 362.260 4.718 0 1 FJAF CCCCCCOc1ccc(-n2cnnc2-c2ccc(OC)cc2)cc1 103273161 LEILFEUNKPTPQZ-UHFFFAOYSA-N 351.450 4.902 0 1 FJAF CC(C)(C)OC(=O)N1CCC(c2cc3cc(-c4cnco4)ncc3o2)CC1 215832281 ZGVCXCXGAJMRNH-UHFFFAOYSA-N 369.421 4.597 0 1 FJAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c2c1 586881469 WZCRWKKFUAEICV-UHFFFAOYSA-N 370.408 4.886 0 1 FJAF O=C1c2ccccc2-c2cc(-c3nc4ccccc4[nH]3)nc3ccc(O)c1c23 586989374 GOAGDWKXHIYHRM-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)s1 587013685 AZWZXWYHIYXOIN-QMMMGPOBSA-N 356.373 4.506 0 1 FJAF CCOC(=O)[C@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587106643 MPIUMTSAYYLCEO-DYVFJYSZSA-N 371.436 4.990 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(-c3cc(F)nc(N4CCCC4)c3)nc2c1 587177719 VVFBBPKSDYDROT-UHFFFAOYSA-N 368.309 4.522 0 1 FJAF O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)c1coc2ccccc12 587281010 ONNCORVSTQEAGS-UHFFFAOYSA-N 362.834 4.523 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(NC(=O)OC(C)(C)C)c1)O2 587392415 YUWSAYCNEDDIEW-SFHVURJKSA-N 368.433 4.631 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4ccc(C)cc4C)c1)[C@@H](C2)C3=O 587431022 LMXQXGDRYGFQBM-MBSDFSHPSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc([C@@H](C)N(C)C)c1)CC2=O 587467050 BWMVKJKRUANXLW-SZNDQCEHSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(N)c1)CC2=O 587468142 BJTIGVKSZZUOLI-DEOSSOPVSA-N 373.452 4.836 0 1 FJAF Cc1ccc([C@]2(c3nccn3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510516 ASEURJJRQHXQBB-DEOSSOPVSA-N 372.468 4.516 0 1 FJAF CCOc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527014 VVRUIYNFVFLUMW-FQEVSTJZSA-N 352.430 4.679 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cncc2ccccc12 587588124 RXUQNTAPHGBHSD-NFBKMPQASA-N 369.376 4.643 0 1 FJAF Cc1ccccc1C1CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601969 GKBMPPZTHDXKLK-DLQTWLKSSA-N 372.420 4.979 0 1 FJAF Cc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725585 FDXYSZDQRVULGE-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF Cc1cc2c(o1)CCC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834494 RVDRYVISZKKAOK-YPMLDQLKSA-N 364.258 4.604 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccccc1C 587870290 DITZTLPKGZLWSX-OAHLLOKOSA-N 368.408 4.504 0 1 FJAF Clc1cnc(Cl)c2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc12 587949734 ACOPEKBPVFLPDU-UHFFFAOYSA-N 352.265 4.750 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)ncc2[nH]1 587952365 PPFKTBYKAZRFFO-GYSYKLTISA-N 352.276 4.767 0 1 FJAF c1ccc(C[C@@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587956326 XAHSYHKHINDDEZ-SFHVURJKSA-N 356.425 4.709 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1c(C)cc(Br)cc1F)NCC2 962372076 GTBUFBUCXFQHAX-QGZVFWFLSA-N 352.222 4.579 0 1 FJAF Cc1ccc(CCN[C@@H](C(=O)Nc2ccccc2C)c2ccccc2)cc1 1857646929 MOWACYAUOVRKKS-HSZRJFAPSA-N 358.485 4.816 0 1 FJAF COc1cc(-c2cnc(-c3ccc4c(ccn4C)c3)o2)cc(OC)c1OC 1857768515 BPJNQPDOBLGBEA-UHFFFAOYSA-N 364.401 4.526 0 1 FJAF CC1=CC[C@@H](OC(=O)c2ccccc2O)C(C)=C[C@H](O)C(C)(C)CCC1 2356575511 QAKKYFVECGRUIH-UXHICEINSA-N 358.478 4.771 0 1 FJAF CC(=O)O[C@@H]1CC(C)=CCC=C2C(=O)OC[C@@H]2[C@@H]1[C@@H](C)CCC=C(C)C 2356634718 MFANFVLPLDXKAO-DVWBAYGPSA-N 360.494 4.756 0 1 FJAF COc1ccccc1-c1noc2nc(N(C)Cc3ccc(F)cc3)ccc12 206054883 KRENACVPNDUZOV-UHFFFAOYSA-N 363.392 4.674 0 3 FJAF Cc1cc(CN2CCCC2)c(C)n1Nc1ccnc2cc(Cl)ccc12 40430683 MURFQFOMMRDIIU-UHFFFAOYSA-N 354.885 4.778 0 1 FJAF Fc1cccc(Cl)c1[C@H]1C[C@H](c2cccc(Cl)c2)Nc2ncnn21 72111986 AJCWHKAAYSQCIM-HUUCEWRRSA-N 363.223 4.870 0 1 FJAF CC(C)Oc1ccc(-c2nc3cc(CCCC(=O)O)cnc3o2)cc1Cl 84669875 JZPZJFJDBMHNLH-UHFFFAOYSA-N 374.824 4.738 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Nc4ccccc4)cc3)c12 95583693 STRYLXHWGOTTGH-UHFFFAOYSA-N 355.445 4.990 0 1 FJAF CCN(CC)c1ccc2cc(-c3coc(-c4ccccc4)n3)c(=O)oc2c1 139336048 FYYXTODWMAKEOR-UHFFFAOYSA-N 360.413 4.961 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)[C@@H](OCCCN1CCCCC1)CC2 169322582 UQVPGYSXWRNIIG-NRFANRHFSA-N 354.494 4.838 0 1 FJAF C[C@@H]1CC[C@@]23C[C@]4(N=NC[C@H]4CC[C@@H]2[C@@]1(C)CCc1ccoc1)C(=O)O3 238731741 OJFOBBOSLUSWJP-PAHSBEQXSA-N 356.466 4.565 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 586909270 XRUALCKIWSOOMY-MRXNPFEDSA-N 372.424 4.723 0 1 FJAF Cc1cc(Br)c2[nH]c(C[C@@H]3OCCc4ccsc43)nc2c1 587037706 XFBIHXYILNTBDH-ZDUSSCGKSA-N 363.280 4.552 0 1 FJAF CCOC(=O)C[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105773 DUDWWWROFXCLMN-CQSZACIVSA-N 371.436 4.819 0 1 FJAF Fc1cnc(Cl)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc12 587112409 MIGSZTBHVGZKLS-UHFFFAOYSA-N 366.705 4.984 0 1 FJAF Nc1ccc(-c2ccc3nc(-c4coc5cc(F)ccc45)[nH]c3c2)cc1N 587173996 FAZJSPLZWDYHMW-UHFFFAOYSA-N 358.376 4.947 0 1 FJAF Fc1cccc2c(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)n[nH]c12 587176788 RKKUWAFDKZBPFN-UHFFFAOYSA-N 352.316 4.857 0 1 FJAF Fc1nc(Cl)ccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587177744 XHBHYWDTFNRDSU-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)c(Cl)c1)O2 587378249 TTXULSQWEGCEDH-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccccc1F)(c1ccccc1F)O2 587384671 HLWAYAQAOZHYKW-UHFFFAOYSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cnc(-c3ccccc3)s1)O2 587412086 HADMRAPXNSXVSL-HXUWFJFHSA-N 350.443 4.581 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587422867 VNLTZCCFTBQMAE-APPDUMDISA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)OC1(c4ccccc4C=Cc4ccccc41)[C@@H](C2)C3=O 587446219 AXRQUMVTLBMHSG-NRFANRHFSA-N 366.416 4.870 0 1 FJAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccccc21 587578035 PUDPAWJXZCJOAQ-NZQKXSOJSA-N 371.392 4.587 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C1CC1 587602656 KRJJKOWGYLOZAZ-QPPBQGQZSA-N 372.420 4.745 0 1 FJAF Brc1cc2n[nH]cc2c2[nH]c(C3CC3)c(-c3ccccn3)c12 587623709 MBZFBGCDEFKRQO-UHFFFAOYSA-N 353.223 4.746 0 1 FJAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587629108 URPZFXAAUCMTLJ-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF Cc1c([C@@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587639416 VLFBDNYMZKEKAN-HNNXBMFYSA-N 358.438 4.637 0 1 FJAF Cc1cccc2c1CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587818102 PVYOGCMEWMRBTI-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(O)cc2)N1 587835813 YJUKPOORYWIRGA-MEDUHNTESA-N 364.258 4.502 0 1 FJAF Clc1ccc([C@]2(c3cccs3)NCCc3nc4ccccn4c32)s1 962984655 FKVUGJWXWCDOTO-SFHVURJKSA-N 371.918 4.548 0 1 FJAF Fc1cccc2c1[C@@H](c1ccc(CN3CCCCC3)s1)N1CCC[C@@H]1C2 963109518 UYESSEKKVGOJET-VGOFRKELSA-N 370.537 4.983 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(OC)c(OC)cc1F 963236193 XTLSRVCQUFKJIU-IVZQSRNASA-N 357.469 4.763 0 1 FJAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1nnc(N(C)C)o1 1857746920 URRAZAPDWAIFTO-UHFFFAOYSA-N 362.458 4.902 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 2356643103 HIMKMNPGLLJADY-MBPVOVBZSA-N 350.499 4.578 0 1 FJAF CC1(C)Oc2cc(O)c(C(=O)c3ccccc3)c3c2[C@@H]2C[C@@](C)(CC[C@H]21)O3 2356679029 CZTBXYXCAPRLOV-GGOJBBCOSA-N 364.441 4.829 0 1 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc3ccccc3c2)O1 95602015 LXZAAEFPJWNERV-VQIMIIECSA-N 366.486 4.807 0 3 FJAF O=C1c2cc3c(cc2C[C@@]12Cc1ccc4c(c1C2=O)CCCC4)CCCC3 1855715 VQDPGHIGSDHGJY-VWLOTQADSA-N 356.465 4.608 0 1 FJAF Cc1cccc(NC(=S)Nc2ccc(NC(=O)c3ccco3)cc2)c1 3607090 QCVSRKDOEVXSQT-UHFFFAOYSA-N 351.431 4.649 0 1 FJAF Oc1nc(Nc2ccc3c(c2)OCO3)sc1/C=C1\C=Nc2ccccc21 8436438 RPZNOXIZYFABQE-YRNVUSSQSA-N 363.398 4.578 0 1 FJAF O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1ccc(C(F)(F)F)cc1 42890807 BEHURMSRUXWLET-QGZVFWFLSA-N 370.326 4.819 0 1 FJAF CCc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66251740 CFKUCOUIOSATKL-FYYJVHHASA-N 363.501 4.867 0 1 FJAF O=c1cc(-c2ccccc2)oc2ccc(N3COc4ccccc4C3)cc12 103169547 ZKYUXOKYYMLBDK-UHFFFAOYSA-N 355.393 4.817 0 1 FJAF CCCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 113169501 UDNUCVYCLQJJBY-DNVJHFABSA-N 357.538 4.846 0 1 FJAF CCCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@@H]1c1ccccc1 169328998 ZAQZOHNCTFTXGU-FPRUBCACSA-N 359.517 4.845 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc12 586888689 XHABWULWCWOULL-GTNSWQLSSA-N 374.669 4.745 0 1 FJAF COc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(Cl)c1O 587046241 NUQIRINTNDTSNR-UHFFFAOYSA-N 360.694 4.755 0 1 FJAF COc1cc(OC)c2[nH]c([C@H](C)c3ccccc3C(F)(F)F)nc2c1 587097466 IODCAZJFITWJDZ-SNVBAGLBSA-N 350.340 4.751 0 1 FJAF COc1ccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(F)c2)c(F)c1 587148154 CPSAZIHGXIVJHU-UHFFFAOYSA-N 372.762 4.579 0 1 FJAF COc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cn1 587164167 OHGPKVLKPQKPPS-ZROIWOOFSA-N 351.406 4.756 0 1 FJAF Cc1cc(C)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 587173479 XELSFVPYBQCSJG-UHFFFAOYSA-N 365.383 4.775 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncc(C)c3[nH]2)c1 587196468 WJVHVYYAGTZANP-UHFFFAOYSA-N 352.438 4.613 0 1 FJAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250915 RWGHSGKLUKWWMM-UHFFFAOYSA-N 357.413 4.656 0 1 FJAF Cc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605121 XNEPNPSAVBDBIT-URXFXBBRSA-N 372.420 4.894 0 1 FJAF COc1cc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)ccc1Cl 587628051 GKOLQTGVFGCEJV-UHFFFAOYSA-N 368.191 4.917 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 587952428 QPNXRUNNHMJACN-PNESKVBLSA-N 372.387 4.539 0 1 FJAF FC(F)(F)c1cccc2c1[C@@]1(C=CCCCC1)NCC21CCOCC1 962952326 GTRSCSQWPLOZQN-IBGZPJMESA-N 351.412 4.682 0 1 FJAF Cc1cnc([C@@H](CC(=O)O)c2cc(Cl)cc(-c3cccnc3)c2)s1 1772582819 LDLXEOQIDWEIGF-INIZCTEOSA-N 358.850 4.774 0 1 FJAF O=C(COc1ccc(Cl)cc1C(=O)C1CCCC1)Nc1ccccc1 6581261 IOHQUNPNPFHXGQ-UHFFFAOYSA-N 357.837 4.730 0 1 FJAF Cc1ccc(Nc2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488453 JLCLSMWGDDQREJ-QHCPKHFHSA-N 373.500 4.586 0 1 FJAF C[C@@H](Cc1c[nH]c2cc(Cl)ccc12)NC[C@H](O)c1cccc(Cl)c1 13488825 YBOUCZGJCOEWPA-BUXKBTBVSA-N 363.288 4.729 0 1 FJAF COc1ccc[n+]2c1[C@H]1c3ccccc3[C@@H]2CC1(c1ccoc1)c1ccoc1 27106501 PVEDDOYQFMYTGA-RBBKRZOGSA-N 370.428 4.593 0 1 FJAF CCCCc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1 28759550 YLNDRQGZUZTWOW-UHFFFAOYSA-N 356.466 4.586 0 1 FJAF Cc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cccnc3)c2)c1 40847223 LVVQLXPSOBFZTG-UHFFFAOYSA-N 365.820 4.548 0 1 FJAF C[C@H]1CN(Cc2cccc(-c3nc(-c4cccc(Cl)c4)c[nH]3)c2)CCO1 66258662 FAMCGMZOXGBNMJ-HNNXBMFYSA-N 367.880 4.618 0 1 FJAF Nc1c(O)nc2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1O 101229164 FYVHTHYPCZDVHZ-UHFFFAOYSA-N 354.715 4.567 0 1 FJAF CC1(C)CC(NC(=O)c2ccc(Sc3ccccc3)cc2)CC(C)(C)N1 145876729 VOXMADQJUSGJMQ-UHFFFAOYSA-N 368.546 4.877 0 1 FJAF C/C1=C\CC[C@@](C)(O)/C=C\[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 169291201 AVRRAMZPNSQDIW-KKXNUGSJSA-N 358.478 4.627 0 1 FJAF C[C@@H]1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201105953 FPSDTUMOZJNGET-WSBRVHRESA-N 355.522 4.659 0 1 FJAF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1C[C@H]3C(=O)O 299828063 GTKBCPWBKQIADM-USAIRGIKSA-N 374.521 4.987 0 1 FJAF Clc1ncc(Br)c2nc([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885433 USUAENSZNOJZJF-KUEQOTSFSA-N 366.690 4.842 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587069944 MUOKKHCLHBIZFU-LLVKDONJSA-N 353.775 4.520 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587085479 WCENJSIQLSEPLJ-UHFFFAOYSA-N 365.820 4.537 0 1 FJAF Clc1nc(-c2nc3cc(Br)cnc3[nH]2)cc2ccccc12 587085856 LASBKQBCTONWLU-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cnccc3[nH]2)c(Cl)c1 587159080 MDRHZDXJPVAUQH-GOSISDBHSA-N 353.784 4.919 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587170557 DDLUEMSPWIJJLZ-ZDUSSCGKSA-N 372.465 4.703 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3c(Cl)ncnc3[nH]2)c1 587239322 VUFIDUGPOYLEFL-UHFFFAOYSA-N 364.840 4.616 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cn1 587246500 BCDIFQPKOWYERF-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3cc(Cl)cc(Cl)c31)O2 587380986 ZEDCGQPLTRWZOX-SFHVURJKSA-N 364.228 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc(C(F)(F)F)c1C)O2 587381704 JWFWDAOGHBREFK-AWEZNQCLSA-N 363.379 4.871 0 1 FJAF CCc1c([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc2ccc(C)cc12 587455127 JMQXQLGTHYZINC-HXOBKFHXSA-N 362.425 4.975 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)c(F)c(F)c(F)c1F)CC2=O 587466116 LUDRZTSXRJCRDJ-LLVKDONJSA-N 372.289 4.747 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2F)N1 587727724 PFVATMBTOFGJHF-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3[nH]2)N1 587808364 ZDANJJGMOUKITH-JEOXALJRSA-N 373.269 4.867 0 1 FJAF COc1cccc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810053 WFCSTDUXLQISNY-BBATYDOGSA-N 364.258 4.529 0 1 FJAF COC(=O)c1ccnc2[nH]c(/C=C\c3ccccc3Oc3ccccc3)nc12 587951037 VIHPOBDUUNMHTB-QXMHVHEDSA-N 371.396 4.707 0 1 FJAF CC[C@@]1(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)CC(=O)c2ccccc2C1 587960810 NHMGPRHWTUKRIY-IBGZPJMESA-N 373.378 4.745 0 1 FJAF COc1ccc([C@]2(C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963108424 PDZZOHHJUAJLNM-DNVCBOLYSA-N 365.370 4.661 0 1 FJAF CCOc1ccc(C)cc1-c1cc(F)cc([C@H](CC(=O)O)c2ncco2)c1 1772583693 CWYYSLJYJBFQKG-SFHVURJKSA-N 369.392 4.794 0 1 FJAF Cc1ncc2c(n1)C(C)(C)[C@H]1CCc3ccc(OC(C)C)cc3[C@@]1(C)C2 1857600547 MXQYRDRJXBQJCF-NFBKMPQASA-N 350.506 4.926 0 1 FJAF CCCCc1ccc(-c2nc(-c3cc(OC)c(OC)c(OC)c3)no2)cc1 1857604204 SNBWFHIWJCOXGL-UHFFFAOYSA-N 368.433 4.772 0 1 FJAF O=C1N[C@@H]2SC(Cl)=C[C@@H]2C(O)=C1c1cccc(Oc2ccccc2)c1 1857649931 KTLCGSSBJQEBJF-AUUYWEPGSA-N 371.845 4.647 0 1 FJAF CC=C[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@H](C)C=C(C)[C@H]1[C@H]2C 2356437148 IOUYXYGRBKBIAU-AMVAKQTESA-N 361.526 4.855 0 1 FJAF CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H](c2ccccc2)[C@H]1O 1890630 UOLPWQTZNSRMCK-YPAWHYETSA-N 372.530 4.553 0 1 FJAF CN1CCCC[C@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1 4214153 FKFABDZLGKRECY-FQEVSTJZSA-N 351.490 4.625 0 1 FJAF in-man CCCCCCC1=NO[C@H](c2ccccc2OC)[C@H]1C(=O)NCCCC 4214416 AWXVIEHRCPJZSD-VQTJNVASSA-N 360.498 4.625 0 1 FJAF Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)[C@@H]1CCOC1 12373265 ODJNSKLZIWFMQY-GOSISDBHSA-N 364.445 4.663 0 1 FJAF COc1cccc2c1CCC=C2CCCN1CCN(c2ccccc2)CC1 13733303 XOBUAHLUTFRWNA-UHFFFAOYSA-N 362.517 4.627 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2nc(-c4ccccc4)no2)N3C)cc1 36270972 WYJIEKRDCVWTRP-MXEMCNAFSA-N 359.473 4.779 0 1 FJAF CN(Cc1ccccc1)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 66100558 CFEDAZXZOVUWKS-UHFFFAOYSA-N 368.436 4.676 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2C)o1 82177458 HXEKLCFRSJKFKU-GJZGRUSLSA-N 362.477 4.898 0 1 FJAF CC[C@H](C)[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197799 NXJYCVLHPIOEMR-UWVGGRQHSA-N 359.417 4.902 0 1 FJAF C=C=C[S@@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 118922769 TWJIXIMVSAVZGQ-GPVBFXAUSA-N 358.547 4.934 0 1 FJAF C[C@@H](Nc1nccc(N2C(=O)O[C@H](C)[C@@H]2c2ccccc2)n1)c1ccccc1 142049520 DYWBLVKYYWCZIN-JXXFODFXSA-N 374.444 4.736 0 1 FJAF CSc1cccc(N=c2[nH]c(-c3ccc4c(c3)OCCCO4)cs2)c1 473083139 ATIVGVMEAFTOQI-UHFFFAOYSA-N 370.499 4.859 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)nccc2[nH]1 587035719 YVKINZDTPHXHOT-HNNXBMFYSA-N 364.474 4.752 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2ccc(Br)c(F)c2[nH]1 587067023 KUIBRWNHQBHYNQ-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3c(Cl)ccnc3[nH]2)c1 587126562 YIAJOHVGRSGLJE-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF O=C(/C=C/c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Nc1ccccc1 587244210 MFDPBDHDUUWPII-VOTSOKGWSA-N 365.742 4.887 0 1 FJAF C[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334805 ZBCZUSLYNCLUGB-WMZOPIPTSA-N 368.326 4.991 0 1 FJAF O=C1c2ccc(O)cc2OC2(CCC(F)(F)CC2)[C@@H]1c1ccc(F)cc1 587339324 YSPMTTKIQJZYPX-QGZVFWFLSA-N 362.347 4.838 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cc[nH]c23)N1 587803474 QAFIKCDLBCDQHO-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)c2)N1 587850302 YLFNLHWQQMDLMB-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncccc1Cl 587860734 ADSQBGQOCBPQES-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc(F)cc(C(=O)O)c4[nH]3)ccc2c1 587935749 VHFDZFOHTWHTFX-LLVKDONJSA-N 364.376 4.714 0 1 FJAF CCCc1[nH]nc2c1[C@@H](c1ccccc1)c1c(nc3c(c1N)CCCC3)O2 1772583196 SXVWBXBRRDKJSA-QGZVFWFLSA-N 360.461 4.504 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 2356534648 GPTWTKZDAAYJRN-ZUOKHONESA-N 370.445 4.991 0 1 FJAF COc1c(C=CC(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 2356535999 DHIMEGBZGLETMH-UHFFFAOYSA-N 354.402 4.841 0 1 FJAF CSc1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1 13580912 ZTNSRIHEGRLJRG-UHFFFAOYSA-N 369.494 4.778 0 1 FJAF C[C@H]1C=C2N(C)C(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388143 SSFLLJHYNMDQDP-GUXYEKNBSA-N 357.538 4.770 0 1 FJAF COc1ccc[n+]2c1[C@@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 27106499 PVEDDOYQFMYTGA-IRLDBZIGSA-N 370.428 4.593 0 1 FJAF O=CN1[C@H](c2ccccc2)CC(=O)[C@H](Cc2ccccc2)[C@@H]1c1ccccc1 28711849 PPWOMOGHZQKVKU-LSQMVHIFSA-N 369.464 4.759 0 1 FJAF CCCC1=NO[C@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 28961998 GJHVGLVTYGMPTO-QHCPKHFHSA-N 363.505 4.626 0 1 FJAF C/C1=C/C[C@@H](OC(=O)c2ccc(O)cc2)/C(C)=C\[C@@H](O)C(C)(C)CCC1 33423945 JDZBITULCWBIMC-URRVEYQKSA-N 358.478 4.771 0 1 FJAF O=C(NCCc1c[nH]c2ccccc12)c1ccc(-c2ccc(F)cc2)cc1 40425244 KJHBNQGNSNXYND-UHFFFAOYSA-N 358.416 4.947 0 1 FJAF c1ccc2c(c1)CN(C[C@H]1C[C@@H]3c4ccccc4Cc4ccccc4N3O1)C2 40685944 XKZZKFWMYWZWDI-RCZVLFRGSA-N 368.480 4.858 0 1 FJAF CSCCCOc1ccc2c(c1)CCC1(CCN(C3CCC3)CC1)O2 73223289 UKAHUAMAUQOKOD-UHFFFAOYSA-N 361.551 4.531 0 1 FJAF O=C(c1cnc(NC2CCCCC2)nc1-c1ccccc1)N1CCCCC1 82133153 YAEWLNGJYNETKI-UHFFFAOYSA-N 364.493 4.514 0 1 FJAF COc1ccc(CN(CCc2ccccc2)CCc2ccccc2)cc1O 103277585 ZFAWDMYUUBEWIC-UHFFFAOYSA-N 361.485 4.688 0 1 FJAF CC(C)CNCc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2N)cc1 142006795 LPGCYTKMQKYVFP-UHFFFAOYSA-N 373.500 4.934 0 1 FJAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 169351141 CBNNPWOODQAMIN-MSAWVTPISA-N 371.527 4.516 0 1 FJAF Fc1cc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2cc1Br 586886718 QCNYGYYMPBGZRX-XIKOKIGWSA-N 357.226 4.836 0 1 FJAF Fc1cc(Cl)cc2nc(-c3nc(Br)ccc3Cl)[nH]c12 587004871 ATFVAABEJPKBMI-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCOC(=O)[C@@H](CC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096151 ADTCFMARPSVWEC-AWEZNQCLSA-N 359.425 4.811 0 1 FJAF Cc1ccc2c3c(cc([C@@H]4C[C@H](C(=O)O)C4(C)C)nc13)-c1ccccc1C2=O 587101274 LOVRXVYISFUOCX-ZWKOTPCHSA-N 371.436 4.969 0 1 FJAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(F)cc1O 587102598 BFVFXNPOAGFEHZ-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(C)c3[nH]2)cc1F 587144931 RQJAYHMZMXCZAH-UHFFFAOYSA-N 360.388 4.917 0 1 FJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3ccc(Cl)cc3[nH]2)c1 587202254 CQFQWLNKQOMPTG-UHFFFAOYSA-N 370.840 4.733 0 1 FJAF C[C@@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CCC2=O 587208185 RALJJFFFLXNBNR-XMMPIXPASA-N 351.405 4.755 0 1 FJAF O=C(O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cs1 587209395 OXOWUJMGSLPFEV-UHFFFAOYSA-N 357.390 4.873 0 1 FJAF CCOc1cccc2cc([C@@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)oc12 587456172 SDKAIBTYLBVQKZ-QRQCRPRQSA-N 364.397 4.503 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)c(F)c(F)c(F)c1F)CC2=O 587466119 LUDRZTSXRJCRDJ-NSHDSACASA-N 372.289 4.747 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OC)ccc3n1C)CC2=O 587475721 OGAIJWNZJXNOHH-OAQYLSRUSA-N 365.429 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3c(c1)CCCN3)CC2=O 587486746 TUGIDXDRZAAVSB-JOCHJYFZSA-N 351.446 4.583 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cscc1Br)CC2=O 587494990 MXDYVYGVOCVLCO-HNNXBMFYSA-N 367.264 4.875 0 1 FJAF CCCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587534254 YAJJSJKWCJVUQK-SFHVURJKSA-N 354.475 4.564 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)F 587558885 XYADKLSGJCRDLQ-DYESRHJHSA-N 368.335 4.514 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2[nH]1 587588539 LBRKXYQVODPIEW-KNQAVFIVSA-N 357.365 4.576 0 1 FJAF C[C@@]1(c2ccc(S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610673 DMPWRFXZAQSAGX-NQIIRXRSSA-N 364.422 4.558 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715591 IFRRTZYZADVQPV-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF O=C1CCc2cc3nc([C@H](Cc4ccccc4)c4ccccc4)[nH]c3cc2N1 587956168 WASUYEORHOIGDD-LJQANCHMSA-N 367.452 4.822 0 1 FJAF COc1cccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)c1 653884752 IPYHNVZRKHHBGI-QTJGBDASSA-N 370.452 4.836 0 1 FJAF COc1ccc2nc(C)cc(OCC(=O)Nc3ccc4ccccc4c3)c2c1 653888034 NJTANOVYPUTSFX-UHFFFAOYSA-N 372.424 4.723 0 1 FJAF c1ccn2c3c(nc2c1)CCN[C@H]3c1ccc(SC2CCCCC2)o1 962986472 UKOJBVDDCDZTLA-IBGZPJMESA-N 353.491 4.587 0 1 FJAF COc1ccccc1CC[C@@]1(c2cccc(C)c2)NCCc2ccc(O)cc21 963350808 DPSKQUCHPSJILW-VWLOTQADSA-N 373.496 4.731 0 1 FJAF CC1=CCC[C@@](C)(CC(=O)C[C@]2(C)CCc3cc(O)cc(C)c3O2)OC1 1857748668 OWDNDBKSRBZYRL-VXKWHMMOSA-N 358.478 4.649 0 1 FJAF CC1=CC[C@H](OC(=O)c2ccccc2O)C(C)=C[C@@H](O)C(C)(C)CCC1 2356575512 QAKKYFVECGRUIH-VQTJNVASSA-N 358.478 4.771 0 1 FJAF CCCNC[C@@H](O)COc1cccc2c1c1ccccc1n2CC=C(C)C 2382253321 GCTSJKHVWHKRRS-GOSISDBHSA-N 366.505 4.500 0 1 FJAF Cc1ccc(CN2CCC[C@@H](C(=O)c3cccc(C(F)(F)F)c3)C2)o1 13596219 BEFKPDDAMAPFCB-OAHLLOKOSA-N 351.368 4.702 0 3 FJAF CCc1ccc(O[C@@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61907634 ANBPQCZQJYQEFX-NRFANRHFSA-N 361.432 4.894 0 3 FJAF CN(C)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1 4239272 USOJHPWMWKKVNU-UHFFFAOYSA-N 358.445 4.592 0 1 FJAF c1ccc(-c2nc(SCC3OCCCO3)[nH]c2-c2ccccc2)cc1 13730610 XETLPYVHMQTADL-UHFFFAOYSA-N 352.459 4.599 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1COCC1CCCCC1 26388402 MCXWYACNYOTKNC-QYCXOUGESA-N 350.499 4.578 0 1 FJAF CCCN(CC1CC1)c1nc(CC)nc(Nc2c(C)cc(C)cc2C)n1 26398281 YJGFZCOOJHHKTI-UHFFFAOYSA-N 353.514 4.729 0 1 FJAF O=C1Nc2ccccc2[C@]1(c1ccc(O)cc1)c1cccc(C(F)(F)F)c1 29552639 HXVKBYMZGDSNQK-FQEVSTJZSA-N 369.342 4.698 0 1 FJAF O=C1C(=O)N(Cc2ccccc2C(F)(F)F)c2c(Cl)ccc(Cl)c21 40394306 KCWKURLWXOPOJL-UHFFFAOYSA-N 374.145 4.742 0 1 FJAF COc1ccccc1CCOC(=S)Nc1ccc(Cl)c(Cl)c1 40893627 SBVBQSUIJNETMD-UHFFFAOYSA-N 356.274 4.958 0 1 FJAF Cc1cc(-c2ccc3c(c2)CC[C@@H](N[C@@H](C)c2ccccc2)C3)cnc1N 45323368 FEQZYBOSWWUNOX-GAJHUEQPSA-N 357.501 4.847 0 1 FJAF CCO[C@H]1CC[C@H]2[C@@H](CC[C@@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 195514624 ZOYLVBQKNCQNAG-OXYWVNHQSA-N 366.505 4.622 0 1 FJAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@@H]1CCCc2ncsc21 220887632 OASWWNQRELWIIR-SNVBAGLBSA-N 374.815 4.552 0 1 FJAF COc1ccc(-c2cc(OC)c(-c3ccc(OC)cc3)c(O)c2OC)cc1 238775572 OULRAHQDSPVDDZ-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF Cc1ccccc1Oc1ccc(Cn2cc(-c3ccccc3)nn2)cc1O 263621011 RXXUNJCEEGMOQJ-UHFFFAOYSA-N 357.413 4.800 0 1 FJAF in-vitro C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1Cc1c2n[nH]c1-c1cccnc1 299807177 HBDCNILCSISVQF-ZRXZBVFWSA-N 371.484 4.747 0 1 FJAF CCCOc1cc2nc(-c3occ4c3CCC4)[nH]c2cc1Br 586905078 GJUZXAZOEMMYGY-UHFFFAOYSA-N 361.239 4.863 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cnc(C)c(Br)c4C)[nH]c32)n1 586979438 MNQFMBZUDBXMNA-UHFFFAOYSA-N 367.250 4.861 0 1 FJAF Cc1cc(Cl)ccc1OCCCc1nc2c(C)cnc(Cl)c2[nH]1 587065856 AIZYMPHRQXZMNZ-UHFFFAOYSA-N 350.249 4.893 0 1 FJAF Cc1nn(C)c(C)c1-c1nc2cccc3c2c(c1C)-c1ccccc1C3=O 587105089 NUIQFPJWSJLBIS-UHFFFAOYSA-N 353.425 4.772 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc(Br)cnc4[nH]3)c(Cl)c2c1 587173816 JSMSGNVORPXLCV-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)ccc1Cl)O2 587377714 PBKAMBVCOZTWKL-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1C(F)(F)F)O2 587381433 IVDYMMWVUIFGRP-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3ccc(OC)cc3c1C)CC2=O 587483244 LODGVZONZOROMT-FQEVSTJZSA-N 365.429 4.850 0 1 FJAF CC[C@]1(c2cc(F)c(O)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587505444 KZOGLYSJCFJQAS-OAQYLSRUSA-N 358.384 4.820 0 1 FJAF C[C@@H]1CCC[C@@H](N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 587513709 LBRUTVFRSIFQBL-IEBWSBKVSA-N 367.533 4.944 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cnccc12 587586971 MMEDUEPQBUQTPB-NFBKMPQASA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cc[nH]c12 587590233 RYCNPVAOUSXGQQ-PGRDOPGGSA-N 357.365 4.576 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC(F)(F)CC2)N1 587715335 CHDDJKXEOHBJJN-BJOHPYRUSA-N 362.233 4.989 0 1 FJAF CC(C)n1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587753058 HNIITBAARDUTGQ-APPDUMDISA-N 351.263 4.594 0 1 FJAF CCn1c(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587753362 VJMXZEZBSHMESG-XTZNXHDOSA-N 365.290 4.650 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2C(=O)O)N1 962951941 PHUUAODOVYEFEV-XIKOKIGWSA-N 354.837 4.533 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@H]2c1n[nH]c2cc(Br)ccc12 963729648 KFXMOPFVTMBLHM-GOSISDBHSA-N 366.262 4.588 0 1 FJAF O=C(O)c1ccc(Cc2cc(Cl)cc3sc(N4CC=CCC4)nc23)o1 1772650271 WCOTXBFNSQJQSG-UHFFFAOYSA-N 374.849 4.598 0 1 FJAF CC[C@@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccccc1 1857651016 QVSUQKNFVSUZPH-MRXNPFEDSA-N 361.363 4.796 0 1 FJAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]21C[C@@H](c2ccoc2)OC1=O 2356331285 YQBLLNPEOGXFFB-HAEALKDOSA-N 358.434 4.547 0 1 FJAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C(O)C[C@H]1C(C)(C)CCC[C@]12C 2356433164 YZKVFPBCUJKGKM-DVWBAYGPSA-N 350.499 4.926 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356651464 OMUWPNNQUCLTRC-NYGBXQALSA-N 372.549 4.508 0 1 FJAF COCc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)c1 2382220520 CMRKJDFTOWYCPD-UHFFFAOYSA-N 373.456 4.997 0 1 FJAF COc1ccc(C2=C(c3cccc(Cl)c3)C(=O)N3CCC[C@@H]3C2)cc1 28949742 XWFJPZQCYRCLER-QGZVFWFLSA-N 353.849 4.654 0 1 FJAF Fc1ccc(Nc2ccc(CN3CCO[C@@H](c4ccccc4)C3)cn2)cc1 40955148 VEBCMBHWTJSLGC-OAQYLSRUSA-N 363.436 4.538 0 1 FJAF O=C(N[C@@H](CCN1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 45300367 LVFGABPIBKLJIV-FQEVSTJZSA-N 356.897 4.687 0 1 FJAF O=C(Nc1ccccc1)Nc1c(-c2cccc(F)c2)[nH]c2ccccc2c1=O 49051220 QCOJBXRXIVWEEI-UHFFFAOYSA-N 373.387 4.978 0 1 FJAF CC(=O)N(Cc1ccc(F)cc1)c1ccnc(N[C@@H](C)c2ccccc2)c1 49072788 VSSLTUPGEIFCOR-INIZCTEOSA-N 363.436 4.947 0 1 FJAF CN(Cc1ccccc1)c1cc(Br)cc(Br)c1O 66079752 CPSWTXDWEMCKKR-UHFFFAOYSA-N 371.072 4.554 0 1 FJAF O=C(Nc1nc2ccccc2c2cc(-c3ccccc3)nn12)c1ccccc1 95593064 XUUIHGJBHVXJEW-UHFFFAOYSA-N 364.408 4.802 0 1 FJAF Clc1ccc([C@H]2CNCc3cc(-c4cccnn4)ccc32)cc1Cl 114510533 NRTIHDQHAKWSTG-MRXNPFEDSA-N 356.256 4.686 0 1 FJAF Cc1ccc(CSCCc2nc3c(Br)ccnc3[nH]2)cc1 586970295 KUEZGOCXHDXLCT-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586991476 NWWXXSIVUOOJKM-FVIJCFCBSA-N 371.436 4.503 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(Cl)ncn4)nc13)-c1ccccc1C2=O 586993046 JUEIIGKIHWXVCV-UHFFFAOYSA-N 357.800 4.865 0 1 FJAF Fc1cc(F)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587013517 ZGWKUWVOMBIWIY-UHFFFAOYSA-N 356.195 4.605 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(OC)c(Cl)cc3[nH]2)s1 587014244 JWOIFQMGDMEFSR-SECBINFHSA-N 351.859 4.754 0 1 FJAF COc1cncc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587040008 JJMMORUZRYCJRX-UHFFFAOYSA-N 374.469 4.812 0 1 FJAF Clc1ccccc1-c1cc(-c2nc3cnncc3[nH]2)c2ccccc2n1 587060295 KFZGDLPQJKAVHO-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF Fc1cc2[nH]c([C@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1Cl 587075554 DWGYFXIHNPXTFR-OAHLLOKOSA-N 350.180 4.626 0 1 FJAF C[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587157862 URQLHPOKRFPGGT-KRWDZBQOSA-N 364.207 4.800 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)ccc(Cl)c31)O2 587380028 OETCIRMRNUIOOX-SFHVURJKSA-N 364.228 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(F)ccc1N(C)C1CCCC1)O2 587385031 LISATPKYCZUHRG-NRFANRHFSA-N 368.452 4.802 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccccc3C)n1)O2 587412991 KYIXTYMFBWUGQI-SFHVURJKSA-N 350.443 4.716 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCC2 587600659 BQWLEDDRVGIVDN-OFNKIYASSA-N 358.393 4.584 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccncc23)N1 587779319 QWEXOWFOKLKZAV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CCCc1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587853341 QAQNQOJDSDWHCA-VFZGTOFNSA-N 369.303 4.621 0 1 FJAF COc1ccc(C[C@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1OC 587925150 BQFHGZDWJNZXBZ-AWEZNQCLSA-N 350.462 4.805 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(Cl)cc2[nH]1 587928233 YWHDYKKDPWHSNA-LBPRGKRZSA-N 360.841 4.784 0 1 FJAF CC[C@@]1(c2ccc(C)c(C)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962772342 VZDVVHCTDYRUAJ-QUCCMNQESA-N 361.407 4.603 0 1 FJAF Cc1ccc([C@]2(Cn3nc(C)cc3C)NCCc3c2sc(C)c3C)cc1 963012809 QYBKGHSEYNMROS-QFIPXVFZSA-N 365.546 4.576 0 1 FJAF CC(C)n1nc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cc1C1CC1 963110180 PCYRYNPPWUQUGW-GOSISDBHSA-N 350.293 4.883 0 1 FJAF c1ccc(OCCc2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 1857569777 CYUHCYKXNZBLTF-UHFFFAOYSA-N 372.512 4.630 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@H]1Cc1ccccc1O 1857745615 RTHQYQGTISTJNY-HXUWFJFHSA-N 358.437 4.611 0 1 FJAF COc1c2c(c(CC=C(C)C)c3occc13)N[C@H]1C(O)=CC=C[C@@H]1C2=O 2356770783 HWGJCIRYJFWOQH-YVEFUNNKSA-N 351.402 4.555 0 1 FJAF Cc1cc(Cl)ccc1-n1nc(Sc2ccc(Cl)cc2)ccc1=O 14961535 NWSGJVAHWFLKBI-UHFFFAOYSA-N 363.269 4.999 0 1 FJAF O=C1c2cn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)nc2CC1(F)F 28572696 XXLAPCKGFIGLJX-UHFFFAOYSA-N 371.092 4.572 0 1 FJAF CC(=O)O[C@@H]1C/C(C)=C/C/C=C2/C(=O)OC[C@H]2[C@@H]1[C@H](C)CCC=C(C)C 34239710 MFANFVLPLDXKAO-XQNMFMFSSA-N 360.494 4.756 0 1 FJAF Cc1cccc([C@@H]2NC(NCc3cccc(F)c3)=N[C@@H]2c2cccc(C)c2)c1 43021058 ILWIFXREUGXHMS-ZRZAMGCNSA-N 373.475 4.974 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccccc1F 53296895 XCCBBLZKVMCHHJ-OAHLLOKOSA-N 368.264 4.527 0 1 FJAF COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3ncccn3)ccc2c1 84653013 YKSLZDDQXKHNAB-UHFFFAOYSA-N 358.445 4.993 0 1 FJAF O=C1Nc2ccccc2/C1=C(\c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 84742596 YXDYQWFVCCYQIM-VXPUYCOJSA-N 373.362 4.752 0 1 FJAF CN1C(=O)[C@@H](CN2CCCCC2)C[C@@H]1c1ccc(C2CCCCC2)cc1 96248452 SZBHOSYEPSBGFK-FGZHOGPDSA-N 354.538 4.740 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 100773540 MRDOIVGFARRMGI-PLACYPQZSA-N 359.473 4.779 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1 586918097 WINSSBCSPGSUAM-VBKZILBWSA-N 354.837 4.741 0 1 FJAF Brc1ccc([C@@H](c2nc3ccccc3[nH]2)N2CCCC2)cc1 586984364 FRDGIPAXFVWVGD-KRWDZBQOSA-N 356.267 4.511 0 1 FJAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(C)cc3[nH]2)cc1F 587143625 BKYBRYCZQOSSEG-UHFFFAOYSA-N 360.388 4.917 0 1 FJAF Cc1cnccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335775 IFWBFNWTWCLLQL-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF COc1ccc([C@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1F 587386664 VXZXAGWENUZPFI-ZHRRBRCNSA-N 369.436 4.787 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)CC)cc1O)CC2=O 587466598 AMFOIAKZUVFDRY-OAQYLSRUSA-N 369.461 4.603 0 1 FJAF O=C1C[C@@H](c2c(Cl)ccc3nccn23)Oc2c1ccc1c2CCCC1 587500499 PJKQPCSWGNTBHR-KRWDZBQOSA-N 352.821 4.573 0 1 FJAF COc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506823 PQNSTWIIJACEBP-MRXNPFEDSA-N 354.421 4.680 0 1 FJAF Cc1cc(C)c2c(=O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)coc2c1 587533743 UWEGQKCQGAIXSU-HXUWFJFHSA-N 374.436 4.995 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587555913 HWDLRWQMEDWPPR-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cnccc2c1 587587306 NMWXHOQYVDPZKL-NFBKMPQASA-N 369.376 4.643 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(Cl)c(F)c1 587658124 GZNJRQXOXGKPCY-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3ccccc3OC2)N1 587834634 LUTHHFKKJCENCV-WLRWDXFRSA-N 374.253 4.640 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(C)ccc1C 587872102 HCMDGBMLBBHZLC-UHFFFAOYSA-N 369.465 4.950 0 1 FJAF COc1ccccc1-c1nnc(Nc2cccc(Br)c2)s1 653747442 UZZYTIQSESEFOH-UHFFFAOYSA-N 362.252 4.720 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1ccc(OC(F)F)cc1OC(F)F)NCC2 962095311 WSEIFMMEKXNHLJ-INIZCTEOSA-N 373.321 4.572 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc(C)c(Cl)cc1F 963027853 ALOCHOYXASUJTD-NRFANRHFSA-N 370.855 4.754 0 1 FJAF COc1ccc2c(c1)[C@]1(CCS2)NCCc2c(Cl)cc(Cl)cc21 963102546 DGEHUKVAVNXPCP-GOSISDBHSA-N 366.313 4.887 0 1 FJAF Cc1cc(C(=O)O)c2c(C(C)C)nn(-c3ccc(Cl)c(Cl)c3)c2n1 1857543758 VJVFRVXFPQUZLU-UHFFFAOYSA-N 364.232 4.857 0 1 FJAF CSc1ccc(CN2CC[C@@](C)(Oc3ccc(C(C)=O)cc3)C2)cc1 61926423 FGNJITWPCABEDC-OAQYLSRUSA-N 355.503 4.655 0 3 FJAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(O)cc3)c(CC(=O)O)n2C1 13737371 DEHBTHPQBPZOGK-UHFFFAOYSA-N 361.441 4.737 0 1 FJAF O=C(O)c1cccc(Oc2cc(Cl)ccc2OCc2ccccc2)n1 29129041 JHSPNEBXROIATK-UHFFFAOYSA-N 355.777 4.805 0 1 FJAF O=C(Nc1ccccc1)N1CCN(Cc2cccc(-c3ccccc3)c2)CC1 35792309 GQSAUQGZWWOLCY-UHFFFAOYSA-N 371.484 4.703 0 1 FJAF c1ccc2c(c1)CCN(c1cc(Oc3cccc4ccccc34)ncn1)C2 82067484 ZHTQMNBLKKQUHF-UHFFFAOYSA-N 353.425 4.985 0 1 FJAF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132261 QDOOHIBOEWXEDT-APWZRJJASA-N 366.509 4.664 0 1 FJAF COc1ccc(Cl)cc1-c1cc(N[C@@H]2CCc3ccccc32)ncn1 82161326 WLHXHEGJVLYXJD-QGZVFWFLSA-N 351.837 4.905 0 1 FJAF CC1=C(C(=O)O)[C@H](CCCCCCCCCCCCC[C@H](C)O)OC1=O 85945706 RJNPNSFGRBJXHX-WMZOPIPTSA-N 368.514 4.765 0 1 FJAF biogenic CC(=O)Nc1cc(Cl)cc2c1[nH]c1cnc(NCc3ccccc3)cc12 95552990 PMTFBFMESJEAGC-UHFFFAOYSA-N 364.836 4.940 0 1 FJAF CCCc1cccc(OCc2ccc(C(=O)Nc3nc(C)cs3)o2)c1 95755587 TXYMWNOYWLDLPY-UHFFFAOYSA-N 356.447 4.828 0 1 FJAF c1ccc(CCN2CCN3C[C@H](c4ccccc4)c4ccccc4[C@@H]3C2)cc1 96900945 ZTNUFLBDJULOLU-FTJBHMTQSA-N 368.524 4.734 0 1 FJAF Cc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)s1 96940329 ZQWLJMFFLMCLNJ-OAQYLSRUSA-N 370.562 4.992 0 1 FJAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 101929992 OQQNORJKJULDQV-CYBMUJFWSA-N 372.519 4.692 0 1 FJAF CC(C)=CCC/C(C)=C/C/C=C/C/C=C\CCOC(=O)COCCO 169345144 UHMNPPKMNGQADQ-GMYMDDAESA-N 350.499 4.514 0 1 FJAF O=C1C[C@H](c2ccccc2Cl)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845710 QXQUNBGYCUXRRG-NJDAHSKKSA-N 368.908 4.714 0 1 FJAF COc1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(Cl)cc2)cc1 473094002 UTZIUDYYQVGEBS-UHFFFAOYSA-N 373.861 4.816 0 1 FJAF Cc1ccc(C)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc12 587019233 ILGZURMEFKDRNN-UHFFFAOYSA-N 368.487 4.541 0 1 FJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587087088 AVHRSWFZWCCZQS-QMMMGPOBSA-N 365.733 4.985 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)OCCC(C)C)nc13)-c1ccccc1C2=O 587097726 SIJDYRHHVPJBOY-UHFFFAOYSA-N 373.452 4.886 0 1 FJAF COC(=O)[C@H]1CCCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587098787 UMBTYPUNFQFKPU-SFHVURJKSA-N 371.436 4.738 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)c(F)cc2[nH]1 587108654 GSPURPFGXUVTSW-UHFFFAOYSA-N 358.678 4.739 0 1 FJAF C[C@@]1(C2CCSCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375083 QOMPKEMWDOVBJT-CTNGQTDRSA-N 372.461 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 587459171 GOJJMZLIBXFGTN-SFVQPNDDSA-N 360.881 4.866 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(OC(F)F)c1)CC2=O 587465576 IKMCPTCAWRKRTN-INIZCTEOSA-N 366.335 4.792 0 1 FJAF COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587504241 ICSWCUZPBQMTBZ-FPTDNZKUSA-N 368.448 4.926 0 1 FJAF CC[C@]1(c2ccc(O)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521211 BIZWPYWITORWRH-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525719 RLWCDHQKJJIXQH-FDDCHVKYSA-N 370.489 4.659 0 1 FJAF COc1ccc2c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c[nH]c2c1 587528201 XYCZYEGTQIOUKR-HSZRJFAPSA-N 361.441 4.936 0 1 FJAF CC[C@@H]1CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587601755 GZYUAJIYAOIYMA-FKEBMKQQSA-N 352.430 4.939 0 1 FJAF CC(C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614102 RANJVEADFJWDQY-RXVVDRJESA-N 366.438 4.967 0 1 FJAF Cc1ccccc1OC[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587802047 PIBRYPQKUDKDIH-SWLSCSKDSA-N 364.258 4.551 0 1 FJAF Cc1cc(-n2c(OC(C)C)ccc2OC(C)C)nn1Cc1ccccc1F 587944271 CBEZZMZTQOBFDW-UHFFFAOYSA-N 371.456 4.744 0 1 FJAF Brc1cncc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587961996 PKXCDWONRZWTCB-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF COc1ccc2c(=O)c(Cl)c(-c3ccc(N4CCCCC4)cc3)[nH]c2c1 1772607719 FQBGQGXZRSGNRQ-UHFFFAOYSA-N 368.864 4.847 0 1 FJAF COC(=O)[C@@H]1[C@H](C)CC[C@]2(C)[C@@H]1CC[C@]1(C)C(C)=C[C@@H](OC(C)=O)C[C@@H]12 2356504290 KIPBJOAUMJHVAI-GJQRGATLSA-N 362.510 4.526 0 1 FJAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3[C@H](OC)[C@H](C)[C@@H]2C)ccc1O 2356827120 HNMLAPIXDGJKHU-MOPVNIBJSA-N 372.461 4.523 0 1 FJAF CC(=O)c1ccc2ccccc2c1OC(=O)c1ccc(Br)o1 1512156 FKPCOXZCLBARAB-UHFFFAOYSA-N 359.175 4.617 0 1 FJAF C[C@@H]1CCCN(c2ccc(N(C)C)cc2C(=O)c2ccc(Cl)cc2)C1 29325783 CAXJLBQAJVQXSW-OAHLLOKOSA-N 356.897 4.873 0 1 FJAF Cc1ccccc1C(=CCCN1CCC[C@H](C(=O)O)C1)c1ccccc1C 29416486 QWORJCLBNJDDNK-FQEVSTJZSA-N 363.501 4.922 0 1 FJAF Clc1ccc(Nc2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1 73198688 WGPUESXDFMWQFV-UHFFFAOYSA-N 362.245 4.903 0 1 FJAF FC(F)(F)Oc1ccccc1CSc1nnc(-c2ccccc2)o1 95755282 ZWUPZKBYOINWEB-UHFFFAOYSA-N 352.337 4.928 0 1 FJAF Cc1cccc(-c2nc3n(n2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N3)c1 103542000 OQGXSHABESEUMA-FQEVSTJZSA-N 356.429 4.925 0 1 FJAF Clc1ccc(-c2nnc([C@@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307878 ORKDNCYUHVEQFA-SFHVURJKSA-N 364.836 4.597 0 1 FJAF CCc1c([C@@H](C)c2c(F)cccc2F)nc(S[C@@H](C)CC)[nH]c1=O 169352246 MLMDHCXMTSRTJR-QWRGUYRKSA-N 352.450 4.653 0 1 FJAF COc1ccc(-c2coc3cc(OCC=C(C)C)cc(O)c3c2=O)cc1 238758557 WXZJPSUOIKPJHP-UHFFFAOYSA-N 352.386 4.519 0 1 FJAF C[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OS(=O)(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 473092806 SGEHBQYHDGXTNO-AJHUUBBASA-N 370.555 4.853 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)cc1 586878718 ACRABCDVHZHXAC-NRFANRHFSA-N 370.412 4.823 0 1 FJAF Brc1cccn2ncc(-c3nc4ccc5c(c4[nH]3)CCCC5)c12 587006804 PKHDLKMWUPAFQL-UHFFFAOYSA-N 367.250 4.519 0 1 FJAF O[C@@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccccc1Cl 587058831 JOTFXSKXLGFNOU-CYBMUJFWSA-N 361.150 4.970 0 1 FJAF Cc1ccnc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587127910 BTFUVMCDDUQICJ-ZCFIWIBFSA-N 361.730 4.601 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccc(C)nc4[nH]3)c(F)c2)c(F)c1 587152555 PXAMWPNKVKXNHB-UHFFFAOYSA-N 351.356 4.887 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCOc4c1ccc1ccccc41)[C@@H](C2)C3=O 587454658 VMZKQWKNRUXDNW-CYFREDJKSA-N 372.420 4.664 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](c2ccccc2)OC1(C)C 587482272 DLONSBOSMREGKN-OFNKIYASSA-N 366.457 4.989 0 1 FJAF O=C1C[C@H](Cc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503210 MYVJQYZFYZNJRI-INIZCTEOSA-N 371.274 4.904 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1F 587557644 OFDQUZBKSZOQAN-JXFKEZNVSA-N 372.298 4.512 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2F)N1 587721706 QEYWSCRDBDIQRV-XYZCENFISA-N 370.212 4.664 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccccc1C 587862644 TVCNSPLUJCTLMF-UHFFFAOYSA-N 374.362 4.769 0 1 FJAF Cc1c(F)ccc2c1[C@H](c1c(Br)ccc(Cl)c1F)NCC2 962149429 VVFFLWVLIPVGAP-MRXNPFEDSA-N 372.640 4.924 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccccc1OC1CCCC1 963060204 RMFWZDHLUKFACE-DEOSSOPVSA-N 374.484 4.800 0 1 FJAF CN1CCc2c(Br)cccc2[C@@H]1c1cc(F)ccc1Cl 963270586 PTMRHGNTXJSIDD-MRXNPFEDSA-N 354.650 4.819 0 1 FJAF Cc1cc(Nc2ccc(C(F)(F)F)cc2)n2nc(C(F)(F)F)cc2n1 1772584829 AFTXMXLVAYDLBO-UHFFFAOYSA-N 360.261 4.819 0 1 FJAF C[C@@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N[C@H](C)c1ccccc1 2356388481 HIMNMSPEQUFFGN-CHWSQXEVSA-N 370.836 4.539 0 1 FJAF COC(=O)CC[C@@H]1[C@@H]2CCC[C@@]23CC[C@H]2CN3C[C@@H](C(C)C)CC[C@]21C 2356545236 HJDGISYATUXIDQ-XWTZPOGNSA-N 361.570 4.893 0 1 FJAF COc1ccccc1SC1c2cccc(O)c2C(=O)c2c(O)cccc21 13757263 KWNUDZJNPZTGRH-UHFFFAOYSA-N 364.422 4.533 0 1 FJAF COc1ccc(C2=C(c3ccccc3Cl)C(=O)N3CCC[C@@H]3C2)cc1 28949746 YSHVDFKUPLHNOA-OAHLLOKOSA-N 353.849 4.654 0 1 FJAF O=C(O)c1ccc2oc(-c3ccc(OCc4ccccc4)cc3)cc(=O)c2c1 29222411 OKDBMPIHXWYQIN-UHFFFAOYSA-N 372.376 4.737 0 1 FJAF c1ccc(COc2cccc(Nc3nccc(-c4nccs4)n3)c2)cc1 34030565 SMHUCMRAVFJCSW-UHFFFAOYSA-N 360.442 4.923 0 1 FJAF Clc1ccc(C2=CCc3ccc(Cl)cc3N=C2N2CCNCC2)cc1 40503881 KHANFSCNEHKVKC-UHFFFAOYSA-N 372.299 4.568 0 1 FJAF Cc1c(Sc2cc(Cl)c(Cl)cc2Cl)[nH]c2nc(N)nc(N)c12 45358278 FAGPXUWNAAPETO-UHFFFAOYSA-N 374.684 4.542 0 1 FJAF O=c1oc(COc2ccc(Cl)cc2Cl)nc2ccc(Cl)cc12 103180996 GOQXDMRMTBMHLG-UHFFFAOYSA-N 356.592 4.727 0 1 FJAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1 113761158 IQVXTALUQDHYGP-HNNXBMFYSA-N 366.486 4.550 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3nccnc3c2)n1 142127784 YDUCEAMJZRDOSN-LJQANCHMSA-N 367.456 4.885 0 1 FJAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1coc2ccccc12 202119652 FFHXHHNIDPSDBY-UHFFFAOYSA-N 361.401 4.586 0 1 FJAF CN1CC[C@@H](c2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1 216017292 IBZOAADXBDSJQX-CQSZACIVSA-N 354.837 4.606 0 1 FJAF OCC12CCC(c3nc4ccc(SC(F)(F)F)cc4[nH]3)(CC1)CC2 586895725 VVQXVMCZMDOFGG-UHFFFAOYSA-N 356.413 4.759 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587013721 XMGKSBHJGFMIBA-UHFFFAOYSA-N 358.414 4.663 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1F 587022121 UWQIKVCGBONXKB-UHFFFAOYSA-N 363.339 4.834 0 1 FJAF Cc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1C 587028960 CRUCPCRNRLFPPB-UHFFFAOYSA-N 359.458 4.701 0 1 FJAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1F 587136430 GFLGZWFVUSNXPH-UHFFFAOYSA-N 365.664 4.902 0 1 FJAF Cc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1C 587167287 LJDSCSRRKCQVCH-QGZVFWFLSA-N 352.413 4.688 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3cccs3)c1)O2 587414225 ROKSJXBLXIIQTL-HXUWFJFHSA-N 365.454 4.924 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(C(C)C)ccc(C)c31)O2 587414989 XGOGDCDFQUYWHN-QFIPXVFZSA-N 351.446 4.652 0 1 FJAF Cc1cc(Cl)cc2c(C(=O)C(F)(F)F)c(-c3cnn(C)c3C)[nH]c12 587624652 QQKFAHBPKFYVDF-UHFFFAOYSA-N 355.747 4.584 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(O)cc2)N1 587826373 AKKGTGICSJUHOO-PMLKMTPKSA-N 362.242 4.583 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(F)c1F 587861349 SCWWPHILKRAVHJ-UHFFFAOYSA-N 354.278 4.845 0 1 FJAF CCC1=C[C@]2(CCC1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188146 VPIVXPLAZDPRJB-WBVHZDCISA-N 373.802 4.673 0 1 FJAF Cc1n(Cc2ccc3ccccc3n2)cc[n+]1Cc1ccc2ccccc2c1 1772599553 LPTGLEKMPDFNEX-UHFFFAOYSA-N 364.472 4.882 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@@H]1Cc1ccccc1O 1857745614 RTHQYQGTISTJNY-FQEVSTJZSA-N 358.437 4.611 0 1 FJAF C[C@@]1(Oc2cccc(F)c2)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61905031 CORIRAIABNHUQD-HSZRJFAPSA-N 362.448 4.931 0 3 FJAF Cn1c(Nc2ccc(F)cc2)nc2cc(-c3ccsc3)sc2c1=O 61927154 QXDBRHMJVQLOAZ-UHFFFAOYSA-N 357.435 4.606 0 3 FJAF OC[C@@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(C2CCCC2)cc1 7992162 NQAJYCGJAFXJBZ-VABKMULXSA-N 350.458 4.780 0 1 FJAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 13560051 OIGLTKDFOFMHSD-UHFFFAOYSA-N 366.436 4.805 0 1 FJAF Cc1cc(CCCCCOc2c(C)cc(C3=NCCO3)cc2Cl)on1 27520602 YEIYUTRUKUEGLR-UHFFFAOYSA-N 362.857 4.513 0 1 FJAF CSc1nnc(-c2cc3c([nH]c4ccccc43)c(-c3ccc(O)cc3)n2)o1 40864847 OFNMAAPBJQVKMA-UHFFFAOYSA-N 374.425 4.861 0 1 FJAF CCCCCOc1ccccc1-c1cc(C(=O)NC2CCCCC2)no1 96913498 YSXOIXMWQLINBB-UHFFFAOYSA-N 356.466 4.973 0 1 FJAF CCCCC/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 169340562 FFKQXPWQNXPZHK-DHZHZOJOSA-N 362.209 4.655 0 1 FJAF CO[C@H]1O[C@@H](OC)C[C@]12CC[C@]1(O2)[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]21C 238742185 DDLXKCMOPRPBNK-HOPNHNDUSA-N 366.542 4.902 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(CO)cc3[nH]2)c1 586882393 RAXCGTDSYJJHEJ-UHFFFAOYSA-N 356.425 4.570 0 1 FJAF Clc1ncc(Br)c2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885299 LWBJCXJJAPBPRL-DIFFPNOSSA-N 374.669 4.745 0 1 FJAF Nc1ccc(-c2ccc3nc(-c4ccc5c(c4O)CCCC5)[nH]c3c2)cc1N 586899370 ZHYIJWVQDDTTMP-UHFFFAOYSA-N 370.456 4.646 0 1 FJAF Brc1cccn2ncc(-c3nc4cc5ccccc5cc4[nH]3)c12 587006077 BRABEEUUPLGKPD-UHFFFAOYSA-N 363.218 4.793 0 1 FJAF Cc1c(-c2nc3cc4ccccc4cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029089 HMCXHJHCMWCEJT-UHFFFAOYSA-N 372.453 4.866 0 1 FJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc3c(c2[nH]1)CCCC3 587113870 OIAYYBMPTNFNRU-INIZCTEOSA-N 359.395 4.703 0 1 FJAF CC(C)(C)c1cccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587154388 FADVXFTZOCOWED-OAQYLSRUSA-N 351.425 4.791 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(N)c1)(c1ccc(C)c(C)c1)O2 587392369 YHBPLBMRUVRDFN-DEOSSOPVSA-N 372.468 4.685 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3c(cc1OCC1CC1)CCC3)O2 587400240 PKNDJKLCFUXCGT-QFIPXVFZSA-N 363.457 4.561 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc(O)cc13)CC2=O 587487223 VYTNHEUZUDHZEE-IBGZPJMESA-N 351.402 4.547 0 1 FJAF C[C@@H]1CCCN(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515584 VIWVMTAYSFADAA-IIBYNOLFSA-N 355.522 4.657 0 1 FJAF Cc1cccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc12 587521874 CAVZFRIMYYWHFJ-FQEVSTJZSA-N 359.425 4.834 0 1 FJAF CCOc1c(OC)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523587 KMYAQXPYKXRHJS-FQEVSTJZSA-N 352.430 4.679 0 1 FJAF CC[C@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535714 NMLDKVIDTAEKDC-HSZRJFAPSA-N 364.441 4.607 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@H]1c1c(C2CC2)[nH]c2c(C(=O)O)cccc12 587638075 CDSBJXSWURROJJ-OAHLLOKOSA-N 370.449 4.816 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587721610 PVHSMNARBVFXBH-XYZCENFISA-N 370.212 4.798 0 1 FJAF Cc1cc2nc(COC/C=C\c3ccccc3)[nH]c2cc1Br 587781175 RKWCZLISGHFZCD-YVMONPNESA-N 357.251 4.864 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)Cc1ccccc1 587863924 FLWZDTDZGLIVPC-UHFFFAOYSA-N 374.362 4.851 0 1 FJAF Cn1cccc1CN1CCc2sccc2C1(c1ccco1)c1ccco1 962370676 GKDQSFFJOLAVNE-UHFFFAOYSA-N 364.470 4.623 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc3cc(C)c(C)cc3[nH]2)N1 962960109 VXRKCGMIWLPQHJ-NPMXOYFQSA-N 358.489 4.849 0 1 FJAF COc1cccc([C@@]2(c3ccc(C)nc3)NCCc3c2sc(C)c3C)c1 963008107 JHFAUONOVRZXND-QFIPXVFZSA-N 364.514 4.515 0 1 FJAF Cc1sc2c(c1C)CCN[C@@]2(C)c1cccc(Br)c1C 963019382 GVMNFDRJVOMFOK-KRWDZBQOSA-N 350.325 4.845 0 1 FJAF Cc1cc(Cl)c(C)c([C@@]2(C)NCCc3c(C(=O)O)cccc32)c1Cl 963130596 KRBXVSZDHKAVDP-IBGZPJMESA-N 364.272 4.718 0 1 FJAF Cn1c(=NCc2ccccc2)[nH]c2cnc(-c3ccc4ccccc4c3)cc21 1857598540 UIZUMDQGKNSSMV-UHFFFAOYSA-N 364.452 4.823 0 1 FJAF COc1cc2ccc(=O)oc2c(OC)c1OCC=C(C)CCC=C(C)C 2356459973 GEBSUJHFARTCMC-UHFFFAOYSA-N 358.434 4.882 0 1 FJAF COc1cc(OC)c([C@H]2C[C@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1 2382227540 ZMVSPUCPYUARLO-GGBXQBQZSA-N 352.446 4.707 0 1 FJAF CCN(CC)c1cc(C)c2cc(NC(=O)c3ccc(F)cc3)ccc2n1 3894413 ZEYXJTTXIPUABB-UHFFFAOYSA-N 351.425 4.781 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CCO[C@H]2N3C)cc1 13684322 NPANUSRHFVUOKM-IFMALSPDSA-N 366.461 4.875 0 1 FJAF C[C@@H](c1ccccc1)n1c2c(c3c(N)nc(-c4ccccn4)nc31)CCCC2 27525183 XQOYLNYLRFPMPO-HNNXBMFYSA-N 369.472 4.564 0 1 FJAF O=C(c1ccccc1)c1sc(NCc2ccco2)nc1-c1ccco1 40401774 LLLDLOJFFPPLKI-UHFFFAOYSA-N 350.399 4.839 0 1 FJAF CNC(=O)NC(=O)[C@@H](CC1CCCCC1)c1ccc(Cl)c(Cl)c1 49783734 XMMJKZLLOBXNMB-ZDUSSCGKSA-N 357.281 4.503 0 1 FJAF CC(C)(C)C(=O)N1CC[C@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 72104290 WPOMEMRUSBHGPF-QFBILLFUSA-N 363.457 4.889 0 1 FJAF Cc1cccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)c1 72184371 TWVAAJAVXSKIOJ-UHFFFAOYSA-N 362.351 4.838 0 1 FJAF Clc1ccc2[nH]c(-c3ccc(OCCN4CCCCC4)cc3)nc2c1 96282680 JWMNDJKJQTZJKT-UHFFFAOYSA-N 355.869 4.748 0 1 FJAF FC(F)(F)c1cccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)c1 114338059 QOYNRBLJACVNTD-SFHVURJKSA-N 374.410 4.658 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(Br)cc3C[C@@H]1[C@H]2C 195238163 YTONQGWHDGBSSY-XVSDVWIESA-N 364.327 4.645 0 1 FJAF C[C@H]1CCC[C@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201105986 FPSDTUMOZJNGET-QZKYGZFJSA-N 355.522 4.659 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cs1 587021393 MEKKCRSXIIKSND-UHFFFAOYSA-N 350.781 4.922 0 1 FJAF Cc1c(Br)cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1C 587090236 OEBSJWJEUNNWDA-JTQLQIEISA-N 359.548 4.866 0 1 FJAF Nc1ccnc2[nH]c(-c3cccc(CSc4cc(F)ccc4F)c3)nc12 587141115 LNLWDZXJVPYCPD-UHFFFAOYSA-N 368.412 4.778 0 1 FJAF COc1ccc(-c2nc3cccc4c3c(c2CCCCC(=O)O)CC4)cc1 587214498 RHCXGFGSLSMQNT-UHFFFAOYSA-N 361.441 4.806 0 1 FJAF COc1cccc(-c2cc(-c3ccc(O)nn3)nc3c2oc2ccccc23)c1 587363192 OSMZMLHMFBSGLB-UHFFFAOYSA-N 369.380 4.819 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cnccn3)cc1)CC2=O 587487066 CVTBCPRPSOBVHO-OAQYLSRUSA-N 360.413 4.508 0 1 FJAF O=C1C[C@@H](c2c(Cl)nc3ccccn23)Oc2c1ccc1c2CCCC1 587500376 OIYKBJXRVRZINT-INIZCTEOSA-N 352.821 4.573 0 1 FJAF C[C@@]1(c2ccc(O)c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522075 CVNRRSPSALDVEJ-QHCPKHFHSA-N 359.425 4.700 0 1 FJAF CCOc1c(OC)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587523588 KMYAQXPYKXRHJS-HXUWFJFHSA-N 352.430 4.679 0 1 FJAF Cc1ccc(/C=C/[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831724 YBYOLVUNSATMAK-DRYXTDOFSA-N 350.231 4.778 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2Cl)N1 587847804 YLIDLFQGVGSPPQ-FUXBKTLASA-N 360.679 4.927 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cscc2Cl)N1 587853887 OKTZHRKBXYRLES-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF COC(=O)[C@@H]1CC[C@@]2(CC1(C)C)NCCc1cccc(-c3ccccc3)c12 962670878 VKCFYYSIYIHABO-RDPSFJRHSA-N 363.501 4.694 0 1 FJAF C[C@@H](CN)N(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772607271 HLIZJSFTHRNRAI-JTQLQIEISA-N 357.668 4.641 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@H]1Cc1ccccc1O 1857751077 QURFUKFELKABCJ-LJQANCHMSA-N 350.458 4.949 0 1 FJAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@]21C 2356515807 BFGZGYSBSJCPMQ-NSWBFCJJSA-N 374.477 4.679 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2cccc(C)c2)c2ncn(C(C)C)c2c1 61949004 FOVHWQHAZMIYGZ-SFHVURJKSA-N 367.493 4.687 0 3 FJAF FC(F)(F)c1ccc(Nc2cc3c(cn2)ncn3Cc2ccco2)cc1 74388671 JIYXZQBKMLYXCN-UHFFFAOYSA-N 358.323 4.835 0 3 FJAF C[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccs2)nc2ccccc21 95571436 VLQIPFLGKYPKHQ-ZDUSSCGKSA-N 372.453 4.611 0 3 FJAF CCOC(=O)C1=C(C)N=C2Sc3ccccc3N2[C@H]1c1ccccc1 2325215 LSUKCKYLSRSXHN-SFHVURJKSA-N 350.443 4.547 0 1 FJAF C[C@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1 4034445 CBJSRNNINRMSKX-VGOFRKELSA-N 374.396 4.602 0 1 FJAF CO[C@H]1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1 13472043 CYEHCEOAFMAABP-HSZRJFAPSA-N 365.517 4.546 0 1 FJAF COc1ccc(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)c(Cl)c2)cc1 13534101 LCWGREKGDQXJKO-UHFFFAOYSA-N 371.820 4.519 0 1 FJAF O=C(Nc1ccccc1)Nc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1 28900509 PJYJSXWCJLWUFS-XMHGGMMESA-N 355.397 4.823 0 1 FJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCc2ccccc2)C1 29403213 PKDKAGWKUOJCLX-RTWAWAEBSA-N 371.908 4.551 0 1 FJAF O=C(NCC1CC1)c1ccc(OCc2cccc(Cl)c2)c(Cl)c1 40936460 RJXJAKAWVVYSQN-UHFFFAOYSA-N 350.245 4.712 0 1 FJAF COc1ccc2c(c1)OC[C@H]1c3cc(OC)c(O)c(CC=C(C)C)c3O[C@H]21 43123510 VTOUUGNAMKWJPH-LAUBAEHRSA-N 368.429 4.528 0 1 FJAF biogenic C[C@@H](O)c1ccc(-c2ccc3ncnc(NCc4cccs4)c3c2)o1 66123257 KGRCLRAZXIKCTH-GFCCVEGCSA-N 351.431 4.617 0 1 FJAF CC[C@@](C)(CCO[C@H](CO)COC(=O)C[C@@](C)(CC)C(C)C)C(C)C 87723354 BGFPMEIULZPARM-HLAWJBBLSA-N 358.563 4.832 0 1 FJAF CCOc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1cccc(Cl)c1 100807505 HCGQFOIYNNZADP-HNAYVOBHSA-N 358.825 4.508 0 1 FJAF COc1cc(OC)cc(-c2ccc3c(-c4ccc(F)c(C)c4)[nH]nc3n2)c1 140425316 ZKJQRMUCTCAYME-UHFFFAOYSA-N 363.392 4.757 0 1 FJAF in-vivo CCCCC[C@H](C)OC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253632694 AMXGGSMKASENPO-BHPVSCQWSA-N 352.515 4.967 0 1 FJAF CC[C@]1(C)C[C@H]1c1nc2c(Br)ccc(Br)c2[nH]1 586886935 DTKOHVILGKMNRO-WPPNPWJKSA-N 358.077 4.992 0 1 FJAF CCCOc1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1Br 587093668 PLODHPWEHHYWNC-YUMQZZPRSA-N 363.177 4.780 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(Cl)cc2[nH]1)C(C)(C)C 587206563 WRKKFAUFCUMBPL-AWEZNQCLSA-N 351.878 4.698 0 1 FJAF COc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404396 XNORBXSCRBRJBP-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC(C)C)cc1)[C@@H](C2)C3=O 587451344 XHYFCGRWQJOZEU-UWJYYQICSA-N 354.471 4.859 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(F)c(F)c1F)CC2=O 587467895 VDVDVIMQOMSQOZ-IBGZPJMESA-N 350.336 4.643 0 1 FJAF O=C1C[C@H](c2cccc(-c3cncnc3)c2)Oc2c1ccc1c2CCCC1 587516438 XIDBJXDUIFIMGP-JOCHJYFZSA-N 356.425 4.729 0 1 FJAF COc1cc2c(c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1)O[C@H](C)C2 587534895 GTOCDCXOSLWXSU-ASSNKEHSSA-N 364.441 4.604 0 1 FJAF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629593 CXPPQIHUGGVJNB-UHFFFAOYSA-N 357.690 4.916 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2F)N1 587718051 MHSBFAXKSMDKAK-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587951894 JONAYJYNALMITA-VPWXQRGCSA-N 359.514 4.550 0 1 FJAF CN(C)CCOc1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587969377 RTFIQQYJQSDWNB-JLHYYAGUSA-N 357.457 4.827 0 1 FJAF Cc1cccc(C)c1CC[C@@]1(C2CC2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033012 WFSOHNGMVKUJPK-BVZFJXPGSA-N 374.528 4.595 0 1 FJAF Cc1ccc2c(c1)[C@]1(C=C(c3ccccc3)O2)NCCc2c(C)ccnc21 963070556 OFZDCFBDMWZKRU-DEOSSOPVSA-N 354.453 4.521 0 1 FJAF Nc1cccc(-c2nc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cs2)c1 963102766 GBNRZFUCHLSBLP-PXNSSMCTSA-N 365.477 4.641 0 1 FJAF CCCCOCc1c(O)cc(C)c2c1Oc1c(C)cc(O)c(C)c1OC2=O 1857647485 PNEVDBWCRSYOTH-UHFFFAOYSA-N 372.417 4.665 0 1 FJAF C[C@H](NC(=O)c1c(-c2ccc(Cl)cc2)noc1[C@@H](C)O)c1ccccc1 2356631561 GLOQOWHSMRSGLK-QWHCGFSZSA-N 370.836 4.539 0 1 FJAF CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@@H](C)CC)c(O)c12 14586020 PQMOXTJVIYEOQL-ZDUSSCGKSA-N 372.461 4.894 0 1 FJAF endogenous,in-man O=c1c2cc(F)c(-c3ccccc3F)cc2n(C2CC2)c2snc(O)c12 28571248 CNPWWMOSTVQKGJ-UHFFFAOYSA-N 370.380 4.597 0 1 FJAF COc1cccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)c1 28949805 SAQPECWWGZJCNM-UHFFFAOYSA-N 371.392 4.881 0 1 FJAF Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3ccc(F)cc3)n2)c1 35279706 KRTFDXWHQKBIDM-GOSISDBHSA-N 365.408 4.552 0 1 FJAF COc1ccc(CCCC(=O)N2CCS[C@H]2c2ccc(C)c(C)c2)cc1 40767132 MBZSHUCTQIZEFW-QFIPXVFZSA-N 369.530 4.909 0 1 FJAF O=C(O)C[C@H](O)CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1 45298568 OEACPQMNTMJNAD-HXUWFJFHSA-N 362.425 4.914 0 1 FJAF Clc1ccc2c(NCCCN3CCc4ccccc4C3)ccnc2c1 64573631 CJHQOXVRJMZKRI-UHFFFAOYSA-N 351.881 4.749 0 1 FJAF COc1ccccc1CCNCc1coc(-c2cccc3ccccc23)n1 72183399 JVOBCZMQODMUHD-UHFFFAOYSA-N 358.441 4.836 0 1 FJAF Cc1ccc(Nc2snc(O)c2C(=N)NCC2CCCCC2)c(C)c1 101046686 NHSMXFIHGRRTAC-UHFFFAOYSA-N 358.511 4.704 0 1 FJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Cl)c3)[C@@H]12 102938145 NEFBVFIRHDIGMR-SJLPKXTDSA-N 357.240 4.666 0 1 FJAF CCCn1cnc(-c2cc(C(=O)O)ccn2)c1-c1ccc(Cl)c(F)c1 225956837 AMXRJEGTRJTANA-UHFFFAOYSA-N 359.788 4.513 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 299886438 XEOAYELRNLQUJL-JTDSTZFVSA-N 366.509 4.663 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3ccc(C)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062655 ZPPFKXHMLDJSFM-KUHUBIRLSA-N 353.853 4.602 0 1 FJAF COc1cc(OC)c2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2c1 587065917 FBXKXITVXJZHBT-UHFFFAOYSA-N 367.836 5.000 0 1 FJAF COc1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077409 XANWDHPROIXWMW-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF O=C(O)Cc1c(-c2cccs2)nc2cccc3c2c1-c1ccccc1C3=O 587208762 ZBVLAMFOYWPUGG-UHFFFAOYSA-N 371.417 4.802 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(C(F)(F)F)c1)(C1CC1)O2 587381454 JEJVHAQLPKOBHL-IBGZPJMESA-N 361.363 4.867 0 1 FJAF CCc1ccc(-n2cccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587432580 WRZIWACPCRWPLK-WZONZLPQSA-N 359.425 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc4ccc(OC)cc14)[C@@H](C2)C3=O 587444590 VZAWLAXOHGQHKW-CVDCTZTESA-N 360.409 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Br)s1)CC2=O 587495108 PAGFQPFRVJWICW-ZDUSSCGKSA-N 367.264 4.875 0 1 FJAF CCCCCCc1c(-c2ccc(N)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587650399 KSUKUCSQBGIDGL-UHFFFAOYSA-N 370.518 4.943 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2)N1 587734215 UIWQXMRVGICOLE-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587746119 LKJFPWMHZSUKAW-ADLMAVQZSA-N 359.242 4.937 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnccc23)N1 587776111 BCLZEABADVFINA-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1cc(C)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587810864 YECDCLWABCAMOA-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587818530 ILOPIXBKEZRLNQ-CQAYLWRFSA-N 350.275 4.550 0 1 FJAF CC[C@]12CC[C@H](C[C@]13N[C@@H](C)Cc1ccc(F)c(Br)c13)C2 587828820 QEEZBVCGXASWDK-YDOWWZDFSA-N 352.291 4.918 0 1 FJAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)ccc1OC 587942098 VHJQRIHKHVMENC-UHFFFAOYSA-N 359.809 4.949 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(N2CCOCC2)s1 963230471 POUDDDNZQKNSJN-HTAPYJJXSA-N 370.562 4.505 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(C)c1cc(Cl)sc1Cl 963636665 RMZIGUUTJZCYFV-XLFHBGCDSA-N 372.317 4.870 0 1 FJAF Cn1c(=Nc2ccccc2)[nH]c2cnc(-c3ccc4ccccc4c3)cc21 1857612837 ZVZKTLKJHACFIA-UHFFFAOYSA-N 350.425 4.954 0 1 FJAF COc1cccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)c1 1857618339 ODASYERAUOZWKW-UHFFFAOYSA-N 367.836 4.554 0 1 FJAF C[C@@]12CCC[C@H]1[C@@H]1CC=C3C[C@@H](OC(=O)CC(=O)O)CC[C@]3(C)[C@H]1CC2 1857643160 ANCXIWMCVOPPIQ-CSOYKPOESA-N 360.494 4.726 0 1 FJAF Cc1nc(SCc2nc3c(F)cccc3[nH]2)c2oc3ccccc3c2n1 36380916 HRMBQMFKDKSIGU-UHFFFAOYSA-N 364.405 4.992 0 3 FJAF COc1cccc([C@](C)(O)c2nc(-c3ccc(F)c(Cl)c3)cs2)c1 61898031 OXXDULMTQJYSIP-SFHVURJKSA-N 363.841 4.867 0 3 FJAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61906288 LHFYQPNPJLIUPF-OAHLLOKOSA-N 355.768 4.963 0 3 FJAF CCOC(=O)c1c(-c2ccccc2)nc(C)c(C(=O)SCC)c1CC 13672326 IMLCGZRLENPXMX-UHFFFAOYSA-N 357.475 4.689 0 1 FJAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)[C@H](C)c3c([C@@]4(C)CCCC(C)(C)C4)ccc1c32 14918861 AQSIHMBSEUHXNO-HQLWKMHHSA-N 372.461 4.795 0 1 FJAF biogenic Nc1nnc2c3ccccc3n(Cc3ccccc3)c2c1-c1ccccc1 27105565 SOQUCJMDMMIYNK-UHFFFAOYSA-N 350.425 4.882 0 1 FJAF C[C@H]1[C@@H]2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 29556310 OVRRAJPGDYSIJW-XPEQFSOGSA-N 374.528 4.873 0 1 FJAF Cc1cccnc1[C@H](Oc1cccc(Cl)c1Cl)C1CCNCC1 42922472 ICZPNJDXXLLJEO-GOSISDBHSA-N 351.277 4.817 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49792558 BUHWXYZRRBOVCK-ZDUSSCGKSA-N 351.406 4.544 0 1 FJAF Cc1ccc(N2C(=N)C(=S)N(c3ccc(Br)cc3)C2=O)cc1 69061599 VFDQXCJFLCPFEG-UHFFFAOYSA-N 374.263 4.509 0 1 FJAF CSc1ccc([C@@H](O)c2nnc(Nc3cccc(Cl)c3)s2)cc1 82078542 PIKAMKUBKBQMPV-CQSZACIVSA-N 363.895 4.739 0 1 FJAF OCc1cccc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 586894880 FUDYDDQSXYGKGR-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3cc(Br)cnc3[nH]2)cc1 586899457 XLQDCSPXQRMOFP-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Cc1cc(Br)cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587037378 USHOCQJRONMDHF-ZDUSSCGKSA-N 363.280 4.552 0 1 FJAF CC(C)[C@H](c1nc2cc(Cl)c(F)cc2[nH]1)N(C)C(=O)OC(C)(C)C 587197763 MYQGVIIWAJBKCW-CQSZACIVSA-N 355.841 4.919 0 1 FJAF COC(=O)Nc1ccc(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)cc1 587244089 WOEYBJSWCRSCIO-UHFFFAOYSA-N 353.275 4.566 0 1 FJAF C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332149 JEJXKUXWODGMTG-UNMCSNQZSA-N 366.363 4.945 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587418024 GMFRUAKHAYYTEI-KGWSRGFLSA-N 354.833 4.658 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ccnc(Cl)c13)CC2=O 587463092 WCFZLTSCVGLYLV-KRWDZBQOSA-N 370.836 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC)c1OCC)CC2=O 587483233 VZXXHRZDCPRAIV-FQEVSTJZSA-N 370.445 4.849 0 1 FJAF O=C1C[C@@H](c2ccc(C(F)(F)F)cc2O)Oc2c1ccc1c2CCCC1 587502819 BKBGUVZMULLLSA-SFHVURJKSA-N 362.347 4.996 0 1 FJAF Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587573378 WDYRXMMZHFUDEE-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2n1 587584489 AMAOXVXWZDQIRG-OFNKIYASSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccccc12 587603910 QCLFYGFROBNCIG-XUZZJYLKSA-N 372.420 4.976 0 1 FJAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631589 PWYZNIASRRAZLR-SNVBAGLBSA-N 370.852 4.735 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ncn(Cc4ccccc4)c3N)c(N)c2c1 587641418 FUXJRNYHZQNVBG-AWEZNQCLSA-N 359.477 4.758 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2F)N1 587725168 BRPBABCXJWGEOF-XYZCENFISA-N 370.212 4.664 0 1 FJAF COc1ccc(C)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810939 YLZDSHALKDJKLQ-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C2CC2)N1 587813434 CSKVKSQIFGGOLB-RBZFPXEDSA-N 374.297 4.970 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccco2)N1 587826901 GPERPGPCDFJBBF-GTNSWQLSSA-N 352.247 4.563 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccccc1OC 587865706 FVNYODSFASXOQE-UHFFFAOYSA-N 362.351 4.965 0 1 FJAF C[C@H]1CCc2sc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2C1 587875364 DJSLKLBIDMOOTP-JTQLQIEISA-N 354.406 4.670 0 1 FJAF Oc1cc(-c2ccco2)c(O)n1-c1cc(Cl)cc(Br)c1 587941155 QCBZNGJURBMVKM-UHFFFAOYSA-N 354.587 4.564 0 1 FJAF O=C(NCc1ccc(-c2ccccc2)cc1)c1coc(-c2ccccc2O)n1 653757237 YWZVMMYUKPHRRO-UHFFFAOYSA-N 370.408 4.644 0 1 FJAF O=c1oc2ccccc2c(Cl)c1[C@H]1c2c(F)cccc2C[C@@H]2CCCN21 963093487 BTXGYYMBKRPBJB-RNODOKPDSA-N 369.823 4.695 0 1 FJAF CCOC(C)(C)C=Cc1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2 2356526948 PZZWLFMEWDOQAF-UHFFFAOYSA-N 370.445 4.814 0 1 FJAF Cc1nc(SCCc2nc3ccccc3[nH]2)c2oc3ccccc3c2n1 36380936 OQVRGZHUBHWBLA-UHFFFAOYSA-N 360.442 4.896 0 3 FJAF CC(=O)Nc1cccc(-c2csc([C@H](O)c3cccc(Cl)c3)n2)c1 61898885 HUHNURIQIXBJKF-QGZVFWFLSA-N 358.850 4.504 0 3 FJAF COc1ccc(Oc2cc(=O)c3c(O)cc(O)c(CC=C(C)C)c3o2)cc1 14814674 XHMYANYRIDZIHX-UHFFFAOYSA-N 368.385 4.514 0 1 FJAF biogenic O=C(O)[C@H](CCC/C=C(\c1ccccc1)c1cccnc1)C1(O)CCCC1 26748788 RMGIQMMAMCZIQM-HNLWVNFGSA-N 365.473 4.690 0 1 FJAF COc1ccc2oc(N[C@H](Cc3ccc(F)cc3)c3ccccn3)nc2c1 28003344 GSZDCEQIGPBQOA-GOSISDBHSA-N 363.392 4.766 0 1 FJAF COc1cccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)c1 28826828 ZJUJNIMJBGGYHU-UHFFFAOYSA-N 370.451 4.831 0 1 FJAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2ccc(Cl)cc2c1=O 29479194 VAIRGGJNURCERD-ZRDIBKRKSA-N 373.843 4.913 0 1 FJAF C[C@@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1)c1cccc2ccccc12 36476028 KVMPYEHGZNAKJG-ZPMCFJSWSA-N 373.500 4.627 0 1 FJAF CN1Cc2cc(-c3cncnc3)ccc2[C@@H](c2cc3ccccc3s2)C1 43104633 HAQQTPCJCLWUMT-FQEVSTJZSA-N 357.482 4.936 0 1 FJAF Cc1ccccc1N1CCN(c2ccc(C(=O)Nc3ccccc3)cc2)CC1 45191710 AAPVFDRXEALVPS-UHFFFAOYSA-N 371.484 4.574 0 1 FJAF Cc1ccc2[nH]c(=O)c3c(c2c1)Nc1ccc(Br)cc1S3 64415790 LEGGRFUJQALHBC-UHFFFAOYSA-N 359.248 4.807 0 1 FJAF O[C@H](CSc1ccccc1F)Cn1c2c(c3ccccc31)CCCC2 84690118 BQXTVXKBKBWXGX-HNNXBMFYSA-N 355.478 4.812 0 1 FJAF O=C(CCC(=O)c1ccccc1)Nc1nc2cc(Cl)c(F)cc2s1 95574152 BWEBTENEPBCHLB-UHFFFAOYSA-N 362.813 4.690 0 1 FJAF CCc1cccc(CC)c1NC(=O)[C@@H](CC)Sc1nc2cc[nH]cc-2n1 102300589 WKLJKSYACVPCBY-QGZVFWFLSA-N 368.506 4.544 0 1 FJAF COc1cccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)c(F)c2)c1 113981919 XEQJVYACUJGESM-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF O=C(CCCN1CC[C@@]2(c3cccc(O)c3)CC[C@H]1C2)c1ccc(F)cc1 140966545 IOCSRYQDPSCMCH-REWPJTCUSA-N 367.464 4.690 0 1 FJAF C[C@@H]1CCCCN1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988357 PWRDNTSQGOOUIV-CQSZACIVSA-N 358.441 4.526 0 1 FJAF Cc1ccc2nc(-c3csc4c3CN(C(=O)OC(C)(C)C)CC4)[nH]c2c1 587032620 ZFBIUUXOOOYYTF-UHFFFAOYSA-N 369.490 4.893 0 1 FJAF COc1ccc2nc(-c3nc4c(Br)cc(C)cc4[nH]3)sc2c1 587034944 KLVQSTKZYQWUSS-UHFFFAOYSA-N 374.263 4.919 0 1 FJAF Cc1ccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c2c1 587116574 HXHUBGWWPXPRNQ-UHFFFAOYSA-N 368.790 4.860 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587148339 BLYPEXZFNNFWCO-INIZCTEOSA-N 352.800 4.952 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2ccc(Br)cc2[nH]1 587228065 HFUWVCAPHBLSEY-UHFFFAOYSA-N 374.282 4.687 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3ccccc3C)s1)O2 587412223 IFICHYNDNFEISW-KRWDZBQOSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@@H](C)N3CC)CC2=O 587474002 BLWVCKPSHOTKDG-JLCFBVMHSA-N 365.473 4.822 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3cccnc3)C1)CC2=O 587486564 CUDYMZWLJGLSPU-IVZQSRNASA-N 351.446 4.802 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587538598 PWOPIDVKBDIRRZ-JOCHJYFZSA-N 366.482 4.931 0 1 FJAF C[C@@]1([C@@H]2C[C@H]2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600362 AZJPXBQUWBOFDS-WQNDALKBSA-N 372.420 4.916 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)F)N1 587714024 DZMGMPWIUMGFSO-QGHHPUGFSA-N 370.212 4.631 0 1 FJAF CCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849648 UXBNZIOUZVHEKV-JDNHERCYSA-N 354.288 4.836 0 1 FJAF COc1cc(C)ccc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587925351 MYADMJOFWLAEPC-UHFFFAOYSA-N 357.282 4.596 0 1 FJAF FC(F)(F)C(F)(F)c1cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2cn1 587961684 SRRDNAWFSBWLFM-RYUDHWBXSA-N 367.321 4.958 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccccc1)Oc1ccccc1-2 653861067 NEUBHDUDRGPTFB-KRWDZBQOSA-N 354.520 4.770 0 1 FJAF Cc1ccc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962636850 JGFIEYJHLPXUCO-DHLKQENFSA-N 372.487 4.970 0 1 FJAF O=c1c2ccccc2nc(-c2ccccc2)n1-c1ccc(F)c(Cl)c1 1772590553 ODFBCWYSWITNCW-UHFFFAOYSA-N 350.780 4.845 0 1 FJAF COc1ccc(-c2ccc(OCC3CCN(CC4CC4)CC3)cc2)cc1 13730060 DRJKFKHAUSWTAY-UHFFFAOYSA-N 351.490 4.863 0 1 FJAF Cc1ccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)cc1 28821372 ROVYURHDYDKHRR-UHFFFAOYSA-N 358.485 4.543 0 1 FJAF O=C(/C=C/C=C/CCCCCCc1ccc2c(c1)OCO2)N1CCCC1 39052962 HQVOLKBRDWRKFF-RZYXTZOYSA-N 355.478 4.643 0 1 FJAF COc1ccc(Oc2ccc(-c3cc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 45357484 VPCHGKOGCHZICC-UHFFFAOYSA-N 358.397 4.735 0 1 FJAF Cc1ccc([C@](O)(c2ccc(OC(C)C)cc2)c2cccnc2)c(F)c1 72185550 NJEGXNWAXCQLTJ-QFIPXVFZSA-N 351.421 4.601 0 1 FJAF O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3ccccn3)n[nH]c2c1 96273703 BPGUPPRJBLLMOX-JDCCHMEXSA-N 364.408 4.621 0 1 FJAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1 103225138 PWZJUYIUSIUYGS-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103930405 QSZWYOFXJNDHEX-HXUWFJFHSA-N 368.452 4.646 0 1 FJAF CC(C)(C)c1cccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007274 GCSWPTBGTNJTDJ-UHFFFAOYSA-N 369.266 4.938 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587080025 KAVOHVICCQXTHU-UHFFFAOYSA-N 374.227 4.659 0 1 FJAF Fc1ccc2[nH]cc(Cc3nc4ccc(F)c(Br)c4[nH]3)c2c1 587174046 DKYQWQMBKJJVKG-UHFFFAOYSA-N 362.177 4.676 0 1 FJAF C=CC(=O)Nc1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 587245111 XNOJFHVFJVGHPU-UHFFFAOYSA-N 370.250 4.734 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)cc1Cl)CC2=O 587458822 BLGDJOXASYSIGD-SFHVURJKSA-N 366.244 4.927 0 1 FJAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1 587513442 SLUVBVKGKIYDOZ-OAQYLSRUSA-N 358.441 4.672 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cccnc23)N1 587779323 QWMDVROKPFVREO-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CC1=C(Cc2ccccc2)[C@H](C)N=C(Nc2nc(C)c3cc(C)ccc3n2)N1 653882816 BZGUNBRMNJLXOA-HNNXBMFYSA-N 371.488 4.523 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(NC(=O)CC)cc1 963235397 WCUQBLIQRWHHLJ-UZUQRXQVSA-N 350.506 4.955 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CN)c4ccccc43)CC2)CC1 1857585355 IPYIZXVSNKMLOX-PUZFROQSSA-N 353.554 4.952 0 1 FJAF COc1ccc(-c2cnc3ccc(-c4cccc(C(C)C)c4)nn23)cc1O 2382245965 WLHVGDISSREMKX-UHFFFAOYSA-N 359.429 4.901 0 1 FJAF CN(C)C[C@@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2sccc21 6995946 YKADOOIFTVIBPM-WJPUGNRLSA-N 373.587 4.958 0 3 FJAF CSc1ccccc1N1C(=O)N[C@@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 2468494 LEYWSAVZBHNGAB-FZKQIMNGSA-N 360.866 4.832 0 1 FJAF CC(C)=C[C@H](Cc1ccccc1)S(=O)(=O)c1nc2ccccc2s1 5601565 WLJOHDSGEBQULH-MRXNPFEDSA-N 357.500 4.648 0 1 FJAF CCC(=O)c1cc(Cl)c(O[C@H](C(=O)O)c2ccccc2)c(Cl)c1 13646477 KKRZIQSSHRSOKO-HNNXBMFYSA-N 353.201 4.791 0 1 FJAF Cc1nc(C(=O)Nc2ccccc2C(F)(F)F)c(C)n1-c1ccccc1 66097458 FBFJPURHRHWDAU-UHFFFAOYSA-N 359.351 4.760 0 1 FJAF Cc1ccc([C@@](O)(c2ccc(OC(C)C)cc2)c2cccnc2)c(F)c1 72185549 NJEGXNWAXCQLTJ-JOCHJYFZSA-N 351.421 4.601 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1cccc(Br)c1 84687640 WYSNTAKSJKNZBG-UHFFFAOYSA-N 356.672 4.899 0 1 FJAF COc1ccc(OC)c(-c2cc3c4c(nccc4n2)-c2ccccc2C3=O)c1 96934770 QMYRUDILYWVIAL-UHFFFAOYSA-N 368.392 4.525 0 1 FJAF C[C@H](COC(=O)c1ccc(Cl)cc1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935058 IDHUOJJAURWZDB-HKAGCZBPSA-N 350.886 4.710 0 1 FJAF Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1-c1ccccn1 101597483 IFECXWXIRISMEZ-UHFFFAOYSA-N 351.413 4.665 0 1 FJAF CCOc1cc2c(cc1O)[C@@H](N=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716428 XTKQMZHRXYZSNP-UTKBIAHGSA-N 359.466 4.663 0 1 FJAF Cc1cc(Cc2nc3cc(Cl)c(Cl)nc3[nH]2)ccc1Br 586977791 SGRWWXATUZLUQO-UHFFFAOYSA-N 371.065 4.926 0 1 FJAF CC(C)C[C@H](CN(C)C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989101 WOHHKZIZJZNEDC-OAHLLOKOSA-N 374.484 4.843 0 1 FJAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cccc(C(=O)O)c2[nH]1 587247683 QFIQARRPEKIXPR-UHFFFAOYSA-N 373.412 4.676 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)Oc3ccccc31)O2 587410856 GRZRUYMGOXFTAM-VWNXMTODSA-N 371.436 4.962 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(OC)c3n1C)CC2=O 587474448 FAPBWPXLPFJSFG-HXUWFJFHSA-N 365.429 4.552 0 1 FJAF C[C@@]1(c2cccc3cc[nH]c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588013 IYHHEBGEDDLKJV-XXBNENTESA-N 371.392 4.751 0 1 FJAF Cc1ccc([C@H](C)C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587614542 CICWZTDTNZHSIG-GBLZOACLSA-N 364.397 4.818 0 1 FJAF Oc1ccc2c(c1)[C@H](c1cnn(C3CCCC3)c1-c1ccccc1)NCC2 963330280 WFKFUYCYRFTRMC-JOCHJYFZSA-N 359.473 4.606 0 1 FJAF OCc1ccc(-c2nc(-c3ccc(C(F)(F)F)cc3)c3ccccn23)o1 1772597044 ATOPFZSWNZTWKM-UHFFFAOYSA-N 358.319 4.772 0 1 FJAF Cc1ccc2oc(-c3ccc(NCc4ccccn4)c(Cl)c3)nc2n1 1772607002 WTLQPQLELAHETG-UHFFFAOYSA-N 350.809 4.859 0 1 FJAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1 61903257 NGXIGEQZYBBTNA-LJQANCHMSA-N 372.440 4.931 0 3 FJAF COc1cccc(-c2cccc3c2NC(=O)[C@@]3(C)Cc2cccc(F)c2)c1 61908163 WAUBVPUFAMHESR-QHCPKHFHSA-N 361.416 4.954 0 3 FJAF CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(CCc2ccccc2)C[C@@H]1C 5768121 ODPKHHGQKIYCTJ-MIZPHKNDSA-N 364.533 4.771 0 1 FJAF in-man COc1ccc2c(c1)O[C@@H]1c3ccc(OC)c(CC=C(C)C)c3OC[C@@H]21 15115203 YOKYSHXYBLMBOT-PGRDOPGGSA-N 352.430 4.822 0 1 FJAF biogenic CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(O)c(OC)c(OC)c1)O2 15153180 VDEMDVPOVCCUKO-BLVKFPJESA-N 356.418 4.688 0 1 FJAF biogenic COc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1 29126236 OFJXRMIYGCVLOK-UHFFFAOYSA-N 366.804 4.821 0 1 FJAF Cc1ccnc([C@@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)c1 43078117 PWCRFPCCCWITCB-SFHVURJKSA-N 351.277 4.817 0 1 FJAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccccc2F)oc1C 82175816 XYLAYUBTPLQDNR-UHFFFAOYSA-N 366.440 4.791 0 1 FJAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1 299828522 RLVXYFXRWPRDDM-CABZTGNLSA-N 372.778 4.866 0 1 FJAF CCCc1cc(-c2nc(-c3ccc(OCCOC)cc3)cs2)ccn1 299829083 PQPQSBVMCMPDLY-UHFFFAOYSA-N 354.475 4.850 0 1 FJAF COc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2n1 587063812 YLXKRSZHYAQKSN-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cncc(Br)c2[nH]1 587109933 XPURJUYGHLTFJI-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Fc1ncc(Br)cc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587177904 FWIMYWSFWISFSF-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1C 587198466 LRIPWLOCZWCGAT-UHFFFAOYSA-N 370.456 4.706 0 1 FJAF O=C1C[C@@H](c2cccn2CCc2ccccn2)Oc2c1ccc1c2CCCC1 587514530 ZITFXRHHGQFECX-QHCPKHFHSA-N 372.468 4.711 0 1 FJAF CC(C)(C)c1cc(-c2ccc3c(O)nc(O)nc3n2)c2c(c1)C(C)(C)CC2 587562239 SSKSWHWCMXRNHI-UHFFFAOYSA-N 363.461 4.624 0 1 FJAF Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587567390 HLARHNBCEUEMGH-XMSQKQJNSA-N 364.372 4.717 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC(C)(C)C 587859471 JMIFUOJFEUTURF-UHFFFAOYSA-N 372.321 4.777 0 1 FJAF O=C(Nc1cccnc1)c1ccccc1OCc1ccccc1C(F)(F)F 1857550454 FETCVSJJVDMFQJ-UHFFFAOYSA-N 372.346 4.932 0 1 FJAF NC(=O)c1ccc(-c2ccnc(Nc3cccc(-c4ccccc4)c3)n2)cc1 1857637284 SEYKIIXYLAWBHP-UHFFFAOYSA-N 366.424 4.653 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)Nc1ccc(F)cc1-c1ccccc1)C2 1911582761 VMRVZDOCRVNUDB-BCDXTJNWSA-N 354.425 4.666 0 1 FJAF C=CC(C)=CC[C@]1(C(=O)O)[C@H](C)C[C@H](OC(C)=O)[C@@]2(C)C(C)=CCC[C@@H]12 2356628062 FYPQSDLATSBJTO-ZTCOWCNDSA-N 360.494 4.914 0 1 FJAF CC=CC=CC=C1CO[C@](C)(OC)[C@@H]1OCc1c(O)cccc1CCC 2356722307 CMGDDPIWFSGFBB-YADHBBJMSA-N 358.478 4.681 0 1 FJAF Nc1ncc(-c2ccc3c(c2)CC[C@@H]3C(=O)O)cc1-c1ccc(Cl)cc1 2382247525 GWSFVTDGWLQLIO-SFHVURJKSA-N 364.832 4.766 0 1 FJAF CCCCc1nc(CN2CCC[C@@H](C(=O)c3ccc(SC)cc3)C2)c[nH]1 15962210 CVCSSKHCCICILT-QGZVFWFLSA-N 371.550 4.569 0 3 FJAF O=C(NC1CCCCCC1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72139470 ATNHCLGCZFHQHZ-UHFFFAOYSA-N 351.372 4.548 0 3 FJAF COc1ccc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 14488310 HSMDOSKNXLVXIP-SPDQCEQOSA-N 356.418 4.517 0 1 FJAF CCCN(c1nccc(-c2ccc(OC)cc2OC)n1)C(C1CC1)C1CC1 26186717 PKOZSRAEJFSOLT-UHFFFAOYSA-N 367.493 4.566 0 1 FJAF COc1ccc([C@@H]2N=CN[C@@H]2c2c(Cl)cc(OC)cc2Cl)c(F)c1 27080353 ORYPRQVRHNKYJH-DLBZAZTESA-N 369.223 4.564 0 1 FJAF O[C@@H](c1ccccc1)c1nccc2c1[nH]c1ccc(Br)cc12 84670620 FUINDJPWTVFMGF-SFHVURJKSA-N 353.219 4.560 0 1 FJAF biogenic CCCC[C@H](C)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316676 HOCKHWOFIRTBOW-JLNUFZAQSA-N 352.515 4.750 0 1 FJAF O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 169361147 ZYCCDGNCYIZABH-VMVMMMHLSA-N 361.529 4.953 0 1 FJAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@H]2[C@@H]1CCC[C@H]2C 253733513 ZAWHOLMDNIHGEJ-OVQHYBHVSA-N 351.446 4.610 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 299820333 LKCRMGJZGXVDFH-VGCFULBNSA-N 357.538 4.515 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cc(Br)ncc4[nH]3)c2)cc1 586898038 FRQONLWIXJFAHN-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 587050330 ILRLSJMJMLSVPC-UHFFFAOYSA-N 367.758 4.895 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587051131 UUWSWWYGTCIGFI-UHFFFAOYSA-N 369.730 4.740 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1 587059271 NFTDLYNXOIXCJL-HXUWFJFHSA-N 362.816 4.529 0 1 FJAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083226 JZLMNJMXYQKPFJ-INIZCTEOSA-N 372.215 4.809 0 1 FJAF Fc1cc(Br)ccc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587142711 LYTMLVQYJXKMPU-UHFFFAOYSA-N 363.083 4.688 0 1 FJAF Cc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587168471 XIBPYULEIMPHIT-QGZVFWFLSA-N 356.376 4.519 0 1 FJAF Fc1ccc2[nH]cc(Cc3nc4cc(Br)cc(F)c4[nH]3)c2c1 587174914 NYKMZYYBGHZDHN-UHFFFAOYSA-N 362.177 4.676 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(F)cc2[nH]1 587192619 WXYVDGGPTUVUNW-KRWDZBQOSA-N 355.413 4.658 0 1 FJAF C[C@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602409 XIOFWUNTZBRZAO-YOJAFSQSSA-N 374.436 4.991 0 1 FJAF Cc1c(F)cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587723958 ZZXODGZXLXZPBK-HUTHGQBESA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]3CC[C@@H]2C3)N1 587819739 MWEOBJNUZVJZFV-FYMKNAMNSA-N 352.291 4.774 0 1 FJAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587832185 ZHTBIOYKAHXILU-HUTHGQBESA-N 352.247 4.596 0 1 FJAF CSc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587841819 BVHMGQXAOQMDGA-BTDLBPIBSA-N 366.299 4.934 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4c(F)c(F)ccc4[nH]3)cc2)c1 587932090 LQRXHDPNPQVVLT-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF CC(C)N1C[C@@H]2CN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)C[C@H]2C1 618017296 NDCXAZRLHFCLQK-RTBURBONSA-N 363.480 4.750 0 1 FJAF COc1ccc(-c2cc(C(=O)N(C)[C@@H](C)c3ccccc3)co2)cc1OC 621431155 UTHRUOACHFDQKJ-HNNXBMFYSA-N 365.429 4.797 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@@]3(c2ccccc2)c2ncc[nH]2)cc1 962659239 FFYFXFRMSYJJIY-XMMPIXPASA-N 351.453 4.514 0 1 FJAF Fc1cc(Cl)ccc1Cn1c(=NCc2ccco2)[nH]c2ccccc21 1857605482 XFAHTPYWKUWKQZ-UHFFFAOYSA-N 355.800 4.504 0 1 FJAF Clc1ccc(C[N@@]2C[C@@H]2COc2cccc3cnccc23)c(Cl)c1 1857742798 FAXVDFJZIAPIMJ-MWTRTKDXSA-N 359.256 4.805 0 1 FJAF CC(C=C[C@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=CCc1c(O)cc(C)c(C=O)c1O 2356495997 AQCKKGIVKOHRLM-SAHWJRBASA-N 370.489 4.905 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2[C@@]1(C)C=CC(=O)O1 2356822470 FVVRWVBGHVCJSE-LRBBLMIVSA-N 370.533 4.798 0 1 FJAF C/C1=C\[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 13827625 XUVXBQLHPFQADG-FVFAMYAFSA-N 358.478 4.627 0 1 FJAF COc1ccc(Cl)cc1-c1nc(N)cc(Nc2ccc(Cl)cc2)n1 26386200 WLAHVWKLBJSKHV-UHFFFAOYSA-N 361.232 4.785 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccncc1)[C@@H]2O 28568419 SOWVSBMETYFGLF-STLZSAKFSA-N 361.485 4.698 0 1 FJAF in-vivo Oc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)cc1 34660124 CFCFEXCFOQWYQK-UPVQGACJSA-N 373.496 4.862 0 1 FJAF CN(C/C=C/c1ccc(C[C@@H](C(=O)O)n2cccc2)cc1)c1ccccc1 40918916 SGEQJIBDLCPLBU-DORXLWPQSA-N 360.457 4.506 0 1 FJAF Cc1ccc(CNc2ncnc3ccc(-c4sc(C)nc4C)cc23)o1 64480302 AKVAIICAVUTPTN-UHFFFAOYSA-N 350.447 4.884 0 1 FJAF Brc1ccccc1-c1nc(CN[C@@H]2CCc3ccccc32)co1 72101166 SBNIIIXQTMZGTB-GOSISDBHSA-N 369.262 4.881 0 1 FJAF Cc1ccccc1-c1nc(CN2CCN(c3cccc(Cl)c3)CC2)co1 72185610 INAHNBOFTCGQRF-UHFFFAOYSA-N 367.880 4.626 0 1 FJAF COc1ccc(SC[C@@H](O)COc2ccc(-c3ccccc3)cc2)cc1 84689320 WSQRYGIXUAYHBO-IBGZPJMESA-N 366.482 4.894 0 1 FJAF CC(C)(C)c1ccc(O)c([C@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)c1 96937519 DSCWMQWOFNCXSI-XMMPIXPASA-N 373.452 4.682 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@@H]1COCC1CCCCC1 100823692 MCXWYACNYOTKNC-NWWRLYTCSA-N 350.499 4.578 0 1 FJAF O=C(O)c1c(CCOc2cccc3ccccc23)c2cccc3c2n1CCO3 299851591 GYXCCVUCWNJZJK-UHFFFAOYSA-N 373.408 4.507 0 1 FJAF Cc1cc(Cc2cnc3ccc(O)c4c3c2-c2ccccc2C4=O)cc(C)n1 586988293 OYKGHZCFYINHGT-UHFFFAOYSA-N 366.420 4.754 0 1 FJAF Cc1nsc(N)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102488 VIRDSPUJQQXVCG-UHFFFAOYSA-N 357.438 4.769 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(-c3ncccc3C(F)(F)F)[nH]c2c1 587109218 VRCIUYYNDZKOFF-UHFFFAOYSA-N 367.330 4.875 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(F)c(Br)c2[nH]1 587151622 TUHZDLWDXMKBDX-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF CCCc1nc(-c2nc3cc(SC)ccc3[nH]2)nn1-c1ccccc1F 587155899 ODZPYTJNQXDQBY-UHFFFAOYSA-N 367.453 4.624 0 1 FJAF Nc1c(-c2nc3cc(Br)cc(F)c3[nH]2)ccc2ccccc12 587253251 FVGCQTLXUMXAEL-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)cc1Cl)O2 587382306 OSINXMZVTRNYQL-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1ccc(Cl)s1)O2 587410484 NQOYQXNKJPXLHN-GOSISDBHSA-N 359.834 4.794 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(COCC)c1)CC2=O 587480694 OWHXOCFNJBBEFL-OAQYLSRUSA-N 370.445 4.596 0 1 FJAF O=C1C[C@H](c2cnc(-c3ccco3)s2)Oc2c1ccc1c2CCCC1 587535158 IRIFQYOYXNDYRG-QGZVFWFLSA-N 351.427 4.988 0 1 FJAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603021 KMCLTJAXSKEGMJ-OCSXPRQTSA-N 364.441 4.795 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(C(F)F)c2)N1 587719712 RAMSXDIXRJMSOE-VXJOIVPMSA-N 371.200 4.544 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3occc23)N1 587828570 OIAFGYYSTDLVHC-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C)c1C 587862204 HNOABWUNVMHBOE-UHFFFAOYSA-N 374.362 4.883 0 1 FJAF O=C(c1cc2ccccc2n1-c1ccc(Cl)c(Cl)c1)N1CC(F)C1 2382254735 NCHHKUCTVNEYON-UHFFFAOYSA-N 363.219 4.731 0 1 FJAF CC(C)C[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446375 SGHSVADHKSBPNW-INIZCTEOSA-N 371.352 4.505 0 1 FJAF Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c(C)c1 14977028 XNQKRHGPWPVZTM-SFHVURJKSA-N 354.446 4.656 0 1 FJAF Cc1nc(-n2nc(-c3ccccc3)cc2-c2ccccc2)sc1C(=O)O 40402797 AODKKWUXLUPDOR-UHFFFAOYSA-N 361.426 4.669 0 1 FJAF Cc1cccc(Nc2nc(-c3ccnc(OCCCN(C)C)c3)cs2)c1 72112251 WQDCZOOCHFYVOC-UHFFFAOYSA-N 368.506 4.588 0 1 FJAF CC1(C)C[C@@H](NC(=S)Nc2cccc(Cl)c2)c2cc(N)ccc2O1 72175396 ZAOYJTXARIGJEH-OAHLLOKOSA-N 361.898 4.511 0 1 FJAF Cc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1C 95566710 AWZVHCWUAXKFFK-UHFFFAOYSA-N 367.456 4.830 0 1 FJAF O=C(Nc1ccccc1)N1C[C@@H](Cc2ccccc2)C(c2ccccc2)=N1 95578881 ZMNUYNSZJGYBBQ-HXUWFJFHSA-N 355.441 4.797 0 1 FJAF C=Cc1cccc(-c2cc3c(cc2C(=O)OC)OCO3)c1N(C)CCCC 96909166 QEXMIMBWUZSVLT-UHFFFAOYSA-N 367.445 4.748 0 1 FJAF COc1ccc(C[C@@H]2C[C@H](Cc3ccc(OC)cc3)[C@H]3CC[C@H]2N3C)cc1 101027922 GVXUWMUJULZCIL-WNXIRNOKSA-N 365.517 4.588 0 1 FJAF Cn1c2c(c(=O)n1-c1c(Cl)cccc1Cl)[C@H]1CC[C@]2(C)C1(C)C 141466722 OOBNDFSIHFWGOH-MGNBDDOMSA-N 351.277 4.658 0 1 FJAF CCO[C@@H]1CC[C@H]2[C@@H](CC[C@@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 195514623 ZOYLVBQKNCQNAG-WWGVNKNCSA-N 366.505 4.622 0 1 FJAF Cc1cccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 299867610 QJMVRFHARZVUJE-UHFFFAOYSA-N 368.480 4.523 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587049310 GJWZEGWKTMEHCM-UHFFFAOYSA-N 355.612 4.544 0 1 FJAF C[C@@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc(Cl)cn1 587079402 JMDLUNBJPCDHDH-LURJTMIESA-N 365.142 4.574 0 1 FJAF NCc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 587247325 YVSAGDFOSYVHEH-UHFFFAOYSA-N 356.454 4.965 0 1 FJAF O=C(c1cnn(-c2ccccc2)c1C(F)(F)F)c1coc2ccccc12 587280864 DUTMDIKWBBGVHI-UHFFFAOYSA-N 356.303 4.868 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3c(F)cccc3F)o1)O2 587382755 UPLURDPMFRKRPR-GOSISDBHSA-N 355.340 4.822 0 1 FJAF CC[C@@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423413 YFYYRYOJJMVKQY-BEFAXECRSA-N 362.347 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(C(F)(F)F)c1)CC2=O 587462021 ONSFWSNCAFGKJN-KRWDZBQOSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3nc(C)oc13)CC2=O 587487864 XWRPGIGKDRGXIK-OAQYLSRUSA-N 351.402 4.675 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(=O)C3CC3)c1)CC2=O 587491344 XFOMFVXMQQGMKG-FQEVSTJZSA-N 350.414 4.644 0 1 FJAF C[C@H](C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587510205 GCWPYGYDUCVPFN-PEBXRYMYSA-N 373.493 4.593 0 1 FJAF CC(C)COc1cccc(OCc2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587565884 MCGTYDHWKMKKAB-UHFFFAOYSA-N 366.248 4.879 0 1 FJAF Cc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602039 IJBJDWRIQWYNHK-URXFXBBRSA-N 372.420 4.968 0 1 FJAF CC(C)CSC[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615350 XGFPTQVPKJWDSI-FXAWDEMLSA-N 358.459 4.502 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Cl)N1 587694901 MPRKGFUTAHSBBJ-ZKANADHPSA-N 370.649 4.571 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccnc2-c2ccncc2)N1 962955601 MTDNIRAFYHZLHE-KSFYIVLOSA-N 354.457 4.639 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1ccc(CSC(F)F)o1 963108739 YDHYDLGESRTXPW-CXAGYDPISA-N 353.409 4.984 0 1 FJAF COc1cccc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1 13828565 LKLZFZUCOQKQKM-UHFFFAOYSA-N 360.417 4.522 0 3 FJAF Fc1cc(C[C@@]2(Cc3ccncc3)c3ccccc3-c3ncccc32)ccn1 3809325 VUKVRXKAIKFRQR-DEOSSOPVSA-N 367.427 4.763 0 1 FJAF CC1=C(C(=N)S)[C@@H](c2ccccc2F)C2=C(O)c3ccccc3C2=N1 6419691 GSDGSISPQVUOOC-MRXNPFEDSA-N 350.418 4.876 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3c(OC)cc4c(c3O2)C=CC(C)(C)O4)cc1 13397630 BIVJHZMNOBBBLR-KRWDZBQOSA-N 366.413 4.595 0 1 FJAF biogenic C[C@@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@@]5(C)[C@@H]4CC[C@@]32CN1C 13783785 GPLGAQQQNWMVMM-YCQKMQFESA-N 356.598 4.810 0 1 FJAF COc1cccc2c(Nc3ccccc3C)c(C(=O)N3CCCC3)cnc12 27081897 WEVWWDXBTQOSCT-UHFFFAOYSA-N 361.445 4.531 0 1 FJAF CN1CCC(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)s2)CC1 28471978 TWUBYHAQGSIDKR-UHFFFAOYSA-N 353.466 4.820 0 1 FJAF CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133498 XUIBOQHCAYSWFE-JSGCOSHPSA-N 368.429 4.674 0 1 FJAF O[C@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 53296130 CUZYESXNFSPXJT-HNNXBMFYSA-N 374.362 4.954 0 1 FJAF Fc1ccc([C@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 72112510 WOPYGCGXARBGTL-JKSUJKDBSA-N 363.223 4.870 0 1 FJAF O=C(CCc1ccccc1)c1ccccc1OC[C@@H](O)CC1CCCC1 73162598 YJSGGXKDBBDVRZ-FQEVSTJZSA-N 352.474 4.822 0 1 FJAF CCOC(=O)C[C@@H](C)Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1 82161079 OITGGDKNKFFGDK-MRXNPFEDSA-N 361.445 4.564 0 1 FJAF COc1cccc(CCNc2cc(-c3ccccc3C(F)(F)F)ncn2)c1 82161186 LKXFNZXVOYCRPF-UHFFFAOYSA-N 373.378 4.826 0 1 FJAF Clc1c(N2CCC(c3ccccc3)CC2)ccn2c(CC3CC3)nnc12 95575061 GLVIOTOHLKXDLX-UHFFFAOYSA-N 366.896 4.719 0 1 FJAF COc1ccc2c(c1)C(=O)N(c1ccccc1)[C@H](c1ccc(C)s1)N2 95582638 LDGAOCKIQINGEV-LJQANCHMSA-N 350.443 4.836 0 1 FJAF CC1(C)[C@H]2Cc3c(O)cccc3[C@@]1(C)CCN2CCOCc1ccccc1 100919869 LTDBLGLPNBHRHX-ISKFKSNPSA-N 365.517 4.523 0 1 FJAF CCOC(=O)c1ccc(OCc2cc3c(cc2OC)CCC(C)(C)O3)cc1 103196828 NDDDQZIDDZZLEK-UHFFFAOYSA-N 370.445 4.555 0 1 FJAF CC(C)NC(=O)N1CCc2ccccc2[C@H]1c1ccc(C(F)(F)F)cc1 169311634 ADWVGSJVDLIDEK-GOSISDBHSA-N 362.395 4.771 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(SC)cc2[nH]1 586915548 FUGXGUGBEHGQFZ-MGPUTAFESA-N 352.459 4.501 0 1 FJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@@H](C)c1nc3ccccc3[nH]1)N2 587030429 DVPUKNVZHPBXMV-KYJZABPNSA-N 370.503 4.690 0 1 FJAF COC(=O)Cc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1C 587363407 SQERYUHEIKFBHU-UHFFFAOYSA-N 361.397 4.681 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(C(C)C)O2 587375649 DYBNXRLATHVSGI-LJQANCHMSA-N 374.278 4.856 0 1 FJAF COc1ccccc1-c1cccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587398606 FURPYNOXLMGEPY-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)cc4C)o1)[C@@H](C2)C3=O 587430061 ZIJVGUKJYQCMIA-KSFYIVLOSA-N 364.372 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc3ccncc13)CC2=O 587492761 XAHAFDGDXNVNJN-KRWDZBQOSA-N 361.441 4.860 0 1 FJAF O=C1C[C@H](c2ccc(O)cc2Br)Oc2c1ccc1c2CCCC1 587503447 ODXAIXRFDFWBBI-GOSISDBHSA-N 373.246 4.740 0 1 FJAF CSC(=C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC 587615608 YUFBNKMUNWFFJM-QFBILLFUSA-N 374.483 4.680 0 1 FJAF NC(=O)c1cccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c12 587951419 ZQCQRTKPKVOKJL-YPKPFQOOSA-N 355.397 4.625 0 1 FJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21CC2CCC1CC2 962964797 ZKNQUXHWZIAUHK-NODKNVJMSA-N 365.439 4.762 0 1 FJAF Cc1c(C(=O)O)cccc1-c1cccc(Nc2nccc(C(F)(F)F)n2)c1 1772569728 DMHGWDPPRIWYFA-UHFFFAOYSA-N 373.334 4.913 0 1 FJAF COc1ccc(-c2cccc(C)c2NCCCn2cnc(C)c2)cc1OC 1772622723 UCURPOUHVINFFH-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@]4(C)CCC[C@]4(O)[C@@H]3CC[C@@]2(C)C1 2356317301 FALJCKNYMNNQLF-JCCSFOSJSA-N 350.543 4.913 0 1 FJAF CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 2356549568 HCYUBEIEJHOEDS-AOMKIAJQSA-N 374.477 4.536 0 1 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccc(F)cc1 96018883 ZKPGZOOTPQLGKQ-PRWBYUBPSA-N 371.839 4.915 0 3 FJAF Cc1nc(C)c(-c2ccnc(Nc3ccc(C(F)(F)F)cc3)n2)s1 603047 MEZFDQUDLQCVNX-UHFFFAOYSA-N 350.369 4.979 0 1 FJAF in-vivo COc1ccc(Nc2ncc(C(=O)N3CCCCC3)c3ccccc23)cc1 2458840 SWNVETDNYTXZOE-UHFFFAOYSA-N 361.445 4.613 0 1 FJAF CN(C(=O)Cc1cccc2sccc12)[C@@H]1CCCC[C@H]1N1CCCCC1 27900436 PCSNJPSRIZXIRW-WOJBJXKFSA-N 370.562 4.699 0 1 FJAF COc1ccc(-c2nc(-c3nnc(S)o3)cc3c2[nH]c2ccccc23)cc1 40379664 OHAITUFTBNNVEO-UHFFFAOYSA-N 374.425 4.730 0 1 FJAF O=C1Nc2c(ccc(F)c2F)[C@@]1(CC1CCCCC1)c1ccc(O)cc1 64548956 LUUXAIHMDYVVCH-OAQYLSRUSA-N 357.400 4.879 0 1 FJAF CN(C)CCCNc1ccc(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cc1 64549575 ZRXYICKCMRZHBU-VQTJNVASSA-N 356.897 4.690 0 1 FJAF COc1cccc(CNc2cc(Oc3ccccc3Cl)ncn2)c1OC 82067696 IKPNOIQMBKYZTJ-UHFFFAOYSA-N 371.824 4.552 0 1 FJAF CC(C)=C1OC(=O)N(c2cc(OC3CCCCC3)c(Cl)cc2F)C1=O 103294473 TYGLABWMKYNHOG-UHFFFAOYSA-N 367.804 4.968 0 1 FJAF CC(=O)O[C@@H](C[C@]1(C)[C@@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 137670848 DZAYTXGDCMMRGZ-IDACNRTESA-N 372.461 4.590 0 1 FJAF Oc1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(F)cc2)n1 169726289 IARLBHSZNIZUSF-INIZCTEOSA-N 373.840 4.997 0 1 FJAF CN(C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C)c1ccccc1 202973758 QBSLGQKCSOHHBR-XRXFAXGQSA-N 368.908 4.569 0 1 FJAF CCCCC[C@H](C)OC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253632695 AMXGGSMKASENPO-HRQUJYDASA-N 352.515 4.967 0 1 FJAF Brc1ccc2nc(-c3ncsc3-c3ccccc3)[nH]c2n1 587028333 RWNLECKTOPYCIM-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF Oc1nccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587039349 DDQBVZSIBXWHMY-UHFFFAOYSA-N 360.442 4.509 0 1 FJAF CC(C)[C@H](c1nc2ccc3ncccc3c2[nH]1)N(C)C(=O)OC(C)(C)C 587197729 LOCIDPFENDWFJS-QGZVFWFLSA-N 354.454 4.675 0 1 FJAF CCCCCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399687 JCHYIMQFGLXENH-FQEVSTJZSA-N 369.461 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](C)Oc2ccc(F)cc21 587471728 MTGMGNOXQVISQK-QKVFXAPYSA-N 356.393 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1coc3ccc(OC)cc13)CC2=O 587477166 DMBKSSUUEUKGQB-QFIPXVFZSA-N 366.413 4.980 0 1 FJAF O=C1C[C@@H](c2ncc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587504003 DQYKBCMVQCYSRM-ZDUSSCGKSA-N 353.365 4.747 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccccc1F 587656103 WEHVFVPCXSNXBW-UHFFFAOYSA-N 366.342 4.529 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587717963 LXHIDBZKOJYBIG-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF COc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C 587804068 AHBWBPVSCGYENP-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]ccc3c2)N1 587807669 XRVHHTMKGHYCTL-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)c(F)cc1F 587860872 HNVYESNUEGWNEU-UHFFFAOYSA-N 372.268 4.984 0 1 FJAF CC[C@@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962772340 VZDVVHCTDYRUAJ-ICSRJNTNSA-N 361.407 4.603 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3cc(CC=C(C)C)c(OC)cc3O2)cc1 1857750047 VVJBWDUCGKQYGY-NRFANRHFSA-N 352.430 4.919 0 1 FJAF COc1cccc(NC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)c1 2382223413 GGAPXVRTURCOGV-UHFFFAOYSA-N 364.449 4.822 0 1 FJAF Cc1[nH]c2ccccc2c1CC(=O)Nc1ccc(Nc2ccncc2)cc1 199264070 CUXROSZSXPUOOI-UHFFFAOYSA-N 356.429 4.796 0 3 FJAF O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccc(Cl)cc1 6863198 SKWPOLGMCGTPBM-UHFFFAOYSA-N 353.809 4.521 0 1 FJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)c3cc(Cl)ccc23)O1 27872975 ZWTXDHXYESDLCS-MNOVXSKESA-N 373.663 4.799 0 1 FJAF O=C(O)CCCCCCCc1ccc2c(c1)C(=O)c1ccccc1CO2 39219679 SBUAPJCFLFRBSF-UHFFFAOYSA-N 352.430 4.778 0 1 FJAF COC(=O)/C=C/C=C/[C@H]1[C@H](/C=C/C=C/CCCC(=O)O)C=C[C@@H]2CCC[C@H]21 49033921 FMNXZOPVRFLFPQ-ORXNZJJHSA-N 370.489 4.858 0 1 FJAF CCCCC[C@@H](C)NCc1coc(-c2ccc(OCCOCC)cc2)n1 72186300 GMYNETBOGJVILG-QGZVFWFLSA-N 360.498 4.815 0 1 FJAF Cn1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)c1-c1ccccc1 96938279 UQYUNIKJXTZLEZ-UHFFFAOYSA-N 361.426 4.576 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 104083855 QUPDBGPFWSJQBK-FQEVSTJZSA-N 355.434 4.882 0 1 FJAF c1ccc(CN2CCN3C[C@@H](c4ccccc4)c4ccccc4[C@H]3C2)cc1 167501044 GYLOKBQKBMWTMJ-LOSJGSFVSA-N 354.497 4.691 0 1 FJAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 195517644 YQDIZAHKTNEAGG-VAKZPMALSA-N 370.452 4.729 0 1 FJAF COc1cccc2c(NCc3ccccc3)nc(Cc3ccccc3)nc12 218994570 SXUYUHJBLUDGEK-UHFFFAOYSA-N 355.441 4.841 0 1 FJAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1 299828520 RLVXYFXRWPRDDM-BXKDBHETSA-N 372.778 4.866 0 1 FJAF COc1cc(OC)cc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c1 299835930 FAZQSDYDVXUOKT-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc2[nH]ccc12 299856472 IVMRISUWLAMZAQ-LLVKDONJSA-N 363.244 4.558 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cnc4ccoc4c3)nc3ccc(O)c1c23 586989647 NSXQZXQORUQKCE-UHFFFAOYSA-N 364.360 4.960 0 1 FJAF CN(C)C(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052174 XNCSIVLKCVJOCL-NEPJUHHUSA-N 374.271 4.843 0 1 FJAF Oc1nc2cc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3cc2[nH]1 587076723 MKRZMWZKLBPMLK-UHFFFAOYSA-N 361.792 4.527 0 1 FJAF CCOC(=O)[C@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105583 AENFMYRXNMZMOK-XMMPIXPASA-N 371.436 4.504 0 1 FJAF Cc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587149029 FUYAHGARLFLIBS-GOSISDBHSA-N 351.356 4.713 0 1 FJAF Cc1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587337700 MKRVKJDUUFUTBH-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(OCC3CC3)c1)CC2=O 587467905 UPZQLCASPYUZEC-HXUWFJFHSA-N 370.420 4.979 0 1 FJAF Cc1nccn1-c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514517 ZHIHIPIWKVLKNM-DEOSSOPVSA-N 372.468 4.940 0 1 FJAF Cc1ccc2[nH]c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587586501 CNXPVPNSEXIUPL-NFBKMPQASA-N 371.392 4.885 0 1 FJAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)c(C)n1 587629726 ZGNXYTUSMVDASH-UHFFFAOYSA-N 355.747 4.654 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724949 MPGICZSYYWDUSF-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCOC2CCCC2)N1 587810810 MAGZBLUPGGZDQK-GTNSWQLSSA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccs2)N1 587849578 AZMFQOOKPFBDFK-QFYYESIMSA-N 354.288 4.642 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356387345 PSEOFDBPRHEIQU-XCQPHTMNSA-N 372.549 4.991 0 1 FJAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2ccc(C(=O)O)cc2C[C@H]1O 2356499836 KSXMPLFGEDQAEG-IRLDBZIGSA-N 358.478 4.912 0 1 FJAF CCCCCCC1=NO[C@H](c2ccccc2OC)[C@@H]1C(=O)NCCCC 4214413 AWXVIEHRCPJZSD-WOJBJXKFSA-N 360.498 4.625 0 1 FJAF O=C(NCCc1c[nH]c2ccc(O)cc12)Nc1cccc(-c2ccccc2)c1 14979742 QOCJWZDOWRRCEB-UHFFFAOYSA-N 371.440 4.905 0 1 FJAF c1ccc2c(c1)CN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 33983089 AVXYZHOVWRYDSQ-UHFFFAOYSA-N 359.517 4.753 0 1 FJAF Cc1cc2nc(-c3ccc(C(=O)NCc4cccc(F)c4)cc3)[nH]c2cc1C 45323595 PJZKZODVAHFGRN-UHFFFAOYSA-N 373.431 4.916 0 1 FJAF CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@H]1c1ccc(Br)cc1 53243490 SKPDUMIEGIXXAE-IBGZPJMESA-N 371.278 4.764 0 1 FJAF O[C@]1(c2ccc(-c3ccc4ccccc4c3)cc2)CN2CCCC[C@H]2CO1 253947074 LKDZAVLPTGMMGZ-BJKOFHAPSA-N 359.469 4.537 0 1 FJAF CC[C@@]1(C)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 586886932 DTKOHVILGKMNRO-UHLUBPPHSA-N 358.077 4.992 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 586915972 JJKAUGVAHMMXNL-HXOBKFHXSA-N 371.440 4.636 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 586916068 JMMXJXSDDGVXAG-YWZLYKJASA-N 354.837 4.741 0 1 FJAF CCc1ccc2nc(CSc3nnc(-c4ccc(C)cc4)n3C)[nH]c2c1 586965000 CQCWQFFOIZIUSN-UHFFFAOYSA-N 363.490 4.522 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4ccnc(C)c4[nH]3)cc2)n1 587020602 CDZPFSOUWOYTQQ-UHFFFAOYSA-N 352.488 4.991 0 1 FJAF CC(C)(C)OC(=O)NC(=N)c1cccc(-c2nc3cccc(Cl)c3[nH]2)c1 587200309 CNUBQZMNXNOREF-UHFFFAOYSA-N 370.840 4.733 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587242931 ZNZYDZMFSXTOBK-UHFFFAOYSA-N 371.440 4.691 0 1 FJAF COC(=O)C[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587363715 SWTWNDVFBFNYTE-AWEZNQCLSA-N 373.408 4.859 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)c(Cl)c1)O2 587383072 VEUPGQHCNKLBEL-HNNXBMFYSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(N)c1)(c1ccc(C)c(C)c1)O2 587392371 YHBPLBMRUVRDFN-XMMPIXPASA-N 372.468 4.685 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(O)c(C)c3)c1)O2 587405999 ZWUZAZFCEVBJPZ-JOCHJYFZSA-N 359.425 4.965 0 1 FJAF COc1ccc2oc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 587415276 ZIVHZLGHCJYFOT-NRFANRHFSA-N 351.402 4.521 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587417970 FZWZYLFDTYKMNZ-XFQAVAEZSA-N 354.833 4.803 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423575 VYWRMIDCLDXCGN-XGHQBKJUSA-N 354.833 4.803 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCCCF)cc1)CC2=O 587466033 LJJTUFCDZMPWGV-FQEVSTJZSA-N 358.409 4.790 0 1 FJAF CN1CCC[C@@H]1[C@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517235 JNLZQDWXXMYRSQ-VIZSFHNOSA-N 353.506 4.554 0 1 FJAF Cc1c(F)cccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555575 GZBWWKPNRLXTFK-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF CC1(C)[C@H]2CCCC[C@H]2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602577 IRXOVCAZYATQAG-PMKZCDPUSA-N 364.441 4.939 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2ccccn2)N1 587772890 PLZVSPQGPURQRR-SGTLLEGYSA-N 363.274 4.581 0 1 FJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587785097 LJGHMNZDEVETEB-QWHCGFSZSA-N 360.335 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccoc23)N1 587831142 GVAPVJCHQWGWAX-QGHHPUGFSA-N 360.226 4.958 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(OC)c(C)cc4[nH]3)c2)c1 587933819 VYOTZMZXQDYBLR-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF COc1cccc([C@]2(c3cccc(F)c3)NCCc3cc(C)c(F)cc32)c1 962087285 BRZHALGHBLDSJG-QHCPKHFHSA-N 365.423 4.719 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)NCC2 962088827 GVHBCPOZWMQETQ-NRFANRHFSA-N 369.871 4.825 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@@]12NCCc1cc(C)c(F)cc12 962300254 PKDAWEZURJPBIA-ZJBJCVSYSA-N 361.501 4.501 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCc1c2[nH]c2cc(N)ccc12 963229674 OSXMTUJZLRITGS-VOIUYBSRSA-N 359.517 4.987 0 1 FJAF c1ccc(N2CCN(Cc3ccc(-c4nc5ccccc5o4)cc3)CC2)cc1 1857553660 AOITTZVEHDKLSM-UHFFFAOYSA-N 369.468 4.817 0 1 FJAF COc1ccc(-c2cn3cccc(-c4cc(OC)cc(OC)c4)c3n2)cc1 1911584510 ZVPNWVKGHSPDJP-UHFFFAOYSA-N 360.413 4.694 0 1 FJAF COc1ccc(-c2cccc(-c3cc(=O)oc4cc5c(cc34)OCO5)c2)cc1 13813983 XZSHXNMFWXOYGS-UHFFFAOYSA-N 372.376 4.864 0 3 FJAF aggregator CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 4053641 IJFINYZDJLNBGI-GMAHTHKFSA-N 370.452 4.534 0 1 FJAF Cc1cccc(-c2cccn([C@@H](CN3CCCC3)c3ccccc3)c2=O)c1 13436650 YIPXKVDHHLNWTL-QHCPKHFHSA-N 358.485 4.509 0 1 FJAF Nc1cc(Br)c(-c2nc3ccccc3o2)c(Br)c1 26994077 CTTQSIPPIZNTIR-UHFFFAOYSA-N 368.028 4.602 0 1 FJAF CC(C)c1ccccc1NC(=O)N[C@H]1COC(C)(C)O[C@H]1c1ccccc1 28377703 YRBYYAGNAGTAFJ-PMACEKPBSA-N 368.477 4.824 0 1 FJAF CCN(CC)CCC[C@@H](C)Nc1c([N+](=O)[O-])cnc2cc(Cl)ccc12 38620982 VUUJVASZOJJHEP-CYBMUJFWSA-N 364.877 4.719 0 1 FJAF Fc1cccc(CNC[C@H]2CCC[C@H](CNCc3cccc(F)c3)C2)c1 45357525 ZBBUJZRTQIYWTK-ROUUACIJSA-N 358.476 4.651 0 1 FJAF CC(C)(C)c1cc[n+](Cc2cccc(C[n+]3ccc(C(C)(C)C)cc3)c2)cc1 66111853 PRSMLHLMHZPCHZ-UHFFFAOYSA-N 374.572 4.953 0 1 FJAF O=C(NC(C(F)(F)F)C(F)(F)F)Oc1ccc(Cl)cc1Cl 68573401 ABUCZIDIOPJANU-UHFFFAOYSA-N 356.049 4.575 0 1 FJAF biogenic Cc1nnc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCCC3)c2)o1 73157904 ORSVKQJCCMYVFZ-UHFFFAOYSA-N 359.429 4.784 0 1 FJAF O=C(Nc1cccc(CCO)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 84619351 BKCXLZYKRXUEKU-UHFFFAOYSA-N 358.747 4.538 0 1 FJAF Cc1cccc2c([C@@H](O)C[C@@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 169333447 ICRCFOVMEGQGOD-AVRDEDQJSA-N 364.464 4.915 0 1 FJAF CC(C)(Cl)c1nc2cc(OC(F)(F)F)cc(Br)c2[nH]1 587007884 ICWJXWUVHBAZOG-UHFFFAOYSA-N 357.557 4.698 0 1 FJAF O=C(O)c1cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587049012 KHPRFKIRABFCTQ-SFYZADRCSA-N 365.191 4.978 0 1 FJAF CC(C)(C)c1cccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c12 587084987 LWTJSZQWCPXFQM-UHFFFAOYSA-N 369.900 4.688 0 1 FJAF COc1cc(OC)c2[nH]c([C@@H](C)c3ccccc3C(F)(F)F)nc2c1 587097465 IODCAZJFITWJDZ-JTQLQIEISA-N 350.340 4.751 0 1 FJAF COc1cc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587106495 HSWDLHLPOHHJGS-UHFFFAOYSA-N 367.404 4.751 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587169501 YAJBVJBNDBPGAA-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF CCCCCOc1cc2nc([C@@H](N)C(C)C)[nH]c2cc1Br 587258415 BBNWLENHQYPGJK-HNNXBMFYSA-N 354.292 4.550 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(OCc3ccccc3)c(C)c1)O2 587393754 LJBFBMQKZNBLGX-NRFANRHFSA-N 374.440 4.566 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587419647 HMDJBXKIWVXRHE-SUMWQHHRSA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c4ccccc4c1O)[C@@H](C2)C3=O 587420841 JKAZWQJDGRDUBE-LHSJRXKWSA-N 366.800 4.696 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)COCc1ccccc1)CC2=O 587481446 MJAIENXHWPZLNH-YCRPNKLZSA-N 354.446 4.531 0 1 FJAF C[C@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587496540 IABRJJIPMRAGBS-LJQANCHMSA-N 372.262 4.604 0 1 FJAF O=C1C[C@@H](c2cnn(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500449 BXKHHLBQANAZHA-NRFANRHFSA-N 362.404 4.597 0 1 FJAF CCc1cc(OC)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524239 KVHZZAMXBWFNES-IBGZPJMESA-N 352.430 4.549 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1cccc(Cl)c1 587550517 WXIBJJGECRNZBF-OALUTQOASA-N 366.800 4.619 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(F)cc2)N1 587731598 HJZQMTUZYRPHTK-ZBEGNZNMSA-N 366.249 4.935 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2Cc3ccccc3C2)N1 587823108 OHASXTYZSJBRKU-WLRWDXFRSA-N 360.270 4.579 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nccc(-c2cccs2)n1 587873289 XJSDFCNVUJGWCR-UHFFFAOYSA-N 366.421 4.596 0 1 FJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@H](C=C(c2ccccc2)c2ccccc2)N1 962898731 FLYCGJMBEQHPQY-PKTZIBPZSA-N 373.427 4.598 0 1 FJAF CN(C/C=C/c1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)CCO2 1772611814 FQYHSRQLHKLLFE-NSCUHMNNSA-N 365.370 4.925 0 1 FJAF COc1ccc(Cn2cnc3cnc(Nc4cccc(C)c4)cc32)cc1OC 205221396 WGCQORUSLFWJRM-UHFFFAOYSA-N 374.444 4.549 0 3 FJAF COc1ccc([C@@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc1 688045 ZILHOWSLDDADJX-SFHVURJKSA-N 363.244 4.700 0 1 FJAF CCOc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)cc1 775320 RFYWJXRLNPYBMB-UHFFFAOYSA-N 368.408 4.685 0 1 FJAF Fc1cccc(-c2ccc3c(c2)C[C@H](NCc2c[nH]c4cnccc24)C3)c1 45228672 YTMBKGYNJHYPDL-OAQYLSRUSA-N 357.432 4.626 0 1 FJAF CCCN(CCC)c1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12 72118759 STEOLTYMZVBFJA-UHFFFAOYSA-N 373.888 4.761 0 1 FJAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccc(F)cc2)s1 82164328 PGQTVBRGNVKORK-UHFFFAOYSA-N 354.454 4.791 0 1 FJAF O=C(CCCc1ccc(Cc2ccccc2)cc1)OC[C@H]1CCCCO1 84632163 APPKTFBJYNMGKU-JOCHJYFZSA-N 352.474 4.712 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3C(=O)NC4)cc2)c1 84758606 OYHPEJNWMYOFGL-UHFFFAOYSA-N 357.413 4.549 0 1 FJAF Nc1nc2cc(Br)ccc2c2[nH]c(-c3ccccc3Cl)nc12 95604161 FTKPLDSTFVEMTG-UHFFFAOYSA-N 373.641 4.776 0 1 FJAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C\c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921412 MQZCTSZOSLGBFX-VOSMOFHQSA-N 361.485 4.596 0 1 FJAF CCOC(=O)/C(=C/c1ccc(C(C)C)cc1)CSc1nc(C)cc(C)n1 169308067 DBTYEQQGBSVDOQ-XDHOZWIPSA-N 370.518 4.956 0 1 FJAF CCOc1ccc(Nc2cc(C)nc3ccc4nc[nH]c4c23)cc1OCC 169318713 KJTQKYSIFUTHCE-UHFFFAOYSA-N 362.433 4.961 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 169323722 MLZFGDUUCSXZHX-YWJVFQPJSA-N 371.565 4.857 0 1 FJAF c1cc2c(OCC3CCN(CC4CCCC4)CC3)nc3ccsc3n2c1 169329299 CIVNSYWQVDEGRU-UHFFFAOYSA-N 369.534 4.830 0 1 FJAF O=C(O)c1cccc(Cn2cnc3ccc(-c4ccc5cc[nH]c5c4)cc32)c1 169348540 WADDJDDPTKHZHW-UHFFFAOYSA-N 367.408 4.931 0 1 FJAF CN1CCc2c(c3cc(Cl)ccc3n2C(=O)c2cccc(Cl)c2)C1 169350482 QCWGYDDHGDUPDS-UHFFFAOYSA-N 359.256 4.625 0 1 FJAF COC(=O)N1C[C@H]2[C@@H]1[C@H]1[C@@H]3C[C@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]21 195500026 FZZYGBFGNWPQRI-ISFWXARXSA-N 357.453 4.560 0 1 FJAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1 204748881 PXBRMSLPAQOCCZ-CXAGYDPISA-N 350.397 4.779 0 1 FJAF Cc1c(C)c2ccc(OCCCCCNCc3ccccc3)cc2oc1=O 473132401 RRFSDOVSDCRXPJ-UHFFFAOYSA-N 365.473 4.749 0 1 FJAF O=C1c2ccccc2-c2cc(-c3coc(C4CC4)n3)nc3ccc(O)c1c23 586987563 CPNVAJFXKNJBAL-UHFFFAOYSA-N 354.365 4.684 0 1 FJAF Clc1ccc(-c2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)nn1 587088339 XUDOSQKCRYPUGF-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF Fc1cccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c1C(F)(F)F 587097616 LVVGKZNDNDDXSQ-UHFFFAOYSA-N 352.287 4.549 0 1 FJAF COc1cc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1OC 587112043 CVYKEHCEDDGDIE-NSHDSACASA-N 364.367 4.945 0 1 FJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC(C)C 587400757 OCWGVKUXMJZWAK-HXUWFJFHSA-N 369.461 4.717 0 1 FJAF COc1cccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587403391 LQDKCBFUTXXKHP-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(NC(C)(C)C)nc1Cl)O2 587413514 PACAQPQPZFFKGZ-LBPRGKRZSA-N 365.886 4.604 0 1 FJAF Cc1nc(O)c(Cl)cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505302 ZNZWYPRWSVCOQS-HXUWFJFHSA-N 357.837 4.508 0 1 FJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587803513 WWFJYSKBICKTCS-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ccc3c2)N1 587803998 QJZXLGVQFUQCDQ-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@H]2c2ccccc2)N1 587822118 IQZXMVJVJGDUDH-DBWSCCJJSA-N 360.270 4.967 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(O)cc2)N1 587835262 VWXAWDKTTIULOU-IOKPOUQPSA-N 362.242 4.583 0 1 FJAF C[C@]1(c2ccccc2-n2cccn2)NCCc2cccc(-c3ccccc3)c21 962666582 KRYWPBYKQYRAEP-RUZDIDTESA-N 365.480 4.949 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc(-c3cccc(OC)c3)n2)N1 962940931 BBPFEROYDTWPAR-IVZQSRNASA-N 373.456 4.845 0 1 FJAF O=C(Nc1cccnc1)c1ccccc1OCc1c(F)cccc1Cl 1857605804 VRYHZDUYBUXZBP-UHFFFAOYSA-N 356.784 4.705 0 1 FJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3C(C)C)O[C@H](C)[C@H](C)C2=O 2356670353 LNDUCGCDUQUPIH-GZBFAFLISA-N 372.461 4.549 0 1 FJAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 61902992 NGCCIZUNSDEWRY-KRWDZBQOSA-N 351.805 4.998 0 3 FJAF Oc1ccc(Cl)cc1Cc1nccn1-c1ccc(C(F)(F)F)cc1 13558800 FDHCDOWYRLCMRJ-UHFFFAOYSA-N 352.743 4.841 0 1 FJAF CC/C=C/[C@H](CC)C/C(C)=C/[C@@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC 33955049 AVSPCYKDNIUSRR-XJFPLECQSA-N 352.515 4.628 0 1 FJAF COc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2cccnc2)n1 34281898 YDJXUAZJYVSXPH-UHFFFAOYSA-N 360.339 4.618 0 1 FJAF COc1ccc2nc(-c3ccccc3OC)c(-c3ccccc3OC)nc2c1 71294585 NJPJTIHSDLYCOF-UHFFFAOYSA-N 372.424 4.990 0 1 FJAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccccc2C)n1 82177160 GNCKDLNBASTLGE-UHFFFAOYSA-N 368.506 4.641 0 1 FJAF O[C@H](CSc1ccc(F)cc1)Cn1c2c(c3ccccc31)CCCC2 84689768 DNIIZIIVTJGZGE-INIZCTEOSA-N 355.478 4.812 0 1 FJAF O=C(CCCCOc1cccc(OCc2ccccc2)c1)C(F)(F)F 115388706 ULSSKYGDQMOVCM-UHFFFAOYSA-N 352.352 4.946 0 1 FJAF Cc1c[nH]c2ncc(-c3cc(C4CCOCC4)n(C4CC(F)(F)C4)n3)cc12 146482214 YYZUATCYQWCGKL-UHFFFAOYSA-N 372.419 4.599 0 1 FJAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(/C)[C@@H](CC=C(C)C)OC(C)=O 238752390 BNKBJTGWXDOAKC-AVNBJTFYSA-N 372.461 4.570 0 1 FJAF COc1cc([C@H]2C[C@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)cc(c43)O2)ccc1O 473085096 VLLDKCORIPYEDM-ILKIAPMBSA-N 356.418 4.502 0 1 FJAF Cc1cc(Cl)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003354 KCWQUEWRLYLTPH-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587017355 UWHFPGBTRCXHHB-NSHDSACASA-N 357.332 4.696 0 1 FJAF Cc1cc2[nH]c(-c3cc(Cl)c(Br)cc3F)nc2c(C)n1 587137895 RFRRTDJBGRNPAC-UHFFFAOYSA-N 354.610 4.797 0 1 FJAF Nc1ccc(-c2ccc3nc([C@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1N 587162256 UUNWXRJVZREDOU-IRXDYDNUSA-N 358.420 4.805 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccc(F)cc3c1C)CC2=O 587472605 RXFHHWHCEVQXOV-LJQANCHMSA-N 353.393 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3cc(OC)ccc13)CC2=O 587475000 JONYCWUUSNSLNG-NRFANRHFSA-N 365.429 4.552 0 1 FJAF O=C1C[C@H](c2ccc(Cn3cccn3)cc2)Oc2c1ccc1c2CCCC1 587517292 KJTJYTGFXYDWFW-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF Cc1ccc([C@]2(c3ncc[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525060 LYGZJHBTVMJAHR-QHCPKHFHSA-N 358.441 4.506 0 1 FJAF CC(C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600551 OIOUGSUIQLMOLW-QPPBQGQZSA-N 374.436 4.991 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2)N1 587733853 MBHFZYTZVSLOBI-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF Cc1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587781940 ZKJSVUYZNYPITO-YVMONPNESA-N 357.251 4.864 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1ccccc1Cl 587870640 FXXRURVPHZOFPM-UHFFFAOYSA-N 358.800 4.624 0 1 FJAF O=C(c1cc2c(F)cccc2s1)n1nc2cc1Oc1ccc(F)cc1-2 587873169 DAQJZCIMDOUGEQ-UHFFFAOYSA-N 354.337 4.837 0 1 FJAF C[C@H](CCC(=O)O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587961169 PXBVOHHWWXKXGS-SSDOTTSWSA-N 368.277 4.644 0 1 FJAF C[C@@H]1CCCc2ccccc2[C@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962729373 IAMXEWDOFPBGNQ-YFZFPPMRSA-N 373.418 4.548 0 1 FJAF Nc1cccc2c1[C@@]1(c3ccccc3-2)c2c(F)cccc2C[C@@H]2CCCN21 963102660 FYJOLMGZDUHHSI-UPCLLVRISA-N 356.444 4.701 0 1 FJAF CC[C@H]1c2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc2N1C 1772624558 WWCGHYOUUXBXGW-KRWDZBQOSA-N 362.452 4.647 0 1 FJAF Cc1cc(C(=O)O)c2c(C3CCCC3)nn(-c3ccc(Cl)cc3)c2n1 1857568831 PEPJWOZUXMHYRM-UHFFFAOYSA-N 355.825 4.738 0 1 FJAF Cc1ccccc1-c1cnn(C(C)(C)C(=O)Nc2cccc3cccnc23)c1 74387573 JFLAHQUCXNNYPR-UHFFFAOYSA-N 370.456 4.781 0 3 FJAF COc1ccc(C2=C(c3ccccc3)O[C@@H](OC)c3cc(F)ccc32)cn1 95566531 HKTXRBRVBJQHRS-JOCHJYFZSA-N 363.388 4.821 0 3 FJAF CCCCNC(=O)OCCCN1CCC2(CCC(c3ccccc3)CC2)C1 96019333 UEMAJSTXWZZBAM-UHFFFAOYSA-N 372.553 4.953 0 3 FJAF Cn1c(-c2cccc(C(F)(F)F)c2)cc2c(Nc3ccncn3)nccc21 205209885 AZQPIFIZCCDEEY-UHFFFAOYSA-N 369.350 4.793 0 3 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OC 575248 WMJGRMDHAUYJLX-UHFFFAOYSA-N 350.418 4.978 0 1 FJAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@H]3[C@@H]2C(=O)N1c1ccccc1 6575391 YQDIZAHKTNEAGG-RFZJPIJTSA-N 370.452 4.729 0 1 FJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COC[C@@]1(O)CN2CCC1CC2 13757105 IEGUVCFKGDIKGJ-PMIBSQBBSA-N 361.570 4.879 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 15153136 GPTWTKZDAAYJRN-LHRSPNGQSA-N 370.445 4.991 0 1 FJAF endogenous,in-man CCN1CCN([C@@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19802380 XHQHCGIOFLGRDM-GOSISDBHSA-N 358.938 4.726 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(F)cc1 53298531 DHJGSIJZTMFTAU-OAHLLOKOSA-N 368.264 4.527 0 1 FJAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(Cl)s1 64437131 FAKYYWUMXNCJOE-SJLPKXTDSA-N 363.910 4.713 0 1 FJAF CC1=CC[C@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66167020 FAKXMTLUDHHXRM-AOMKIAJQSA-N 351.421 4.713 0 1 FJAF CO[C@H]1Cc2ccccc2C2(CCC(N(C)Cc3ccccc3)CC2)O1 71332447 AFKWCRVKGFPGQY-GTMAMOSYSA-N 351.490 4.502 0 1 FJAF Cc1cc(Oc2nccc3[nH]ccc23)ccc1-c1c(C)ncc2nccn12 144571353 JSXXQQZDLULYBH-UHFFFAOYSA-N 355.401 4.682 0 1 FJAF CCCCC1=CC(=C(Br)Br)N(CCCC)C1=O 149947426 WLCPANNBCMYQSG-UHFFFAOYSA-N 365.109 4.704 0 1 FJAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 299820272 CYFCTSATGJGIQC-RDTXWAMCSA-N 364.424 4.838 0 1 FJAF Cc1cc([C@@H]2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc(C)c1N 299827068 OPKGPPNZVCDGFM-QHCPKHFHSA-N 359.425 4.971 0 1 FJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 586882143 KRRHJCMMKHTHCL-UHFFFAOYSA-N 361.228 4.798 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(C)c2[nH]1 586916066 JMMXJXSDDGVXAG-MGPUTAFESA-N 354.837 4.741 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ccc(F)cc1 586987301 CUMGLPDIJIPZEM-INIZCTEOSA-N 367.379 4.979 0 1 FJAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586991477 NWWXXSIVUOOJKM-VTPJWHAVSA-N 371.436 4.503 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587076557 KJNUZULEJOEBBK-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF FC1(F)Oc2cc3nc(-c4ccc5cc(Cl)ncc5c4)[nH]c3cc2O1 587085337 TYKCSWRPADVEGM-UHFFFAOYSA-N 359.719 4.753 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)c4ccco4)nc13)-c1ccccc1C2=O 587101335 MGYYSHWRYZNNCY-UHFFFAOYSA-N 353.377 4.773 0 1 FJAF COC(=O)c1cccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c12 587145823 SKYWYGOLCUHBIL-UHFFFAOYSA-N 364.351 4.962 0 1 FJAF Nc1cc(-c2nc3cc(Br)cc(F)c3[nH]2)c2ccccc2c1 587251792 MWBCDDMATGXENV-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1c(Cl)cccc1Cl)O2 587372735 AHQITLDCJFGWRJ-LLVKDONJSA-N 350.245 4.851 0 1 FJAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2ccc(F)c(Cl)c12 587629081 ZQQQJAMQOZOKDK-UHFFFAOYSA-N 359.011 4.964 0 1 FJAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2ccncc2)cc1 587650768 DBCNNWHTKKQVRV-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF CCn1c(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587753360 VJMXZEZBSHMESG-MGNBDDOMSA-N 365.290 4.650 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2ccccn2)N1 587772001 MUMDHFYUCGXGPG-BLLLJJGKSA-N 363.274 4.581 0 1 FJAF CC(C)c1nc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587852843 NNGRYJLUXQBJBP-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS[C@@H](C(C)(C)C)C2)N1 587858561 RJCSIZVZULIRAZ-FNDUUJAJSA-N 372.347 4.869 0 1 FJAF CC/C(=C/c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(C)cc1 587965976 FDRJQKZWSKXGKV-SSZFMOIBSA-N 372.472 4.577 0 1 FJAF COc1cc(O)c2c(c1Cl)/C=C/CCCC(=O)CCC[C@H](C)OC2=O 653837945 YMACQCHGWFWYIQ-DJTWPOEFSA-N 366.841 4.536 0 1 FJAF C=C1Nc2c(-c3ccc(Cl)cc3)c(CC)nn2C(C)=C1CCC(=O)O 957611458 ZPXSUJDLKZDNNW-UHFFFAOYSA-N 357.841 4.801 0 1 FJAF CCc1sc([C@@H]2NCCc3ccc(F)c(C)c32)cc1Br 962088100 CKUAQJLDWXKYPM-INIZCTEOSA-N 354.288 4.756 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]2C[C@@]3(C)[C@H]4C[C@@]12C[C@]43C 2356580252 NLDXAZWXVUJQQN-ZSCSNODPSA-N 374.521 4.662 0 1 FJAF CCC=CC[C@@H](O)C=CC=CCC=CC=C[C@H](O)CCCCCC(=O)O 2356710082 JUBMLVBCKBUAQW-RTWAWAEBSA-N 362.510 4.715 0 1 FJAF CC[C@H]1CCCCN1C(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C 2925951 SDDORHNSQLHCLA-HNNXBMFYSA-N 374.554 4.559 0 3 FJAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cc(F)cc(F)c3)ccc2o1 13606769 JSFFTMNTWAMSKS-CQSZACIVSA-N 369.411 4.969 0 1 FJAF C[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1N1CCCC1)c1cccc2sccc12 13860894 UMIAZJFHSCKPMM-UXPWSPDFSA-N 370.562 4.870 0 1 FJAF O=C(O)[C@@H](CCC/C=C(\c1ccccc1)c1cccnc1)C1(O)CCCC1 26748784 RMGIQMMAMCZIQM-FVIRYLMMSA-N 365.473 4.690 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](CCC)C=C4)O[C@@H](C)CC3=O 29133749 DSFIRUMIZRKUPV-GXTWGEPZSA-N 368.429 4.674 0 1 FJAF O=C1CS[C@@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 38244413 YFQUPXHWHMWJMS-SFHVURJKSA-N 358.825 4.806 0 1 FJAF O=C(Nc1ccccc1)N1CC[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 51076633 XUULMBQPGYVDLR-GFCCVEGCSA-N 374.366 4.603 0 1 FJAF biogenic CCCCCn1c(CCC)nc2c(NCc3ccc(F)cc3)ncnc21 82185975 ZZWBQQJUJLPNCX-UHFFFAOYSA-N 355.461 4.720 0 1 FJAF Cc1cc(C)c(CSc2nnc(-c3ccc4[nH]cnc4c3)o2)c(C)c1 116894615 XNOPKQTWKSEJQC-UHFFFAOYSA-N 350.447 4.830 0 1 FJAF O=C1Nc2ccc(-c3csc(-c4ccccc4)n3)cc2/C1=C/c1cnc[nH]1 221765720 GNULAQPASAAKMG-MFOYZWKCSA-N 370.437 4.693 0 1 FJAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCC(=O)CC/C=C\2 299820778 HVQRFFWEQMSKPG-HYXAFXHYSA-N 354.402 4.510 0 1 FJAF O=C1O[C@@]2(CCc3ccccc32)CC(O)=C1Sc1ccccc1Cl 299822937 RBPDUTMGGGWCRQ-IBGZPJMESA-N 358.846 4.990 0 1 FJAF CCc1ncccc1Oc1cc(CC2CCCCC2)cnc1NC(=O)NC 299834275 LDRZWXMZIPLJON-UHFFFAOYSA-N 368.481 4.705 0 1 FJAF OCc1ccc(-c2nc3c(C(F)(F)F)c(Br)ccc3[nH]2)cc1 586895255 CGWWAZAUJXFAKR-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF O[C@@H]1C[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc21 586901262 GLZMTFJIIJZTIJ-BXUZGUMPSA-N 363.642 4.548 0 1 FJAF FC1(F)Oc2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc2O1 587049952 KLPFTWOEFWVMGO-UHFFFAOYSA-N 373.746 4.996 0 1 FJAF Cc1ccc2c3c(cc(-c4cn5c(n4)CCCC5)nc13)-c1ccccc1C2=O 587095989 ATKOTCIQIXCTLG-UHFFFAOYSA-N 365.436 4.954 0 1 FJAF COC(=O)CCCCc1cnc2c(C)ccc3c2c1-c1ccccc1C3=O 587097359 LUDOVIVDNFJWNL-UHFFFAOYSA-N 359.425 4.640 0 1 FJAF Oc1ncnc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587112999 QTGZDTVTNLLJKE-UHFFFAOYSA-N 372.306 4.537 0 1 FJAF CCOC(=O)CNc1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1 587225006 MGKPOQFLKBNSRF-UHFFFAOYSA-N 351.450 4.502 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c3ccccc3c1O)O2 587380853 XKNSPASEUDHSFM-GOSISDBHSA-N 353.805 4.796 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OCCC(C)C)cc1)O2 587398053 AGSAOVCVUVASEJ-QFIPXVFZSA-N 353.462 4.883 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccccn3)n1)CC2=O 587497509 WUZYDNXMXFEDFF-SFHVURJKSA-N 366.442 4.570 0 1 FJAF Cc1ccc([C@@]2(c3ncc[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525059 LYGZJHBTVMJAHR-HSZRJFAPSA-N 358.441 4.506 0 1 FJAF O=C1C[C@@]2(CSCCc3ccccc32)Oc2c1ccc1c2CCCC1 587540019 ZKQJXZIVVMDBMT-QFIPXVFZSA-N 350.483 4.715 0 1 FJAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587557584 NMINLRYURBWZIL-UGKGYDQZSA-N 364.372 4.717 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccccc1Cl 587656609 HHOKTJLUUONHNU-UHFFFAOYSA-N 350.780 4.845 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(F)cc2)N1 587729892 DWMCOYXOQZHMKX-ADLMAVQZSA-N 366.249 4.935 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccoc23)N1 587828846 AGYHXUXJXOWDHM-DYZYQPBXSA-N 360.226 4.958 0 1 FJAF COc1ccccc1CC(=O)c1nc2cc(Oc3ccccc3)ccc2[nH]1 587929882 NKGQKDMBHJRTIC-UHFFFAOYSA-N 358.397 4.789 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(C)c(Br)c1 963258563 OGOSWNKNFFEQES-QGZVFWFLSA-N 366.686 4.655 0 1 FJAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4cccnc4)cc3c21 1772648802 SCURZVUAIRXUIF-AWEZNQCLSA-N 369.403 4.790 0 1 FJAF Oc1ccc2c(Nc3ccc(OCc4ccc(F)cc4)cc3)ncnc2c1 1857557617 JNQHGIKBMZODAC-UHFFFAOYSA-N 361.376 4.797 0 1 FJAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@@]21C[C@H](c2ccoc2)CC1=O 2356584580 KELOXJWCNVNKDH-RKGQZRNOSA-N 356.462 4.802 0 1 FJAF O=C1CCC=CC[C@@H](c2ccc(-c3ccccc3)cc2)C(=O)OCCCO1 2382237986 OXUFLOSMIWZANA-NRFANRHFSA-N 364.441 4.654 0 1 FJAF Cc1ccccc1[C@@H](OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 28221105 BWNMYDFFSCWUHU-ADGBJGEGSA-N 367.533 4.725 0 1 FJAF O=C(NC1CCN(CCCc2ccccc2)CC1)c1cccc2ccccc12 28707236 GAFMZEPGDXPRMR-UHFFFAOYSA-N 372.512 4.667 0 1 FJAF Cc1ccc[n+](CCCCc2ccc(CCCC[n+]3cccc(C)c3)cc2)c1 28861787 RWISNIWOSWDBEQ-UHFFFAOYSA-N 374.572 4.924 0 1 FJAF CCN(CC)CCNc1nc(Nc2ccc(Cl)cc2)nc2ccccc12 29205601 LIRUMJIZIIVMRD-UHFFFAOYSA-N 369.900 4.781 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2)n1 82132834 DGTPJJXAJUWESK-INIZCTEOSA-N 366.509 4.664 0 1 FJAF CN(C)c1ccccc1CNc1ccc(/C=C/c2cc(O)cc(O)c2)cc1 96926963 RRNPPAPCRPPEFR-BQYQJAHWSA-N 360.457 4.946 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 100812365 CCQPFCCZWSBRTL-DBLWUMPGSA-N 361.441 4.755 0 1 FJAF CSc1cccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)c1 103199989 IVRFZKIYEBJQSW-UHFFFAOYSA-N 373.482 4.881 0 1 FJAF Cc1ccc(Nn2c(SCC(=O)c3cccc(F)c3)nc(C)c2C)cc1 103243288 DPQNLGSIZQXPQE-UHFFFAOYSA-N 369.465 4.798 0 1 FJAF CN(C)CCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 148735186 NNPZGRUMFLDSMT-FFLQBNTKSA-N 359.517 4.845 0 1 FJAF CC(C)(Oc1ccc2c(c1)CCc1c-2ccc2c1CCC2(C)C)C(=O)O 164128952 ARSAHKATBFWABK-UHFFFAOYSA-N 350.458 4.918 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714047 IPGUXKPRPBBMKG-KGVYPZOGSA-N 357.538 4.874 0 1 FJAF Cc1c(Cc2ccc(Cl)c(Cl)c2)c(=O)oc2cc(O)c(F)cc12 205934070 QGEVMSOQKSYEIQ-UHFFFAOYSA-N 353.176 4.844 0 1 FJAF O=C(O)c1cc(Br)cc2[nH]c(CC3CCCCCC3)nc12 314148744 FMPAQQAELWBOBE-UHFFFAOYSA-N 351.244 4.537 0 1 FJAF Oc1cccc(CCCCc2nc3ccc(F)c(Br)c3[nH]2)c1 586896021 GABCKIBLSAZBOL-UHFFFAOYSA-N 363.230 4.736 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cnc3ccccc3c2[nH]1 587075689 LHLULGHWVPMBQH-UHFFFAOYSA-N 359.820 4.926 0 1 FJAF Cn1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)nc2ccccc21 587105186 RPXGWZJCCJQOMO-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF O=C(O)c1ccc(-c2cc(-c3nc4cccc(O)c4[nH]3)ccc2F)cc1F 587138138 ATEPZHPQYFAYDY-UHFFFAOYSA-N 366.323 4.579 0 1 FJAF Fc1cc(Br)ccc1-c1nc2c(Cl)c(Cl)cnc2[nH]1 587142554 FBNJGSYIPOOCNB-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF COP(=O)(Cc1nc2cccc3c2c(c1Cc1ccccc1)CC3)OC 587217423 WBGRUCDLAYTIGU-UHFFFAOYSA-N 367.385 4.910 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350365 DOUSCSIGXBVLOK-QFDMSYBCSA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1ccccc1F)O2 587386213 UNLAERFXRMNSHB-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)cc1OCC)CC2=O 587482332 SMJKJICWMBEQKJ-QFIPXVFZSA-N 370.445 4.633 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(Br)ncc3[nH]2)cc1 587565173 ZRNCWGXXWMBDTC-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587575067 IACFAIPWIOFYBG-UGKGYDQZSA-N 357.365 4.820 0 1 FJAF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603469 OUCKLGCIVBYMRR-OFNKIYASSA-N 360.409 4.664 0 1 FJAF Cc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587723598 XQEDOYBIKYEUGR-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cn1nc(C(F)F)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1Cl 962667013 UPQDXKXTQCOJFR-KRWDZBQOSA-N 373.834 4.913 0 1 FJAF C[C@H](C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21)NC(=O)OC(C)(C)C 963126970 YJAZBQUHPRGILK-ZMZPIMSZSA-N 373.324 4.658 0 1 FJAF Nc1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 1772601262 NTBDLUFPLMQLLA-UHFFFAOYSA-N 352.821 4.754 0 1 FJAF O[C@@]1(c2ccccc2)CCC[C@]12C=Cc1c(cnn1-c1ccc(F)cc1)C2 1857611871 RUTMZHDXFAFHMG-DHIUTWEWSA-N 360.432 4.639 0 1 FJAF COC(=O)[C@@H](C)c1ccc(-c2ccc(NCc3ccccn3)cc2)c(F)c1 1911585130 KWJRMBDHBSILGQ-HNNXBMFYSA-N 364.420 4.776 0 1 FJAF CC1=CC[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]2(C)C(=O)CC(C)(C)[C@@H]12 2356469668 WTQJTXGHXWJQCP-VZPUWSDOSA-N 366.457 4.760 0 1 FJAF O=C(NCc1ccco1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61928890 LVVFEAWUEZFUNC-UHFFFAOYSA-N 353.324 4.901 0 3 FJAF Cc1ccc(CN2[C@H]3CCC[C@@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1 4888002 QJBJGFACSBPWFU-NOTZXAQLSA-N 362.517 4.619 0 1 FJAF c1ccc(C(c2ccccc2)[C@H]2CC[C@@H](NCc3cccs3)CN2)cc1 22930172 DQUSTKPIYBFGRN-IFMALSPDSA-N 362.542 4.790 0 1 FJAF CC(C)Cc1ccc(N2CC[C@H](Oc3cccc4ccc(N)nc34)C2)cc1 28390073 UHSGLDYWKWJJLG-FQEVSTJZSA-N 361.489 4.673 0 1 FJAF Clc1ccc(C2=NCCCN=C2c2ccc(Br)cc2)cc1 40423394 URVWXJPAQWNJRE-UHFFFAOYSA-N 361.670 4.785 0 1 FJAF CN(C)CC[C@@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 53246949 QBJYSKLVDCDUGF-IBGZPJMESA-N 364.272 4.554 0 1 FJAF CC(C)(C)c1cc[n+](Cc2ccccc2C[n+]2ccc(C(C)(C)C)cc2)cc1 66111852 GTRJMKIJDDDXQG-UHFFFAOYSA-N 374.572 4.953 0 1 FJAF COCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2cccc(C)c2)n1 82167433 YCIWQMYSPWSKOA-UHFFFAOYSA-N 368.506 4.641 0 1 FJAF CC(=O)c1c(Nc2ccc(F)cc2F)[nH]c2c(C)ccc(Cl)c2c1=O 84603750 TXDXOMSIXUVQGS-UHFFFAOYSA-N 362.763 4.714 0 1 FJAF OC[C@@H](Nc1ncnc2oc(-c3ccccc3)c(Cl)c12)c1ccccc1 95604952 AGULTCXGHPKMCC-OAHLLOKOSA-N 365.820 4.689 0 1 FJAF O=C(Nc1nc2cc(F)ccc2s1)c1ccc(COc2ccccc2)o1 95755494 WUYHLFZEKMHAGP-UHFFFAOYSA-N 368.389 4.860 0 1 FJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(C)cncc2[nH]1 586980590 BINVNKLEBMXEKE-UHFFFAOYSA-N 367.250 4.795 0 1 FJAF COc1ccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2n1 587011540 IIPSSKXNDHUZTR-UHFFFAOYSA-N 356.838 4.719 0 1 FJAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C=C1C 587108164 WAGQAYDSFMZZEK-QGZVFWFLSA-N 369.420 4.585 0 1 FJAF CC(C)COc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br 587198724 LLWFSDTWGXJJQX-INIZCTEOSA-N 368.319 4.619 0 1 FJAF CC[C@@]1(Cc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356739 RDKGNDKATURBLX-IRLDBZIGSA-N 366.388 4.875 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3ccc(F)cc3)n1)O2 587384600 NHCVMBWNGRQDMT-KRWDZBQOSA-N 354.406 4.546 0 1 FJAF CC[C@H](C)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442756 LJHCWNCCYOLGJG-UZWKXWHHSA-N 352.430 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ncc(C(F)(F)F)s1)CC2=O 587464756 XIZZZCOPBFSZDA-GFCCVEGCSA-N 357.353 4.527 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN([C@@H]3CCCC[C@@H]3C)CC1)CC2=O 587475384 NSQLAJFOKBKDLQ-QFBILLFUSA-N 371.521 4.723 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC3CC3)c1)CC2=O 587480736 PBACKJGPEKVXHP-OAQYLSRUSA-N 352.430 4.840 0 1 FJAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603036 KOTLOPBNOYFZCR-IJIZOXLDSA-N 358.393 4.757 0 1 FJAF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc(F)ccc12 587633174 ZMAUHWCBUGDZMY-SECBINFHSA-N 362.198 4.925 0 1 FJAF Fc1ccc(Cc2[nH]c3cccc(F)c3c2CCCC2OCCO2)cc1 587634553 JVDZUTUBGUTWGJ-UHFFFAOYSA-N 357.400 4.733 0 1 FJAF Cc1c(Cl)ccc2c(-n3ncc4ccc(Cl)cc4c3=O)ccnc12 587651386 ILDKXTBFHAZOMQ-UHFFFAOYSA-N 356.212 4.549 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C(C2CCC2)(C2CCC2)N1 587822088 ZVJBCTSQFIFYPY-LLVKDONJSA-N 352.291 4.918 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)[C@@H]1C 587824530 XGVGSSDMEIMYIP-MFOGRAASSA-N 352.291 4.940 0 1 FJAF COc1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)ccc1OC(F)F 963098685 GWTOPAHOEKKVDL-IFXJQAMLSA-N 363.379 4.546 0 1 FJAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3ncccc3F)cc2)c1 1857639023 BIJLVSPXLZKGAO-UHFFFAOYSA-N 356.784 4.802 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@@H](C)[C@@]2(C)CCc2ccoc2)[C@H](C)C1=O 2356481482 RAWJLQOZIWQUKM-YYXLVKOYSA-N 360.494 4.812 0 1 FJAF COc1cc([C@@H](O)c2nc(-c3cc4ccccc4o3)cs2)ccc1F 61906899 YOMUPROZBYBPMT-GOSISDBHSA-N 355.390 4.786 0 3 FJAF CN(C)CCCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454297 XAJUVMJPSQZNDC-UHFFFAOYSA-N 365.473 4.961 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N1CCCC1 28238205 NRVOCEKOSKQIOD-DLBZAZTESA-N 355.309 4.753 0 1 FJAF CNC(=O)NC(=O)[C@H](CC1CCCCC1)c1ccc(Cl)c(Cl)c1 49783735 XMMJKZLLOBXNMB-CYBMUJFWSA-N 357.281 4.503 0 1 FJAF CSc1ccc([C@@H](O)c2nnc(Nc3ccc(Cl)cc3)s2)cc1 82078384 OURDMRRKQIFLFQ-CQSZACIVSA-N 363.895 4.739 0 1 FJAF CSc1ccc([C@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82078465 SOUUOOOHBHVOEH-INIZCTEOSA-N 357.504 4.702 0 1 FJAF O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCC[C@@H]2c3ccccc3C[C@@H]21 96169442 NWMUBQREWQXIEK-PBHICJAKSA-N 362.256 4.644 0 1 FJAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)s1 103580527 WMKAPLYZENAJMF-GOSISDBHSA-N 359.491 4.928 0 1 FJAF C[C@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccccc3)nc21 222082599 OWQQKUSKUSVYLA-CQSZACIVSA-N 369.403 4.790 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cnc(Br)cc4[nH]3)cc2)o1 586903421 PYVUZVISSCMRJI-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF Clc1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2nc1Cl 587021852 PXHWPIMBVLTKOY-UHFFFAOYSA-N 361.257 4.979 0 1 FJAF Fc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1C(F)(F)F 587083927 CTKJDOGMGWAGBK-UHFFFAOYSA-N 355.722 4.849 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cccnc3NCc3ccccc3)[nH]c2n1 587230656 WFCWZAKCSMYJHJ-UHFFFAOYSA-N 357.461 4.930 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(F)cccc1C(F)(F)F)O2 587381991 MBJNARADCIXLSG-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4OC)cc1)[C@@H](C2)C3=O 587442275 KQOVTYPWQSJRBO-YADARESESA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)cc1)CC2=O 587457113 FGMCRAZRFRXOAL-QGZVFWFLSA-N 361.235 4.814 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1sccc1Br)CC2=O 587493580 SKSASNVBGSRLDY-AWEZNQCLSA-N 367.264 4.875 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1csc3c(C)nccc13)CC2=O 587495171 NRXBXEJBFVOBHG-SFHVURJKSA-N 353.443 4.969 0 1 FJAF O=C(O)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587504841 IHSHHQUGJZKNLL-QGZVFWFLSA-N 356.805 4.624 0 1 FJAF C[C@]1(c2cc3ccccn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589113 UALXTQYBIPTCDN-NZQKXSOJSA-N 371.392 4.522 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2c(c1)CCC2 587600661 BQWLEDDRVGIVDN-REWPJTCUSA-N 358.393 4.584 0 1 FJAF CC1(C)[C@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]1C2 587604246 RROAJGKSXODTCD-UDBGPPTHSA-N 350.414 4.549 0 1 FJAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587626631 GORPSRODAYPSTG-LBPRGKRZSA-N 366.889 4.904 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2)N1 587705851 ZRZWTHDIJIOTLW-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(O)cc2)N1 587826374 AKKGTGICSJUHOO-SVYRJTOJSA-N 362.242 4.583 0 1 FJAF Cc1coc(C)c1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826640 FXVCUPSJGOVYDS-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955764 NPTHZWQVSNBVAL-GHTZIAJQSA-N 356.429 4.661 0 1 FJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@H]1c1ccc(Cl)cc1 653781854 ZSPCMSLHXICFQH-NRFANRHFSA-N 363.848 4.828 0 1 FJAF Cc1cccc(-n2cc([C@H]3NCCc4c(Cl)cc(Cl)cc43)cn2)c1 963118476 FYKMTHFBIBTLFK-LJQANCHMSA-N 358.272 4.723 0 1 FJAF CN(C)C[C@@H]1CCCC[C@@H]1[C@@]1(O)c2ccccc2CSc2sccc21 13111041 YKADOOIFTVIBPM-HZUJVAHNSA-N 373.587 4.958 0 3 FJAF CCCCN(CCCC)Cc1cc(=O)oc2cc(OC)c(Cl)cc12 95567550 XWJGQYWMUSCLGO-UHFFFAOYSA-N 351.874 4.857 0 3 FJAF O=c1c2ccccc2nc(CCc2c[nH]c3ccccc23)n1-c1ccccc1 598304 GLXYQAPWRKPVQF-UHFFFAOYSA-N 365.436 4.652 0 1 FJAF CC(C)OC(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 13490946 QUDNAUWPTMNNHI-UHFFFAOYSA-N 355.485 4.678 0 1 FJAF CSc1cccc2c1CCC[C@@H]2CN(C)CCc1ccc2c(c1)OCO2 13761403 YAXOAGCEKYYMDZ-QGZVFWFLSA-N 369.530 4.732 0 1 FJAF CCCC[C@]12C[C@@]1(C(=O)OCC=C(C)C)C(=O)Nc1ccc(Cl)cc12 34821528 JUINEQCYLQNDPS-UXHICEINSA-N 361.869 4.620 0 1 FJAF CC(C)c1nccn1Cc1coc(-c2ccc(OC(F)(F)F)cc2)n1 72184163 KZNSGNBLJWAQEL-UHFFFAOYSA-N 351.328 4.608 0 1 FJAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)s1 82164530 GXMWWNSDMAAFKL-UHFFFAOYSA-N 368.481 4.959 0 1 FJAF CCc1cnc(-c2cnc(NCc3ccc(C)o3)nc2-c2ccco2)s1 82165342 DERUMKSPJPOUCQ-UHFFFAOYSA-N 366.446 4.936 0 1 FJAF CCCCCOc1cc2nnnc(Nc3ccc(Cl)cc3)c2cc1OC 103295903 IRAYLJWMNLZUEJ-UHFFFAOYSA-N 372.856 4.999 0 1 FJAF NC1(c2ccc(-c3nc4ccc(O)cn4c3-c3ccccc3)cc2)CCC1 113657838 XBQDOZCBHDDKPA-UHFFFAOYSA-N 355.441 4.712 0 1 FJAF CC1(C)CCn2nc(COc3ccccc3)cc2[C@@H]1NCc1ccccc1 299836047 FZJBURAIOLVZOO-QFIPXVFZSA-N 361.489 4.723 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(Oc3ccccc3)nc3ccccc23)cc1 299868181 RDCJPWBOFLJGBB-HSZRJFAPSA-N 372.424 4.687 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1NCC3 586990446 XSXYBOJPXAYVGQ-UHFFFAOYSA-N 364.404 4.787 0 1 FJAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c[nH]1 587061266 TVUVACIIYXCZGQ-UHFFFAOYSA-N 374.206 4.545 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nc(Cl)ccc2[nH]1 587077206 UEVNMTHRUITLPR-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)cncc3[nH]2)cc1 587159361 ZYIAIIXVGCOTOL-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF O=C1c2ccc(O)cc2O[C@](C2CCC2)(C2CC2)[C@@H]1c1ccc(F)cc1 587349588 CKMUHSSQOBDDPS-IFMALSPDSA-N 352.405 4.839 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)c(F)c1F)CC2=O 587466304 NBDAYDGNLKAYNO-OAHLLOKOSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)C[C@H](C)N3CC)CC2=O 587474005 BLWVCKPSHOTKDG-RCDICMHDSA-N 365.473 4.822 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CS[C@@H](c3cccs3)C1)CC2=O 587494338 LKNYVXAWPIVZGU-IEBWSBKVSA-N 360.500 4.988 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)C[C@@H](C)CC3)CC2=O 587495681 PTUOMTXRDGPZRD-APPDUMDISA-N 357.475 4.633 0 1 FJAF COCC[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504917 OPZJICLRSXQTAF-JOCHJYFZSA-N 354.421 4.602 0 1 FJAF O=C1C[C@H](c2cnc([C@@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587534458 BZHIHEWFYMMJBJ-DLBZAZTESA-N 355.459 4.580 0 1 FJAF C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547518 LYZYKKGMBZEPMG-WIYYLYMNSA-N 366.800 4.923 0 1 FJAF COc1cc(C)ccc1OCc1nc2ccc(Br)c(C)c2[nH]1 587564164 LNIUIFOOPGYANP-UHFFFAOYSA-N 361.239 4.530 0 1 FJAF C[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587573046 VCMOKSXRXZUUSN-RXVVDRJESA-N 368.335 4.547 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587927699 SSOSAOVLQGEZQX-LBPRGKRZSA-N 365.355 4.536 0 1 FJAF COc1cccc(CCC2CCN(CCc3ccccc3OC)CC2)c1 653816950 BGGMCGOUOFSQTM-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF CCC(C)(C)[C@]1(c2cccc(C)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963036358 XJUSWYBTKOISMY-BXKMTCNYSA-N 362.517 4.728 0 1 FJAF CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(OCCF)c1-3 1857584230 TWGQDCWDFGPEAA-LJQANCHMSA-N 355.453 4.576 0 1 FJAF CC1=CC=C(C(C)C)[C@H](OC(=O)c2ccc(O)cc2)C[C@](C)(O)CCC1 2356414509 XZSGYNJDLWPNCS-IFMALSPDSA-N 358.478 4.771 0 1 FJAF CCCOC(=O)c1ccc(N[C]2C=C(C)Nc3ccc(OC)cc32)cc1 2356814430 PCUIQSWUNFRCIZ-UHFFFAOYSA-N 351.426 4.583 0 1 FJAF COc1cc(Cl)ccc1O[C@]1(C)CCN(Cc2c(F)cccc2F)C1 61898672 KDNIVYSLERPAGP-LJQANCHMSA-N 367.823 4.670 0 3 FJAF CN(C)c1ccc(-c2nc3ccccc3c(=O)n2CC2CCCCC2)cc1 13438249 SULCAFYSBWZKFE-UHFFFAOYSA-N 361.489 4.710 0 1 FJAF CCCCCCn1nc(C(=O)NN2CCCCC2)c(C)c1-c1ccccc1 13472860 NQVYSPCHZPQQRP-UHFFFAOYSA-N 368.525 4.570 0 1 FJAF O=C1CC2(CCN(CCc3cccc4ccccc34)CC2)Oc2ccccc21 26745318 CIBARXUQAXSAER-UHFFFAOYSA-N 371.480 4.882 0 1 FJAF CN(c1nc2ccccc2o1)C1CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC1 28957161 NKKZKHQGWSUAGC-HKUYNNGSSA-N 365.521 4.721 0 1 FJAF Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C 29043060 NTNLPJLHGXIPQN-UHFFFAOYSA-N 356.351 4.660 0 1 FJAF CCOC(=O)c1ccc(NCCCc2cccc(Br)c2)cc1 29205741 TUBIOEDRCXRBJV-UHFFFAOYSA-N 362.267 4.671 0 1 FJAF COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC 40893217 JLJAVUZBHSLLJL-RZMCSOMXSA-N 372.461 4.806 0 1 FJAF Cc1occ(O)c(=S)c1C(=O)NCc1ccc(-c2ccccc2)cc1 40976300 NSHZQFVEIUWJLE-UHFFFAOYSA-N 351.427 4.620 0 1 FJAF Nc1cc(-c2cccc(Cl)c2)nn1-c1ccnc2cc(Cl)ccc12 45202271 ZTBGSNUAUVPOLX-UHFFFAOYSA-N 355.228 4.977 0 1 FJAF Cc1ccc(CN2CC[C@@H](c3nc4ccc(C(F)(F)F)cc4[nH]3)C2)cc1 51076751 QFOFLCNRHOWJKC-OAHLLOKOSA-N 359.395 4.880 0 1 FJAF biogenic c1ccc([C@H]2CCCc3sc(Nc4ccc(-n5cncn5)cc4)nc32)cc1 73388732 QVXKOSZHSRZAMP-GOSISDBHSA-N 373.485 4.936 0 1 FJAF O=C(Nc1cccc2ccccc12)N1c2ccnn2C[C@@H]1c1ccccc1 82157033 XKTHEPODZBBFQR-HXUWFJFHSA-N 354.413 4.830 0 1 FJAF CNC/C(=C\CCC(=O)O)CCCCCCCC[C@@H]1C=C(CCN)CC1 85489225 WTODIMZVFAOXGW-POJBONIESA-N 364.574 4.803 0 1 FJAF biogenic,in-vitro CCCCCc1nc2c(s1)-c1ccc([C@H]3CC[C@](N)(CO)C3)cc1CC2 117186043 GUTRYCNHSVCLJR-HTAPYJJXSA-N 370.562 4.599 0 1 FJAF CCOc1cc2c(cc1O)[C@@H](N=O)CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716430 XTKQMZHRXYZSNP-PWQVMTFSSA-N 359.466 4.663 0 1 FJAF COc1cc2c(cc1O)[C@@H]1Cc3sc(CCC(C)C)cc3CN1CC2 210432220 HSNYXCLIIFCSNB-SFHVURJKSA-N 357.519 4.706 0 1 FJAF CO[C@@H]1c2ccccc2[C@@H]2[C@H](C(=O)O)c3c(n(C)c4ccccc34)[C@@H]2[C@H]1C 254071274 SAAHQXFSJMSMGY-KFJXNKGKSA-N 361.441 4.565 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299820989 RPIWNKCKNAVMOS-GWWXMWKHSA-N 359.554 4.739 0 1 FJAF CC(C)(C)c1cc(NC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O 473116238 VWLDZXITCJEFAM-UHFFFAOYSA-N 353.249 4.831 0 1 FJAF Oc1c(-c2nc3ccc(F)c(Br)c3[nH]2)ccc2c1CCCC2 586899158 XICCSAKBSYOYTF-UHFFFAOYSA-N 361.214 4.716 0 1 FJAF Fc1c(Br)cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1F 587090686 VNIGORUPUDYCLX-MRVPVSSYSA-N 367.474 4.527 0 1 FJAF CC[C@@H](C)OC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587098532 ZGRRMYBNVHGMCR-CQSZACIVSA-N 359.425 4.639 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cccc(Br)c3[nH]2)c1 587241401 AKBHCZVHSBJUFH-UHFFFAOYSA-N 372.266 4.977 0 1 FJAF Cc1ccc(CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1N 587250642 OMQHKDUVBTZQRX-UHFFFAOYSA-N 353.775 4.911 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1OC(F)(F)F)O2 587382905 POPUTQYCSHNCIU-AWEZNQCLSA-N 371.742 4.836 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccc(F)c1)O2 587385944 WGYLTHJEAHYKRK-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc4c(c3)OCO4)cc1)O2 587408749 OBJMAWZXGLLOIQ-OAQYLSRUSA-N 373.408 4.679 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1F)(C1CCCC1)[C@@H](C2)C3=O 587425779 HFWRJOXEXSDLLN-JTSKRJEESA-N 352.405 4.667 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](COCc1ccccc1)(C(C)C)CC2=O 587477695 FYKUBDQIHMJSOA-QHCPKHFHSA-N 368.473 4.922 0 1 FJAF Cc1nccn1-c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511579 HYMUCADZZGZLPK-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF Cc1cccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513967 WCHLNIWYNJNOJU-OAQYLSRUSA-N 358.441 4.766 0 1 FJAF CC(=O)Oc1c(C)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521152 CZTUVVPROOATQT-NRFANRHFSA-N 364.441 4.814 0 1 FJAF Cc1[nH]c2c(C)cc(Cl)cc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587626148 DFFYHPRINPCQFT-UHFFFAOYSA-N 356.897 4.993 0 1 FJAF CSc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587843080 GQTJVOQVSRFKSS-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1cc(F)cc(F)n1 587864621 NJAPZEIZEYQNBN-UHFFFAOYSA-N 369.293 4.630 0 1 FJAF CC(C)(C)c1[nH]c2c(F)cccc2c1[C@@H]1NCCc2c(C(=O)O)cccc21 963135161 XFYLEGXOTFPSBP-LJQANCHMSA-N 366.436 4.538 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@H](C)N[C@@H]2C 1857589547 GKUMKOVDJSGZMM-VHSXEESVSA-N 357.504 4.578 0 1 FJAF COc1cc(F)c(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)cc1Cl 1857635122 CEQAJYFDDUETNM-UHFFFAOYSA-N 373.737 4.833 0 1 FJAF CC=Cc1cc2c(cc1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 2356402960 VYLKLOAVECRURJ-ASSNKEHSSA-N 370.445 4.991 0 1 FJAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CCCC(C)(C)O 2356613452 MEFXRGFYZHLJTK-UHFFFAOYSA-N 356.418 4.806 0 1 FJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049539 HXZLJCATZNHKNB-UNMCSNQZSA-N 364.489 4.818 0 1 FJAF Cn1c2c(c3ccccc31)CN(CCCOc1ccc(Cl)cc1)CC2 13526501 LGTBVYLCBKIMPZ-UHFFFAOYSA-N 354.881 4.659 0 1 FJAF COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)n1 26381525 RVSRWCXALFSUOD-UHFFFAOYSA-N 361.232 4.785 0 1 FJAF COc1ccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 38267257 MMYFREDJJQHACN-MRXNPFEDSA-N 360.841 4.773 0 1 FJAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCCC3)c2)no1 73196953 YKONSSUUSWUEQB-UHFFFAOYSA-N 359.429 4.784 0 1 FJAF O=C(c1ccc(-c2ccccc2)cc1)N1CCc2c([nH]c3ccc(O)cc23)C1 95597178 IJNSBNQHKKYWOY-UHFFFAOYSA-N 368.436 4.739 0 1 FJAF COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@H]1C[C@@H]2OC3=O 100779279 BMUVJFGCCPHXOJ-DMPWYTOCSA-N 358.478 4.893 0 1 FJAF endogenous,in-man Cc1ccccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccccc1)CC2 143028377 FSSYPAVKEUNPJV-UHFFFAOYSA-N 367.456 4.695 0 1 FJAF C[C@H]1CC[C@@H](C)C[C@@H](C)C(=O)N(C)/C=C/CC(=O)O[C@H](C(C)(C)C)C1 238762647 MUPORQMYFNQMDE-XCMWNTQQSA-N 351.531 4.789 0 1 FJAF CSc1cccc(N=c2[nH]c(-c3ccc4nc(O)oc4c3)cs2)c1 473089626 SIQIQTBQWBAGCH-UHFFFAOYSA-N 355.444 4.544 0 1 FJAF Cc1nn2c(-c3nc4cc(C)c(C)cc4[nH]3)c(-c3ccccc3)nc2s1 473113019 HIGYSVNGYXIFFY-UHFFFAOYSA-N 359.458 4.926 0 1 FJAF N=c1[nH]cc2nc(-c3cc(-c4cccc5ccccc45)ccc3Cl)nc-2[nH]1 587051700 TXHRPJYNPGZSMF-UHFFFAOYSA-N 371.831 4.858 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(C)cc4nc1Cl)[C@@H](C2)C3=O 587422906 WALWUOLJYIYDIO-XOBRGWDASA-N 365.816 4.694 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C(C)=O)cc4)o1)[C@@H](C2)C3=O 587456888 YDSZAVNQMOZIHA-GAJHUEQPSA-N 374.392 4.647 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc3c1OCCC3)CC2=O 587470766 IOXXABOQXWVOSR-IBGZPJMESA-N 356.393 4.515 0 1 FJAF Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587573375 WDYRXMMZHFUDEE-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603600 OBXGTTKOQNPNOH-RDPSFJRHSA-N 372.420 4.931 0 1 FJAF Cc1cc(F)ccc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725978 HCGRWQSCAHPRMH-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2)N1 587737110 WNZXDFOFMUOSOA-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(C)(C)C)N1 587753427 IRVUNAUTNNREJX-GTNSWQLSSA-N 365.290 4.768 0 1 FJAF CC[C@@]1(Cc2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587826624 FSJAWJVBSKDYPG-DIFFPNOSSA-N 352.247 4.563 0 1 FJAF COc1cc(C2(c3nc4ccc(OC(F)(F)F)cc4[nH]3)CC2)ccc1C 587925741 CXCAFUCKOLEKMU-UHFFFAOYSA-N 362.351 4.858 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1cnc(C3CCCC3)s1)N(C)[C@@H](C)C2 962639230 VNQRZAITEUHEHY-ORAYPTAESA-N 372.534 4.784 0 1 FJAF CCOC(=O)CCCCC[C@]1(C2CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963102232 KMOVURYYBMRJQE-REWPJTCUSA-N 373.512 4.965 0 1 FJAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963103404 LBLRKFKTEOHWLS-BTDSVWAKSA-N 364.508 4.584 0 1 FJAF COc1ccc(-c2cc(OC(C)=O)c3c(-c4cccnc4)c(N)oc3c2)cc1 1772652553 WOEVLLXUFOIAKL-UHFFFAOYSA-N 374.396 4.678 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 5440639 RDPJISLOFXUIDK-JGGWIOMSSA-N 357.538 4.515 0 1 FJAF C[C@@H]1C=C2N(C)C(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388136 SSFLLJHYNMDQDP-UMIOCTSKSA-N 357.538 4.770 0 1 FJAF O[C@@](c1ccccc1)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954216 ZWZWFKKOXQAOPD-AWEZNQCLSA-N 361.150 4.668 0 1 FJAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@@H]3CC[C@]12C 31829858 DTHAAQPVIGTNAJ-JTLGGRLASA-N 371.477 4.674 0 1 FJAF COc1ccccc1[C@H]1CC(Nc2ccc3ccccc3c2)=NN1C(C)=O 34095395 XNTRGQZAZCJMCC-HXUWFJFHSA-N 359.429 4.567 0 1 FJAF CCc1cccc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc12 58569080 ULTHLRANTPUCEP-UHFFFAOYSA-N 367.832 4.934 0 1 FJAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)[nH]c(=O)c12 73220320 QINZFQFIEPBPIC-UHFFFAOYSA-N 359.857 4.564 0 1 FJAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)sc1C 82219723 ZHBLWKVBCAJPRT-BETUJISGSA-N 368.506 4.959 0 1 FJAF Oc1nsc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1 84614992 KVMKDFFHDINSSZ-UHFFFAOYSA-N 364.514 4.690 0 1 FJAF COc1ccccc1CN(C(C)=O)c1cnc([18F])cc1Oc1ccccc1 101957663 AWEYHVLPBGXFIH-KVTPGWOSSA-N 365.395 4.575 0 1 FJAF CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C[C@@H]1c1ccccc1 169322819 BWRLTXMPYHAFDY-GOSISDBHSA-N 353.849 4.905 0 1 FJAF Oc1csc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2)n1 169726279 QIUTZYBWGKVERK-INIZCTEOSA-N 373.840 4.997 0 1 FJAF CCC(=O)N[C@H]1c2cncc(-c3ccc(C(F)(F)F)cc3)c2CC[C@H]1C 205713343 XWASZJSYLNOOBU-CWTRNNRKSA-N 362.395 4.917 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)nn2CC(F)(F)F)cc1 299829963 WAWFFWAJABODIS-AAEUAGOBSA-N 352.360 4.521 0 1 FJAF Oc1nncc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587113209 UBYODOAIMAPNEP-UHFFFAOYSA-N 372.306 4.537 0 1 FJAF Cc1cc(C)c2[nH]c(/C=C/c3cccc(I)c3)nc2c1 587183646 FVQABJHWDLJKCG-VOTSOKGWSA-N 374.225 4.955 0 1 FJAF CC[C@@]1(Cc2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587375705 FMXRXAQJDFUJNA-LJQANCHMSA-N 374.278 4.696 0 1 FJAF Cc1cc(C)c(-n2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c(C)c1 587389410 IBEUSQXOKBNIKB-NRFANRHFSA-N 360.457 5.000 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1C1CCCCC1)CC2=O 587482878 JXYXULZYXGFUGE-LJQANCHMSA-N 354.450 4.822 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(C)ccc(C)c31)CC2=O 587493167 SMANPGJGXPNJIQ-QFIPXVFZSA-N 352.430 4.605 0 1 FJAF Cc1c(-c2ccc(Cl)c(Cl)c2O)[nH]c2ccc(S(C)(=O)=O)cc12 587650137 YGNUBUJNMDXJIZ-UHFFFAOYSA-N 370.257 4.559 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(F)F)CC2)N1 587714064 FZSZPNWWFBCAKW-PWGATLRDSA-N 362.233 4.773 0 1 FJAF CCCc1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853067 KOHMLTFRHOESRK-XXFAHNHDSA-N 369.303 4.621 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)cn1 587861057 LGOUAYDPEYSJKB-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@H]1c1ccccc1 587872372 WOFLWYMRPJLLIQ-ROUUACIJSA-N 350.393 4.532 0 1 FJAF O=C(CCc1ccccc1)c1nc2c(OCc3ccccc3)cccc2[nH]1 587953752 SJXVOETYRZMOGN-UHFFFAOYSA-N 356.425 4.957 0 1 FJAF CSc1nn2cc(-c3nc4c(C)cc(Cl)cc4s3)nc2s1 653664374 QEOOQCHKSXPSAJ-UHFFFAOYSA-N 352.897 4.751 0 1 FJAF CC[P@](=O)(OC)c1ccc2nc(-c3cnc4ccccc4c3)oc2c1 1911582605 JTNOFMOZIWTIGU-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CCOc1ccccc1O[C@H](c1ccccc1)[C@@H](OC)c1nccn1CC 2356858644 TWBZUKUMQOTBNE-NHCUHLMSSA-N 366.461 4.810 0 1 FJAF CCCN1C(=O)c2n[nH]c(C(C)C)c2[C@@H]1c1cccc(C(F)(F)F)c1 199729323 COSJZTAOENKWNP-INIZCTEOSA-N 351.372 4.507 0 3 FJAF Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3C2CCCC2)c1 1370107 MMVOFDXFPOWXGQ-SFTDATJTSA-N 371.594 4.918 0 1 FJAF Cc1nc(C)c(-c2ccnc(Nc3ccc(N(C)C)c(Cl)c3)n2)s1 3816086 FUDBRAFSKPGJJE-UHFFFAOYSA-N 359.886 4.680 0 1 FJAF in-vitro CCc1cccc2c(/C=C(\Cc3ccccc3)C(=O)O)cc(OC)c(O)c12 27524767 RDPJQPTZJILTEI-QGOAFFKASA-N 362.425 4.827 0 1 FJAF CNC1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34806127 DYNODBXGYMORGO-UHFFFAOYSA-N 352.507 4.912 0 1 FJAF COc1ccccc1-c1cc2c(Nc3ccc4c(c3)OCCO4)nccc2[nH]1 82078352 ZDZCYEAEEXIDNX-UHFFFAOYSA-N 373.412 4.753 0 1 FJAF CCCCc1cc2c(cc1N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C2 95581863 XQLNBJBCZOFUNR-NRFANRHFSA-N 359.558 4.826 0 1 FJAF CC(C)NC(=N)c1c(O)nsc1Nc1ccc(C2CCCCC2)cc1 101101208 SCGNXUQEDXMPGS-UHFFFAOYSA-N 358.511 4.963 0 1 FJAF O=C1NC[C@H](c2cccc(-c3ccccc3)c2)N1c1ccc2[nH]cnc2c1 116194093 BPMIYWJABFZDBX-OAQYLSRUSA-N 354.413 4.501 0 1 FJAF CC[C@@H](N)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 150196743 AKQZETDWLRAYLX-OAHLLOKOSA-N 364.470 4.828 0 1 FJAF COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1 169702024 IJZQJJBRRXXMNC-JOCHJYFZSA-N 356.425 4.687 0 1 FJAF CN(C)c1c(Sc2ccccc2)cc(CCc2ccccc2)nc1O 299830257 XSUDAATXQQEPHJ-UHFFFAOYSA-N 350.487 4.790 0 1 FJAF CC(C)Nc1nc(O)c2scc(-c3ccc(Br)cc3)c2n1 299855089 AZFCNFVFQMGYHL-UHFFFAOYSA-N 364.268 4.647 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ncc(Cl)s3)nc3ccc(O)c1c23 586994559 WIDVRRJCGQOJJG-UHFFFAOYSA-N 364.813 4.929 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)c(C)s2)cc1 587013243 PYDWEDSDBSVHOU-UHFFFAOYSA-N 363.442 4.741 0 1 FJAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ncc[nH]c-2n1 587070852 IEBSFAIWMGUSSP-QGBLLJAOSA-N 359.260 4.977 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc2c1 587112957 MXMDUOGLAHEQOY-UHFFFAOYSA-N 354.715 4.689 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2cccc(C(F)(F)F)c2)C1)CC4 587210079 DEZCEMVCOWTOMR-KRWDZBQOSA-N 367.370 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccccc3)nc1C)O2 587412969 KSAXEOABIQDGDG-OAQYLSRUSA-N 364.470 4.890 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444581 DYGGQWQRWOEQKG-GBXCKJPGSA-N 356.421 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)(F)F)cc1)CC2=O 587463983 FMALASFDSXOOSP-KRWDZBQOSA-N 366.335 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1C(C)C)CC2=O 587477897 VODUBNGCBLWIGF-FQEVSTJZSA-N 364.445 4.982 0 1 FJAF CC(C)COc1cccc(OCc2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587566047 RGYKCIWCDFNQMA-UHFFFAOYSA-N 366.248 4.879 0 1 FJAF C[C@]1(C[C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603691 QWKFSXZCCFABKB-RBFDJJSBSA-N 364.441 4.939 0 1 FJAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1ccc(Cl)c(Cl)c1 587632671 GWKUPBOGRGFMIB-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF NC(=O)c1cc(-c2[nH]c3cccc(F)c3c2-c2ccc(Cl)cc2)c[nH]1 587633357 BCYAOXGZEBQCLQ-UHFFFAOYSA-N 353.784 4.721 0 1 FJAF COc1cccc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805259 FCLGQICMKYFSAD-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587820420 PFFSRPRHHRGPBB-PAKRVPSDSA-N 350.275 4.550 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827944 MDFMPCLZHMTPDD-YPERWKGASA-N 352.291 4.774 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CS[C@H](C(C)(C)C)C2)N1 587858564 RJCSIZVZULIRAZ-PHEKWQANSA-N 372.347 4.869 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cnc2[nH]1 587952482 RVWRDGJUGGZIAM-OSMZGAPFSA-N 352.276 4.767 0 1 FJAF COc1cccc2c1OCC([C@@H]1NCCc3c(Cl)cc(Cl)cc31)=C2 963115894 AZPFCBBRCSOUFK-SFHVURJKSA-N 362.256 4.665 0 1 FJAF CC1=CC=C(C(C)C)[C@H](OC(=O)c2ccc(O)cc2)C[C@@](C)(O)CCC1 2356414524 XZSGYNJDLWPNCS-IRLDBZIGSA-N 358.478 4.771 0 1 FJAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@H](C)CCOC=O 2356786277 ZQMIRTGWVGONOM-FAGZOMQFSA-N 364.526 4.918 0 1 FJAF O=C(O)c1ccc2c(c1)c1c(n2C(=O)c2ccc(Cl)cc2)CCCC1 28120922 GHFOXHAZUGKUCN-UHFFFAOYSA-N 353.805 4.560 0 1 FJAF CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 49072772 ZQGFBKWNEQRAPD-KRWDZBQOSA-N 360.461 4.625 0 1 FJAF Cc1cccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1 71341514 MTCKKSBPIWYEMR-UHFFFAOYSA-N 358.526 4.859 0 1 FJAF CCc1cnc(-c2cnc(NCCCOC)nc2-c2cccc(C)c2)s1 82167432 DHPPWRAHDHFLTB-UHFFFAOYSA-N 368.506 4.586 0 1 FJAF CCCCCSC1=N[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N1 101613296 CXDSTOGDGKZFFF-QGZVFWFLSA-N 364.486 4.587 0 1 FJAF CCO/C(O)=C1\C(C)=NC(S)=N[C@H]1c1cc(C(C)C)c(OC)cc1C 103890828 CMWZPOHXEMTNDE-HVESIFNPSA-N 362.495 4.735 0 1 FJAF Cc1cc2c(cc1-c1ccc(NCc3c(F)cccc3F)nc1)OCCO2 149798726 RHXJHBCGYPESSM-UHFFFAOYSA-N 368.383 4.719 0 1 FJAF COc1ccc([C@@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NO2)cc1OC 299862736 NTYISZVTKPXPEZ-INIZCTEOSA-N 361.825 4.545 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586884720 AJTZVMHXMKIHPU-BZNIZROVSA-N 350.340 4.607 0 1 FJAF Cc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586990885 ILAWDORDEWXQNG-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)cnc4[nH]3)cs2)o1 587016370 KSEDANQCIUDODZ-UHFFFAOYSA-N 350.325 4.669 0 1 FJAF Cc1sc2c(c1C)C(=O)N/C(=C\S[C@H](C)c1nc3ccccc3[nH]1)N2 587030427 DVPUKNVZHPBXMV-GYBQTFJISA-N 370.503 4.690 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(C)(C)C 587203607 FTQBJTNQPHNQGX-AWEZNQCLSA-N 369.868 4.837 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC23CCCC3)[C@H]1c1ccc(F)cc1 587347409 APFRURYQJDUYRJ-SIKLNZKXSA-N 352.405 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ncc(Cl)cc1Cl)CC2=O 587461630 LHSRKJWDJHGDFP-SFHVURJKSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(N(C)CC)cc1)CC2=O 587467636 FXCTZASQIBRHSM-JOCHJYFZSA-N 353.462 4.681 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1nccs1)CC2=O 587492482 AAKJAVLYVXDJTF-NRFANRHFSA-N 365.454 4.710 0 1 FJAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1F 587506483 NXFGATZROGQFNS-SFHVURJKSA-N 358.384 4.949 0 1 FJAF Cc1c(C)c(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1O 587533590 RLOWKJKTEUUIAX-SFHVURJKSA-N 352.430 4.608 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cc(Cl)cc(Cl)c1 587649260 OGVPWYSWPHDQPY-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2)N1 587729884 DUWHIIQTOVWYTR-ZMZPIMSZSA-N 366.249 4.719 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCc3ccccc3CC2)N1 587819012 UEFSXLJTOKHRJF-CYBMUJFWSA-N 374.297 4.897 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)cnc2[nH]1 587927697 SSOSAOVLQGEZQX-GFCCVEGCSA-N 365.355 4.536 0 1 FJAF COc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1 653798072 KMWIALVZRWBPRB-SOFGYWHQSA-N 363.236 4.740 0 1 FJAF CCc1nn2ccc(Cl)cc2c1C(=O)NC/C=C(\C)CCC=C(C)C 1772630363 UXAUKIYMBDQFOS-OQLLNIDSSA-N 359.901 4.973 0 1 FJAF CCO[C@]1(C)[C@H](O)CC[C@H]2[C@]1(C)CC[C@@H](C)[C@@]2(C)CCC(C)=CCO 2356416369 RBLSOOWMEDZHMU-PYXMZCFHSA-N 352.559 4.714 0 1 FJAF COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1 839395 DVTLAQZTCJXBPC-UHFFFAOYSA-N 366.812 4.502 0 1 FJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N(C)C 4295664 NSXKRWVXSCOCNN-IRXDYDNUSA-N 354.853 4.581 0 1 FJAF Cc1c(CN2CCOCC2)c2ccccc2n1-c1cccc2ccccc12 26380247 NDVNGJPAVZIJIP-UHFFFAOYSA-N 356.469 4.924 0 1 FJAF O=C(Nc1ccccc1-c1nc(C2CCC2)cs1)OCC1CCNCC1 34648618 CCUGBZXQXCNGBB-UHFFFAOYSA-N 371.506 4.626 0 1 FJAF CCCC/C=C(C)/C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 38422784 RWAYWKZUQOPYIW-KHQKICGGSA-N 355.478 4.611 0 1 FJAF O=C(NCc1ccccc1)c1cn(CCOc2ccccc2)c2ccccc12 66136231 FLWGMBJYPHHSGQ-UHFFFAOYSA-N 370.452 4.650 0 1 FJAF O=C1CCc2cc(-c3cncc(-c4ccc(F)c(F)c4)c3)cc3c2N1CC3 71318467 VTYZELOXDNYQIL-UHFFFAOYSA-N 362.379 4.529 0 1 FJAF Oc1cccc(-c2cnc3ccc(-c4cccc(OC(F)(F)F)c4)nn23)c1 82082533 IXLKUUJICFSVLY-UHFFFAOYSA-N 371.318 4.668 0 1 FJAF CCc1c(C)[nH]c2cc(OCCOc3ccccc3)c(Cl)cc2c1=O 82158162 RNPNTCNOJIQRDW-UHFFFAOYSA-N 357.837 4.510 0 1 FJAF Cc1cccc(-c2nc(N3C[C@H](C)C[C@@H](C)C3)ncc2-c2ncc(C)o2)c1 82173381 LZFOQMYXTKOSTE-HZPDHXFCSA-N 362.477 4.898 0 1 FJAF Oc1ccccc1SC[C@@H](O)COc1ccc(Cc2ccccc2)cc1 84729896 KZJOMIBFANQCLX-IBGZPJMESA-N 366.482 4.515 0 1 FJAF CCCCN1CCC(COc2noc3cccc(OCC4CCC4)c23)CC1 95571696 VTKVNLMBZSSKOU-UHFFFAOYSA-N 372.509 4.898 0 1 FJAF c1ccc(-c2cccc(Nc3ncnc4cc5c(cc34)OCCO5)c2)cc1 96283121 FSFYBWMHVKFOOV-UHFFFAOYSA-N 355.397 4.812 0 1 FJAF Cc1ccc([C@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2ccccn2)o1 101573598 HMBKTQQANBQUJM-HXUWFJFHSA-N 360.417 4.691 0 1 FJAF CCSc1nnc(/C=C/c2cc(OC)ccc2OC)n1-c1ccccc1 103195862 SZXCFFGAOWPYMP-JLHYYAGUSA-N 367.474 4.567 0 1 FJAF O=C1OC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 116194165 GPAWLADRRFWXQH-OAQYLSRUSA-N 355.397 4.928 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169323717 MLZFGDUUCSXZHX-ZCHHODMYSA-N 371.565 4.857 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C)cc(Br)c3[nH]2)cc1 586885904 DJSXKHDSCXPHHF-YVEFUNNKSA-N 359.267 4.779 0 1 FJAF Cc1c(-c2ccc(O)cc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990903 ILUAMKCAKADCOR-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF COc1ccc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992080 MZGJXJOOSJKGSZ-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cc(C(F)(F)F)ccc4C(=O)O)[nH]c32)n1 587109644 QKXGZPFAQPKVBC-UHFFFAOYSA-N 371.318 4.804 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587171028 XFIRTBIYBADQFW-LBPRGKRZSA-N 370.428 4.923 0 1 FJAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587252340 YHYIBUBEDMHCAK-UHFFFAOYSA-N 367.758 4.633 0 1 FJAF CC[C@@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587374987 AWZFBXCTODPZHC-SFHVURJKSA-N 360.251 4.610 0 1 FJAF CC[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379487 YLNZSBHPEPJBOM-FXAWDEMLSA-N 369.417 4.652 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O 587445278 JETXJRYCTVFJPO-RDPSFJRHSA-N 370.404 4.663 0 1 FJAF COc1cc2c3c(c1)O[C@@H](C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587445282 JGQFUIOFOKRQNG-YADARESESA-N 356.421 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccs3)n(C)n1)CC2=O 587494229 KCFLUKCJLJEXIK-SFHVURJKSA-N 368.458 4.513 0 1 FJAF Nc1cccc(Br)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501871 ZDXGXMJDLWNYAV-QGZVFWFLSA-N 372.262 4.617 0 1 FJAF O=C1C[C@H](c2cccc(Cn3ccnc3)c2)Oc2c1ccc1c2CCCC1 587515191 KFKPCIDTCITWIJ-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF O=C(O)CCC[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587533276 VOGLSSISJDBRLJ-OAQYLSRUSA-N 370.470 4.743 0 1 FJAF COc1ccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)cc1 653857507 MDWADHPSBOTRTJ-QTJGBDASSA-N 370.452 4.836 0 1 FJAF CCCCOc1ccccc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962620359 HFWPTAJRFRKJJD-ZHRRBRCNSA-N 369.505 4.849 0 1 FJAF Cc1ccc(OC(=O)Nc2ccc(NCc3ccc(F)cc3)cc2N)cc1 1772578379 KFWFSYSOLXVJFT-UHFFFAOYSA-N 365.408 4.939 0 1 FJAF CCc1ccc(-c2ccc3c(c2)c(C(=O)C(=O)N2CCCCC2)cn3C)cc1 1772590484 LQDOZTOCGPENQO-UHFFFAOYSA-N 374.484 4.603 0 1 FJAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O 1857618880 ICUIXFPXTPCLMF-QGZVFWFLSA-N 358.228 4.775 0 1 FJAF CCCCOc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 1857750956 GZXBOBMYFUMPTE-UHFFFAOYSA-N 368.502 4.564 0 1 FJAF O=C(c1c[nH]c2ccccc12)[C@@H](NCCc1ccccc1)c1ccccc1 1911582455 ACAMGSSSBUKFLV-QHCPKHFHSA-N 354.453 4.924 0 1 FJAF CCCN(CCC)c1nccc(=NCc2ccc(-c3ccccc3)s2)[nH]1 2382255879 LLWSIZCLXOXZFI-UHFFFAOYSA-N 366.534 4.866 0 1 FJAF COc1cc([C@H](O)c2nc(-c3cc4ccccc4o3)cs2)ccc1F 61906898 YOMUPROZBYBPMT-SFHVURJKSA-N 355.390 4.786 0 3 FJAF C[C@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1 14652136 ZKASYRHNYFCICF-UWJYYQICSA-N 360.409 4.830 0 1 FJAF biogenic CC(C)[C@H]1c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 27630848 XYUDWRYZHCKJAV-FQEVSTJZSA-N 360.461 4.676 0 1 FJAF CC(C)[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28107795 RYSIGTFHFNVXDG-IXEWLPCDSA-N 367.942 4.625 0 1 FJAF CC(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccc(Br)o3)c1C2 28125201 JVGSJLSEXDJERU-UHFFFAOYSA-N 370.250 4.776 0 1 FJAF CO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)CO1 34600210 AGZLUBWOHWIZBV-WMPOZFHUSA-N 350.499 4.639 0 1 FJAF O=C1C[C@H]2C=CCc3cccc(c32)CN1Cc1ccc(Br)cc1 36383055 KNAVJMIMEFNJTJ-MRXNPFEDSA-N 368.274 4.578 0 1 FJAF COc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143148438 YKZSYYCQJRZFMI-UHFFFAOYSA-N 367.412 4.925 0 1 FJAF O=C(OC1CCCCC1)c1c[nH]c2cc(Oc3ccccc3)ccc2c1=O 169323701 GWNRMPOFRKCGFP-UHFFFAOYSA-N 363.413 4.810 0 1 FJAF Cn1cc(-c2cn3c(Cc4ccc5ncccc5c4)cnc3cc2Cl)cn1 205312951 DQNSOPUYVRPHPM-UHFFFAOYSA-N 373.847 4.527 0 1 FJAF Cc1ccc([C@]2(O)CCCc3c(-c4ccc(C#N)cc4)cncc32)cc1C 205706913 XYHHKKDRQRGTED-XMMPIXPASA-N 354.453 4.809 0 1 FJAF CC(=O)OC[C@@H](C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 238783288 ARKOXDSPJUWTIG-ZTHZXAOBSA-N 358.478 4.729 0 1 FJAF Oc1c(-c2nc3cc(Br)cc(F)c3[nH]2)ccc2c1CCCC2 586899096 WSEVWUANGAYBGU-UHFFFAOYSA-N 361.214 4.716 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 586918411 YJKIGGRLOAADJY-KUHUBIRLSA-N 374.362 4.798 0 1 FJAF COC(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587107043 MGOLNULTSCAISD-UHFFFAOYSA-N 365.388 4.900 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)c1 587242913 YTWWZRPOYGRGRI-UHFFFAOYSA-N 357.413 4.904 0 1 FJAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587358325 WOCTUXFMVNDEIL-CTNGQTDRSA-N 352.361 4.707 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc3c(c1)CCCC3)O2 587397970 ZKTRODDWPSMYIV-NRFANRHFSA-N 373.456 4.553 0 1 FJAF O=C1C[C@H](c2c(Cl)nc3ccccn23)Oc2c1ccc1c2CCCC1 587500378 OIYKBJXRVRZINT-MRXNPFEDSA-N 352.821 4.573 0 1 FJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2ccccc12 587588859 MGLGDZSAMBSNFU-WMZHIEFXSA-N 371.392 4.885 0 1 FJAF C[C@@H]1C[C@@H]1c1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587616128 IEVCBUAYFFNMAO-BPLWOANLSA-N 362.381 4.812 0 1 FJAF CCc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587717085 FKYJKJBMVMCDSK-YPMLDQLKSA-N 366.249 4.913 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2F)N1 587724941 AJMAFMGEGRNAEV-BMLIUANNSA-N 352.222 4.545 0 1 FJAF CCC1(CC)[C@H](OC)C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587813675 WLNOQGDMFXUCNB-FVMIAERFSA-N 370.306 4.543 0 1 FJAF Cc1ccccc1C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813744 PNLVZUWSPKMHET-DJJJIMSYSA-N 362.286 4.889 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587818537 ILOPIXBKEZRLNQ-JWYKHVQJSA-N 350.275 4.550 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc(F)c(C(=O)O)cc3[nH]2)cc1 587929873 ARMRPKAYPNOCKH-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF COc1cccc(C2(c3nc4cc(Br)ncc4[nH]3)CCCC2)c1 587930756 KEPBLMSVEOJZLH-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF O=C(C1CC1)[C@]1(c2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962667368 NYHKDEUBMIEGMB-VWLOTQADSA-N 371.455 4.861 0 1 FJAF CCCCCCOc1ccc([C@H]2NCCc3c(C)ccnc32)cc1OC 963071289 QKRHDXKWIBVCBU-OAQYLSRUSA-N 354.494 4.593 0 1 FJAF O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ccc3F)ccc2O1 1772609019 HUQBAOFOIFWDQQ-QGZVFWFLSA-N 370.420 4.982 0 1 FJAF CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)[C@H](O)CC=C(C)C)c1O 2356650601 LAAGNRGTRFQJND-HXUWFJFHSA-N 358.478 4.805 0 1 FJAF NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)sc3ccccc23)cc1 36388699 JMZAYTHBMORPMT-UHFFFAOYSA-N 365.479 4.883 0 3 FJAF CC(=O)c1ccc(Nc2nc([C@H](N)CCc3ccccc3)cs2)cc1 61903920 QWMMQXPCNPDWPY-GOSISDBHSA-N 351.475 4.722 0 3 FJAF COCCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]2(C)O)C1 61946857 HQSUOMDNEIPOEM-YZPUGCROSA-N 362.554 4.732 0 3 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)c(F)c1 2011797 OZFRQHOJAFPGIV-UHFFFAOYSA-N 354.381 4.815 0 1 FJAF c1ccc(Nc2nc(NCc3ccco3)nc(Nc3ccccc3)n2)cc1 5338455 VBMNXBHAOBMCMX-UHFFFAOYSA-N 358.405 4.564 0 1 FJAF CC(=O)NCc1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1 26662825 SRNRQPAGEQTOLS-UHFFFAOYSA-N 359.495 4.634 0 1 FJAF COC(=O)C/C=C\[C@H](C)[C@H](OCc1ccccc1Br)C(C)C 73002068 ZNXUGWNPKPHYLU-LQNMCYNQSA-N 369.299 4.746 0 1 FJAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@H]21 100620789 YSSSIHOXSMSHPD-LAUBAEHRSA-N 366.411 4.558 0 1 FJAF Cc1ccccc1N1C(=O)CS[C@@H]1c1cc2ccccc2nc1S 103194799 MMFZNXDLILSICK-LJQANCHMSA-N 352.484 4.611 0 1 FJAF c1ccc2nc(COc3ccc4ncn(-c5nccs5)c4c3)ccc2c1 103247853 PPBRAQRMMLILEZ-UHFFFAOYSA-N 358.426 4.609 0 1 FJAF CC(C)c1cc(Sc2ccccc2C(=O)O)nc(-c2ccccn2)n1 103418389 MDNHAKRWUWECMH-UHFFFAOYSA-N 351.431 4.511 0 1 FJAF NC(=O)c1cccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c12 587062188 DTTGMNDKTDWLNX-UHFFFAOYSA-N 361.832 4.573 0 1 FJAF CSc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587077701 YIBQKRAJFARBFQ-UHFFFAOYSA-N 370.865 4.773 0 1 FJAF COc1cncc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587126217 WDYYRXXZUQLLPU-QPJJXVBHSA-N 351.353 4.749 0 1 FJAF N[C@H](N=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587146084 YJFREVOZDCWEQE-LJQANCHMSA-N 364.355 4.899 0 1 FJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c(F)cc(Cl)cc2[nH]1 587147839 SPOFHMPAMWXGIN-UHFFFAOYSA-N 362.742 4.701 0 1 FJAF COc1cc(-c2nc3cc(Cl)cc(C)c3[nH]2)nn1-c1ccccc1F 587155217 BMWLCGNXIQRCPK-UHFFFAOYSA-N 356.788 4.525 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164816 BUFKTWZYYXEDSD-UHFFFAOYSA-N 352.390 4.884 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccc(C(=O)O)cc1)O2 587406081 FJZIVNZGXOEQFP-NRFANRHFSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)cc1C)[C@@H](C2)C3=O 587430935 LEVAOPSRTWNPQI-SBUREZEXSA-N 359.425 4.591 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C(C)(C)C)(C(F)(F)F)N1 587706468 QDQWTBXTLLBARM-RMLUDKJBSA-N 368.212 4.926 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2)N1 587734817 WDAQWPJBGJJLRK-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccsc2Cl)N1 587847806 YLIDLFQGVGSPPQ-WPPNPWJKSA-N 360.679 4.927 0 1 FJAF Fc1cccc2c1[C@@](COC(F)(F)F)(c1ccccc1)N1CCC[C@@H]1C2 963104054 GTTZCWAJBNWJDQ-VQIMIIECSA-N 365.370 4.626 0 1 FJAF Cc1ccnc([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963110533 VTORGSXOPWHKJB-ZJSXRUAMSA-N 358.460 4.842 0 1 FJAF CC1=CC[C@@H]2[C@H](CCC(=O)C2(C)C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2356386640 QNYVPIIHDIDFPU-GUDVDZBRSA-N 366.457 4.760 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=C[C@@H]2OCC(C)=C2CCC(C)=CCC[C@@]1(C)O 2356412887 GDTVZODNXRBOIB-BHDDXSALSA-N 362.510 4.631 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672628 UOQUGIWUWKCTLJ-JFYQVNSESA-N 350.506 4.815 0 1 FJAF COc1cccc2c1CCC[C@H]2CCCN1CCN(c2ccccc2)CC1 13740694 JGCUFOXBUYJGBX-FQEVSTJZSA-N 364.533 4.718 0 1 FJAF COc1cc([C@@H](C)OC(=O)CC(C)C)cc(OC)c1OCC=C(C)C 14817845 HRCVYSDVMNGGHJ-OAHLLOKOSA-N 350.455 4.699 0 1 FJAF biogenic CCCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18007040 MVPJEKQXGCAIGL-IFMALSPDSA-N 368.498 4.890 0 1 FJAF CCCO[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 28338559 BCFIYRQSIPGUHM-XMMPIXPASA-N 357.453 4.970 0 1 FJAF CN(C)[C@@H]1CCCC[C@H]1Oc1ccc(-c2cccc(N)n2)c2ccccc12 29343546 HAUBUNNZVAGIGM-IFMALSPDSA-N 361.489 4.736 0 1 FJAF Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1 38149572 CHYIZTPVESQVRD-UHFFFAOYSA-N 357.335 4.723 0 1 FJAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc(OCc2ccccc2)cc1 43076990 NKMYIOUUUUMJIS-XMMPIXPASA-N 370.452 4.963 0 1 FJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCCCC1 72111261 ADYVYUZAGLIZLH-UHFFFAOYSA-N 374.484 4.708 0 1 FJAF O=C(Nc1ccc([C@H]2CCNC2)cc1)OCCCc1ccc(Cl)cc1 72316890 FFRNSILDSRHZLI-KRWDZBQOSA-N 358.869 4.598 0 1 FJAF O=C(Nc1ccc(C(=O)O)c(F)c1)c1cc2c3c(c1)CCCC3CCC2 96907121 JZCCJRGWYBHELL-UHFFFAOYSA-N 353.393 4.532 0 1 FJAF CC(C)C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 102946565 UIXOARAAEKCNHD-FPDPHYFHSA-N 372.468 4.975 0 1 FJAF CCCC[C@H](C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147027893 HYWUHKAWNFZUTL-KZIOMFBYSA-N 350.499 4.526 0 1 FJAF COc1ccc2cc(CC[C@@H](C)OC(=O)CC(C)(C)CC(=O)O)ccc2c1 169333139 IIRYIURVFXGFLH-OAHLLOKOSA-N 372.461 4.604 0 1 FJAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 253635075 BLOLSIOUOOBUTD-WAZYVNGHSA-N 371.527 4.516 0 1 FJAF O=[S@@](Cc1nc2cccc(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586957652 AISRFEYQDVJCNI-SANMLTNESA-N 364.445 4.740 0 1 FJAF CCc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586999348 YADWSRYRILBNSX-GQCTYLIASA-N 371.234 4.787 0 1 FJAF COc1nccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587049692 KOTUTTZASYTZBW-UHFFFAOYSA-N 363.804 4.766 0 1 FJAF Fc1cc(F)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1Br 587137958 UHYBOSNBORKCNP-UHFFFAOYSA-N 363.083 4.688 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3ncccc3c2[nH]1)C(C)(C)C 587205871 URZBWRMMXSCPRE-INIZCTEOSA-N 368.481 4.593 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(CC14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587444638 FIAMZHIFJJRUMO-WYQWIPIPSA-N 352.474 4.808 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2cc(F)ccc12 587634358 VWVWXXJIKHPNDY-UHFFFAOYSA-N 351.299 4.876 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725701 RRRZDIBVZSPQAQ-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587931364 HXMSOCQSCZLUMV-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587936402 KYGXMWXJMCWTGM-QFIPXVFZSA-N 374.440 4.769 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](CC)O[C@H]3CCC[C@@H](C)C3)[nH]c2c1 587951833 IYOSDYHUZXJTKE-ALKREAHSSA-N 358.482 4.715 0 1 FJAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(OC)cc2)cc1 653724572 AMMNCAQAYUDQOJ-PKTZIBPZSA-N 374.436 4.824 0 1 FJAF Cc1ccc([C@]2(C3CCCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963018607 DJWWHABCQDIRAZ-CJAUYULYSA-N 374.528 4.872 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cccc(OCCN(C)C)c1 963240671 LAJPFFSQVXVKKN-NTKDMRAZSA-N 366.549 4.547 0 1 FJAF CC(=O)Nc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772585348 YGJCPXOATSLYAQ-UHFFFAOYSA-N 372.350 4.864 0 1 FJAF CCCCCCN(CCCCCC)C(=O)[C@@]1(c2ccccc2)C[C@@H]1CN 26967015 ZUIBNTGTAHQESF-FYYLOGMGSA-N 358.570 4.892 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(CC)CC 28237196 PRAPITNKKQIFOR-DLBZAZTESA-N 357.325 4.999 0 1 FJAF C[C@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1cccc(C(F)(F)F)c1 117736357 OTJIZLKGGQWOTK-XJKSGUPXSA-N 362.395 4.525 0 1 FJAF Cc1nc(N[C@@H](C)c2cccc(N)c2)cc(-c2ccc3ncsc3c2)n1 142038252 AQJJKPKWPGUXCB-LBPRGKRZSA-N 361.474 4.817 0 1 FJAF CC(C)(C)[C@]1(O)CC[C@H]2c3cccc4c3[C@@H](CN2C1)c1ccccc1CC4 169343283 UAIWUOYHTCHUPM-HWBMXIPRSA-N 361.529 4.845 0 1 FJAF Cc1nc(-c2ccccc2)sc1COc1ccnc(NCC(C)C)n1 299855504 BFSKZHDECIFIQO-UHFFFAOYSA-N 354.479 4.555 0 1 FJAF Cc1c(Br)cnc2[nH]c(CCc3cc4ccccc4o3)nc12 586904319 UUHVFCUZAAZSPX-UHFFFAOYSA-N 356.223 4.560 0 1 FJAF Clc1cccc(COc2ccc(/C=C\c3nc4cncnc4[nH]3)cc2)c1 587071451 NFIJQCJXMKYJFJ-TWGQIWQCSA-N 362.820 4.756 0 1 FJAF Cc1onc(-c2nc3c(F)cccc3[nH]2)c1COc1ccc(Cl)cc1 587074921 AQXPUEJWNZNHQF-UHFFFAOYSA-N 357.772 4.898 0 1 FJAF COc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1C 587077148 QNEOGHOYOGUDMG-SFHVURJKSA-N 355.869 4.870 0 1 FJAF O=C(CCCc1nc2c(Cl)cnc(Cl)c2[nH]1)c1ccc(Cl)cn1 587081861 HOSAOGQAIAQGGM-UHFFFAOYSA-N 369.639 4.519 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2c(F)cnc(Br)c2[nH]1 587155208 KMPHNUHIBZTBNE-JTQLQIEISA-N 368.181 4.529 0 1 FJAF O=C(Nc1cccc(-c2cc3c4c(cccc4n2)CC3)c1)c1cccnc1 587212752 LBAPLSDYSZOWNX-UHFFFAOYSA-N 351.409 4.648 0 1 FJAF CCc1ccccc1NC(=O)c1nc2c(OCc3ccccc3)cccc2[nH]1 587240724 IPYVBSPLOOJGSB-UHFFFAOYSA-N 371.440 4.957 0 1 FJAF CC1(C)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@@H]3c3ccc(F)cc3)[C@H]21 587350164 HJZFRNROABZHIV-HOQQESESSA-N 352.405 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cscc1Br)CC2=O 587494993 MXDYVYGVOCVLCO-OAHLLOKOSA-N 367.264 4.875 0 1 FJAF COc1c(F)cc(F)cc1CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504296 ISUOKJIOPIVSFS-INIZCTEOSA-N 372.411 4.819 0 1 FJAF Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)Cl 587624012 DBAWWEPDIWGUIW-UHFFFAOYSA-N 372.202 4.853 0 1 FJAF O=C(c1ccc(Cl)cc1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637826 FHDZONBSAJIOAO-UHFFFAOYSA-N 367.710 4.769 0 1 FJAF COc1ccc(/C=C/Cc2nc3cccc(Br)c3[nH]2)c(OC)c1 587930222 RAFSZYPUZSOXJP-HWKANZROSA-N 373.250 4.599 0 1 FJAF COc1cccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587931428 PSKJJPMYBVQTOK-UHFFFAOYSA-N 370.758 4.909 0 1 FJAF CN1CCc2c(Br)cccc2[C@]1(C)c1cc2c(s1)CCC2 963288580 DTAHSQYGSSSMPV-GOSISDBHSA-N 362.336 4.751 0 1 FJAF Cc1cc2onc(C)c2cc1NS(=O)(=O)c1c(Cl)cccc1Cl 2382251855 STOPBLDARCSNDA-UHFFFAOYSA-N 371.245 4.552 0 1 FJAF CCCC/C=C/[C@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 5977934 ICYNHFBKDCOUDJ-JTPHSUOKSA-N 351.446 4.691 0 3 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccc(F)cc1 96018877 ZAHCYPIYPGTKFL-PRWBYUBPSA-N 371.839 4.915 0 3 FJAF CN(C1C[C@@H]2CC[C@H](C1)N2C)C(c1ccc(F)cc1)c1ccc(F)cc1 28564517 JSMMTOCSBNIMIR-WCRBZPEASA-N 356.460 4.611 0 1 FJAF O=CN1[C@@H](c2ccccc2)CC(=O)[C@H](Cc2ccccc2)[C@@H]1c1ccccc1 28711848 PPWOMOGHZQKVKU-ARNLJNQMSA-N 369.464 4.759 0 1 FJAF CC(C)(C)c1nnc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)s1 29127478 CSQHSUSXDWAPHD-UHFFFAOYSA-N 369.450 4.667 0 1 FJAF c1ccc2oc(Oc3ccc(OCCN4CCCCCC4)cc3)nc2c1 40919149 RUOSQGLZVMYCMI-UHFFFAOYSA-N 352.434 4.875 0 1 FJAF in-vivo Cc1ccc(-c2nc(CN3CCN(c4cccc(C)c4C)CC3)co2)cc1 72101005 IOSKCJZTUDRZST-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF CC(C)S(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73224229 PBEGXDUDGVNPPT-GOSISDBHSA-N 371.546 4.563 0 1 FJAF Cc1n[nH]c(C(=O)O)c1Cc1cccc(-c2ccc(C(F)(F)F)cc2)c1 95552651 HMVKBYHYEUQOGK-UHFFFAOYSA-N 360.335 4.693 0 1 FJAF O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 166492501 XLAGKZXEQHSLPW-RZDIXWSQSA-N 362.832 4.991 0 1 FJAF Fc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167712919 XVEQFFZCOYXBJG-UHFFFAOYSA-N 362.393 4.512 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 299820876 QOBHVCSONWIIQM-OBDHYOFXSA-N 371.565 4.857 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586881185 UKIKGXFAILCRNV-YPKPFQOOSA-N 370.408 4.907 0 1 FJAF Cc1ccc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)[nH]c2n1 587144607 LWYHXXXSDBZDDG-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF CN(C)C(=O)c1ccc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2c1 587153436 RDVUKHYDOUAULV-UHFFFAOYSA-N 359.404 4.738 0 1 FJAF COc1cc(OC)c2[nH]c(-c3cc(-c4ccc(F)cc4)n(C)c3C)nc2c1 587166139 NKEVWCYDABMJMU-UHFFFAOYSA-N 365.408 4.700 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3nc(CC)oc13)CC2=O 587486456 UFKOQDCBHRHGNQ-QFIPXVFZSA-N 365.429 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(SC)c(OC)c1)CC2=O 587491795 NGBNBNFDOWMNCW-OAQYLSRUSA-N 372.486 4.956 0 1 FJAF Cc1ccccc1-n1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517222 JKRILJAKMCWKTR-DEOSSOPVSA-N 372.468 4.940 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C(C)(C)C)(C(F)(F)F)N1 587705393 MFJUUPZOSSJEOM-RTHLEPHNSA-N 368.212 4.926 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724316 GVRRVJGJGRTNBN-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccccc2F)N1 587724943 AJMAFMGEGRNAEV-DYZYQPBXSA-N 352.222 4.545 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(ccn3C)c2)N1 587754575 DZFMGXFEKATCPP-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3)CC2)N1 587820704 QEUINDGRBBVZIT-KPZWWZAWSA-N 360.270 4.895 0 1 FJAF C[C@H](N)CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772581985 HCDNXZVCYFJHDC-JTQLQIEISA-N 357.668 4.641 0 1 FJAF Cc1ccc(C(=O)Nc2nnc(C3CCCCC3)o2)cc1C(F)(F)F 1857595307 HWQOJWKUVLLWDZ-UHFFFAOYSA-N 353.344 4.697 0 1 FJAF C[C@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O 2382235431 ZGPQAVBMVJZKPG-LBPRGKRZSA-N 368.820 4.503 0 1 FJAF Cc1cccc(NC(=O)N(C)c2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945180 GLHRHNGZMOUIMV-UHFFFAOYSA-N 371.440 4.574 0 1 FJAF CCCCC[C@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)[C@@H](C)O 27090660 HQWDQCLZOGUKDS-QFUCXCTJSA-N 364.526 4.816 0 1 FJAF Clc1ccc2oc(N[C@H](CN3CCSCC3)c3ccccc3)nc2c1 28016076 XHOFKWAZNYZNIK-QGZVFWFLSA-N 373.909 4.683 0 1 FJAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@H]2CC(C)(C)CC(=O)[C@H]21 40393299 OGPGSYNCKSLJOF-ZFZWDLNGSA-N 368.951 4.949 0 1 FJAF O=C(O)CCCCCCCCCCNC(=O)c1ccc2ccccc2c1O 40504412 QVSUHPRTHBLJGQ-UHFFFAOYSA-N 371.477 4.871 0 1 FJAF O=C(O)c1cccc(-c2nnc(CCCCCCCc3ccccc3)o2)n1 40893493 KLSPYORGEVRWHS-UHFFFAOYSA-N 365.433 4.566 0 1 FJAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2ccccc2Cl)C1 66252054 CMTPDJMYNGZGLH-LSCADSNKSA-N 369.892 4.958 0 1 FJAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccccc2F)s1 82175415 SXRCHGBKDONOML-UHFFFAOYSA-N 354.454 4.791 0 1 FJAF C[C@@H](CN1CC[C@]2(C)c3cccc(O)c3C[C@@H]1[C@H]2C)OCc1ccccc1 101094072 CUHNXKIICYLWNY-OXADMNAJSA-N 365.517 4.522 0 1 FJAF Cc1ccc2nc(/C(=C\c3ccccc3)NC(=O)c3ccccc3)[nH]c2c1 103173090 IWQKTMFJOWLDEP-RCCKNPSSSA-N 353.425 4.799 0 1 FJAF CC(C)[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105482409 FYPLYVPUIGBRQE-FUHIMQAGSA-N 358.441 4.584 0 1 FJAF FC(F)(F)c1ccccc1Cc1nc2cccc(Br)c2[nH]1 587097946 LTVSTJIYDFZRHF-UHFFFAOYSA-N 355.157 4.935 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Cl)ncc2[nH]1 587162061 BPOPPHRCPGLLGW-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF CS(=O)(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164844 CWZODMXFZNCCAH-UHFFFAOYSA-N 372.446 4.501 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)F)cnc4[nH]3)c(Cl)c2c1 587174671 KLXGQSNTMVDEFX-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 587233427 OYDYTJQBWRUKML-UHFFFAOYSA-N 355.401 4.521 0 1 FJAF CCCCC[C@]1(c2ccc(N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431834 HTBAICXWNINIAA-XMSQKQJNSA-N 351.446 4.501 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c[nH]nc1-c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587438773 HUZZBAKPDNMQJP-GAJHUEQPSA-N 374.440 4.697 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc3cccnc13)CC2=O 587470152 DRTUJCAIMKFVJJ-LJQANCHMSA-N 351.377 4.739 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](C(=O)c1ccc3ccccc3c1)CC2=O 587478473 BXNZRUVVYAOEDC-OAQYLSRUSA-N 360.409 4.715 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1csc3cnc(Cl)nc13)CC2=O 587494658 LMHIDKKFEGETJZ-AWEZNQCLSA-N 374.849 4.709 0 1 FJAF O=C(O)c1cc(Cl)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498238 DFGXUGXSTQHFRV-GOSISDBHSA-N 356.805 4.624 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536455 TZMMXLNKXPFEEU-HSZRJFAPSA-N 364.441 4.607 0 1 FJAF CCCOc1cccc(Cc2nc3cc(Br)cc(F)c3[nH]2)c1 587778772 PHXCQKQKOBORFV-UHFFFAOYSA-N 363.230 4.844 0 1 FJAF COc1ccc(C)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810932 YLZDSHALKDJKLQ-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF Cc1coc(C)c1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826641 FXVCUPSJGOVYDS-DYZYQPBXSA-N 352.247 4.596 0 1 FJAF CCCC[C@H](O)c1[nH]c2cc(C)c(C(=O)O)cc2c1Cc1ccccc1 1772611242 LLCUDTZQONMYDT-FQEVSTJZSA-N 351.446 4.989 0 1 FJAF c1ccc(-c2ccc(Nc3ccnc(NCc4cccnc4)n3)cc2)cc1 1857600498 DQVMENHTTZNOBQ-UHFFFAOYSA-N 353.429 4.894 0 1 FJAF CC(=O)O[C@@]1(C)CC[C@@H](O)[C@@]2(C)CCC(C(C)C)=CC=C(C)CC[C@H]1O2 2356790381 FMVZGYMVZQDYSU-YSFYHYPLSA-N 364.526 4.710 0 1 FJAF COc1ccc(OC)c(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)c1 6730557 JXODGZNWBJERFM-UHFFFAOYSA-N 362.385 4.559 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c3c(c1)OCO3)O2 13462769 UIWUAELYQAENKN-MKPYAUAESA-N 354.402 4.703 0 1 FJAF endogenous,in-man CCOC(=O)[C@H](C)Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1 40835874 YAQGSLNNQIOOHS-LBPRGKRZSA-N 365.886 4.534 0 1 FJAF COc1ccc2c(=O)cc(/C=C/c3ccc(OC(F)(F)F)cc3)oc2c1 43073520 ZGEHPGJTWSZVPM-QPJJXVBHSA-N 362.303 4.871 0 1 FJAF O=C(c1ccccc1)[C@@H]1C[C@@H]1CN1CC=C(c2c[nH]c3ccccc23)CC1 45324240 HSVNEFNKZLUKJI-TZIWHRDSSA-N 356.469 4.776 0 1 FJAF CCCCCCc1cc2ccc(OC)cc2n1C(=O)C[C@@H](C)CC(=O)O 103270862 RELBRSKOGVTUQH-OAHLLOKOSA-N 359.466 4.914 0 1 FJAF C[C@H](N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 149785970 YTKKMJCRBAEEGJ-VIFPVBQESA-N 370.861 4.789 0 1 FJAF CC[C@H]1C(=O)N(C2CCN(C/C=C/c3ccccc3)CC2)c2ccccc21 169341853 GFNNCQAQIGNTNV-OGECGYFKSA-N 360.501 4.705 0 1 FJAF Cn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3ccc(F)cc3)cc12 169350437 BPCMNZSHMRXJCA-UHFFFAOYSA-N 369.399 4.659 0 1 FJAF CO[C@H]1c2ccccc2[C@H]2[C@H](c3c(c4ccccc4n3C)[C@@H]2C(=O)O)[C@H]1C 195472446 SAAHQXFSJMSMGY-MUNBTQEFSA-N 361.441 4.565 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4c(O)cccc4[nH]3)cc2)n1 587021489 MDGBURBJHFHXCI-UHFFFAOYSA-N 353.472 4.993 0 1 FJAF COc1cc(-c2nc3cccc(OC)c3[nH]2)cc(Cl)c1OCC(C)C 587045938 JZYOEPXKGGULRP-UHFFFAOYSA-N 360.841 4.935 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H]1C[C@H]1c1c(F)cccc1Cl)O2 587382143 OOEFFNOGHGZSQX-POEZALAKSA-N 359.828 4.897 0 1 FJAF CSc1ccc(C(=O)CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409549 HWUCESUMNDJGBP-OAQYLSRUSA-N 369.486 4.686 0 1 FJAF CCc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587412174 HOXOPULJICVXCC-LJQANCHMSA-N 364.470 4.970 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1OC)(C1CCCC1)[C@@H](C2)C3=O 587442284 KXAHKGLCMSXWJB-FDDCHVKYSA-N 364.441 4.537 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@@H]1Cn1ccnc1)CC2=O 587471182 OLMJJPUKXCIHDJ-ZHRRBRCNSA-N 368.477 4.526 0 1 FJAF CC1(C)COC2(CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)OC1 587535807 OCHQWPJWIBCLDP-UHFFFAOYSA-N 370.489 4.613 0 1 FJAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724318 GVRRVJGJGRTNBN-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)OC(C)(C)C2)N1 587835619 WQIVDAIZXBNDDU-LLVKDONJSA-N 370.306 4.685 0 1 FJAF COc1cccc2c1[C@@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962710274 LHEGDRXLTGPVNA-JOCHJYFZSA-N 365.498 4.988 0 1 FJAF CN1C(=O)C[C@H]2CN[C@](c3ccsc3)(C3CCCCC3)c3cccc1c32 963020273 FAMLDADSYFPFAG-NYHFZMIOSA-N 366.530 4.625 0 1 FJAF CN1CCc2c(Br)cccc2[C@@]1([C@H](O)C(C)(C)C)C(C)(C)C 963290779 YLIRTSWYWJFSLC-VQIMIIECSA-N 368.359 4.585 0 1 FJAF CCCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2ncccc12 28222334 NRNJWZLAKSNZKA-MRXNPFEDSA-N 359.514 4.742 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 28645124 WWQBRKMNPXXKQJ-AEFFLSMTSA-N 366.505 4.867 0 1 FJAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cc[nH]n2)cc1 28890479 INIRYXVQMDPJEV-UHFFFAOYSA-N 361.424 4.885 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34212562 LKCRMGJZGXVDFH-KIYUKQTRSA-N 357.538 4.515 0 1 FJAF Clc1ccc(-c2nnc(CCCCc3ccc4cccnc4n3)o2)cc1 95577198 JCFJKQLQKRHRNS-UHFFFAOYSA-N 364.836 4.899 0 1 FJAF COc1ccc(N(CC[C@@H]2CCCCN2C)c2ccccc2)cc1OC 474605823 GFPHZVSJDFZILH-SFHVURJKSA-N 354.494 4.716 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586880774 RWTSLVVWKQAKMM-QBFSEMIESA-N 368.392 4.559 0 1 FJAF CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 586970196 BOUAFIZNGMWSBI-UHFFFAOYSA-N 364.287 4.638 0 1 FJAF CC(C)(C)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587041375 NBLPUDWBBRSURB-RTBURBONSA-N 351.519 4.807 0 1 FJAF Cc1c(F)ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587115099 NOXQNNKZAJMVHH-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3cccnc3)c(C)c1)O2 587394158 CXDKRBNUMRROHT-OAQYLSRUSA-N 360.413 4.779 0 1 FJAF CCCOc1ccc2[nH]cc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397139 TXSRXNAPSDSVQE-FQEVSTJZSA-N 350.418 4.554 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc4cc(Cl)cc(C)c4n1)[C@@H](C2)C3=O 587419872 FQIZBUAONXAAAE-YCRPNKLZSA-N 365.816 4.694 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(O)c2ccoc2c1 587617637 QCIBXOOORIYWCI-SIKLNZKXSA-N 374.348 4.547 0 1 FJAF COC(=O)Cc1[nH]c2cccc(F)c2c1-c1cccc(C(F)(F)F)c1 587633396 AQZIINFITSVBSI-UHFFFAOYSA-N 351.299 4.708 0 1 FJAF CCc1cccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587721191 PDRUOYSYDGCKES-MLCYQJTMSA-N 366.249 4.913 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccccc1Cl 587870493 AMSXYIIZHGJGPL-UHFFFAOYSA-N 359.788 4.822 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=N)c1ccc2ccccc2n1 587870744 QOOADTRAYMAFCQ-UHFFFAOYSA-N 360.392 4.510 0 1 FJAF Cc1cc(-c2sc(Cc3cc(F)cc(Cl)c3)nc2C)ccc1C(N)=O 1772574951 GXKYFBVXBMKDME-UHFFFAOYSA-N 374.868 4.909 0 1 FJAF O=C(Nc1ccc(OC(F)F)cc1)c1ncc(Cl)c(Cl)c1Cl 3534309 WHGAULQOYDLRIR-UHFFFAOYSA-N 367.566 4.896 0 3 FJAF O=C(c1c(F)cccc1F)n1c(-c2c(F)cccc2F)nc2ccccc21 5975012 XPQCYCBGLIGROT-UHFFFAOYSA-N 370.305 4.948 0 1 FJAF COc1ccc(/C=C\C(=O)O)cc1C/C=C(/CCC=C(C)C)COC(C)=O 14453173 WSBFBHTWXLODOA-JFNLOLICSA-N 372.461 4.571 0 1 FJAF CN(C)CCNCc1ccccc1Sc1ccc(Cl)cc1Cl 22939868 WWCPIKRZJNNLIN-UHFFFAOYSA-N 355.334 4.796 0 1 FJAF O=C(NC1CCCC1)Oc1cccc(C(=O)c2nc3ccccc3s2)c1 28710797 PVIVDGJGEXYCSR-UHFFFAOYSA-N 366.442 4.558 0 1 FJAF CCc1c(-c2ccc(OC(C)=O)cc2)n(CC)c2cc(OC(C)=O)ccc12 29225939 SHWLIZIRXJFSIG-UHFFFAOYSA-N 365.429 4.741 0 1 FJAF Cc1ccc2[nH]cc(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c2c1 40420559 ICOOFOPJNLACRM-UHFFFAOYSA-N 358.401 4.619 0 1 FJAF COc1ccc(/C=C/c2cc(=N)c3ccccc3[nH]2)cc1Br 45194269 MJCWABWVXSCOAC-SOFGYWHQSA-N 355.235 4.589 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c([C@H]3CCCCC[C@H]3O)nnc12 72109149 JGUHONHSPUGTCT-GOEBONIOSA-N 371.868 4.892 0 1 FJAF O=C1CCN(CCc2ccccc2)C[C@H]1C(c1ccccc1)c1ccccc1 72111348 JOKIEPRIIDTXDN-XMMPIXPASA-N 369.508 4.952 0 1 FJAF Cc1ccc(C(=N)Nc2ccc3[nH]cc(C4=CCN(C)CC4)c3c2)s1 73278354 ADDLJEXSVRKASP-UHFFFAOYSA-N 350.491 4.694 0 1 FJAF CCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@@H](C)C(=O)O)cc21 95553012 GZIZYOXOCOOJDZ-GFCCVEGCSA-N 372.852 4.994 0 1 FJAF COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4)c3c2s1 96270427 BGXZIBSLBRKDTP-UHFFFAOYSA-N 369.837 4.608 0 1 FJAF in-vitro c1ccc(Oc2ccc(-c3cnc4cnc(-c5cn[nH]c5)cn34)cc2)cc1 103215328 QJLVMEZZMRVXHB-UHFFFAOYSA-N 353.385 4.579 0 1 FJAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1 103662162 HDLWJZYEOPZNMK-CQSZACIVSA-N 366.490 4.631 0 1 FJAF CC(C)[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105482419 FYPLYVPUIGBRQE-SQGPQFPESA-N 358.441 4.584 0 1 FJAF CC(=O)OC/C(=C\CC/C(C)=C/CO)CC/C=C(\C)[C@H](O)CC=C(C)C 144778088 ZCOFHYGAZMGATH-ORMYALOKSA-N 364.526 4.638 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2cnc(Cl)[nH]c-2n1 587013876 CXFSEXMVMUHFSA-UHFFFAOYSA-N 362.245 4.710 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)c(F)ccc2[nH]1 587075357 BXWFLNVZSZUQGX-UHFFFAOYSA-N 357.747 4.929 0 1 FJAF C[C@@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157341 SQRVTOCJFPQIGH-KRWDZBQOSA-N 363.314 4.512 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccsc32)[C@H]1c1ccc(F)cc1 587370949 CVFOFDKOFQYSDP-GHTZIAJQSA-N 366.413 4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3)nc1)O2 587379875 LSNPUXYVEDNIJG-HXUWFJFHSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3ccccc3n1CCC(C)C)O2 587389156 FNPXZMAWEJEVHI-HXUWFJFHSA-N 363.461 4.680 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Oc3ccc(C=O)cc3)cc1)O2 587404771 ZINUAGRPRRTLFJ-JOCHJYFZSA-N 373.408 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccc(OC)c(F)c1)CC2=O 587468951 ZFDUKAUFGLKLMW-ASSNKEHSSA-N 372.436 4.705 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1Cl 587498378 NOAKMOHSTDDCPY-QGZVFWFLSA-N 358.821 4.640 0 1 FJAF O=C1C[C@@](c2ccccc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515499 OVLMXLBYYVTDQS-XMMPIXPASA-N 355.437 4.869 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Cl 587570408 WQQOWAKUBYQQDW-XLIONFOSSA-N 370.763 4.888 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587575065 IACFAIPWIOFYBG-KNQAVFIVSA-N 357.365 4.820 0 1 FJAF CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609937 FAVQTVXSFSSBMP-FXAWDEMLSA-N 352.411 4.721 0 1 FJAF C[C@@]1(c2csc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615194 WXFXLMLUXWWEKS-APWZRJJASA-N 372.829 4.984 0 1 FJAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2ccc(F)c(Cl)c12 587629263 HITOZIGASPCOEE-UHFFFAOYSA-N 353.727 4.923 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cc(F)c(F)cc1F 587658355 MQFGUCCXILGIGK-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF CCc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587819595 VJXOLTUGWRNOGF-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C)c(OC)cc4[nH]3)cc2)c1 587933278 XKGGNMOWSSHHNC-UHFFFAOYSA-N 372.424 4.787 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3c(Cl)c(Cl)cnc3[nH]2)CC1 587971267 XSJJWCQGGVVCFB-UHFFFAOYSA-N 360.244 4.694 0 1 FJAF COc1ccc2c(c1OC)[C@@](C)(CSc1ccccc1)N(C)[C@H](C)C2 962632087 OOGKPFHEOHXFNM-QVKFZJNVSA-N 357.519 4.588 0 1 FJAF C[C@]1(c2ccc3c(c2)CCC(=O)N3)NCCc2cc(-c3ccccc3)ccc21 962667772 MDGDBSASZZPJPS-RUZDIDTESA-N 368.480 4.648 0 1 FJAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3cc(C)c(C4CCNCC4)cc23)c1 1857565944 RPRVSEMRMSMXLT-QGZVFWFLSA-N 374.532 4.617 0 1 FJAF O=C(O)c1ccc(NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 1857578283 GGYXCGBSBDGADN-UHFFFAOYSA-N 351.377 4.715 0 1 FJAF C[C@H](NC(=O)c1cc2c(Cl)ccc3c2n1C[C@@H](C)O3)c1ccccc1 6750817 WJDFYRZAAURMQL-OLZOCXBDSA-N 354.837 4.567 0 1 FJAF CC1(C)CCC[C@]2(C)Oc3c(c(O)cc(O)c3C(=O)c3ccccc3)C[C@H]12 13376338 NUBZMOOMCLFMKK-JPYJTQIMSA-N 366.457 4.849 0 1 FJAF biogenic O=C1c2ccc(Cl)cc2CCC12CCN(CCc1ccccc1)CC2 13472081 IWOPGTFNUXEULQ-UHFFFAOYSA-N 353.893 4.794 0 1 FJAF Cc1c(O)c(Cl)c(C)c2c1OC(=O)c1c(C)c(Cl)c(O)c(C)c1O2 14828992 JGXRBDRZSIWUMA-UHFFFAOYSA-N 369.200 4.963 0 1 FJAF biogenic CCCCCCN(CCCCCC)C(=O)[C@@]1(c2ccccc2)C[C@H]1CN 26967032 ZUIBNTGTAHQESF-JTHBVZDNSA-N 358.570 4.892 0 1 FJAF CN(C)C1(c2cccc(O)c2)CCC(O)(CCc2ccc(Cl)cc2)CC1 27088060 OHVURZRMHPFHNK-UHFFFAOYSA-N 373.924 4.740 0 1 FJAF Fc1cccc(CNC[C@H]2CCC[C@@H](CNCc3cccc(F)c3)C2)c1 45357522 ZBBUJZRTQIYWTK-HDICACEKSA-N 358.476 4.651 0 1 FJAF CC(C)(C)N1CCC(N[C@@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103451 JRHVVWUVSZIVBH-FQEVSTJZSA-N 357.929 4.677 0 1 FJAF Clc1ccc(-c2nc3sc(C4CC4)nn3c2Br)cc1 72177175 GLAGOTWGTURPSX-UHFFFAOYSA-N 354.660 4.751 0 1 FJAF Cc1ccc(CNCc2coc(-c3ccccc3Br)n2)cc1 72182139 VCTSHGFDAGCHDM-UHFFFAOYSA-N 357.251 4.702 0 1 FJAF C[C@@](O)(CSc1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)no1 73294312 IFRDDBPCOSYMKI-QGZVFWFLSA-N 364.829 4.529 0 1 FJAF CSCOc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243493 BAOIPKDJQVVWJF-UHFFFAOYSA-N 362.834 4.725 0 1 FJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccccc1Cl 104115755 LCNVQFVLPICEEC-SCDSTIRESA-N 360.845 4.603 0 1 FJAF FC(F)(F)c1cc(-n2cc(-c3ccccc3)nn2)cc(C(F)(F)F)c1 169338581 RJKLUBFUPKZIJZ-UHFFFAOYSA-N 357.257 4.972 0 1 FJAF Cc1cc(-c2nc3nc(Cl)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879770 QTJUNGIPBGKBQU-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF COC(=O)c1cccc2nc(-c3cccc(-c4ccc(C(C)=O)cc4)c3)[nH]c12 586881625 YNJXOZBCNKJFHP-UHFFFAOYSA-N 370.408 4.886 0 1 FJAF OCCCCCCCCCCCc1nc2ccnc(Br)c2[nH]1 586894615 OSJKPEHRMBNLOG-UHFFFAOYSA-N 368.319 4.766 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccc(F)c(F)c2[nH]1 586996563 QWBHGICZUVYPGC-UHFFFAOYSA-N 367.193 4.918 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]([C@H]1CCOC1)CC4)-c1ccccc1C2=O 587102240 UHUFFBYJFGETON-HOTGVXAUSA-N 369.464 4.896 0 1 FJAF Cc1cc(Cl)cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587108018 GEWMSHAQELTXQM-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF Cc1cnc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c1 587122046 PGYLGLNPSJPMAQ-UHFFFAOYSA-N 358.323 4.689 0 1 FJAF O=C(/C=C/c1nc2ccc(SC(F)(F)F)cc2[nH]1)Nc1ccccc1 587244971 UAJMYISRDXEYQX-CMDGGOBGSA-N 363.364 4.827 0 1 FJAF CC[C@@]1(c2cccc(C(F)(F)F)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420399 KSNYSHNMIAOWBB-BEFAXECRSA-N 362.347 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(OC)cc3s1)CC2=O 587494119 IHLDQXSLLDTAHE-QGZVFWFLSA-N 369.442 4.670 0 1 FJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517233 JNLZQDWXXMYRSQ-MZKRTTBSSA-N 353.506 4.554 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587557658 OGCLQQLPWGONSN-HRAATJIYSA-N 368.335 4.682 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587565615 NEMVDJUDKQEWCW-UHFFFAOYSA-N 352.434 4.601 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(F)cc2)N1 587731009 GQXDFDBCFDXOGA-BTDLBPIBSA-N 352.222 4.545 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(F)c2)N1 587733028 PNUMFMPUTJNMEL-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF COc1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cc(OC)c1O 587785288 KNNHUCVNKZVEOX-UHFFFAOYSA-N 362.385 4.745 0 1 FJAF COc1ccc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c(OC)c1C 587788242 SJYIBKNCFPCMIT-UHFFFAOYSA-N 354.303 4.713 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817544 MDFMPCLZHMTPDD-JFJFPDHYSA-N 352.291 4.774 0 1 FJAF CC(C)c1cnc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587854243 QUUQPUKCBWMGKP-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cncc(Cl)c4[nH]3)c2)c1 587933659 URXGNACFBVONFN-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CN[C@@]21CCC12CCCC2 962960773 VJWLDRNNSJEBJL-FQEVSTJZSA-N 365.439 4.906 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)O)c1c(C)cc(C)cc1C 963228701 MMXNKFSSHZOMNC-WZONZLPQSA-N 351.490 4.597 0 1 FJAF CCn1c(=O)cc(C2CC2)c2cc(N3C(=O)CC[C@H]3c3ccccc3)ccc21 1857543667 FDSJYGAJUQFFPL-NRFANRHFSA-N 372.468 4.767 0 1 FJAF Cc1cc(C)c(S(=O)(=O)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 1857616854 WUALXRUVCKJNKV-UHFFFAOYSA-N 357.519 4.681 0 1 FJAF CC1=C[C@H](CN(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)cnc2[nH]1 2356288006 UCPYZDLSTNJXDN-UXLLHSPISA-N 360.933 4.570 0 1 FJAF Oc1ccc(-c2cnc3cnc(-c4cccc(C(F)(F)F)c4F)cn23)cc1 2382247063 YZPGYPLVGFSNIP-UHFFFAOYSA-N 373.309 4.927 0 1 FJAF CC(=O)c1cccc(NC(=O)c2cccc3c(-c4cccnc4)coc23)c1 61925545 NNMHIAXSBVDKSB-UHFFFAOYSA-N 356.381 4.950 0 3 FJAF CN(C)C(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 4053643 IJFINYZDJLNBGI-JTHBVZDNSA-N 370.452 4.534 0 1 FJAF Cc1c(CN[C@H]2CCC[C@@H](C)[C@@H]2C)c(C(=O)O)c(C)n1Cc1ccccc1 5146579 YTCVOOYFAFINKO-XFQAVAEZSA-N 368.521 4.766 0 1 FJAF c1ccc2c3nnc(c2c1)SCCSCCCSCCS3 6002023 MUJRDKQOTLHNFE-UHFFFAOYSA-N 354.591 4.684 0 1 FJAF C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 10450455 WRSSBTLLIWVGAI-LLVKDONJSA-N 367.232 4.501 0 1 FJAF CCCCCn1cc(C(=O)N[C@@H](C)c2ccccc2)c(=O)c2ccccc21 13678335 XZBHQISWFMCUHI-KRWDZBQOSA-N 362.473 4.683 0 1 FJAF CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1 14974025 VLTDPHWBZLQDBR-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF Cc1cccc(Cl)c1Nc1nc2c(N(C)C)cccc2n2cncc12 26570367 GNLCBVRAJXMVTH-UHFFFAOYSA-N 351.841 4.654 0 1 FJAF CCCCc1nc2[nH]ncc2c2nc(-c3ccc(-c4ccccc4)cc3)nn12 27212023 PEKGKJUBGJYRIG-UHFFFAOYSA-N 368.444 4.677 0 1 FJAF COc1cc2c(cc1OC)CN(CCc1ccc(-c3ccccc3)cc1)CC2 35050014 ASHLXNVCZVFOQR-UHFFFAOYSA-N 373.496 4.972 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccccc3)s2)cc(OC)c1OC 40979531 VIZOIAROOYWWCU-UHFFFAOYSA-N 354.427 4.672 0 1 FJAF CC(C)(C)c1ccc(S(=O)(=O)N2CCC=C(c3ccccc3)CC2)cc1 43019593 KEQYWPGTTSGRPO-UHFFFAOYSA-N 369.530 4.852 0 1 FJAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN[C@H](C)c4ccccc4)[C@H]3C=C12 82051615 JFWJNPMZQASWPB-HXLBFEBVSA-N 353.506 4.651 0 1 FJAF CCCCCn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181025 RIICGXAMUSIMJS-UHFFFAOYSA-N 367.472 4.688 0 1 FJAF CC1=C[C@@H](OC=O)C[C@@H]2[C@@](C)(CC[C@@H](C)CC(=O)O)[C@H](C)CC[C@@]12C 85842153 VXSGTONZSZIHQH-JNBORBBOSA-N 350.499 4.828 0 1 FJAF c1ccc(CCCCN2CCN(CCCCc3ccccc3)CC2)cc1 89470214 YGXNGWRHTCJNBK-UHFFFAOYSA-N 350.550 4.650 0 1 FJAF Cc1cc(F)cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140186948 ZJOMUXJGIKLTCB-UHFFFAOYSA-N 370.431 4.743 0 1 FJAF O[C@@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586900434 CBNMLFKWGFOZBW-QMTHXVAHSA-N 368.742 4.684 0 1 FJAF CC/C=C/CCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990576 ZHKYZPWZNPRLNQ-ONEGZZNKSA-N 373.408 4.665 0 1 FJAF Cc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1Cl 587108695 PJBHZCKTDRGPJQ-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)cc1F 587137975 UZMUSXWARZNGDV-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587151935 WWLSYCVOFYDQLE-QMMMGPOBSA-N 358.266 4.880 0 1 FJAF C[C@@]1(Cc2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372642 FSZDCBNBXFTSNC-CTNGQTDRSA-N 368.429 4.953 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1nc(-c4ccc(C)cc4)cs1)[C@@H](C2)C3=O 587448750 BWIUXFOKBRYZTG-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(N)cc21 587468236 CJDJOSIBXWERAO-XMMPIXPASA-N 371.436 4.816 0 1 FJAF COCCCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522444 LYUCVVXWPWKTFF-JOCHJYFZSA-N 366.457 4.687 0 1 FJAF CC[C@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568073 COJNGCFOELQXKF-SIKLNZKXSA-N 364.372 4.798 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(C)(C)C)N1 587753428 IRVUNAUTNNREJX-PIGZYNQJSA-N 365.290 4.768 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(ccn3C)c2)N1 587754576 DZFMGXFEKATCPP-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3ccccc3OC2)N1 587834632 LUTHHFKKJCENCV-NSPYISDASA-N 374.253 4.640 0 1 FJAF CC(C)c1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587854816 UFEQZPYRDLBOQW-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF COc1ccc(/C=C/Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1 587928391 BBBIUPKJOZKDDQ-ONEGZZNKSA-N 364.232 4.538 0 1 FJAF COc1ccc(/C=C\Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1 587929658 OMLABXQQXBOERY-ARJAWSKDSA-N 364.232 4.538 0 1 FJAF COc1ccc2c(c1)[C@@](C)(c1cc3cc(F)ccc3[nH]1)N(C(C)C)CC2 962095248 YFYSWMHRXVLNJG-QFIPXVFZSA-N 352.453 4.846 0 1 FJAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)N(c1cccc(Cl)c1)C2=O 1857618879 ICUIXFPXTPCLMF-KRWDZBQOSA-N 358.228 4.775 0 1 FJAF CCCCC[C@H](C)OC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398984 AMXGGSMKASENPO-YEOCCRFSSA-N 352.515 4.967 0 1 FJAF CCN1CCN(CCCCOc2ccccc2/C=C/c2ccccc2)CC1 27729382 KSHQVKWKBXDIPY-CCEZHUSRSA-N 364.533 4.654 0 1 FJAF Cc1cc(C)cc(-c2nn3c(=O)c4c5c(sc4nc3s2)CCCC5)c1 28814834 MJBMVJHRTNJQIO-UHFFFAOYSA-N 367.499 4.528 0 1 FJAF CCN1CCC[C@@H](Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)C1 66076458 JDVNBGBHCSSKFP-GOSISDBHSA-N 373.504 4.916 0 1 FJAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3F)c2)n1 103248605 FVFZOYUYFIPIDZ-UHFFFAOYSA-N 359.788 4.600 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)c(F)c3)cc12 205309944 VJRMUMYLSWYBNV-UHFFFAOYSA-N 359.784 4.697 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c[nH]cc1CCC3 586990434 XNCYJFJODFQIGI-UHFFFAOYSA-N 352.393 4.636 0 1 FJAF COc1cccc(O)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586992110 NTSDNRGZFOVQPO-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)s1 587015149 YQMALNZNZNXYJN-ZETCQYMHSA-N 357.266 4.794 0 1 FJAF COc1cc(OC)c2[nH]c(CCCOc3ccc(Cl)cc3C)nc2c1 587066712 PQLHKNRZXWIILY-UHFFFAOYSA-N 360.841 4.554 0 1 FJAF N=c1cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc2[nH]1 587254095 QBRKKNVELWQHQM-UHFFFAOYSA-N 373.641 4.607 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@@H](CO)C3)c1 587366375 OLYIYOOLTUGZRD-CQSZACIVSA-N 359.425 4.754 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c(C)cc(C)cc31)CC2=O 587483265 FEAOHTGLNZETGP-HSZRJFAPSA-N 366.457 4.995 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1cccc(C=O)c1)(C1CCC1)CC2=O 587491887 ZYRZVHNIDMRHEL-QHCPKHFHSA-N 364.441 4.818 0 1 FJAF C[C@@]1(c2ccc(Br)o2)CC(=O)c2ccc3c(c2O1)CCCC3 587500273 VUULCLMDWTZXLP-SFHVURJKSA-N 361.235 4.802 0 1 FJAF C=Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601737 GUOUBAZULCKBNT-REWPJTCUSA-N 358.393 4.912 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)C(=O)OC)c2c1 587642757 PZCDZFCYLLRDCH-LBPRGKRZSA-N 353.393 4.843 0 1 FJAF O=C(Cc1ccc(-c2ccccc2)cc1)n1ncc2ccc(Cl)cc2c1=O 587651978 IDLFOYFCHHTGOO-UHFFFAOYSA-N 374.827 4.600 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccccc23)N1 587801460 GQWTYYPBTIYIFI-NSPYISDASA-N 373.269 4.867 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3c2)N1 587804722 SAMGXVZBSRZVJN-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](C)CC2CCOCC2)N1 587834251 KNNNZLIFZUFQNR-FMTVUPSXSA-N 370.306 4.616 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(CC(F)(F)c2ccccc2)CC1 1857589827 ZKVYPKCSWWJJAH-UHFFFAOYSA-N 372.459 4.686 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@@H]12 2356795764 MKVKXBDCGXCJJX-SZAKXYGASA-N 368.517 4.864 0 1 FJAF O=C(O)c1ccc(-c2ccc(-c3cc4ccc(O)cc4oc3=O)cc2)cc1 2382243618 WXDMESLDXVYBQW-UHFFFAOYSA-N 358.349 4.531 0 1 FJAF O=C1[C@H](n2ccc3ccccc32)c2ccccc2N1Cc1ccc(Cl)nc1 206027382 SQUUKENVAIHINC-OAQYLSRUSA-N 373.843 4.826 0 3 FJAF Cc1nc(C)c(-c2ccnc(Nc3ccccc3C(F)(F)F)n2)s1 13559865 IMTFOOWOQIKQFL-UHFFFAOYSA-N 350.369 4.979 0 1 FJAF CC[C@H](c1ccc(O)cc1)[C@@H](C(=O)CCCCN(C)C)c1ccc(O)cc1 27896708 OZVHUSQPMZTMHA-GGAORHGYSA-N 369.505 4.676 0 1 FJAF O=CN1[C@H](c2ccccc2)CC(=O)[C@@H](Cc2ccccc2)[C@@H]1c1ccccc1 28711847 PPWOMOGHZQKVKU-CUYJMHBOSA-N 369.464 4.759 0 1 FJAF FC(F)(F)Cc1nc2cc(Cl)c(Cl)cc2n1Cc1ccccn1 28817561 KCKKYHUDHISWTL-UHFFFAOYSA-N 360.166 4.891 0 1 FJAF CSc1ccc(N2C(=N)C(=S)N(c3ccc(Cl)cc3)C2=O)cc1 69061610 ONTXZCYOXGTJGW-UHFFFAOYSA-N 361.879 4.813 0 1 FJAF Cc1oc(-c2cnc(N3CCCC3)nc2-c2ccco2)nc1-c1ccccc1 82165618 QNNRPOCFPMNDAB-UHFFFAOYSA-N 372.428 4.967 0 1 FJAF CCCCOc1cc(NC(=O)N[C@H]2CCc3ccccc32)ccc1OC 95559848 QYAHXNNZUOPOET-SFHVURJKSA-N 354.450 4.683 0 1 FJAF CN(C)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccco1 103255802 GOULJXIKLHTLCF-UHFFFAOYSA-N 352.438 4.522 0 1 FJAF CCCCC[C@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)[C@H](C)O 253635971 HQWDQCLZOGUKDS-DSKINZAPSA-N 364.526 4.816 0 1 FJAF COc1ccc(N2O[C@H](CO)C[C@H]2c2ccc(-c3ccccc3)cc2)cc1 254093008 LEVMIUWXDINKKO-GOTSBHOMSA-N 361.441 4.606 0 1 FJAF CN1CCc2cc(NCc3ccccc3)c(O)cc2[C@@H](c2ccccc2)C1 299825377 CIGXEMMADCNHCG-JOCHJYFZSA-N 358.485 4.624 0 1 FJAF Cc1noc(C)c1-c1ccc(-c2nc3ccncn3c2NC(C)(C)C)cc1 299833312 KNHABRPOBUPNAU-UHFFFAOYSA-N 361.449 4.879 0 1 FJAF [O-][n+]1ccccc1SCc1nc2ccc(Sc3ccccc3)cc2[nH]1 586968895 KKNSNGCUTCRLDA-UHFFFAOYSA-N 365.483 4.640 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587016798 NVCLELFUWXMOHA-GFCCVEGCSA-N 364.268 4.609 0 1 FJAF FC1(F)Oc2cc3nc(-c4ncsc4-c4ccccc4)[nH]c3cc2O1 587027748 JAUKJOQGVQJDRS-UHFFFAOYSA-N 357.341 4.675 0 1 FJAF CCOC(=O)c1ccc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587068864 DXHBUSFRFYSWFW-GFCCVEGCSA-N 370.836 4.770 0 1 FJAF Fc1cc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1-n1cccn1 587085420 RNOOLXHNRFHVAS-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1)(c1ccco1)[C@@H](C2)C3=O 587424360 YZJSTIMZOKFCNM-HRAATJIYSA-N 366.800 4.633 0 1 FJAF Cn1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517122 HHOHZYUOZIJWRB-JOCHJYFZSA-N 358.441 4.672 0 1 FJAF CC[C@@]1(c2ccc(C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528534 BBMNQZIYBKIVOZ-QFIPXVFZSA-N 350.414 4.534 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587782555 PRBDIZZVCWHAMJ-UHFFFAOYSA-N 369.783 4.702 0 1 FJAF COc1ccc(C=O)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587787662 QBWBZILTAUXIOB-UHFFFAOYSA-N 370.714 4.603 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 587872018 SRFCMGPIQGFUQL-QFBILLFUSA-N 356.441 4.967 0 1 FJAF CN(C)C(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956312 WKUVSVWQSDJGAE-HXUWFJFHSA-N 369.468 4.639 0 1 FJAF O=C(O)[C@@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(CCCCCCCC2)N1 962700049 PPSWKFVWDSUELL-INIZCTEOSA-N 373.390 4.773 0 1 FJAF O[C@@H](CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1 1857629087 LHSVULDHGHEPFH-FQEVSTJZSA-N 363.835 4.831 0 1 FJAF COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCC2)cc1OC 2382226339 YJZAIXJTSBEEKC-UHFFFAOYSA-N 351.450 4.681 0 1 FJAF O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H]1c1noc2ccccc12 206030322 RUTPCSUTSYOUSR-OAHLLOKOSA-N 360.335 4.824 0 3 FJAF CC(C)=CCc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc3c2c1O[C@@H](C)C3 13461821 PSLCLCSSZBRNPD-ZDUSSCGKSA-N 370.445 4.560 0 1 FJAF biogenic COc1ccc(OC)c([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)c1 14727688 SZUUCCHCUGGUGG-GKHNXXNSSA-N 372.461 4.806 0 1 FJAF biogenic CC(C)C[C@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18044733 FBDKOQFGRLCPEZ-IFMALSPDSA-N 368.498 4.746 0 1 FJAF c1ccc2c(c1)CCN(c1cc(Oc3ccc4ccccc4c3)ncn1)C2 38443245 FQMNHLQCLYVGDX-UHFFFAOYSA-N 353.425 4.985 0 1 FJAF OCCCCC[C@@H](O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 64373397 ZLHDGCCKWXRUCV-GOSISDBHSA-N 354.368 4.838 0 1 FJAF CCCN(C[C@@H](O)CC/C=C(\Cl)c1nc2ccccc2o1)C(C)C 84633946 IETQRJPZMCDISP-HVVQPJKBSA-N 350.890 4.669 0 1 FJAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccccc2Cl)O1 167664682 IAYVUQJOKDFLAL-NHCUHLMSSA-N 374.827 4.657 0 1 FJAF Cc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2nc(O)cs2)cc1 169726283 WBTFVEFVTJEMNS-QGZVFWFLSA-N 353.422 4.652 0 1 FJAF CCC(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205717115 MXZPGNOPALOWQW-KRWDZBQOSA-N 366.358 4.810 0 1 FJAF COc1ccccc1CCC1CCN(CCc2ccccc2OC)CC1 211357615 HXBPGVHRNJWRDP-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF Fc1c(Br)ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886360 FXLWKLZGIKDDSP-KPZWWZAWSA-N 357.226 4.836 0 1 FJAF Cc1cc(Cl)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 586996033 QOZINUNFXGZKCB-UHFFFAOYSA-N 364.674 4.942 0 1 FJAF CC(C)(Cl)c1nc2c(Br)ccc(Br)c2[nH]1 587009072 UOSACOUWZXALDO-UHFFFAOYSA-N 352.457 4.562 0 1 FJAF Cc1ccc2c3c(c(C(C)C)c(-c4ncnn4C)nc13)-c1ccccc1C2=O 587096047 CKYKMALRRKQLON-UHFFFAOYSA-N 368.440 4.674 0 1 FJAF Nc1ccc(-c2ccc3nc([C@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1N 587162259 UUNWXRJVZREDOU-SJORKVTESA-N 358.420 4.805 0 1 FJAF COC(=O)c1cccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c12 587196725 WCWZGDBARAKRBG-UHFFFAOYSA-N 371.440 4.556 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc(C(F)(F)F)c1F)O2 587383333 WEZOWMBWHZREIG-GFCCVEGCSA-N 367.342 4.702 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccc(C)cc1)(c1ccccc1)[C@@H](C2)C3=O 587446022 ROLMQSJUZLMJFI-SQJMNOBHSA-N 370.448 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(F)cc1)CC2=O 587472476 RJMQJPJRNBOHJZ-OAQYLSRUSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1nccs1)CC2=O 587492484 AAKJAVLYVXDJTF-OAQYLSRUSA-N 365.454 4.710 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602289 HPXPKXVQKBWMLZ-KLLUNRAKSA-N 364.441 4.939 0 1 FJAF CCc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816000 SHIKNFVHHDKDNN-BUXKBTBVSA-N 362.286 4.948 0 1 FJAF Cc1cccc2c1CC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587816871 FFUGFBMWCUOVGR-BLVKFPJESA-N 360.270 4.621 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2S)N1 587841738 CHDMQSDNSLRWON-QGHHPUGFSA-N 366.299 4.675 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2C2CC2)N1 587853084 KRYLPXSTJNDMSD-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF COc1ccc(CN2CCC(F)(F)[C@@H](CCc3ccccc3)C2)cc1F 1772609238 ZCEZESWKLAURKG-SFHVURJKSA-N 363.423 4.924 0 1 FJAF Cc1ccccc1C(=O)Nc1ccc(C(=O)N2CCCc3ccccc32)cc1 13757914 YADBBXNZWAKUJI-UHFFFAOYSA-N 370.452 4.840 0 1 FJAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(O)cc23)C1(C)C 14975771 DBXZDGMTWMJNOG-UHFFFAOYSA-N 355.478 4.638 0 1 FJAF CC(C)(C)c1ccc2oc(N3CCN(c4ncccc4Cl)CC3)nc2c1 28337626 QJIIZBBJVNIJTP-UHFFFAOYSA-N 370.884 4.500 0 1 FJAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)[C@@H](c1ccccc1)C1CCCC1 36188231 UXGYHPCEXONQIZ-JQVVWYNYSA-N 356.554 4.730 0 1 FJAF C[C@H](Oc1cccc2ncccc12)c1cn(-c2ccc(Cl)cc2)nn1 43017536 MPMFFQKULZFNCW-ZDUSSCGKSA-N 350.809 4.609 0 1 FJAF O=C(c1ccccc1F)N1CC[C@@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 61924196 WGNACKKMWWBSIB-ZHRRBRCNSA-N 364.464 4.891 0 1 FJAF CCC[C@H]1CC(=O)Oc2c(CC=C(C)C)c(O)c3c(c21)O[C@@H](C)[C@H](C)C3=O 85834579 NLJGDOQXTXBYON-IHRRRGAJSA-N 372.461 4.693 0 1 FJAF Cc1ccc2c(Sc3cc(Cl)cc(Cl)c3)c(CC(N)=O)[nH]c2c1 95583243 IWRLJIDHDZUKJF-UHFFFAOYSA-N 365.285 4.962 0 1 FJAF CCc1cccc([C@@](SCCN)(c2ccccc2)c2cccc(O)c2)c1 95584425 LKEJFEOGGYEWTI-QHCPKHFHSA-N 363.526 4.938 0 1 FJAF COc1ccc(F)c(-c2cc(C)c(Cc3ccc(C)cc3C(=O)O)cn2)c1 96173357 BDUIBTZQXWTVCC-UHFFFAOYSA-N 365.404 4.802 0 1 FJAF O=S1(=O)C2=C(O)C[C@H](c3ccccc3)CC2=Nc2ccc(Cl)cc21 100796237 YMOQMQBORYXSBF-GFCCVEGCSA-N 359.834 4.547 0 1 FJAF CCOP(=O)(OCC)[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1 103205003 KNFGCORLPMMOCO-GOSISDBHSA-N 365.341 4.520 0 1 FJAF Cc1cccc2nc(-n3c(-c4ccccc4)nc4ccccc4c3=O)sc12 103219091 BTTHOVURYNQDFQ-UHFFFAOYSA-N 369.449 4.971 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3cc(C)nc(C)c3)cc2)c1 204073301 WBQCULFFYOARKU-QGZVFWFLSA-N 360.457 4.865 0 1 FJAF O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CCCCc2ncsc21 220887094 UKDJFJRKJZQHKN-GFCCVEGCSA-N 355.290 4.576 0 1 FJAF Cc1cccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959047 IGJYBGAQXAAXMF-AREMUKBSSA-N 360.482 4.910 0 1 FJAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc(Cl)c(F)cc3[nH]2)c[nH]1 587061676 XKDUJXDBUJDRHH-UHFFFAOYSA-N 374.206 4.545 0 1 FJAF CSc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082547 RTWWDYQEVXRQIE-UHFFFAOYSA-N 370.865 4.838 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(Br)c2[nH]1 587148436 ABKMDKCYPPVVSS-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF C[C@@H]1c2nc3cccc4c3c(c2C[C@@H](C(=O)O)C1(C)C)-c1ccccc1C4=O 587207313 RJAQHPIZJKSJAL-PXAZEXFGSA-N 371.436 4.833 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(O)c(C(C)C)c1)(C(C)C)O2 587404435 QFQMVKMNRMLUGL-JOCHJYFZSA-N 353.462 4.923 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1csc(-c4cccc(C)c4)n1)[C@@H](C2)C3=O 587452659 SKEWECKHYFKCTO-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3[nH]nc(Cl)c3c1)CC2=O 587461901 NYAFYKQHMGFDPQ-KRWDZBQOSA-N 356.809 4.581 0 1 FJAF O=C1C[C@H](c2ccccc2CN2CCCC2)Oc2c1ccc1c2CCCC1 587513633 KIKGXKDMYYMAOT-HSZRJFAPSA-N 361.485 4.868 0 1 FJAF CCN(CC)c1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535150 IPBGWSYJWNNLCF-KRWDZBQOSA-N 356.491 4.575 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1 587589564 YFFJBSFNEBNIAO-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2[C@@H]2CCC[C@H]12 587601383 DAGUIFXYYOSUSH-QBORORABSA-N 362.425 4.549 0 1 FJAF CC1(C)[C@@H]2C[C@H]1CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604237 RROAJGKSXODTCD-DDJSQEQTSA-N 350.414 4.549 0 1 FJAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587625960 AIVLHHIDTSLVLU-UHFFFAOYSA-N 370.836 4.867 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)c(F)c2)N1 587713783 CYWMAVJWDPSEQQ-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2ccn3C)N1 587759680 VAIVUZNWJLDVBW-NSPYISDASA-N 373.269 4.704 0 1 FJAF Clc1ncnc2[nH]c(/C=C/c3ccc(OCc4ccccc4)cc3)nc12 587783439 BIIGACGVJOJPGQ-DHZHZOJOSA-N 362.820 4.756 0 1 FJAF Cc1cccc(OC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587803907 YHGGLEXTCIPAPF-KPZWWZAWSA-N 364.258 4.551 0 1 FJAF CCc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815893 QZUIDYUPBPBKMR-CWTRNNRKSA-N 362.286 4.948 0 1 FJAF Cc1cc(O)cc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587833715 PARHBNXPGNPOMT-ADLMAVQZSA-N 364.258 4.534 0 1 FJAF CC(C)(C)OC(=O)NCCCc1nc(-c2cccc(Cl)c2)cs1 587920405 JXPOXENWJPGOGN-UHFFFAOYSA-N 352.887 4.921 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(OCc3ccncc3)cc1)N1CCC[C@@H]1C2 963101355 REUGGFAZKSVRAR-YKSBVNFPSA-N 374.459 4.910 0 1 FJAF Cc1cnc([C@H](CC(=O)O)c2cc(Cl)cc(-c3ccncc3)c2)s1 1772616335 PXNULZJKNKVOLL-MRXNPFEDSA-N 358.850 4.774 0 1 FJAF COc1ccc2c(c1C=CC(C)(C)OC)O[C@H](c1ccccc1)CC2=O 2356562530 VGCABPVIACQUCY-FQEVSTJZSA-N 352.430 4.840 0 1 FJAF CCCC(=O)c1cnc2c(CO)cccc2c1Nc1ccc(F)cc1C 13742257 JXNKXDVVJNLNQJ-UHFFFAOYSA-N 352.409 4.901 0 1 FJAF O=C1c2ccccc2CC12CCN(CCc1cccc3ccccc13)CC2 26736604 LXIPAAJKLDMQAA-UHFFFAOYSA-N 355.481 4.904 0 1 FJAF O=C(O)CCc1ccc2oc(Nc3cccc(Cl)c3Cl)nc2c1 40403912 QFRCTUPJOSAONR-UHFFFAOYSA-N 351.189 4.895 0 1 FJAF Fc1ccc(CO[C@@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1 40564124 NHQIJMCHPLEILJ-FQEVSTJZSA-N 358.844 4.894 0 1 FJAF Clc1ccc(CNCCNc2nc3ccccc3s2)c(Cl)c1 84632357 PHJNRRONTFAUHH-UHFFFAOYSA-N 352.290 4.805 0 1 FJAF Cc1ccc(CN(C(=O)OC2C[C@@H]3CC[C@@H](C2)N3C)c2ccccc2)s1 101152226 FIYZCZVBIXLYNG-ROUUACIJSA-N 370.518 4.825 0 1 FJAF O=c1[nH]c(O)c(-c2cc(Cl)ccc2SCc2ccc(Cl)cc2)[nH]1 169712837 NUVMBGUAJRRXST-UHFFFAOYSA-N 367.257 4.675 0 1 FJAF Cc1c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905658 XXYVJTILPPGTLA-SFHVURJKSA-N 372.424 4.732 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1cccc(F)c1 586988323 JOHZNJIHJMIOGX-MRXNPFEDSA-N 367.379 4.979 0 1 FJAF Fc1c(Br)ccc2nc(CSCc3ccsc3)[nH]c12 587027569 SASLQBJMDUWXDK-UHFFFAOYSA-N 357.273 4.959 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587169928 FXMYHDRPIZCABZ-VIFPVBQESA-N 366.364 4.919 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 587170225 LTNVXCBDWQXCFX-SECBINFHSA-N 366.259 4.755 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCCO4)nc3cccc1c23 587209957 YJVWQVUVSURBHW-UHFFFAOYSA-N 365.388 4.884 0 1 FJAF CC(C)Oc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br 587251559 IUGAJPCCCNZSPH-VMPITWQZSA-N 372.266 4.865 0 1 FJAF C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378425 VAIVXRCBPXLGJD-AZUAARDMSA-N 354.402 4.867 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)c(Cl)cc1F)[C@@H](C2)C3=O 587422555 FGBWLEFBKSESGY-VOJFVSQTSA-N 367.203 4.804 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC)cc1Cl)[C@@H](C2)C3=O 587453317 ROHWHGUGXIDJLQ-IFXJQAMLSA-N 360.862 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C3CC3)nn1CCC)CC2=O 587475709 OCHOSNQSTMKCTQ-HXUWFJFHSA-N 354.450 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(OCC)c1)CC2=O 587476302 BBZBHTPTIVBBCV-FQEVSTJZSA-N 370.445 4.849 0 1 FJAF COc1ccc([C@@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525622 QTPLMJFBAUOVEV-SZNDQCEHSA-N 366.457 4.720 0 1 FJAF C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549968 ULWSCSVLLQCKEE-RXVVDRJESA-N 366.800 4.923 0 1 FJAF Cc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569288 PVENIOQLDPASHT-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF CC(C)=CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603853 RWMGTUZRXPICSK-UGKGYDQZSA-N 350.414 4.859 0 1 FJAF Cc1c(F)cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587723960 ZZXODGZXLXZPBK-XLFHBGCDSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2Cl)N1 587847805 YLIDLFQGVGSPPQ-UHLUBPPHSA-N 360.679 4.927 0 1 FJAF O=C(CCc1ccccc1)c1nc2cc(OCc3ccccc3)ccc2[nH]1 587953546 LWNWMMNYRGLZMV-UHFFFAOYSA-N 356.425 4.957 0 1 FJAF O=C(O)c1cccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)c1 653768342 FIBVQRKBMBPOHP-UHFFFAOYSA-N 374.352 4.600 0 1 FJAF COc1ccc2c(c1)[C@](C)(c1cc3cc(F)ccc3[nH]1)N(C(C)C)CC2 962095242 YFYSWMHRXVLNJG-JOCHJYFZSA-N 352.453 4.846 0 1 FJAF COc1cccc2cc3c(nc12)[C@H](CCc1cnc2ccccc2c1)NCC3 963067125 NQDPLEFDCIYZMK-NRFANRHFSA-N 369.468 4.611 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCCc1c2[nH]c2cc(N)ccc12 963229672 OSXMTUJZLRITGS-UPCLLVRISA-N 359.517 4.987 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OCCOC)cc1 963244903 XQEORINJOVAHLX-WZONZLPQSA-N 353.506 4.632 0 1 FJAF COc1ccc2c(c1)CC[C@]1(CCCCN1C[C@@H](C)c1ccccc1)C2=O 1772572115 MLKPPNBOPFCBLM-HOYKHHGWSA-N 363.501 4.853 0 1 FJAF COc1ccc([C@@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1 1857577384 SLTOQPXDQWPUSH-CQSZACIVSA-N 352.430 4.874 0 1 FJAF CC=CC=CC=C1CO[C@](C)(OC)[C@H]1OCc1c(O)cccc1CCC 2356722306 CMGDDPIWFSGFBB-VXKWHMMOSA-N 358.478 4.681 0 1 FJAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)CO)CC[C@H]2C 2356855059 QYVRGBDFTMKFCS-MDZRGWNJSA-N 360.494 4.791 0 1 FJAF CCn1c(C(=O)N2CCC(Cc3ccccc3)CC2)cc2sccc21 4079494 HMTULJMZKZJJNA-UHFFFAOYSA-N 352.503 4.818 0 3 FJAF COc1ccc([C@H](OC(C)=O)c2ccc3ccccc3c2)c(OC)c1OC 28894488 WBXRDCCQRXCZNY-HXUWFJFHSA-N 366.413 4.518 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(COC(=O)CC(=O)O)CCC[C@@]21C 32090331 CTEBYFKLDQEMJB-PTUXOGIPSA-N 372.505 4.838 0 1 FJAF biogenic S=c1n(CN2CCCC2)nc(-c2cccc(Cl)c2)n1-c1ccccc1 66111861 SQXVHNGSPGDESL-UHFFFAOYSA-N 370.909 4.777 0 1 FJAF COc1ccc(Oc2c(Cl)cnn([C@H](C)c3ccccc3C)c2=O)cc1 73335277 OJXKJBYYFCOCNO-CQSZACIVSA-N 370.836 4.615 0 1 FJAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@H](C)CC 82180057 BMRPHAYQGFGKOI-QGZVFWFLSA-N 365.525 4.870 0 1 FJAF Fc1ccc2c(c1)sc1nc(-c3ccccc3)c(CN3CCCC3)n12 95555828 CJUHIFJEEFWCNO-UHFFFAOYSA-N 351.450 4.951 0 1 FJAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C\c3ccc(Cl)cc3)[C@@H]2CC1 96939113 YSEYPPGCFAMJBT-MGTCYMKMSA-N 358.865 4.536 0 1 FJAF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103175746 QZASOOBVESZUFR-SFHVURJKSA-N 372.902 4.956 0 1 FJAF Oc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1 139411400 QIGKNXDHNHBVHF-AATRIKPKSA-N 370.040 4.793 0 1 FJAF CNCCN1CCC(c2ccc3[nH]c(-c4ccccc4C)c(C)c3c2)CC1 202423630 OTZZRWQLNRNIOU-UHFFFAOYSA-N 361.533 4.851 0 1 FJAF COC(/C=C/C(=O)O)=C/C(C)=C/[C@@H]1CCCc2oc3ccc(O)cc3c21 238789048 LWPQRRAIIWETLD-NNNGXDHXSA-N 354.402 4.676 0 1 FJAF Cc1ccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN(C)C)c2c1 299867566 QHZOFEFMRVFNEM-YRNVUSSQSA-N 366.896 4.736 0 1 FJAF O=C1c2ccccc2-c2cc(CCc3ccsc3)nc3ccc(O)c1c23 586992899 AFBRUHPQEBYRNZ-UHFFFAOYSA-N 357.434 4.999 0 1 FJAF N=C(N)c1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2c1 587048547 CGNHVAVWVNIVNR-UHFFFAOYSA-N 374.831 4.647 0 1 FJAF CC(C)[C@@H](c1nc2cc(F)c(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587198011 RHMGYDBLUOHGPJ-SFHVURJKSA-N 373.403 4.807 0 1 FJAF CCc1ccccc1NC(=O)c1nc2cc(OCc3ccccc3)ccc2[nH]1 587241609 YZWVKDQACMMOOA-UHFFFAOYSA-N 371.440 4.957 0 1 FJAF COc1cccc(-c2cc([C@H]3CCOC3=O)nc3c2oc2ccccc23)c1 587366382 OUIVSFPZODFQIR-OAHLLOKOSA-N 359.381 4.687 0 1 FJAF CCCOc1cc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC 587480387 JILKLAAUIIQBLP-HXUWFJFHSA-N 370.445 4.849 0 1 FJAF O=C1CC2(CCN(Cc3cccs3)CC2)Oc2c1ccc1c2CCCC1 587531828 MNZWXTCWSVKBMF-UHFFFAOYSA-N 367.514 4.627 0 1 FJAF Cc1cc(=O)oc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 587532899 QTKHLGJYAWCQDN-HXUWFJFHSA-N 360.409 4.687 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1F 587556231 WKBNVXVEDUCCTG-XLIONFOSSA-N 370.763 4.888 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587602045 IJDMQLKVRDSKQK-REWPJTCUSA-N 360.409 4.886 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587826950 HELCEMFDBBIATD-BMLIUANNSA-N 352.247 4.596 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C(F)(F)F)cs1 587871037 NYFSJKUUEXMAGU-UHFFFAOYSA-N 357.332 4.552 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3cc(Br)cc4n[nH]cc34)n1)O2 587871737 AQZZVMUVCLUFLE-UHFFFAOYSA-N 371.169 4.423 0 1 FJAF COc1ccc2c(c1)[C@@](CCCCCCC(=O)O)(C1CC1)N(C(C)C)CC2 962091165 NCPXCCAUEVXWCW-HSZRJFAPSA-N 373.537 4.992 0 1 FJAF CC(C)n1ccc2c(C(=O)Nc3cccnc3)cc(-c3cccs3)nc21 1772652067 ZWXAMPBKUMUQPF-UHFFFAOYSA-N 362.458 4.993 0 1 FJAF CC(=O)N[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 2356639569 VCWPWIIAWRHOAN-ZFGRRSGASA-N 361.570 4.531 0 1 FJAF CSc1cc(-c2ccc(F)cc2)c(-c2ccc(S(C)(=O)=O)cc2)[nH]1 13743567 AVTAZMNGLZBENC-UHFFFAOYSA-N 361.463 4.613 0 1 FJAF CC(=O)Nc1cccc2c1nc(Nc1c(C)cccc1Cl)c1cncn12 26574067 JSHKMYZBAPNJGM-UHFFFAOYSA-N 365.824 4.546 0 1 FJAF C[n+]1ccc(C(=O)OCCCCCCCCn2ccc3ccccc32)cc1 27091491 DZOKGCHGTBZNHO-UHFFFAOYSA-N 365.497 4.663 0 1 FJAF C[C@H]1CCC[C@H](C)N1CCCC(C(N)=O)(c1ccccc1)c1ccccc1 29555043 JNOQHEQRKNYCJI-PMACEKPBSA-N 364.533 4.501 0 1 FJAF CCN(c1ccc(C(C)C)c(OCC2CC2)c1)c1ccc(C(=O)O)cn1 66111583 HXRVJXWCLPGNFN-UHFFFAOYSA-N 354.450 4.850 0 1 FJAF O=C1CN(Cc2ccccc2)CC[C@H]1C(c1ccccc1)c1ccccc1 72105523 QMEFUQVJVUDYLI-HSZRJFAPSA-N 355.481 4.910 0 1 FJAF c1ccc(-c2ccc(Oc3cc(NCc4cccnc4)ncn3)cc2)cc1 82068310 WDLRMRIHCNWBHV-UHFFFAOYSA-N 354.413 4.943 0 1 FJAF CCc1ccc(CCNc2cc(-c3cc(F)ccc3OC)ncn2)cc1 82162267 QXTIQOVBYZQDLM-UHFFFAOYSA-N 351.425 4.508 0 1 FJAF O=C1Nc2ccccc2/C1=C(\c1ccc(F)cc1)c1nc2ccccc2[nH]1 84687674 AFVMIZORDVMCAB-VXPUYCOJSA-N 355.372 4.613 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1 586881643 YAZIGISSBLJFBB-ACCUITESSA-N 368.392 4.663 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(CCO)cc3[nH]2)c1 586882183 LZDZZMRFNRGMBK-UHFFFAOYSA-N 370.452 4.613 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4c(Br)ccnc4[nH]3)c2)cc1 586899428 WNNCBXUSAGDVIA-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Fc1c(Cl)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1F 587017679 PDCYXSMGCFUMLG-UHFFFAOYSA-N 351.765 4.802 0 1 FJAF Brc1ccnc2nc(-c3ccc(-c4nccs4)s3)[nH]c12 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C[C@]1(c2ccc3[nH]ccc3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588023 IZFPDEGAOIUZPE-NFBKMPQASA-N 371.392 4.751 0 1 FJAF CC1=CC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601799 HTIUXIRIAFVNKX-OHEPNIRZSA-N 350.414 4.859 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2ccccc2n1 587661998 VWUBRLSVYRDJEY-UHFFFAOYSA-N 367.383 4.740 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccccc23)N1 587808492 ZLPWYUTXQXTJCS-JEOXALJRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2)N1 587809428 AJHVMLQVPYQEKU-BFUOFWGJSA-N 362.286 4.970 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2S)N1 587841737 CHDMQSDNSLRWON-DYZYQPBXSA-N 366.299 4.675 0 1 FJAF Cc1csc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587844943 CQKHCSCFNQIOMJ-QFYYESIMSA-N 354.288 4.756 0 1 FJAF O=C(COc1cc(=O)oc2ccccc12)c1ccc(-c2ccccc2)cc1 653811113 MIELSCRZDDJLNC-UHFFFAOYSA-N 356.377 4.722 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1ccccc1-c1ccncc1)N(C)[C@H](C)C2 962625834 JZODQMDWIBIHDM-GYCJOSAFSA-N 374.484 4.732 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc(C(C)=O)cc(C(C)=O)c2)N1 962958838 VBNGLSAHPBXHRA-CYFREDJKSA-N 374.484 4.761 0 1 FJAF O=S(=O)(Oc1ccc(-c2ccc3occc3c2)cc1)c1ccccc1 1857604390 VCQHLGCTOAQLRE-UHFFFAOYSA-N 350.395 4.868 0 1 FJAF CN=c1cc(C)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1 1857746725 NTTWUGRHYUEHHX-UHFFFAOYSA-N 360.244 4.566 0 1 FJAF FC(F)(F)c1cccc(-c2nc3c(NCc4ccncc4)nccc3[nH]2)c1 82082186 PLLAPLIMUIJMOC-UHFFFAOYSA-N 369.350 4.651 0 3 FJAF CCCC[C@H]1[C@H]2C[C@H](OC(=O)NCc3ccccc3)[C@@H](C2)[C@H]2CCCCN12 263590711 KEIGSSMHCAZNQG-CTWRKMMKSA-N 370.537 4.735 0 3 FJAF COc1cccc(NC(=O)O[C@H](CCN(C)C)c2ccc(Cl)cc2)c1 13684815 DVOLCAAFHLSTNK-GOSISDBHSA-N 362.857 4.590 0 1 FJAF Fc1ccc(-c2ncoc2-c2ccc3nnc(Cc4ccccc4)n3c2)cc1 14961323 RASWNQHJQMMLNH-UHFFFAOYSA-N 370.387 4.781 0 1 FJAF COc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 28826825 GWCHSYZYZXTAEP-UHFFFAOYSA-N 370.451 4.831 0 1 FJAF COc1ccc(-c2nc3n(c2-c2ccc(OC)cc2)CCCS3)cc1 40632136 CCCFNWGCJJTKMX-UHFFFAOYSA-N 352.459 4.730 0 1 FJAF Cc1cccc([C@@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1 49036130 WUUOFVCLZPFLPB-LJQANCHMSA-N 360.486 4.605 0 1 FJAF Cn1cc(-c2ccc(CN3C(=O)c4cccc5cccc3c45)c(F)c2)cn1 95597826 AONGHOOBYOHPOU-UHFFFAOYSA-N 357.388 4.540 0 1 FJAF COc1cccc2c1[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100722175 YZYSBQZNEZZXLK-NZQKXSOJSA-N 370.428 4.593 0 1 FJAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2c2nc(-c4ccccc4)no2)N3C)cc1 100751713 WYJIEKRDCVWTRP-JSXRDJHFSA-N 359.473 4.779 0 1 FJAF O=C1CCCCCCCCCC[C@@H]1S(=O)(=O)Nc1ccc(Cl)cc1 103206510 ZXFUKUADXLDZPJ-SFHVURJKSA-N 371.930 4.934 0 1 FJAF CCc1cc(Oc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1 143608668 HCLCGWQIAMYHKR-UHFFFAOYSA-N 354.837 4.687 0 1 FJAF O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccc([N+](=O)[O-])cc3)nc2c1 144518806 HNZQAHBKTOPKDO-UHFFFAOYSA-N 371.352 4.570 0 1 FJAF [C-]#[N+]c1ccc(N[C@@H](c2nc(-c3ccccc3)no2)[C@@H](C)O)c(C)c1Cl 146545442 XDGFAZNTNAGXQD-SJKOYZFVSA-N 368.824 4.783 0 1 FJAF CCN(CC)c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1 205448455 RXSKMQGRFMZOIO-UHFFFAOYSA-N 361.401 4.587 0 1 FJAF CCOc1nn(-c2ccc(C3CC3)nn2)c(C)c1Oc1ccccc1Cl 473103933 NGMLGPJPKSVLOF-UHFFFAOYSA-N 370.840 4.693 0 1 FJAF CCOc1nn(-c2cccc(C(F)(F)F)n2)c(C)c1Cc1ccccc1 474604778 DVHHOGBYZMVNDC-UHFFFAOYSA-N 361.367 4.584 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(C)c(Cl)cc2[nH]1 586916070 JNPUMAATPJOHDS-VBKZILBWSA-N 354.837 4.741 0 1 FJAF Cc1cc2[nH]c(-c3sc4c(c3C)C(=O)N3CCC=C3N4)nc2cc1Cl 587029546 PVQPXIRRVNQTDG-UHFFFAOYSA-N 370.865 4.674 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587038643 ANHXBSOFXMUQMA-LBPRGKRZSA-N 373.400 4.564 0 1 FJAF Cn1ncc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc21 587103988 CZZOTJSXEIJTKQ-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF COc1cccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c12 587196516 YPRPRWCUMUJIGC-UHFFFAOYSA-N 367.449 4.918 0 1 FJAF CC[C@@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 587211525 SKPGHTVXDTXTGR-FQEVSTJZSA-N 356.425 4.991 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(Br)c1)O2 587378304 UESNJEPENDBCKD-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF COc1ccc([C@@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)cc1F 587386654 VXZXAGWENUZPFI-AOMKIAJQSA-N 369.436 4.787 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(F)c3F)o1)O2 587386924 XWSHSODSBRAPKC-SFHVURJKSA-N 355.340 4.822 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3cccnc3)C1)CC2=O 587486569 CUDYMZWLJGLSPU-OYHNWAKOSA-N 351.446 4.802 0 1 FJAF Cc1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587566765 AZGXLWOHIYUWEM-SIKLNZKXSA-N 364.372 4.717 0 1 FJAF Cc1cc(F)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587573374 WDYRXMMZHFUDEE-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2)N1 587693394 DOXUWVGLIHVKDR-XXFAHNHDSA-N 354.650 4.865 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@@H]1C 587822126 ISWNYMGSJQJHJT-NDTJYLHMSA-N 352.291 4.940 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSCc1ccccc1 587873106 VIKIJHNBZCVYCU-UHFFFAOYSA-N 370.449 4.662 0 1 FJAF COc1ccc2c(c1)[C@H](c1cnc(-c3cccs3)nc1)N(C(C)C)CC2 962085787 AYKOWDDPDLSNNH-FQEVSTJZSA-N 365.502 4.570 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2-c2ccncc2)N1 962955595 MTDNIRAFYHZLHE-AOMKIAJQSA-N 354.457 4.639 0 1 FJAF CSc1ccc2cc([C@@H]3NCCc4c(C)ccnc43)c(Cl)nc2c1 963068970 LRVIVONYDPHWLD-SFHVURJKSA-N 355.894 4.549 0 1 FJAF Cc1cccc(N2CCC([C@H]3c4ccc(F)cc4C[C@H]4CCCN34)CC2)n1 963110201 QSGXKUDTMRIBRZ-OFNKIYASSA-N 365.496 4.507 0 1 FJAF O=C(c1ccccc1)n1ccc2c3c(=O)cc(-c4ccccc4)[nH]c3ccc21 1772619432 OMPRXMZCSMUEJQ-UHFFFAOYSA-N 364.404 4.838 0 1 FJAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 2356331287 YQBLLNPEOGXFFB-KTOWRORUSA-N 358.434 4.547 0 1 FJAF COC[C@]12CC[C@H](C)[C@@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)OC 2356578467 SSKGFFRRTKSHDY-MQYXYMALSA-N 360.494 4.791 0 1 FJAF CCCc1nc(-c2ccc(-c3ccc(CC[C@@](C)(N)CO)cc3)cc2)co1 2382229925 PBHMBTUZOAFCBC-HSZRJFAPSA-N 364.489 4.603 0 1 FJAF Fc1ccc([C@H](Oc2ccc(C(F)(F)F)cc2)[C@@H]2CCCNC2)cc1 13530721 GGOSQACPTXPREV-KDOFPFPSSA-N 353.359 4.964 0 1 FJAF C[C@@H](Oc1cccc(Sc2ccc3ccc(Cl)cc3n2)c1)C(=O)O 27298755 GUUMKXIQVLYUEY-LLVKDONJSA-N 359.834 4.891 0 1 FJAF COc1ccc([C@@H]2CC[C@H](OCCCCCc3cccnc3)O2)cc1OC 29309101 MFTIEUGKMLRBCW-SIKLNZKXSA-N 371.477 4.706 0 1 FJAF CC(C)(C)c1cc(C(=O)Nc2ccc(C(=N)N)cc2)c(O)c(C(C)(C)C)c1 45194330 GLNKYEQSHODVMY-UHFFFAOYSA-N 367.493 4.524 0 1 FJAF N=C(Nc1ccc2c(ccn2CCN2CCCCC2)c1)c1cccs1 72105268 IRARCVVZRAZRFW-UHFFFAOYSA-N 352.507 4.626 0 1 FJAF CN(C)CCNc1nc(Oc2cccc3ccccc23)c2sccc2n1 72180755 KEZVDMMXQXBIFZ-UHFFFAOYSA-N 364.474 4.610 0 1 FJAF O=C(c1ccc(Oc2ccccc2)c(O)c1)c1nc2ccc(O)cc2s1 95555292 SQIHYDCREFLLIR-UHFFFAOYSA-N 363.394 4.731 0 1 FJAF Cc1ccsc1CN(C(=O)O[C@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 101152206 REFOKOYWCWAHCW-REPLKXPHSA-N 370.518 4.825 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2cc[nH]c2c1 142594594 HLKLLLHUYUFOFH-LLVKDONJSA-N 363.244 4.558 0 1 FJAF COC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 253637656 CBNNPWOODQAMIN-WSXIDTBXSA-N 371.527 4.516 0 1 FJAF Clc1ccc(C2(c3nc4ccnc(Br)c4[nH]3)CCC2)cc1 587074632 BSYATODBWIRNSF-UHFFFAOYSA-N 362.658 4.844 0 1 FJAF Cc1ccc2c(ccc3nc(CCCC(=O)c4ccc(Cl)cn4)[nH]c32)n1 587081701 UEVZRFBUKWNKKK-UHFFFAOYSA-N 364.836 4.674 0 1 FJAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(-c3cnc(Cl)nc3)nc2c1 587085835 KFEWUOWXLUDBPR-UHFFFAOYSA-N 366.652 4.711 0 1 FJAF CCOC(=O)Cc1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131525 MCIVGAOGXQWGSY-UHFFFAOYSA-N 370.399 4.550 0 1 FJAF Cc1cccc2nc(/C=C/c3cccc(I)c3)[nH]c12 587184794 WMISODWFEUTWEL-CMDGGOBGSA-N 360.198 4.646 0 1 FJAF CCC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361103 XKEYOKFICXHAFR-ZNLUXHQJSA-N 370.420 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2Oc2cccnc21 587491479 SUDSUYRYIVHPIF-HSZRJFAPSA-N 373.408 4.754 0 1 FJAF C[C@]1(C(F)(F)[C@@H](F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499727 MKSFHMIDADAGCL-HUUCEWRRSA-N 366.301 4.825 0 1 FJAF CN(C)c1cc(F)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506424 SKHBJHMZATYBKE-QFIPXVFZSA-N 353.437 4.651 0 1 FJAF CCn1cc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)c(C)n1 587624110 CXXVRHWCJDPXFL-UHFFFAOYSA-N 351.784 4.823 0 1 FJAF Fc1cccc2[nH]c(-c3cc4ccccc4o3)c(CN3CCOCC3)c12 587636655 BMWYWRGXYWCWEE-UHFFFAOYSA-N 350.393 4.552 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587721126 OVIBUZKPLUCBJV-RBHXEPJQSA-N 370.212 4.798 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@@](C2CCCCC2)(C2CCC2)N1)C(F)(F)F 962764331 LQQLETYXICXORA-AZUAARDMSA-N 365.439 4.908 0 1 FJAF Oc1ccc2c(c1)[C@](CCc1ccc(Br)cc1)(C1CC1)NCC2 963354972 ZVOYYISCZZERKB-FQEVSTJZSA-N 372.306 4.539 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@](OC)(CC[C@H](C)[C@@]2(C)CCc2ccoc2)C1 2356430168 HTOGWGIDXDORHJ-VHHKXPHXSA-N 360.494 4.933 0 1 FJAF CC[C@H]1Cc2cc(OC(C)=O)ccc2-c2cc3cc(OC(C)=O)ccc3n21 596987 WGGAULMDUIDUGU-KRWDZBQOSA-N 363.413 4.666 0 1 FJAF c1cc(Oc2ccc(-n3ccnc3)cc2)nc(Oc2ccc3c(c2)OCO3)c1 603055 QRKJIRHWSXRMDL-UHFFFAOYSA-N 373.368 4.581 0 1 FJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](CCC(=O)Nc2ccccc2)C1 13579491 HSRZEKYTEIXXKE-FXAWDEMLSA-N 356.897 4.794 0 1 FJAF CCCC(=O)c1c(O)c(CC=C(C)C)c(O)c2c(CCC)cc(=O)oc12 14586076 KXLBWJRELYDBOS-UHFFFAOYSA-N 358.434 4.648 0 1 FJAF endogenous,in-man O=C(O)c1cc(C(=O)O)c2cc(/C=C/c3cccc4ccccc34)ccc2n1 26378281 ZELWZCAEMFLMDS-CSKARUKUSA-N 369.376 4.955 0 1 FJAF C/C(=N\N(C)C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27431125 NFCLKPWCVFMOEG-KOUJRZCSSA-N 356.554 4.784 0 1 FJAF CCCCN1CCc2c(c(-c3ccc(F)cc3)nn2Cc2ccccc2)C1 28089440 WGGHKYQKGRTTSY-UHFFFAOYSA-N 363.480 4.896 0 1 FJAF COc1c(CN(C(=O)C2CC2)c2ccccc2)ccc2c1OC(C)(C)C=C2 28525816 AYBGMHSHUIBQAY-UHFFFAOYSA-N 363.457 4.823 0 1 FJAF Cc1ccc(CC(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1 28712403 CPKDBPWSSSHBRP-UHFFFAOYSA-N 356.425 4.908 0 1 FJAF CO/C=C(/C(=O)OC)c1ccccc1CSc1nc2ccccc2s1 35328642 NCEIEWKQCZHKNX-RVDMUPIBSA-N 371.483 4.749 0 1 FJAF CC[C@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)C[C@H]1C 58487245 MFXDDNWENRPAMQ-DLBZAZTESA-N 371.550 4.557 0 1 FJAF Cc1ccc(CCNc2ncc(-c3ncc(C)o3)c(-c3ccco3)n2)cc1 82166400 NSOCGUNQNBGIQU-UHFFFAOYSA-N 360.417 4.663 0 1 FJAF O=C(c1nc(-c2ccccc2Cl)c2ccccc2n1)N1CCCCC1 84689939 CQPUFANZUQNBIN-UHFFFAOYSA-N 351.837 4.576 0 1 FJAF C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccc([C@@H](C)CC)cc3)c2N1 102815228 HTBKKXHYVBAOLT-NSHDSACASA-N 358.392 4.694 0 1 FJAF CC(C)(C)c1ncc(C(=O)Nc2ccc(C(F)(F)F)cc2)nc1Cl 103168293 YGAYLVGAIOIANM-UHFFFAOYSA-N 357.763 4.699 0 1 FJAF CCCCSc1nc2n(n1)[C@@H](c1cccs1)C1=C(O)CCCC1=N2 103894341 DOVNCABOOABRKH-HNNXBMFYSA-N 360.508 4.903 0 1 FJAF COc1ccc(-c2ccc(Sc3ccccc3CC(=O)NO)cc2)cc1 113552607 XZUJPJWGKJJUCO-UHFFFAOYSA-N 365.454 4.561 0 1 FJAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)c1cccs1 144708295 HFYNURUKGMHLKD-GOSISDBHSA-N 360.356 4.758 0 1 FJAF Oc1cccc(CCCCc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 586896072 IVKMHGJKHKSYJP-UHFFFAOYSA-N 352.331 4.992 0 1 FJAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(F)c4[nH]3)ccc12 586917451 CCBVYCXRUSNQSO-UHFFFAOYSA-N 366.392 4.730 0 1 FJAF COc1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)ccc1Br 586977838 UEAFRDKGZWYPAL-HWKANZROSA-N 364.630 4.553 0 1 FJAF COc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991372 JTXHSLZPNYTVTC-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF CCOC(=O)c1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587024121 VZXQAFRMXBOASC-UHFFFAOYSA-N 355.444 4.592 0 1 FJAF FC(F)Oc1ccc(-c2nc3c(Cl)ncc(Br)c3[nH]2)cc1 587129998 BUGNPWCOMYYQNH-UHFFFAOYSA-N 374.572 4.642 0 1 FJAF COc1cc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2cc1Cl 587135858 GRYUCKVBLZSQAE-UHFFFAOYSA-N 363.820 4.791 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cnc(Cl)cc3[nH]2)cc1 587158123 KCRXVZICDSCSEN-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c4ccccc4c1O)[C@@H](C2)C3=O 587420848 JKAZWQJDGRDUBE-QKKBWIMNSA-N 366.800 4.696 0 1 FJAF COc1ccc(C2CCC3(CC2)Oc2cc(OC)cc4c2C(=O)[C@H]3C4)cc1 587441846 IYMHQZGXTZDKKG-HVWVKJRRSA-N 364.441 4.548 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1-c1cccs1)CC2=O 587494543 MFBOWTTVEXIHDM-QGZVFWFLSA-N 368.458 4.513 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2SC[C@H]1C 587498184 ZIYXZLLWBGUBRK-ASSNKEHSSA-N 354.471 4.947 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccoc23)N1 587831141 GVAPVJCHQWGWAX-DYZYQPBXSA-N 360.226 4.958 0 1 FJAF COc1ccc(-c2cccc(-c3nc4c(C)nccc4[nH]3)c2C)c(OC)c1 587929703 OXBDZROUILVHMA-UHFFFAOYSA-N 359.429 4.926 0 1 FJAF Cn1c(Cl)nc(Cl)c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962656291 AGZWFIJOFXDDHX-MRXNPFEDSA-N 358.272 4.629 0 1 FJAF CC(=O)Nc1cncc(-c2cc(C(=O)c3c(Cl)cccc3Cl)c[nH]2)c1 1857616564 BLUGZEWNYPNWEF-UHFFFAOYSA-N 374.227 4.573 0 1 FJAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(Cl)cc1)O2 1857767509 HPGFOSNGRXTVIA-KRWDZBQOSA-N 358.821 4.966 0 1 FJAF O=C(O)c1ccccc1Nc1cccc(Cl)c1-c1ccc2nonc2c1 1911581363 SSJWKWGQPFJSSE-UHFFFAOYSA-N 365.776 4.985 0 1 FJAF CC1=C(CCCCCCCCCCCCCC[C@H](C)O)C(=O)NC1=O 2356284227 SLZVZYBXARPMKC-KRWDZBQOSA-N 351.531 4.802 0 1 FJAF COc1ccc2c(c1)[C@@H](n1cccc1)C(=O)N2Cc1ccc(C(C)C)cc1 206026614 JSAUOSIYIPAUHO-JOCHJYFZSA-N 360.457 4.756 0 3 FJAF CC1=NCCN1CCO[C@@H](c1ccccc1)c1ccc(Cl)cc1Cl 5127264 KAICPRHSALATTA-IBGZPJMESA-N 363.288 4.833 0 1 FJAF Fc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@H]2CCCN2)cc1 43059579 ZQQZKKTVLQYQNH-QGZVFWFLSA-N 374.419 4.981 0 1 FJAF C/C1=C/CC/C(C)=C/[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 64490903 XUVXBQLHPFQADG-RLAOZMLRSA-N 358.478 4.627 0 1 FJAF Cc1c([C@H](C)OC(=O)Nc2ccccc2)oc2nc(-c3cccs3)nn12 66258372 OXIMUVHHPPICNK-LBPRGKRZSA-N 368.418 4.669 0 1 FJAF CCCC[C@@H](COc1ccc(C(=O)OCC)cc1)Oc1ccc(C)nc1 90427240 FQDZBHRNDAJMJU-FQEVSTJZSA-N 357.450 4.583 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152200 FMMKJMIJNXFPMS-BCDXTJNWSA-N 356.491 4.517 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(C(C)(C)C)nc2[nH]1 587027673 ZUVMXFHWCXYKAV-UHFFFAOYSA-N 352.463 4.871 0 1 FJAF Oc1nc2cc3nc([C@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc2[nH]1 587050021 OAMWANKTYVQWKW-YUMQZZPRSA-N 359.216 4.723 0 1 FJAF COc1nccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095006 MBGDZBDEVIHHDC-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF N=c1[nH]c2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2o1 587103860 BTASVARRSQKPNE-UHFFFAOYSA-N 363.376 4.667 0 1 FJAF FC(F)(F)c1ccc2ncc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2c1 587113147 SBAXDCNUSYEJQN-UHFFFAOYSA-N 357.291 4.526 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587165277 OIUDNCGOKSRWTD-UHFFFAOYSA-N 352.390 4.884 0 1 FJAF CCCOc1cc2c(cc1[C@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 587400490 PYAUBBVHQUZKTH-OAQYLSRUSA-N 351.446 4.561 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC4CCCC4)cc1)[C@@H](C2)C3=O 587440205 BESZFWLUGRUMRN-PGRDOPGGSA-N 350.414 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1N1CCCCCC1)CC2=O 587474841 KKRUTYAFJXADLQ-GGAORHGYSA-N 371.521 4.867 0 1 FJAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@H](C)C2 587602273 HLPYGXZGCXNTKD-OECQAKIHSA-N 372.420 4.750 0 1 FJAF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1cc(F)c(F)cc1F 587629213 GBHFUWRNILIYQS-UHFFFAOYSA-N 371.717 4.760 0 1 FJAF CC(C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707866 XNGJNSMPKUWOPG-SDBXPKJASA-N 354.185 4.536 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cnccc23)N1 587776113 BCLZEABADVFINA-NSPYISDASA-N 371.253 4.760 0 1 FJAF COc1cc2c(cc1F)CC[C@]21c2ccsc2CCN1Cc1ccco1 962701034 CPPHRMUMVNFXHU-NRFANRHFSA-N 369.461 4.737 0 1 FJAF CN(CCCCN1C(=O)OC[C@H]1c1ccccc1)Cc1ccc(Cl)cc1 1772584946 IMCCNHBMGUOQCM-FQEVSTJZSA-N 372.896 4.746 0 1 FJAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(Cl)ccc3C)C2)cc1 1772587037 GHKPUXWXIXYMAM-MGPUTAFESA-N 372.896 4.503 0 1 FJAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@@H](C)C(C)C)cc1 774355 DKPUBQMGDVZYFG-ZDUSSCGKSA-N 370.474 4.853 0 1 FJAF CN(CCCc1c[nH]cn1)CC[C@H](c1ccc(Cl)cc1)c1ccccn1 13490251 YSBZGIJBIATWMA-HXUWFJFHSA-N 368.912 4.545 0 1 FJAF N=C(N)c1ccc2cc(CCc3ccccc3)cc(Br)c2c1 28366014 GTKRLIZEWRYTIQ-UHFFFAOYSA-N 353.263 4.672 0 1 FJAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(Cl)c(Cl)c1 43017533 KGKLEEPOANHZID-UHFFFAOYSA-N 372.302 4.587 0 1 FJAF Cc1ccccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1F 66259583 XZCPNRFCLBNHOY-BAOGCXAUSA-N 367.464 4.753 0 1 FJAF NCCCNCCCNC(CCC1CCCCC1)CCC1CCCCC1 139070417 BDPUADJOOCKUQA-UHFFFAOYSA-N 365.650 4.994 0 1 FJAF CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O 141153375 OXEAJAPLCUXMPI-UHFFFAOYSA-N 359.473 4.541 0 1 FJAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@H]4CCC(F)(F)C4)n3)cc12 146460910 CWXBQQXGEWNTLL-HIFRSBDPSA-N 372.419 4.599 0 1 FJAF COC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)OC 238742515 SSKGFFRRTKSHDY-ZKMOHVOUSA-N 360.494 4.791 0 1 FJAF CNC(=O)c1cccc2c(NCc3cccc(Cl)c3Cl)cc(C)nc12 473088380 ICPCGZSSMTZHTE-UHFFFAOYSA-N 374.271 4.822 0 1 FJAF CCOC(=O)[C@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586995040 HNBQUPQEKRKDFT-GOSISDBHSA-N 363.388 4.637 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c(C)s2)cc1 587011749 CFJBVVPCZGTLPI-UHFFFAOYSA-N 374.469 4.855 0 1 FJAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)ccc1Cl 587052531 DRWYKBWHSQEOGC-UHFFFAOYSA-N 366.751 4.679 0 1 FJAF Cc1cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2cc1Br 587083924 CPOSYBRIVQGSJZ-UHFFFAOYSA-N 362.658 4.762 0 1 FJAF CC(C)(C)c1cccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587174447 PNBDVUVWISRYFL-NRFANRHFSA-N 352.409 4.628 0 1 FJAF Fc1ccc2[nH]c(-c3nc4ccc(Br)nc4[nH]3)c(Cl)c2c1 587174802 SQACXIPJUMGJPH-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1C 587185204 ZFASFLVKVAXWNC-VQHVLOKHSA-N 374.225 4.955 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(F)(F)C(F)F)c1)O2 587383594 TUNLHUUTYLWGJG-OAHLLOKOSA-N 369.314 4.520 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sc(C)nc1-c1ccccc1)O2 587411026 AMKWDFLBESQSBZ-QGZVFWFLSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OC(F)(F)F)CC2=O 587464448 QMWFSRJNZZTMNA-QGZVFWFLSA-N 366.335 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3c(F)cccc31)CC2=O 587473287 ZNWCZZHFZWCTEC-FQEVSTJZSA-N 358.434 4.840 0 1 FJAF Cc1ccc([C@@]2(c3occc3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512588 ZDFICBTWEFOIRS-XMMPIXPASA-N 373.452 4.958 0 1 FJAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587518035 YZSHUBFDXNXSCA-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF Cc1cccc(C)c1OC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523737 PDRKQYWPTQLSLE-QHCPKHFHSA-N 350.458 4.985 0 1 FJAF O=C1C[C@@H](c2cnc(-c3cccs3)nc2)Oc2c1ccc1c2CCCC1 587530715 GYIPVQXNDLGUKM-SFHVURJKSA-N 362.454 4.790 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602292 HPXPKXVQKBWMLZ-QMXMUAKLSA-N 364.441 4.939 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1ccccc1-c1cccc(N)c12 962950661 HOIDANZWLUCETM-SGANQWHYSA-N 365.480 4.947 0 1 FJAF CCc1ccc(Cn2cc(/C=C3\SC(=O)NC3=O)c3ccccc32)cc1 1772596814 MYKFZJGEVOKMED-ODLFYWEKSA-N 362.454 4.576 0 1 FJAF Fc1ccc(-c2ccc3nc(/C=C/c4ccccc4)n4nnnc4c3c2)cc1 1911580596 RVWZGRSJKYYZDW-AWNIVKPZSA-N 367.387 4.649 0 1 FJAF CCCCc1ccc(C2=NN([P@](=O)(OC)c3ccccc3)CCC2)cc1 13557112 WKHCCEDBMYIAML-AREMUKBSSA-N 370.433 4.994 0 1 FJAF CC(C)c1ccc(-c2c(N)nnc3c4ccccc4n(CCN(C)C)c23)cc1 13580569 QXCFJVDWAKNVNJ-UHFFFAOYSA-N 373.504 4.519 0 1 FJAF CCOc1nc(C(Cl)(Cl)Cl)c(Cl)c(OC(C)=O)c1Cl 26020800 DWADAOFBPMSCQQ-UHFFFAOYSA-N 367.443 4.539 0 1 FJAF COc1ccc(OCc2ccccc2)c(/C=C2\SC(=S)N=C2O)c1 28368208 DGVSZUMGIFCHMZ-YBEGLDIGSA-N 357.456 4.603 0 1 FJAF CC[C@@]1(CCCCN2CCc3sccc3C2)C(=O)Nc2ccccc21 29053852 RNEXHGFWHNWMNQ-NRFANRHFSA-N 354.519 4.577 0 1 FJAF CS(=O)(=O)c1ccc(-c2nc3ccccc3c(N)c2-c2ccccc2)cc1 45356482 DQFDBTGRKSFVFQ-UHFFFAOYSA-N 374.465 4.555 0 1 FJAF O=C1Nc2ccccc2/C1=C(/c1nc2ccccc2[nH]1)c1ccc(F)cc1F 84738767 OLPOQVVGXISZPS-VXPUYCOJSA-N 373.362 4.752 0 1 FJAF CCCc1cc(O)n2nc(Cc3ccccc3)c(-c3ccc(OC)cc3)c2n1 103523576 MMWQETMXMDURGO-UHFFFAOYSA-N 373.456 4.654 0 1 FJAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2cccc(Cl)c2)O1 167450703 MOUUZZGJRFRCPW-NHCUHLMSSA-N 374.827 4.657 0 1 FJAF Cc1ccccc1[C@H](OC[C@H](O)CN1[C@H](C)CCC[C@H]1C)c1ccccc1 253634136 BWNMYDFFSCWUHU-QVHJCDIPSA-N 367.533 4.725 0 1 FJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 586882505 WJIZJRPDTSNGDP-UHFFFAOYSA-N 360.335 4.510 0 1 FJAF Cc1cc(Br)c2nc(-c3oc4c(c3C)[C@@H](O)CCC4)[nH]c2c1 586905564 UFJGJAKJDQMIHY-LBPRGKRZSA-N 361.239 4.572 0 1 FJAF COc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1C 586980468 RRBUHENFSCQYRL-UHFFFAOYSA-N 351.631 4.963 0 1 FJAF O=C1CCc2cc3nc(-c4cc(-n5cccc5)ccc4Cl)[nH]c3cc2N1 587052442 ACTJCIUHWQNYOF-UHFFFAOYSA-N 362.820 4.559 0 1 FJAF Fc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116047 LKLQWNFCCQYSQK-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(F)c2)c(F)c1 587149555 VAWAIOWLPQFMLU-UHFFFAOYSA-N 372.762 4.579 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 587154271 BHIOJQJVMUOYLN-AWEZNQCLSA-N 362.788 4.672 0 1 FJAF O=C(Nc1cccc(-c2nc3cc(Cl)ncc3[nH]2)c1)c1ccc(F)cc1 587164218 YCMRBBZWUMJZGA-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF CC(C)(C)c1ccc2nc([C@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173261 AUAFXHPGZRZFNQ-NRFANRHFSA-N 352.409 4.628 0 1 FJAF Cc1nc(N(C)C)ncc1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587196221 UNKOHEFABLPVBH-UHFFFAOYSA-N 361.474 4.546 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccsc32)[C@@H]1c1ccc(F)cc1 587370957 CVFOFDKOFQYSDP-WIYYLYMNSA-N 366.413 4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccc(F)cc3)cs1)O2 587384739 OBGIERFMRYGIHN-KRWDZBQOSA-N 354.406 4.546 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@@H]1Cn1ccnc1)CC2=O 587471180 OLMJJPUKXCIHDJ-OPAMFIHVSA-N 368.477 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccsc1)CC2=O 587493374 FLMSSWYRSUKFBQ-QGFLDLQWSA-N 371.502 4.732 0 1 FJAF Cc1oc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587496132 HDUGLCCCUPGFPK-KRWDZBQOSA-N 361.235 4.936 0 1 FJAF O=C1C[C@H](c2cnc(-c3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587514839 KIXGTSCMBBEOOF-OAQYLSRUSA-N 356.425 4.729 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715655 IJHVPXZRYLTYQB-BMLIUANNSA-N 352.222 4.659 0 1 FJAF CC(C)c1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587854818 UFEQZPYRDLBOQW-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF COc1ccc2c(c1OC)[C@@](c1ccc(F)c(F)c1)(C1CC1)N(C)[C@@H](C)C2 962568195 DNTPPHSZGRXLRP-XMHCIUCPSA-N 373.443 4.512 0 1 FJAF CC(C)c1nn(C)c2c1[C@]1(CC=C(c3ccc(Cl)cc3)CC1)NCC2 962923346 YTVQODVWJXSNHE-OAQYLSRUSA-N 355.913 4.805 0 1 FJAF Cc1cc2c(cc1O)[C@H]([C@H](C)CC[C@@H](C)CC(C)(C)C)N[C@H](C(=O)O)C2 963547267 AWHXQOFWXQZECW-ZLFYYGENSA-N 361.526 4.829 0 1 FJAF N=c1nc(-c2cccs2)cc(-c2cc3cc(Br)ccc3o2)[nH]1 1857553881 BQTBRLMCPNMCSY-UHFFFAOYSA-N 372.247 4.793 0 1 FJAF Brc1ccc2nc(N[C@H]3OCCc4ccccc43)sc2c1 1857755146 MZNIFEBAIJWJCM-HNNXBMFYSA-N 361.264 4.742 0 1 FJAF COc1ccc2nc(-c3cccnc3-c3ccc(OC)c(OC)c3)oc2c1 1911578186 XRLCYYUMFMCKMK-UHFFFAOYSA-N 362.385 4.583 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)O[C@@H](C)c2cnccc2-3)c1 2382241753 MZBLKPUSLVWLBU-CABCVRRESA-N 374.440 4.702 0 1 FJAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1 61903258 NGXIGEQZYBBTNA-IBGZPJMESA-N 372.440 4.931 0 3 FJAF Cc1cc(NC(=O)Cc2cn(C)c3ccccc23)ccc1Nc1cccnc1 199264550 DRLZOLJXENVMGE-UHFFFAOYSA-N 370.456 4.807 0 3 FJAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cc(C)cnc32)CC1 598551 IPEVIECOSRVVCZ-UHFFFAOYSA-N 366.892 4.586 0 1 FJAF COc1ccc2onc(CCC3CCN(Cc4ccccc4)CC3)c2c1 605782 WLEKXXPTBPECMY-UHFFFAOYSA-N 350.462 4.681 0 1 FJAF CCCCc1ccc(C2=NN([P@@](=O)(OC)c3ccccc3)CCC2)cc1 13557110 WKHCCEDBMYIAML-SANMLTNESA-N 370.433 4.994 0 1 FJAF COc1cccc(CNC(=O)[C@@H]2CC=C(c3c[nH]c4ccccc34)CC2)c1 20863756 MEGUKSCSIBLBRQ-GOSISDBHSA-N 360.457 4.676 0 1 FJAF Cc1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2C)C1 45388163 UYUUBRBRUZYWLZ-SZPZYZBQSA-N 350.550 4.989 0 1 FJAF O=C(OCc1ccccc1)C1(c2ccc(-c3ccccc3)cc2)CCNCC1 64417290 MOEDYMLNDOBXOW-UHFFFAOYSA-N 371.480 4.718 0 1 FJAF CCNC(=O)c1ccc2nc(Nc3nc4ccc(F)cc4s3)sc2c1 70463016 RYDXSVUJTDIYQY-UHFFFAOYSA-N 372.450 4.538 0 1 FJAF CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)cnn13)CCC2 72116201 GIJGCBPQINCFDV-UHFFFAOYSA-N 364.493 4.803 0 1 FJAF Fc1cccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)c1 72183359 OPGAPPINQSKYRH-UHFFFAOYSA-N 366.314 4.669 0 1 FJAF CC(C)(C)c1cccc(-c2cccc(C(F)(F)P(=O)(O)O)c2)c1O 96285011 SMLVVCTVWZQVKM-UHFFFAOYSA-N 356.305 4.584 0 1 FJAF O=C(Nc1nc2c(s1)CCCc1ccccc1-2)c1c(F)cccc1F 96905931 FHWANDWZGNVQTB-UHFFFAOYSA-N 356.397 4.829 0 1 FJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccs1 100703706 PSUHFIPCBAVEJB-CQSZACIVSA-N 373.503 4.960 0 1 FJAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@@H](O)CCc1ccccc1 169322246 DJCMOAQEGWWEJG-LEWJYISDSA-N 362.510 4.781 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@H](CSCCc2ccccc2)[C@H]2CC[C@H]1O2 253819983 ZLEMKOGTMZQMLN-LGOXXERASA-N 374.546 4.957 0 1 FJAF C=C=C[S@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 299809886 TWJIXIMVSAVZGQ-GQSYNGNISA-N 358.547 4.934 0 1 FJAF CC(=O)N1C[C@]2(CCCCN2Cc2ccc(Cl)cc2)Cc2ccccc21 299852178 ONTWTQXNIVFXRK-QFIPXVFZSA-N 368.908 4.674 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nccc(Cl)c3[nH]2)cc1 586879252 NCKLDQVXJRLUAY-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Brc1ccc(NCCc2nc3cnc4ccccc4c3[nH]2)cc1 586996733 YLWUTCLTODJJNU-UHFFFAOYSA-N 367.250 4.528 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)c(F)cc2[nH]1 586997151 VFOPPRZKROMRRF-UHFFFAOYSA-N 367.193 4.918 0 1 FJAF CC(=O)C12CC(c3cc4c5c(ccc(C)c5n3)C(=O)c3ccccc3-4)(C1)C2 587099392 HAOMERYVYJUQPK-UHFFFAOYSA-N 353.421 4.765 0 1 FJAF O=C1C[C@@H](CCCOCc2ccccc2)Oc2c1ccc1c2CCCC1 587525162 SMLPINUXRCQSTK-LJQANCHMSA-N 350.458 4.896 0 1 FJAF O=C1C[C@@H](c2csc3cnc(Cl)nc23)Oc2c1ccc1c2CCCC1 587536591 XDRFZOLUHFAGMG-HNNXBMFYSA-N 370.861 4.930 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@H]2c1ccccc1 587603321 LXXSQTDOZWDRGH-KPDCDPCYSA-N 358.393 4.670 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3NC=O)c(CC(=O)O)c2c1 587643109 RALNFQHNJSICJH-CYBMUJFWSA-N 350.418 4.544 0 1 FJAF Cc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587730820 YIJOVKXFZGWRAJ-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cccnc3c2)N1 587777167 FRXIGACSNFBGAT-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(C(F)(F)F)cc1C 587871040 ODXLQJTWRFWMPY-UHFFFAOYSA-N 365.330 4.799 0 1 FJAF COc1cccc([C@H](C)Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587931082 LWYBPNLVACJNSH-LLVKDONJSA-N 350.340 4.816 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)c1 587932735 PYHKYYVSAXLGMU-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3cccc(F)c3)nc2C)N1 962952820 VYOMVGCIAHYMTD-HJPURHCSSA-N 374.463 4.815 0 1 FJAF COc1ccc2c(c1)[C@](C)(Cc1cc(Cl)cnc1Cl)N[C@H]1CC[C@H]21 962995965 NVKYASPRPXROJW-AYBZRNKSSA-N 363.288 4.704 0 1 FJAF Cc1c(-c2cccc(N3CCCCC3)c2)[nH]c2cc(F)cc(F)c2c1=O 1772572347 VPIRTJLYRSQOMS-UHFFFAOYSA-N 354.400 4.772 0 1 FJAF c1ccc(CN=c2[nH]c3nc4c(c(-c5ccccc5)c3s2)CCC4)cc1 1857596974 XOENIVJRFMTEIU-UHFFFAOYSA-N 357.482 4.881 0 1 FJAF COc1ccc(-c2[nH]c3ccc(C4CCNCC4)cc3c2C)cc1OC 1911570482 BYXCSQIDOXYWDS-UHFFFAOYSA-N 350.462 4.628 0 1 FJAF c1ccc(CCCCOc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)cc1 2382226802 VGBIOOQBYHOHQA-UHFFFAOYSA-N 370.456 4.935 0 1 FJAF Cc1cc2c(c(C)c1NC(=O)N1CCOCC1)c1ccccc1n2C(C)C 27104816 BHTJQQZHOZWIRO-UHFFFAOYSA-N 365.477 4.856 0 1 FJAF CN1[C@H]2CC[C@@H]1C=C(c1c[nH]c3ccc(NC(=N)c4cccs4)cc13)C2 34805990 QDCUCJYGMXHDLJ-CVEARBPZSA-N 362.502 4.917 0 1 FJAF Cc1c(C2CCNCC2)ccnc1O[C@H](c1cccc(F)c1)C(F)(F)F 40938895 TTZFFXORXRZDPG-QGZVFWFLSA-N 368.374 4.679 0 1 FJAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)c1 100107965 WHPSFYUBLFYTTM-QEIWAGNOSA-N 372.487 4.741 0 1 FJAF CCSc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332016 DLTBJFNKVNSDQJ-IBGZPJMESA-N 366.534 4.751 0 1 FJAF FC(F)(F)c1cccc(CN2CC[C@@H](Nc3cccc4cnccc34)C2)c1 114332798 SSRBFIKGFONJBY-GOSISDBHSA-N 371.406 4.940 0 1 FJAF CC(=O)[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(C)=O)CC[C@@]32O)C1 118921410 UOFFWLNONNOOOK-KAJOVLNSSA-N 360.538 4.554 0 1 FJAF O=C(/C=C/c1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 145059841 QTBUBOFCXCXKDA-SSGOSMAHSA-N 352.821 4.534 0 1 FJAF Cn1/c(=N/C=C/c2sc3ccc(Cl)cc3[n+]2C)sc2ccccc21 169323927 XFNOAAGBYKRJSY-UHFFFAOYSA-N 372.926 4.504 0 1 FJAF COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccc4)CC3)CC2)c1 253723847 XCLCSOAFYUDOLP-IQGASKDCSA-N 350.506 4.544 0 1 FJAF OCc1cccc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 586895004 KJFBPEAQOLSGID-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF Clc1nccc(-c2nc3ccc4ncccc4c3[nH]2)c1Br 586979578 QDLMUKHVZQAJCX-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CCc1cc(OCc2nc3cc(Br)ncc3[nH]2)ccc1Cl 587052787 MRTKAXODMXPKQU-UHFFFAOYSA-N 366.646 4.515 0 1 FJAF Oc1nc2cc3[nH]c(-c4ccc5ccc(Cl)c(Cl)c5n4)nc3cc2[nH]1 587083464 VSCKHUAKWSGYTK-UHFFFAOYSA-N 370.199 4.667 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587151169 WJLHJIZBXXMAJK-QGZVFWFLSA-N 352.800 4.952 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 587192679 ZCVRODNUIHARQB-KRWDZBQOSA-N 373.403 4.797 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(F)c(F)c(F)c2[nH]1 587200863 ATKITODXHIGKNU-UHFFFAOYSA-N 371.403 4.561 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(C(C)C)O2 587375647 DYBNXRLATHVSGI-IBGZPJMESA-N 374.278 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)nc3ccccn13)CC2=O 587462761 SLPRAGWULWAIKG-HXUWFJFHSA-N 370.836 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3cccn3)cc1C)CC2=O 587480042 VZQKNKXCYPFQNR-NRFANRHFSA-N 362.429 4.545 0 1 FJAF C[C@@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587496536 HYLUALBHWKVVIV-IBGZPJMESA-N 372.262 4.604 0 1 FJAF CCc1ccc2occ([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587532062 MNJZNQFWSCOIHC-QFIPXVFZSA-N 374.436 4.941 0 1 FJAF Cc1cc(C)cc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1 587564393 KROQXJPPOVNHCS-UHFFFAOYSA-N 367.193 4.799 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587613978 QKSWPBJDSCNKEE-YLJYHZDGSA-N 352.411 4.773 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2Cl)N1 587698856 VSNQQVRTSQOGTK-VPTHRUTESA-N 370.649 4.571 0 1 FJAF CCN(CC)CC(C)(C)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743648 XODMYAAMIUVRFM-PXAZEXFGSA-N 371.338 4.532 0 1 FJAF Cc1ccc(/C=C/[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831726 YBYOLVUNSATMAK-NTBJVBTPSA-N 350.231 4.778 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3occc3c2)N1 587835327 VLEFXWAUWQRXCO-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 587872017 SRFCMGPIQGFUQL-LPHOPBHVSA-N 356.441 4.967 0 1 FJAF FC(F)(F)CN1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 653704588 FUAYDGSDEDQIEE-SFHVURJKSA-N 368.830 4.609 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCC[C@@H]2NC(=O)OC(C)(C)C 963237753 ZJMUVIAPUYZJGM-WVBUVRCRSA-N 358.526 4.616 0 1 FJAF CN1CCc2c(Br)cccc2[C@@H]1c1cc(Cl)ncc1Cl 963279708 JCXDFBZPBHOPQT-OAHLLOKOSA-N 372.093 4.728 0 1 FJAF CCCCc1ccc([C@@]2(c3cnccc3C)NCCc3ccc(O)cc32)cc1 963328793 JAWCAGWAFFCPCT-RUZDIDTESA-N 372.512 4.876 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](CCC(F)(F)F)O[C@H]2c2ccc(F)cc2)O1 72138452 WHXKSMKFBRIDLY-DOMZBBRYSA-N 374.330 4.562 0 3 FJAF c1ccc2c(c1)CN1C(=N2)COc2ccccc2[C@H]1c1nc2ccccc2[nH]1 95598813 WHFKXZRNKKWHTJ-QFIPXVFZSA-N 366.424 4.591 0 3 FJAF CC(=O)Nc1ccc2c(c1)nc(Nc1c(C)cccc1Cl)c1cncn12 591295 SJTZRBVECURMON-UHFFFAOYSA-N 365.824 4.546 0 1 FJAF C=C1C(=O)O[C@H](CCCCCCCCCCCCCC(C)=O)[C@@H]1C(=O)O 5855143 SKQHRBRVCRUFSX-RTBURBONSA-N 366.498 4.829 0 1 FJAF biogenic CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2c(Cl)cccn12 13801052 LXFCJWVXKHOVQN-UHFFFAOYSA-N 369.896 4.846 0 1 FJAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C=C(C)[C@@H]2C)cc1OC 14726916 GRJMIMFTPGNXIC-FPTDNZKUSA-N 354.446 4.906 0 1 FJAF biogenic CCCCc1cccc(=O)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 28249352 MJOYIHQPFMMPPX-UHFFFAOYSA-N 361.441 4.604 0 1 FJAF O=C1C[C@H](c2ccc(Cl)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 63539433 MSHWFKSJTARSSX-LLVKDONJSA-N 358.224 4.748 0 1 FJAF Cc1ccc(-c2cc([C@@H](O)C[C@H]3CCCCN3)c3cc(F)ccc3n2)cc1 169334817 JOQWCIZAXJWNHJ-JPYJTQIMSA-N 364.464 4.915 0 1 FJAF C/C=C/C=C/C=C1\CO[C@](C)(OC)[C@H]1OCc1c(O)cccc1CCC 169352300 CMGDDPIWFSGFBB-VNHIAOPGSA-N 358.478 4.681 0 1 FJAF COc1ccc(/C=C/c2cc(OC)c(CC=C(C)C)c(O)c2C(=O)O)cc1 207997674 CYKZNTSANLYPPJ-RMKNXTFCSA-N 368.429 4.787 0 1 FJAF CCO[C@H](CC(C)C)c1c(O)c(CC=C(C)C)c(O)c(C(C)=O)c1OC 238739778 JZJAUZDXYVTXQG-MRXNPFEDSA-N 364.482 4.941 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(F)cc(Br)c3[nH]2)cc1 586894149 YEXXAJOSHKUBDN-QLJPJBMISA-N 363.230 4.610 0 1 FJAF Cc1cnc2nc(-c3cccn3-c3ccc(Br)cc3C)[nH]c2c1 586981499 PZOLBQLADXYFRG-UHFFFAOYSA-N 367.250 4.795 0 1 FJAF Cc1ccc2c3c(cc(-c4cccc(O)c4N)nc13)-c1ccccc1C2=O 586997940 WVCMDXGFDJEOSI-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF Cc1nc(C)c(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)s1 587012754 UOWRVNUXYIAWPT-UHFFFAOYSA-N 350.285 4.606 0 1 FJAF Cc1cc(Cl)ccc1OCCCc1nc2cc(C(F)(F)F)cnc2[nH]1 587067162 WIGZDJUXFDBNTH-UHFFFAOYSA-N 369.774 4.950 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1C(=O)c1coc2ccc(Cl)cc12 587278742 SKGQPOOLPNDZHC-UHFFFAOYSA-N 363.122 4.723 0 1 FJAF Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341521 XBGKJECBXUEYQJ-IFMALSPDSA-N 363.388 4.509 0 1 FJAF COc1ccccc1-c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399930 NQXTZOYOYPRORX-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)c(O)cc1F)CC2=O 587466247 MSJQJGIWQYYNMO-KRWDZBQOSA-N 350.773 4.549 0 1 FJAF C[C@@H]1CCCC[C@H]1N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515887 WZHDMSQNPHOTHI-DYESRHJHSA-N 367.533 4.944 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2Cl)N1 587692291 GUIFVTGGXGRCBU-ZKANADHPSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Cl)c2)N1 587697241 SCMDDELSBLFKII-VPTHRUTESA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CCc3ccccc32)N1 587824140 URLLJFHWVHGPIZ-PRIMNGNOSA-N 360.270 4.894 0 1 FJAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587936449 LKWUSMOFSQCNOC-JDNHERCYSA-N 351.233 4.715 0 1 FJAF O=C(O)Cc1ccc(Cc2nc3ccc(Sc4ccccc4)cc3[nH]2)cc1 587958681 FUZRDVGLBHAICK-UHFFFAOYSA-N 374.465 4.932 0 1 FJAF CCCCc1ccc([C@]2(c3cnccc3C)NCCc3ccc(O)cc32)cc1 963328794 JAWCAGWAFFCPCT-VWLOTQADSA-N 372.512 4.876 0 1 FJAF C[C@]1(c2cc(Br)cc(F)c2F)NCCc2cccc(Cl)c21 963390864 NTSVBVCHONGRCL-MRXNPFEDSA-N 372.640 4.790 0 1 FJAF COc1ccc(-c2ccccc2F)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772624472 SQOQXISOAHFNLD-INIZCTEOSA-N 371.433 4.873 0 1 FJAF CCC[C@H]1C[C@H]2CCc3c([nH]c4ccc(OC)cc34)[C@@](C(=O)OC)(C1)C2 2356726051 VTPKXBMSSJJZPO-SMASLZHESA-N 355.478 4.750 0 1 FJAF CCOc1cc(/C=C\c2ccc(OC)c(O)c2)cc(OCC)c1OCC 13607875 ZYTHTIHLBPZGHG-HJWRWDBZSA-N 358.434 4.767 0 1 FJAF CNC(=O)c1cc2c(Oc3ccc(-c4ccco4)cc3)cncc2s1 13864424 MIUGKHGNZHIMOY-UHFFFAOYSA-N 350.399 4.708 0 1 FJAF O=C(CSCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 14980023 ZSJUSXPDIILCLH-UHFFFAOYSA-N 352.459 4.675 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cccc(C(=O)O)c21 28571706 JAPHVUWBEYMUCG-ZBEGNZNMSA-N 350.245 4.878 0 1 FJAF Nc1c(-c2ccccc2)nnn1-c1c(Cl)cc(C(F)(F)F)cc1Cl 28825634 PBZAEFOIGADQGW-UHFFFAOYSA-N 373.165 4.842 0 1 FJAF CCC(CC)Cn1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 43122107 GEHKWONZLDREOE-UHFFFAOYSA-N 363.889 4.702 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@H]1CCCN2CCCC[C@H]12 84741445 LAGAODHREHSTBR-CZUORRHYSA-N 356.388 4.518 0 1 FJAF Clc1ccc(CN2CCN(Cc3c[nH]c4ccccc34)CC2)cc1Cl 87722053 GBYXTIZDOIKXPZ-UHFFFAOYSA-N 374.315 4.793 0 1 FJAF Cc1cc(C)c(Oc2cc(Nc3cccc(Cl)c3)n[nH]c2=O)c(C)c1 95604759 ZPSFDQKBYWXZER-UHFFFAOYSA-N 355.825 4.884 0 1 FJAF COC[C@H]1CCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100916031 VPXXSTZDNSFSTJ-MJGOQNOKSA-N 368.473 4.734 0 1 FJAF CCCC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@@H]1C 169320361 PJMLJWJSJAJPRN-OWSXEPHWSA-N 363.501 4.575 0 1 FJAF CCCCCCO[C@H](C)[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253633138 DTSBTUSKJKTLJH-LKKDOBNRSA-N 352.515 4.967 0 1 FJAF c1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CCCN2CCCC2)cc1 299822902 PXIPTYSJXWRLOR-DEOSSOPVSA-N 359.517 4.601 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2nc(Br)c[nH]c-2n1 586878522 JILREBPSNOCQFB-UHFFFAOYSA-N 365.234 4.709 0 1 FJAF COc1cc(OC)c2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587060889 QDOYWMQZISQZMQ-UHFFFAOYSA-N 355.781 4.556 0 1 FJAF FC(Br)(Br)c1nc2cc3ccccc3cc2[nH]1 587087781 UELYYYKTWVGTPB-UHFFFAOYSA-N 358.008 4.586 0 1 FJAF CCOC(=O)Cc1nc2cccc3c2c(c1C(C)C)-c1ccccc1C3=O 587105639 CDRFXCLFRDOFAU-UHFFFAOYSA-N 359.425 4.675 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587242076 ONDZWHBWJYANJM-UHFFFAOYSA-N 362.355 4.628 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(/C(=C\N(C)C)c1ccc(Cl)cc1)O2 587376001 BKUUTLGEVMMYAJ-NYXAKURHSA-N 370.880 4.557 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1c(Cl)ccc(F)c1Cl)O2 587380625 BAJJBGAPSMGQPF-QGZVFWFLSA-N 354.208 4.904 0 1 FJAF Cc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587495577 DCKRLSTTYDFIBA-GOSISDBHSA-N 372.262 4.738 0 1 FJAF O=C1C[C@H](c2c[nH]c3nccc-3c2Cl)Oc2c1ccc1c2CCCC1 587502084 STGRPTCKGVGZNU-QGZVFWFLSA-N 352.821 4.753 0 1 FJAF COc1ncc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587503571 VFXGJRKXZTYFBD-FQEVSTJZSA-N 357.837 4.503 0 1 FJAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587615479 XNLWAFJFZNBUSO-WIYYLYMNSA-N 366.438 4.948 0 1 FJAF Cc1cccc(OC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803807 XZUMMZXASOMMKK-LRDDRELGSA-N 364.258 4.551 0 1 FJAF C[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587817073 HVMDQXIMMJUARX-AVCJSFLBSA-N 360.270 4.873 0 1 FJAF Cc1cc2c(o1)CCC[C@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587830451 FCACXFWYGKQPFU-MGNBDDOMSA-N 364.258 4.604 0 1 FJAF C[C@@H](CC1CCOCC1)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587836067 RJDRHHLSZJIADF-IUUKEHGRSA-N 370.306 4.616 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)cc1 587865110 VCMWRSWRFIJHHR-UHFFFAOYSA-N 374.362 4.965 0 1 FJAF COc1c(O)c2c(c(O)c1C(=O)C(C)C)C=C[C@](C)(CCC=C(C)C)O2 2356698363 SOFPGLXIKIUXDF-NRFANRHFSA-N 360.450 4.856 0 1 FJAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCC)[C@H]1C2 13453896 JMKIHVULQFDEGK-UNMCSNQZSA-N 358.526 4.653 0 1 FJAF O=C(NC(=O)c1ccccc1Cl)NC1c2ccccc2-c2ccccc21 43068665 SMHDVBQOXIKRHO-UHFFFAOYSA-N 362.816 4.549 0 1 FJAF O=C(Nc1nc(-c2ccc(Cl)cc2)co1)c1n[nH]cc1-c1ccccc1 95562007 FZSPMSWFSIKOBE-UHFFFAOYSA-N 364.792 4.637 0 1 FJAF COC(=O)C[C@@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1 96167508 QGCFHHAECMRPHJ-INIZCTEOSA-N 357.450 4.793 0 1 FJAF COC(=O)N1C[C@H]2[C@H]3[C@@H]4C[C@H](C(c5ccccc5)=C4c4ccccc4)[C@@H]3[C@@H]21 102959797 FZZYGBFGNWPQRI-FMIQGQKWSA-N 357.453 4.560 0 1 FJAF COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=Cc3n[nH]c(O)c32)cc1 103184170 RPKDFBKUMHXXST-KRWDZBQOSA-N 352.821 4.854 0 1 FJAF CCSc1c(CC)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O 103288298 TUYBBIIPOHTTBZ-UHFFFAOYSA-N 368.886 4.652 0 1 FJAF CCC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314009 JVJYOCYVDQOIIM-IGNFXPAMSA-N 350.289 4.839 0 1 FJAF CCO[C@H]1C[C@@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(CO)=CCC[C@H]23)CO1 238734754 FBKNZLADDYQBKT-BDACHGGBSA-N 350.543 4.937 0 1 FJAF Cc1c(-c2ccc(F)cc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O 299855749 GBYBABBGNOSDLN-UHFFFAOYSA-N 350.393 4.820 0 1 FJAF FC(F)(F)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587043103 YDWLLYGTMLLGFB-HOTGVXAUSA-N 363.408 4.528 0 1 FJAF COc1cccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c12 587159640 ROLXPGBWEVXBQG-UHFFFAOYSA-N 358.376 4.717 0 1 FJAF Cc1cc2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c(C)n1 587191433 UUQRTWQWOXNWJQ-GOSISDBHSA-N 366.465 4.531 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cncc(Cl)c3[nH]2)c1 587195183 CSPMOUZIBKJKOE-UHFFFAOYSA-N 372.856 4.958 0 1 FJAF CC(C)COCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347032 KSUNCKLSWBLQOP-IFMALSPDSA-N 372.436 4.712 0 1 FJAF COc1cccc(-c2cc(-c3c[nH]c(=N)o3)nc3c2oc2ccccc23)c1 587361823 ADSIZNBYEAWXJB-UHFFFAOYSA-N 357.369 4.724 0 1 FJAF CC[C@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418393 POORYNABHWFCKY-DNVCBOLYSA-N 373.246 4.511 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)cc1C(F)(F)F)CC2=O 587463350 XMGCLXVYLCIHRQ-KRWDZBQOSA-N 366.335 4.776 0 1 FJAF CCOC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc1C 587529360 AKGGPSXVRRRWNT-QFIPXVFZSA-N 368.429 4.524 0 1 FJAF O=C(O)c1csc2c1CCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587534048 AOGDPJNIQIKYCN-OAQYLSRUSA-N 368.454 4.522 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cnccc2c1 587587310 NMWXHOQYVDPZKL-REWPJTCUSA-N 369.376 4.643 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c(CCN3C(=O)c4ccccc4C3=O)c2c1 587641552 HHNSMFAGVPDIIY-CQSZACIVSA-N 360.457 4.829 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3n2)N1 587779141 QKDPXFJUVRJLGT-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2)N1 587779176 QONVHHIYCWQGNV-NSPYISDASA-N 371.253 4.760 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3cccc(C(=O)O)c3[nH]2)c1 587779902 JHUSCERGRZONKD-UHFFFAOYSA-N 358.397 4.994 0 1 FJAF CC[C@]12CC[C@H](C[C@]13N[C@H](C)Cc1cc(Br)c(F)cc13)C2 587824899 AZVPYTHAYQBNLM-FVEFGIFQSA-N 352.291 4.918 0 1 FJAF COc1ccc(C[C@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC 587926158 JGJGYSZEDFBSTI-VIFPVBQESA-N 366.795 4.858 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1cccc(O)c1 653882155 QSWYEANWSAACBW-MDNUFGMLSA-N 356.425 4.533 0 1 FJAF Cc1ccc(C[C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)cc1 961744589 ACZUCZKXROCLLD-IBGZPJMESA-N 356.307 4.894 0 1 FJAF Fc1cccc2c1[C@H](c1cccc(OCC(F)(F)F)c1)N1CCC[C@H]1C2 963093101 BHLFVVBBLAQGOT-KXBFYZLASA-N 365.370 4.877 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc2cc(NC(C)=O)ccc2n1 963237735 ZHBLCLBYCMVPDH-FYSMJZIKSA-N 373.500 4.939 0 1 FJAF O=C(C[C@]1(C(F)(F)F)NCCc2cccc(Cl)c21)c1ccc(F)cc1 963390624 LQXBEIZDALTHMF-KRWDZBQOSA-N 371.761 4.655 0 1 FJAF O=C(O)c1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccccc2)cc1 15936922 CXNATWLNXIXRSJ-UHFFFAOYSA-O 374.445 4.529 0 3 FJAF COc1cccc([C@H](NC(C)=O)c2nc(/C=C/c3ccccc3)cs2)c1 61906076 RHNJGXNKPFVBMW-SGWGQVFISA-N 364.470 4.548 0 3 FJAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 72138253 IGBHDJDWQNUBBT-WMLDXEAASA-N 350.842 4.924 0 3 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590738 MPGFEMYHWUEOAQ-VJUNAUMWSA-N 368.399 4.517 0 3 FJAF CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3)n(C)nc12 13445075 IZCRBGDBHGYVDF-UHFFFAOYSA-N 357.889 4.619 0 1 FJAF COc1cc(CC2c3ccccc3C(=O)c3ccccc32)cc(OC)c1OC 13525004 MHXGKSLZUMTWOZ-UHFFFAOYSA-N 374.436 4.631 0 1 FJAF C[C@@H](Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863329 RGEGOFLLWVRBMG-KRWDZBQOSA-N 361.445 4.969 0 1 FJAF O=C(O)c1csc(-n2cc(CC(F)(F)F)c3ccc(Cl)cc32)n1 29044360 OHCABHSQBRACBW-UHFFFAOYSA-N 360.744 4.543 0 1 FJAF C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1 35996501 PPMCUVCEZBSOGR-QGZVFWFLSA-N 368.484 4.872 0 1 FJAF CSc1ccc(Cc2nn(-c3ccccc3)c(=O)c3ccccc23)cc1 40564267 XIKFPSLXXZGEAH-UHFFFAOYSA-N 358.466 4.698 0 1 FJAF COc1ccc(OC)c([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)c1 66097945 MUXCSQRFRVRWRP-JOCHJYFZSA-N 374.440 4.555 0 1 FJAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@@H](C)CC 82221853 VJJFVGJXEXGSJG-AWEZNQCLSA-N 355.461 4.576 0 1 FJAF COc1ccc(Cl)cc1-c1ccc2c(c1)SC(=N)N1CCCN=C21 95576137 KPPUQGRGBNYBLS-UHFFFAOYSA-N 357.866 4.508 0 1 FJAF COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 100779283 BMUVJFGCCPHXOJ-VVBPWWLESA-N 358.478 4.893 0 1 FJAF endogenous,in-man CCSc1cc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(C)o1 102388784 NPVIPADPDCXCJF-KRWDZBQOSA-N 361.463 4.681 0 1 FJAF O=c1oc2ccccc2c2c1[C@@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 102852927 SEGJAJKMRUZQIS-DENIHFKCSA-N 374.417 4.762 0 1 FJAF Nc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2c1 168704542 UVMWGRJYEMCBSN-UHFFFAOYSA-N 354.457 4.588 0 1 FJAF CC[C@@H](C)Oc1nn(-c2ncc(C3CC3)cn2)c(C)c1Cc1ccccc1 299857374 CRWNFZZMPDWQKN-OAHLLOKOSA-N 362.477 4.616 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 586915962 JJBVLCRLTPRHID-BFUOFWGJSA-N 358.800 4.572 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(N)ccc4O)nc13)-c1ccccc1C2=O 586997613 TXNYGOLDTKHTFY-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF Cc1cc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2cc1C 586999256 WXRUOLFULOTQEC-ARJAWSKDSA-N 371.234 4.841 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587242656 YBPYVSWKBZUBCR-UHFFFAOYSA-N 365.330 4.771 0 1 FJAF CC[C@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420050 VXZQWKNSYDDLGK-DNVCBOLYSA-N 373.246 4.511 0 1 FJAF C[C@@]1(C(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502527 RYPZISQLYQPAER-NRFANRHFSA-N 354.833 4.826 0 1 FJAF O=C1C[C@H](c2cnn(-c3cccc(F)c3)c2)Oc2c1ccc1c2CCCC1 587504120 MVFJZYDGZCESAG-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF O=C1C[C@@H](c2ccc(-c3cnccn3)cc2)Oc2c1ccc1c2CCCC1 587513579 CYIZMQJJOFNMAS-QFIPXVFZSA-N 356.425 4.729 0 1 FJAF CCn1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516942 XYOXNGHRZWDLDH-HSZRJFAPSA-N 360.457 4.816 0 1 FJAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587624346 GZFDFRKIPYMIIF-UHFFFAOYSA-N 364.873 4.709 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(OC)cc3)c2c1 587641873 IDQPYMKFVGTTKK-AWEZNQCLSA-N 350.462 4.928 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccncc23)N1 587779074 PYNKAKIIOCITMC-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCOc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587803538 WZKRHAMTVVMDGS-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587820407 PFFSRPRHHRGPBB-GDNUXHISSA-N 350.275 4.550 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 587872013 SRFCMGPIQGFUQL-APWZRJJASA-N 356.441 4.967 0 1 FJAF COc1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1OC 587926870 PFHXCXMXPGVCDG-UHFFFAOYSA-N 374.440 4.750 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(Br)nc2[nH]1 587951647 ICVSFWZUDCDHFQ-GVXVVHGQSA-N 352.276 4.767 0 1 FJAF FC(F)(F)c1cccc2c1[C@]1(CC[C@@H](C3CC3)C1)NCC21CCOCC1 962960534 VEGGELCJPZDOJH-FOIQADDNSA-N 365.439 4.762 0 1 FJAF Oc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2[C@H]3O)cc1 1857630986 CGBKABBBVJZPAJ-XMMPIXPASA-N 367.404 4.889 0 1 FJAF CC(=O)O[C@@]1(C)CC[C@H]2O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@]2(C)O 2356600937 DVOLXISDJJZOLW-MLNNCEHLSA-N 364.526 4.710 0 1 FJAF C[C@@H]1C=CC=CC=CC=CC=C[C@@H](O)CC=CC=CC=CC=CC(=O)NC1 2356793569 KPEMWDNFHKXYQE-DHIUTWEWSA-N 363.501 4.509 0 1 FJAF CN(CCC1CCN(Cc2ccccc2)CC1)C(=S)Nc1ccccc1 13734768 COFQSLGDGNOTQF-UHFFFAOYSA-N 367.562 4.618 0 1 FJAF CCCCCC(=O)c1ccc(OCCCN2CCN(CCCC)CC2)cc1 22924783 CWMROIPYLYIONF-UHFFFAOYSA-N 374.569 4.636 0 1 FJAF Fc1ccc(CO[C@H](CCc2ccc(Cl)cc2)Cn2ccnc2)cc1 40564126 NHQIJMCHPLEILJ-HXUWFJFHSA-N 358.844 4.894 0 1 FJAF O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccco4)c3)cccc12 101172213 HCSKLXGSHKTASB-UHFFFAOYSA-N 373.408 4.557 0 1 FJAF CC1=CC2(CCCCC2)N(S(=O)(=O)c2ccc(O)cc2)c2ccccc21 138476461 YNSBWJPZLYQJPL-UHFFFAOYSA-N 369.486 4.707 0 1 FJAF in-vivo CCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143844855 QRJLAXYGBNEKPP-CYBMUJFWSA-N 359.397 4.569 0 1 FJAF CC[C@@H](C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 145817811 DXSNXUDENYDYMY-OAHLLOKOSA-N 362.433 4.541 0 1 FJAF NC(=O)c1ccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2c1 587049452 ADGPWEYWLWQUQJ-UHFFFAOYSA-N 372.211 4.896 0 1 FJAF Cc1cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c2cc1Br 587058541 WYWHJANKZXLLBE-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Cc1nc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1Br 587086092 RRQXOMTULUPAQK-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF Cn1ncc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c21 587105004 LDJDMHAQWQNZDD-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF COc1c(Cl)cc(Cl)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587375402 MJFBYHBUPYXJHV-OAHLLOKOSA-N 352.217 4.599 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(C1CCCC1)CC2=O 587490233 PJYICNVNRDPECI-JOCHJYFZSA-N 351.446 4.791 0 1 FJAF CCn1c(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587754462 YYEQGUCPJNLVJD-XTZNXHDOSA-N 365.290 4.650 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccc(O)cc2)N1 587826375 AKKGTGICSJUHOO-ZAIXAGPMSA-N 362.242 4.583 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@]12NCCc1cc(C)c(F)cc12 962300237 PKDAWEZURJPBIA-TVTNDZMWSA-N 361.501 4.501 0 1 FJAF COCC[C@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21 963109128 OWATXYIVSCERBC-GOSISDBHSA-N 354.252 4.558 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)O)c1c(C)cc(C)cc1C 963228698 MMXNKFSSHZOMNC-JPYJTQIMSA-N 351.490 4.597 0 1 FJAF O=C(O)CC[C@@H]1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 1772623043 MGYBBSHVDYKNTD-GFCCVEGCSA-N 370.298 4.560 0 1 FJAF COc1cc([C@H](C)c2ccc(OC(F)(F)F)c(F)c2)cc(OC)c1OC 1857629467 WFJFFFKZFSLIKX-SNVBAGLBSA-N 374.330 4.902 0 1 FJAF C[C@@H](NC(=O)Nc1cccc2cnccc12)c1ccc(Br)cc1 14973616 AKTZXXHZSMWADQ-GFCCVEGCSA-N 370.250 4.880 0 1 FJAF CCCCC[C@H](O)CCC[C@H](Cc1ccc(CCC(=O)O)cc1)C(C)=O 27096364 CIULJYUYIVWYLS-RTWAWAEBSA-N 362.510 4.563 0 1 FJAF CCCc1c(Sc2c(Cl)cccc2Cl)[nH]c2nc(N)nc(N)c12 40402041 GIGFVNFADXXCQC-UHFFFAOYSA-N 368.293 4.533 0 1 FJAF COc1ccc2c(c1)C(=O)C(c1ccc(-c3ccc(Cl)cc3)cc1)=[N+]2[O-] 45254324 UKKAFGXRMFUYPA-UHFFFAOYSA-N 363.800 4.843 0 1 FJAF Fc1cc(-c2cn[nH]c2)cc2sc([C@H]3COc4ccccc4C3)nc12 49032691 FVHZBDOYMRWFJV-CYBMUJFWSA-N 351.406 4.544 0 1 FJAF CCS[C@H](CC(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 72113867 LNJOWEXDGRZDIS-OAQYLSRUSA-N 357.519 4.694 0 1 FJAF Cc1ccc(CNc2nc(NCc3ccc(C)cc3)c3cccnc3n2)cc1 72184042 VQJLWUCYZCTISY-UHFFFAOYSA-N 369.472 4.866 0 1 FJAF CO/C(=C\c1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1 73198924 GAHVPEXKDUHSAD-GDNBJRDFSA-N 366.642 4.729 0 1 FJAF Fc1ccccc1CNC[C@H]1CCC[C@@H](CNCc2ccccc2F)C1 95587565 YLUOJFMUQNEWHZ-HDICACEKSA-N 358.476 4.651 0 1 FJAF CCOc1ccc([C@@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 103993216 CLWIXWPETCKMPL-FQEVSTJZSA-N 369.461 4.845 0 1 FJAF CC(C)n1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586986658 DURDXFIGEXANIW-UHFFFAOYSA-N 355.397 4.596 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cs2)o1 587016362 KOLHNUQYLIAZNH-UHFFFAOYSA-N 351.218 4.957 0 1 FJAF Cc1cc(F)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587017928 TYNOOQUOSVPZTQ-UHFFFAOYSA-N 351.406 4.736 0 1 FJAF O[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccccc1Cl 587058836 JOTFXSKXLGFNOU-ZDUSSCGKSA-N 361.150 4.970 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(C)ccc3nc1Cl)O2 587378205 AMBURCORSBIFTN-GOSISDBHSA-N 352.821 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(F)c(Cl)c1Cl)[C@@H](C2)C3=O 587424925 YBAYCCNJKLOIST-BTDLBPIBSA-N 353.176 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(F)c(F)c1F)CC2=O 587467897 VDVDVIMQOMSQOZ-LJQANCHMSA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)NCCS3)CC2=O 587498160 FUHSHCPAVBFRGK-SFHVURJKSA-N 355.459 4.569 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3ccc(Br)nc3[nH]2)cc1 587564998 SJRKIBXPIXUZMM-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721923 WWIJUNBFARNWLV-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccccc23)N1 587803426 PWGVEKHBTKKUOY-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF CC[C@@]1(c2ccc(C)o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831752 YDYROUXJCHUDPY-DYZYQPBXSA-N 352.247 4.677 0 1 FJAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587935805 JGECXKSORLXIHB-JDNHERCYSA-N 368.330 4.567 0 1 FJAF COc1cc(OC)cc(-c2cccc(NC(=O)CCc3ccccc3)c2)c1 1857608170 IMXNCHZUTIUDDX-UHFFFAOYSA-N 361.441 4.942 0 1 FJAF COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(C)nc23)cc1Cl 1857629208 SXZDEMGBLDUORL-UHFFFAOYSA-N 355.747 4.694 0 1 FJAF CC1(C)CC(=O)c2nnn(-c3cc(F)c(-c4ccccc4F)c(F)c3)c2C1 1911581603 NDMCJJCEXOEJLE-UHFFFAOYSA-N 371.362 4.507 0 1 FJAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C(O)C[C@@H]1C(C)(C)CCC[C@@]12C 2356433167 YZKVFPBCUJKGKM-SEVLPDGMSA-N 350.499 4.926 0 1 FJAF O=C1C[C@H](c2nc3cc4ccccc4cc3[nH]2)CN1c1cccc(Cl)c1 4671020 ILZQBGIEATWEIQ-HNNXBMFYSA-N 361.832 4.890 0 1 FJAF CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccccc21 13678337 XZBHQISWFMCUHI-QGZVFWFLSA-N 362.473 4.683 0 1 FJAF COc1cccc2c1[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27182552 YZYSBQZNEZZXLK-REWPJTCUSA-N 370.428 4.593 0 1 FJAF COc1ccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc2c1 28950882 GXTIQFRZCOVCGE-ROUUACIJSA-N 367.518 4.818 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181830 REBZMIXDYUMIEY-MRXNPFEDSA-N 363.509 4.795 0 1 FJAF CCc1nnc2c(C(F)(F)F)c(N3CCC(c4ccccc4)CC3)ccn12 95578784 PMHJRMIXYKVQTO-UHFFFAOYSA-N 374.410 4.695 0 1 FJAF Nc1nc(=S)[nH]c2c1[C@H](c1ccccc1)c1ccc3cccnc3c1O2 103289567 BJBRFIFLMOWOLT-CQSZACIVSA-N 358.426 4.555 0 1 FJAF Clc1ccc(N2C[C@H]3C[C@@H]2CN3CCCc2cc3ccccc3o2)cc1 169350285 DXBXHKYLHOPBKN-WOJBJXKFSA-N 366.892 4.982 0 1 FJAF COc1cccc([C@H]2CC(=O)[C@H]3Sc4cc(F)ccc4N=C3C2)c1OC 169715459 LWFXBLUNKCDGDV-GIPWTMENSA-N 371.433 4.536 0 1 FJAF CC(C)CCOc1cc2nc(C3=COCC3)[nH]c2cc1Br 586912083 CUMYOOWJUKLBJD-UHFFFAOYSA-N 351.244 4.512 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)cnc3[nH]2)c1 587126573 YMVDKPOGELEPIG-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF COc1cc2nc([C@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1C 587225478 KXIIWMHZVWTDKU-QGZVFWFLSA-N 359.470 4.636 0 1 FJAF COc1cccc(-c2cc(CC(OC)OC)nc3c2oc2ccccc23)c1 587364050 WJTUPJWIMMYLQB-UHFFFAOYSA-N 363.413 4.818 0 1 FJAF COc1cc(-c2ccccc2)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587398191 CWWASPYUAUQJPI-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN([C@@H]3CCCC[C@H]3C)CC1)CC2=O 587475386 NSQLAJFOKBKDLQ-VQIMIIECSA-N 371.521 4.723 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc3cnccc3c1)CC2=O 587491972 VJOYKBQWWXAXEY-SFHVURJKSA-N 361.441 4.860 0 1 FJAF C[C@@]1(c2cc(Cl)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612630 KCVDHANSGFHRFX-APWZRJJASA-N 372.829 4.984 0 1 FJAF CC(C)c1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Cl)cc1 587650051 VBEOSCVPWMJUKY-UHFFFAOYSA-N 361.894 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]2c2ccccc2)N1 587817803 BCCRBRNUHNAANG-XFHNUULXSA-N 360.270 4.895 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C)(C)SC2(C)C 587859088 VKLGKRCLKQVHIJ-SECBINFHSA-N 358.320 4.622 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(Br)cc(F)c3[nH]2)c1 587930623 KPZZZXKUFPCZDI-SNVBAGLBSA-N 363.230 4.819 0 1 FJAF COc1ccc2c(c1)[C@](c1cccc(F)c1)(c1ccnc(C)c1)N[C@@H]1CC[C@@H]21 962996973 PSGJVCKZPIVEBX-QTJGBDASSA-N 374.459 4.679 0 1 FJAF CCC[C@]1(CCCCC(=O)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963095818 DRIPYILQTZGLSJ-KNQAVFIVSA-N 361.501 4.965 0 1 FJAF O=C(/C=C/c1cnc2[nH]cc(-c3ccccc3)c2c1)NCCc1ccccc1 1772615307 MVOZGQDRVJVYJL-VAWYXSNFSA-N 367.452 4.602 0 1 FJAF O=C(Nc1cccnc1)c1cc(C(F)(F)F)ccc1OCc1ccccc1 1857564322 QDCGZGGBXYOTTN-UHFFFAOYSA-N 372.346 4.932 0 1 FJAF Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)cc4F)no3)cc12 1857586659 VKVWPZOCWTYVPA-UHFFFAOYSA-N 352.321 4.604 0 1 FJAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)cc2F)c1 1857750072 ADAMGLUFIWCIMH-UHFFFAOYSA-N 353.349 4.585 0 1 FJAF Cc1ccc([C@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)cc1F 61929127 BHBJHZMUSRDJEN-INIZCTEOSA-N 350.315 4.625 0 3 FJAF COc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NCC(C)C 773874 XJUMKODYAWSIAQ-UHFFFAOYSA-N 368.408 4.542 0 1 FJAF Cc1cccc(-c2noc(CN(C(=O)C(C)(C)C)C3CCCCC3)n2)c1 6811170 JGALVBUHULRRTG-UHFFFAOYSA-N 355.482 4.752 0 1 FJAF CCC(=O)C(Cc1ccc(CCc2ccc(OC)cc2)cc1)C(=O)CC 33494094 USKDWMYXLIMPLM-UHFFFAOYSA-N 352.474 4.597 0 1 FJAF CCCOc1cccc2nc(N)n(Cc3ccc(Cl)c(Cl)c3)c12 40411489 ODCTYJXVCFVIBH-UHFFFAOYSA-N 350.249 4.762 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(Cl)cccc12 63298426 OUORNBBPANSKFS-UHFFFAOYSA-N 366.730 4.946 0 1 FJAF CC1(C)C[C@@](NC(=S)Nc2cccc(F)c2)(c2ccccc2)CCO1 72110271 WCQOWJRKUQCNQM-HXUWFJFHSA-N 358.482 4.597 0 1 FJAF CCCC[C@H]1CC(c2ccc3nc(-c4cccs4)oc3c2)=NNC1=O 168861015 DNEXTNAXDJJBFW-ZDUSSCGKSA-N 353.447 4.587 0 1 FJAF CCOc1nn(-c2ccc(C3CC3)cn2)c(C)c1Oc1ccccc1F 473101507 JTWFDJVNXFMUKR-UHFFFAOYSA-N 353.397 4.783 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cc(F)c(F)cc3[nH]2)c(C)c1 586966380 LTDCHXKGHTTWLQ-UHFFFAOYSA-N 370.428 4.936 0 1 FJAF COc1nccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c12 587039232 BMZALPGJPDPRIC-UHFFFAOYSA-N 374.469 4.812 0 1 FJAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2ccc(C(N)=O)cc2[nH]1 587074180 RVCCJTZIJNTSHT-UHFFFAOYSA-N 361.832 4.958 0 1 FJAF Cc1c(F)ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167622 PAQMLAYTYFBTHU-MRXNPFEDSA-N 356.376 4.519 0 1 FJAF O=C(O)CC[C@]1(c2ccccc2)CCCc2c1nc1cccc3c1c2CC3 587215693 RRQYVYXHFBABGM-DEOSSOPVSA-N 357.453 4.821 0 1 FJAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)C(C)(C)O1 587353821 NPDKFUPPCMFREX-GCJKJVERSA-N 370.420 4.607 0 1 FJAF COC(=O)/C=C/c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362180 GAGYLFPYLKMLSS-ZHACJKMWSA-N 359.381 4.843 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cccc(Br)c13)O2 587372678 QPOZAUNUTLGLFF-INIZCTEOSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3ccc(Br)cc13)O2 587373407 VAOWDBRBIQMFJB-QGZVFWFLSA-N 371.234 4.528 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O 587421971 BGMKRQXXGQSYJA-YPMLDQLKSA-N 367.203 4.804 0 1 FJAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ncc1Br 587498436 NWKVFSWXINSJIH-GOSISDBHSA-N 372.262 4.738 0 1 FJAF C[C@H]1CCCN(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515585 VIWVMTAYSFADAA-KKSFZXQISA-N 355.522 4.657 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ccc23)N1 587803449 PZDJOTYFBCLOFG-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccsc2Cl)N1 587847803 YLIDLFQGVGSPPQ-CPFSXVBKSA-N 360.679 4.927 0 1 FJAF COc1ccc(/C=C/Cc2nc3cc(Cl)nc(Cl)c3[nH]2)c(OC)c1 587929727 PCNXIULSXQCZDM-ONEGZZNKSA-N 364.232 4.538 0 1 FJAF Cc1nc(COc2ccc([C@@H]3NCCc4ccc(F)c(C)c43)cc2)cs1 962141380 CCMWZUGCCNZZBB-NRFANRHFSA-N 368.477 4.713 0 1 FJAF COc1cc2c(cc1OC)[C@](C)(CCc1ccc(C)cc1)N(C)[C@H](C)C2 962630737 SSCWKEBXUANZOE-HXOBKFHXSA-N 353.506 4.737 0 1 FJAF COC(=O)[C@H]1CC[C@]2(CC1(C)C)NCCc1cccc(-c3ccccc3)c12 962670875 VKCFYYSIYIHABO-HYBUGGRVSA-N 363.501 4.694 0 1 FJAF CC[C@@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1C1CCCCC1 1857767242 FZIAYPBDSJTGFF-OAHLLOKOSA-N 353.384 4.928 0 1 FJAF Fc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1 36380645 UOCWBNXQBNGWEH-UHFFFAOYSA-N 373.387 4.777 0 3 FJAF Cc1ccc([C@@]2(N3CCOCC3)OC(C)(C)c3cccc4cccc2c34)cc1 31908515 BRLBHHZTVVFJQM-RUZDIDTESA-N 373.496 4.947 0 1 FJAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12 36176957 VVCCQOIZUNRHOM-UHFFFAOYSA-N 361.380 4.595 0 1 FJAF Cc1cccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)c1 36271108 DCCIBUPSLSMHHL-AYWYSENESA-N 369.892 4.820 0 1 FJAF COc1ccc(C(=O)N2CC[C@H](Nc3ccccc3)c3ccccc32)cc1 40914455 WHUSSDZKNZQMNX-NRFANRHFSA-N 358.441 4.899 0 1 FJAF [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1c(F)cccc1F 73389325 XJDUVFXYJLNYBZ-UHFFFAOYSA-N 370.305 4.759 0 1 FJAF Cc1cc(OCCCCN2CCCC2)nn1-c1ccc(Cl)c(Cl)c1 95553303 LUAPJOUYJPEKMR-UHFFFAOYSA-N 368.308 4.742 0 1 FJAF Clc1ccc2c(c1)C[C@H]1C[C@@H](c3ccc(Br)cc3)N2O1 96900887 RGKAKRQKZSNWRW-HOCLYGCPSA-N 350.643 4.910 0 1 FJAF Brc1ccc(Cn2ccc3nc(-c4cccs4)nc-3c2)cc1 100068215 MJZIGSVUFVWPSA-UHFFFAOYSA-N 370.275 4.922 0 1 FJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 100703357 ICOGOQGVMRSKAS-HNNXBMFYSA-N 367.474 4.898 0 1 FJAF CSc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1 102376395 RJMCOTDGXANQGQ-MVYVIFSASA-N 363.954 4.945 0 1 FJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)[C@H](OC(C)=O)C[C@@H]12 238757102 KTQALDLKCGBREQ-XTUPKSGUSA-N 374.521 4.836 0 1 FJAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(C)cnc(Cl)c2[nH]1 587012981 XARRBEADBLVXON-UHFFFAOYSA-N 354.866 4.942 0 1 FJAF Cc1c(Br)cnc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c12 587033170 GEBDGOABCZZDPT-QMMMGPOBSA-N 362.296 4.882 0 1 FJAF Clc1ncc(Br)c2[nH]c(-c3cc4c(s3)CCC4)nc12 587033609 KNQADXROAZOTRN-UHFFFAOYSA-N 354.660 4.591 0 1 FJAF Oc1nc2cc3nc([C@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc2[nH]1 587050020 OAMWANKTYVQWKW-SFYZADRCSA-N 359.216 4.723 0 1 FJAF FC(F)(F)c1ncc2nc(/C=C\c3cccc(Cl)c3Cl)nc-2[nH]1 587053601 GGALODFQDVSAOG-PLNGDYQASA-N 359.138 4.801 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587149868 NURNIDWRYMMVLJ-QGZVFWFLSA-N 352.800 4.952 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3[C@H]1CCOC1 587209492 PYQMCDDILREHEF-LSDHHAIUSA-N 355.437 4.903 0 1 FJAF COC1(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCC1 587347586 FIYMXAQRPGJWQV-FPOVZHCZSA-N 370.420 4.608 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cnc(Cl)c1Cl)O2 587379574 JHLOZHSNXXJHSV-NSHDSACASA-N 357.624 4.639 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)c3ccccc31)O2 587402914 BBAWAAPJRLTOTE-YADARESESA-N 355.437 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1C(C)C)CC2=O 587477900 VODUBNGCBLWIGF-HXUWFJFHSA-N 364.445 4.982 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccccc12 587616655 LQSDZLRUCOXKMG-SIKLNZKXSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccccc23)N1 587755625 IDYDDHGCVGWFSO-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC[C@H]2C 587818873 GDDDQBNJRASUAR-VFGMZZLHSA-N 374.297 4.948 0 1 FJAF COc1cc(C2(c3nc4ccc(Br)cc4[nH]3)CC2)ccc1C 587925294 LGLAOFWCHPKPCZ-UHFFFAOYSA-N 357.251 4.722 0 1 FJAF C[C@@H](CCNCC12CC3CC(CC(C3)C1)C2)N=c1cc[nH]c2ccccc12 653714144 BIGJAGFSKZKKGU-QZGUCNERSA-N 363.549 4.653 0 1 FJAF COc1ccc2c(c1)[C@H](c1cccc(-c3cccnc3O)c1)N(C(C)C)CC2 962095441 YREAMKIHVYVPRZ-QHCPKHFHSA-N 374.484 4.819 0 1 FJAF COc1cccc2cc3c(nc12)[C@@H](CCc1cnc2ccccc2c1)NCC3 963067126 NQDPLEFDCIYZMK-OAQYLSRUSA-N 369.468 4.611 0 1 FJAF Oc1ccc2c(c1)[C@H](c1cccc(OCc3ccc(Cl)cc3)c1)NCC2 963343801 WTMCRJLUJZXUCD-QFIPXVFZSA-N 365.860 4.860 0 1 FJAF O=C(O[C@@H]1CCCc2nc(Nc3ccc(Cl)cc3)sc21)n1ccnc1 1857774979 QSPCRTIEICPBDS-CQSZACIVSA-N 374.853 4.799 0 1 FJAF CN(C)C[C@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2sccc21 6995951 YKADOOIFTVIBPM-CEQIKUNHSA-N 373.587 4.958 0 1 FJAF COc1ccc2[nH]c(C(=O)c3cccc(OCc4ccccc4)c3)cc2c1 13470979 PLAHFPPLXFZKRU-UHFFFAOYSA-N 357.409 4.987 0 1 FJAF CCCCc1nn(-c2ccc(F)cc2)c2c1CCN(c1ccccc1)C2=O 13779820 KWAUYTZZYGXMBY-UHFFFAOYSA-N 363.436 4.557 0 1 FJAF CC(C)CNC(=O)/C=C/C=C/CCCCCCc1ccc2c(c1)OCO2 14685594 DMIKQRDDTCGOLE-VTKKNFPDSA-N 357.494 4.793 0 1 FJAF endogenous,in-man Clc1cccc2c1Oc1ccccc1[C@@H]2SCCN1CCOCC1 25966604 FJBRKXRYYHUCNX-IBGZPJMESA-N 361.894 4.601 0 1 FJAF c1ccc(COc2ccc(Nc3nccc(-c4nccs4)n3)cc2)cc1 34055198 ZTCGUIOUQYZKQL-UHFFFAOYSA-N 360.442 4.923 0 1 FJAF CC[C@@]1(c2ccc(Br)cc2)CN(C)Cc2sc(C)cc21 40632505 UOOCESXSMDYWAS-KRWDZBQOSA-N 350.325 4.961 0 1 FJAF CCCCn1c2c(c3ccccc31)C[C@](CCCC)(C(=O)OC)N=C2C 64622123 YIOMPKXWOQFCLH-JOCHJYFZSA-N 354.494 4.909 0 1 FJAF Fc1cccc(Cl)c1-c1cc(-c2ccc(Cl)cc2)nc2ncnn12 72107124 LPUZYYFCZNVENB-UHFFFAOYSA-N 359.191 4.904 0 1 FJAF Cc1ccncc1-c1nc(C)c2c(C)nc3ccc(C(F)(F)F)cc3n12 73197286 KDFDPGGJRRRULO-UHFFFAOYSA-N 356.351 4.889 0 1 FJAF CC[C@@H](Cc1cc(C)ccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251345 PUCKHCPITYMJIM-FQEVSTJZSA-N 359.535 4.528 0 1 FJAF Cc1ncsc1C(=O)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116816522 OINQZFVFJYCDQI-UHFFFAOYSA-N 364.474 4.644 0 1 FJAF O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCCCC4)c3)ccc12 169699707 UDVBIKIZAPQBIF-UHFFFAOYSA-N 359.425 4.651 0 1 FJAF Cc1c(Br)ccc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586899128 WWBZCAABINWUST-UHFFFAOYSA-N 357.251 4.885 0 1 FJAF Brc1cc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2cn1 587022961 ASKOREADFCNLJC-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF Clc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587030096 XHYCLZUQSXRRBL-UHFFFAOYSA-N 365.849 4.738 0 1 FJAF FC(F)(F)c1nc2ccncc2cc1-c1nc2cnc3ccccc3c2[nH]1 587116432 WRPXTWAWJBZOIQ-UHFFFAOYSA-N 365.318 4.740 0 1 FJAF CCCOc1ccc(CC)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440445 GZLXOUGEYQWEIO-VGSWGCGISA-N 352.430 4.535 0 1 FJAF C/C(=C\[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587531509 LKVLRXATPNTAJZ-UVEFMEQMSA-N 367.514 4.953 0 1 FJAF CCn1ncc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c1C 587628858 SDPCWZSLTQEDKW-UHFFFAOYSA-N 373.737 4.897 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)cc(OC)c4[nH]3)ccc2c1 587936202 ZVKPCZAUOQWHPM-CYBMUJFWSA-N 362.429 4.894 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](CC)O[C@@H]3CCC[C@H](C)C3)[nH]c2c1 587951836 IYOSDYHUZXJTKE-GMBSWORKSA-N 358.482 4.715 0 1 FJAF C[C@@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccc(Cl)cc1 1857643782 NTROMQQIVDDQPC-ZIAGYGMSSA-N 369.896 4.847 0 1 FJAF COc1cccc(NC(=O)[C@@H](Nc2ccccc2)c2ccccc2F)c1 206049545 DLDBYOXRZNXNKS-FQEVSTJZSA-N 350.393 4.626 0 3 FJAF CC(=O)O[C@H](C[C@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@H]31)c1ccoc1 5808749 DZAYTXGDCMMRGZ-RJBGFPHESA-N 372.461 4.590 0 1 FJAF CC(=O)Nc1ncc(SCc2ncc(CC3CCCCC3)o2)s1 12354871 LOQNAQWIGMNXII-UHFFFAOYSA-N 351.497 4.505 0 1 FJAF CC(=O)O[C@@H](Cc1ccoc1)[C@H]1[C@]2(C)CC[C@H]3C(C)(C)CCC[C@@]31CO2 13457326 HOUBMYFLCZPEKT-YOWRRBNZSA-N 360.494 4.765 0 1 FJAF COc1ccc2c(c1)O[C@H]1c3c(cc(O)c(CC=C(C)C)c3OC)OC[C@@H]21 14819618 XJMQUTIYKFBASW-KSFYIVLOSA-N 368.429 4.528 0 1 FJAF biogenic CC(C)CCNc1nc(NCCCc2ccccc2)c2cc(O)ccc2n1 45324586 DZPJODDRJDUKLY-UHFFFAOYSA-N 364.493 4.838 0 1 FJAF C[C@@]1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1 45484404 VLVSLDXTZFTCPB-HNNXBMFYSA-N 352.615 4.684 0 1 FJAF O=C(O)C1=Cc2c(ccc(Cl)c2Oc2ccccc2)O[C@@H]1C(F)(F)F 66260039 HVQDIKGNRQZLDX-HNNXBMFYSA-N 370.710 4.924 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169370078 LKCRMGJZGXVDFH-GSDGSMBQSA-N 357.538 4.515 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(OC(C)C)cc2[nH]1 586915137 BCKWYEVCNLDMCU-JTSKRJEESA-N 364.445 4.567 0 1 FJAF Cc1cc(Cc2nc3c(C)cnc(Cl)c3[nH]2)ccc1Br 586978176 YMFJVCAZIJANTI-UHFFFAOYSA-N 350.647 4.581 0 1 FJAF Fc1ccc(/C=C\c2nc3ccc(F)c(Br)c3[nH]2)c(F)c1 587151309 YGOXAKCFTKGUEU-KXFIGUGUSA-N 353.141 4.913 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C)c(C)cc4[nH]3)c2)c1 587231853 GNYIFKLJENUMDT-UHFFFAOYSA-N 369.468 4.797 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccccc3C2)[C@H]1c1ccc(F)cc1 587353877 PHDUCYXYJVKUPU-LADGPHEKSA-N 374.411 4.818 0 1 FJAF COc1ccc([C@@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587386251 UWFJLRDQERRKNU-OAQYLSRUSA-N 357.425 4.632 0 1 FJAF COc1ccc(-c2ccccc2)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400736 SQDMCPLZRWZQQA-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(C=O)cc3)cc1)O2 587404001 CAKWQVZSIJULMQ-QFIPXVFZSA-N 357.409 4.763 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1c(F)cccc1Cl)[C@@H](C2)C3=O 587422313 CYBZJJPPVQNIHD-UWPRPCKVSA-N 372.823 4.798 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(C)C)cc1Cl)CC2=O 587459663 CNWJLPWHNGFQSH-IBGZPJMESA-N 359.853 4.771 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(C(=O)c1ccc(Cl)cc1)CC2=O 587462023 MPSZJLNLFKYCMT-HXUWFJFHSA-N 358.821 4.605 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(N)cc1)CC2=O 587473379 SXVDWWZWTTVDPG-DEOSSOPVSA-N 373.452 4.836 0 1 FJAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)cccc21 587496259 ARIITGOMUYTPQJ-SFHVURJKSA-N 366.848 4.812 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(F)ccc3F)c2c1 587642817 QNBSIAFOYHKKMG-LLVKDONJSA-N 371.383 4.977 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2)N1 587698304 NUOLLLBODHVYGZ-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(C)c(Br)cc3[nH]2)c1 587930481 IPNKYCHPKZZAKV-NSHDSACASA-N 359.267 4.989 0 1 FJAF COC(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1OC 587968365 MZBIBRBLVQKEJP-RAXLEYEMSA-N 358.397 4.682 0 1 FJAF COc1ccc([C@@H]2[C@@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822822 RTXIBZMHCIEZDT-NFBKMPQASA-N 356.425 4.669 0 1 FJAF CCCc1cc(=O)oc2c3c(c(C(=O)[C@H](C)CC)c(O)c12)OC(C)(C)C=C3 14584380 UOITWFKGLACCRG-GFCCVEGCSA-N 370.445 4.864 0 1 FJAF biogenic CCCc1nc2cccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 26267440 LWMRUTOZBJPNBI-UHFFFAOYSA-N 371.440 4.797 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)CCN=C2C(=O)c1ccccc1 27558233 YHGDQDJLCWJLTP-UHFFFAOYSA-N 371.436 4.502 0 1 FJAF Cc1cc(CCCOc2c(C)cc(-c3noc(C4CC4)n3)cc2C)on1 28770431 SDNUNQZMNBLHPI-UHFFFAOYSA-N 353.422 4.539 0 1 FJAF c1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1 34283175 AJEDNNGUGQZSPH-UHFFFAOYSA-N 368.444 4.971 0 1 FJAF Cn1ccc(C2=CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 36322749 MWFGFJCWGXXGTB-JAWHIUDQSA-N 352.522 4.737 0 1 FJAF Oc1ccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)cc1 39233831 KTTKNWVMAWKNFO-DEOSSOPVSA-N 364.533 4.626 0 1 FJAF CCCCn1c2ccccc2c2cc(CNCCCN(CC)CC)ncc21 53313754 RRCRAUDLHDNLNB-UHFFFAOYSA-N 366.553 4.811 0 1 FJAF COc1ccc2c(c1)OC[C@H]1c3cc(OC)c(O)c(CC=C(C)C)c3O[C@@H]21 59205021 VTOUUGNAMKWJPH-UWJYYQICSA-N 368.429 4.528 0 1 FJAF biogenic CNc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CCCF 71316560 YGQWFAZFHVPQCH-RRMPHLOHSA-N 373.541 4.756 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccsc2)C2=C(O)CCCC2=N1 103539634 YBAVLIBMDXYPPG-GOSISDBHSA-N 356.491 4.569 0 1 FJAF FC(F)(F)c1ccc(Nc2ccc3c(C4CCNCC4)c[nH]c3c2)cn1 144962617 OHKNLFDNNMGDOH-UHFFFAOYSA-N 360.383 4.792 0 1 FJAF Cc1ccc2c3c(cc(-c4nn(C)cc4Cl)nc13)-c1ccccc1C2=O 586993657 PGCFKKCOCYDGGX-UHFFFAOYSA-N 359.816 4.809 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cc(F)cnc2[nH]1 587121411 BMKCRICSGUVQJX-UHFFFAOYSA-N 362.286 4.519 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cccc(F)c2[nH]1 587191584 MOGYSRATAWIXKL-QGZVFWFLSA-N 355.413 4.658 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587341402 WMGRTOMIECOZHC-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF CCCOc1c(C)cc(C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442157 OTTOWCRQEAZHJB-OPAMFIHVSA-N 352.430 4.590 0 1 FJAF CC[C@@H](C)c1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442755 LJHCWNCCYOLGJG-LPCJOIQWSA-N 352.430 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)nc1Cl)CC2=O 587460751 JNTRIRHFYTWSKJ-AWEZNQCLSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(F)cc1)CC2=O 587472475 RJMQJPJRNBOHJZ-NRFANRHFSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)([C@@H](C)c1ccc(OC)cc1)CC2=O 587476760 FSLURDBVTBPUKH-FPTDNZKUSA-N 354.446 4.881 0 1 FJAF Cc1noc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587526454 POBHFFUVWNXXAZ-FQEVSTJZSA-N 360.413 4.630 0 1 FJAF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccs1 587530701 GVLCZIKPTJGHSN-LJQANCHMSA-N 364.470 4.734 0 1 FJAF C[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569295 PVTPKOWJCPXIHO-NQIIRXRSSA-N 368.335 4.547 0 1 FJAF Cc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570740 XMXWXZQKVUEMJK-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615940 YEBHZJMICVXKLD-LPHOPBHVSA-N 370.451 4.879 0 1 FJAF O=C(Cc1nc(-c2ccc(F)c(F)c2)cs1)Nc1ccc(Cl)cc1 587921921 BUPQUWIUJHERCH-UHFFFAOYSA-N 364.804 4.923 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@@](CCc2ccccc2)(C2CC2)N1)C(F)(F)F 962759652 CNIGMENIFOXQIP-PZJWPPBQSA-N 373.418 4.570 0 1 FJAF O=C(O)c1cccc2c1CCN[C@H]2c1cc(F)ccc1Oc1ccccc1 963131291 NIEKJHMIMYWORI-OAQYLSRUSA-N 363.388 4.551 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]21CCCc2cc(SC)ccc21 963269024 DIDUYRTUFHMVEJ-FQEVSTJZSA-N 359.922 4.796 0 1 FJAF COCCCOc1ccc(Nc2nccc(-n3ccc4ccccc43)n2)cc1 1857540648 GFCCXCSHAHASLL-UHFFFAOYSA-N 374.444 4.579 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@H]1Cc1cccc(O)c1 1857631508 CXKQYZABCCJLND-LJQANCHMSA-N 350.458 4.949 0 1 FJAF c1ccc(Cn2ncc3cc(Nc4ncnc5ccccc45)ccc32)cc1 840869 FIBNGENIDQNCFP-UHFFFAOYSA-N 351.413 4.771 0 1 FJAF in-vivo CCCC/C=C(C)/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 3987108 RWAYWKZUQOPYIW-AXKMAGBMSA-N 355.478 4.611 0 1 FJAF CSc1sc(C(=N)N)cc1-c1csc(Nc2ccccc2F)n1 27994614 ZUWAYNCFFNVIBJ-UHFFFAOYSA-N 364.496 4.760 0 1 FJAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)CC1CCCC1 43204910 DKVILNAQMBVZGF-RXVVDRJESA-N 369.553 4.577 0 1 FJAF O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(C2CCCCC2)CC1 45497788 GANOILNBYLACOO-UHFFFAOYSA-N 372.896 4.691 0 1 FJAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccoc3)cc12 49525769 NXBUNGONSJSJHG-UHFFFAOYSA-N 361.401 4.934 0 1 FJAF CCCN(C[C@H](O)CC/C=C(\Cl)c1nc2ccccc2o1)C(C)C 84633944 IETQRJPZMCDISP-AVIKPIRVSA-N 350.890 4.669 0 1 FJAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc(C)cc2)cc1)n1ccnc1 95558685 DZTMMWMGGGEBAA-FQEVSTJZSA-N 363.461 4.724 0 1 FJAF CC1(C)[C@H](/C=C/Cl)[C@@H]1CC(=O)OCc1c(F)c(F)c(F)c(F)c1F 103216082 CPFMDEXFPXGBNE-BKIAHZASSA-N 368.729 4.840 0 1 FJAF COc1ccc(NC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1 169309115 SLPPRPLXTJJDSU-UHFFFAOYSA-N 367.352 4.968 0 1 FJAF Fc1ccc([C@@H](CC2CNC2)Oc2ccc(OC(F)(F)F)cc2)cc1F 299840468 XCSFWQOZLCRJAK-QGZVFWFLSA-N 373.321 4.593 0 1 FJAF CCCCOc1cc2nc([C@H]3CC[C@@H](O)CC3)[nH]c2cc1Br 586899814 SKSOCGAXHWFPDB-TXEJJXNPSA-N 367.287 4.523 0 1 FJAF O[C@H]1C[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586903429 OTXFUQILIRXVME-DOMZBBRYSA-N 350.365 4.744 0 1 FJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nccc4[nH]3)c21 587031502 SCQICNBFMPGTPF-NSHDSACASA-N 350.447 4.623 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Cl)ncc2[nH]1 587044511 GWUBTXJRMANKHW-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF CCOC(=O)[C@@H](C)c1nc2c(C)ccc3c2c(c1CC)-c1ccccc1C3=O 587097390 MDYZNYQXCYHJIA-AWEZNQCLSA-N 373.452 4.984 0 1 FJAF COc1cc(-c2nc3cccc(C(C)(C)C)c3[nH]2)nn1-c1ccccc1F 587155097 AJCVSZVQWPVONL-UHFFFAOYSA-N 364.424 4.861 0 1 FJAF Cc1cc(Cl)cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168213 FWQDHBKVKWNUNS-UHFFFAOYSA-N 367.815 4.789 0 1 FJAF CC(C)[C@@H](c1nc2ccc(F)cc2[nH]1)N(C)C(=O)OCc1ccccc1 587197597 JLYHJTPSXDBLMK-SFHVURJKSA-N 355.413 4.668 0 1 FJAF N=c1cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc2[nH]1 587254682 WWCIEDNMUNDGIA-UHFFFAOYSA-N 373.641 4.607 0 1 FJAF N[C@@H](Cc1nc2c(Cl)cnc(Cl)c2[nH]1)c1cccc2ccccc12 587258734 JTPDUNLFGPXOEL-AWEZNQCLSA-N 357.244 4.660 0 1 FJAF CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336961 LFFTZRXAHLLRPT-RBBKRZOGSA-N 363.388 4.591 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCC(C)CC3)cc1)O2 587397237 YLYUBZUUMCRZQE-HSZRJFAPSA-N 364.489 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(Cl)c1F)CC2=O 587465982 INGTYPCKBOIFEB-HNNXBMFYSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c(F)ccc(Cl)c31)CC2=O 587472903 WNKQTWQXAHSHNO-HXUWFJFHSA-N 360.812 4.944 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccc(F)cc3)on1)CC2=O 587473279 ZIOCJKZPYNNGFB-FQEVSTJZSA-N 367.376 4.845 0 1 FJAF O=C1C[C@@H](c2cccc(Br)c2O)Oc2c1ccc1c2CCCC1 587498076 FHXZEBCUGZJWKK-KRWDZBQOSA-N 373.246 4.740 0 1 FJAF O=C1C[C@@H](c2ccc(Cn3ccnc3)cc2)Oc2c1ccc1c2CCCC1 587515394 MAAKMCJVRCPJNN-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF CC(C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600556 OIOUGSUIQLMOLW-XUZZJYLKSA-N 374.436 4.991 0 1 FJAF CC(C)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603804 PQFDLOSDSMFKQK-VQPPSCEASA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Cl)N1 587698852 VSNQQVRTSQOGTK-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF Cc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587725613 FKYRMZDOTGGWRH-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF CC[C@@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587733810 SLKCZWNSESFTOY-VOJFVSQTSA-N 366.249 4.915 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2)N1 587737108 WNZXDFOFMUOSOA-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF CC[C@@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811830 HTXMIZDCNJDNPD-DJJJIMSYSA-N 362.286 4.970 0 1 FJAF CC1=COc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587840955 KZMZGAXNPXZMOI-BLVKFPJESA-N 374.253 4.662 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587952727 WFXOCUYGNAMSCC-NJSLBKSFSA-N 356.445 4.934 0 1 FJAF COC(=O)c1cccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955479 KJTQJJDSLLXKNZ-IBGZPJMESA-N 356.425 4.724 0 1 FJAF Cc1csc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)c1 962645165 SDPABCCQDXOGGX-OFNKIYASSA-N 360.526 4.893 0 1 FJAF CCOc1ccc([C@H](C)N2CCC(n3c(O)nc4ccccc43)CC2)cc1 1857760653 ZOJROTRDOQRJLC-INIZCTEOSA-N 365.477 4.539 0 1 FJAF Cc1cc(O)cc(Oc2cc(O)cc(C)c2[C@@H]2OCc3cccc(O)c32)c1 2356787536 BLTBIJMGHJXIHW-QFIPXVFZSA-N 364.397 4.832 0 1 FJAF C[C@@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCc3ccccc32)CC1 2382244488 DWFVJURPSPRRPG-INIZCTEOSA-N 368.908 4.647 0 1 FJAF CC(C)=CCc1c(OC(=O)NC2CCCCC2)ccc2ccc(=O)oc12 2382248712 UXEYMLYWRMGJPL-UHFFFAOYSA-N 355.434 4.723 0 1 FJAF Cc1cccc(NC(=S)NC2C[C@@H]3CCC[C@@H](C2)N3CC(C)C)c1C 1369542 HLNWXEIGPRHJFB-OALUTQOASA-N 359.583 4.631 0 1 FJAF COc1ccc(-c2ncn3c2c(=O)n(C(C)C)c2c(Cl)cccc23)cc1 13758867 MTPIJSIMBVBZNN-UHFFFAOYSA-N 367.836 4.559 0 1 FJAF Cc1nc2cccc(F)c2c(N)c1CS[C@]1(C(F)(F)F)CCCO1 13864118 BOGDGZBEROWVBB-HNNXBMFYSA-N 360.376 4.567 0 1 FJAF Cc1n[nH]c2ccc(-c3cncc(OC[C@@H](N)CC4CCCCC4)c3)cc12 14957872 NXCVSEMGRNAQQP-IBGZPJMESA-N 364.493 4.610 0 1 FJAF CCC(CC)Sc1nc2cc(Cl)c(N3CCN(CC)CC3)cc2[nH]1 29050071 SFAFOFYAVJUENM-UHFFFAOYSA-N 366.962 4.639 0 1 FJAF Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2cc(C)c(F)c(C)c2)c1 29483956 ZVQCWCXKCFTMCM-ASIGSXEYSA-N 368.448 4.806 0 1 FJAF C[C@]1(c2cccc(Br)c2)ON=C(c2ccc(Cl)cc2)O1 45484407 VLVSLDXTZFTCPB-OAHLLOKOSA-N 352.615 4.684 0 1 FJAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccccc1Cl 82149303 FASZLLAYFQRGSJ-FQEVSTJZSA-N 350.805 4.732 0 1 FJAF O=C(O)c1cc(-c2ccc(Oc3cccnc3)cc2)nc2ccc(F)cc12 96923843 CWENYNCMJFDKKG-UHFFFAOYSA-N 360.344 4.926 0 1 FJAF c1ccc2c(c1)CN(c1nc3cc(-c4ccc5nccn5c4)ccc3o1)C2 140473141 HINAWTMLKCONKH-UHFFFAOYSA-N 352.397 4.663 0 1 FJAF CC(C)=CCO[C@H]1CC[C@@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 299835676 MKGFXAOQGXOQPM-HBSVTFQGSA-N 360.542 4.548 0 1 FJAF 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COc1cc2c3c(c1)O[C@@]1(CCCSc4ccc(Cl)cc41)[C@@H](C2)C3=O 587454527 YDBAQXIYZHESOM-MGPUTAFESA-N 372.873 4.877 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)F)nc1)CC2=O 587463446 AJHOJPQRZMHFFQ-GOSISDBHSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-n1ccnc1C)CC2=O 587469320 CPKAXVRKERGCST-NRFANRHFSA-N 362.429 4.545 0 1 FJAF Nc1cc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504199 QEUKXJFPENPXBX-GOSISDBHSA-N 372.262 4.617 0 1 FJAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587522717 HIHNIONGROMRLT-HXUWFJFHSA-N 352.430 4.598 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(C(F)F)c2)N1 587715739 IHIINKPDAHNPSW-AYVTZFPOSA-N 371.200 4.544 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587818534 ILOPIXBKEZRLNQ-GZFAXTPVSA-N 350.275 4.550 0 1 FJAF Cc1cc(O)cc(C)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587833179 MCYOOOWUGGGRFL-ADLMAVQZSA-N 364.258 4.534 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842846 GPDYRWPDBXAHHD-BCTVWOGZSA-N 354.288 4.890 0 1 FJAF CC(C)(C)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873995 RQKQDVXLDJQMRW-UHFFFAOYSA-N 366.392 4.812 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3ccc(C(C)(C)C)nc3[nH]2)cc1OC 587927811 XUFPHTSTKMMTOU-CYBMUJFWSA-N 353.466 4.619 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc2cc(NC(C)=O)ccc2n1 963237737 ZHBLCLBYCMVPDH-UPCLLVRISA-N 373.500 4.939 0 1 FJAF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(CCC3CCCC3)c(O)c21 1857652070 UJXNYBIJNNFBDK-IBGZPJMESA-N 368.429 4.633 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356770266 FXXHLWMDAHXVCT-KLLDFSPUSA-N 356.598 4.810 0 1 FJAF CC[C@H](CO)Oc1cc(NCc2cccc(F)c2)c2ncn(C(C)C)c2c1 61948962 WDEYCYHVZGOHLD-QGZVFWFLSA-N 371.456 4.518 0 3 FJAF CCCCC[C@@H](C)OC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398987 AMXGGSMKASENPO-QAFNJYRZSA-N 352.515 4.967 0 1 FJAF CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 28571965 ZKMMUOFYONDNCU-OALUTQOASA-N 363.567 4.531 0 1 FJAF COc1ccc2c(c1)CNc1c(Nc3ccc(F)c(Cl)c3)ncnc1O2 28572466 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DNFFBSMQAJSTQQ-UHFFFAOYSA-N 371.893 4.971 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc(C)c3[nH]2)cc1 586887240 HQUWMYPMSCYICD-YVEFUNNKSA-N 359.267 4.779 0 1 FJAF CCCC(Br)(CCC)c1nc2cc(OC)cc(OC)c2[nH]1 586971566 UQWMGVZNTFMRCG-UHFFFAOYSA-N 355.276 4.771 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(F)cc(F)c2[nH]1 587044413 AXABJSRGJIOOLM-UHFFFAOYSA-N 359.159 4.832 0 1 FJAF COc1cc(N)ccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105189 RXBARQPZWWGJOE-UHFFFAOYSA-N 352.393 4.704 0 1 FJAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160929 IODFNYVYJBEETM-UWVGGRQHSA-N 366.621 4.784 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc3ncccc3c2[nH]1 587201832 XCZXIYTUIFQVRI-UHFFFAOYSA-N 368.481 4.692 0 1 FJAF Ic1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587214118 WNNQEMPLYOHAET-UHFFFAOYSA-N 357.194 4.605 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587235395 LAANHUKIJFXFAC-ZWNOBZJWSA-N 367.852 4.906 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C(=O)O)CC3)c1 587367380 WLWFNNCQASVGRH-CQSZACIVSA-N 373.408 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(OC)c(OC)cc1C)CC2=O 587477635 HUJNLYODCGIRIV-JOCHJYFZSA-N 370.445 4.551 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC2(CCC2)Oc2ccccc21 587483598 FYBQTCDHEDJTIN-QHCPKHFHSA-N 364.441 4.911 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1O 587497677 KKMPAWDPNXYJMN-QGZVFWFLSA-N 358.821 4.640 0 1 FJAF CC(=O)[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500613 MLGVMJIRUJRHNY-NRFANRHFSA-N 354.833 4.669 0 1 FJAF C[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600323 ANXZMZPEGNPQRM-QPPBQGQZSA-N 372.420 4.758 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587631909 LVOGQZOHFMBHMO-ZDUSSCGKSA-N 368.836 4.577 0 1 FJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587783813 ARSAEYPZQONVKY-OLZOCXBDSA-N 361.228 4.813 0 1 FJAF Clc1ncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2[nH]1 587784315 PVUMKNJPGHOXRA-DHZHZOJOSA-N 362.820 4.707 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]2c2ccccc2)N1 587818437 DEMWOCPWGXOQTI-YFROIQMUSA-N 360.270 4.895 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cnc2ccccc2c1 587868870 WDLRYNSNOSWDKS-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@H]1c1ccc(C)cc1 587871950 QQERUDHOHLCDOK-RBUKOAKNSA-N 364.420 4.840 0 1 FJAF C/C(=C\c1nc2cc(I)cnc2[nH]1)C1CCCCC1 587966346 CQTJZLNCZIRMAY-JXMROGBWSA-N 367.234 4.546 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]31CS[C@H](c2cccs2)C1 963057179 MJKTZNJJCJOSIN-FXAWDEMLSA-N 368.527 4.524 0 1 FJAF Cc1ccc([C@]2(c3ccc(C(C)C)cc3)NCCc3ccc(O)cc32)cn1 963342644 QYLHBCHUCMPQAQ-DEOSSOPVSA-N 358.485 4.657 0 1 FJAF NC1=C[C@@]2(C[C@H](c3ccc(Cl)cc3)C1)NCCc1cccc(Cl)c12 963381166 QYFYDAGGGQJUTQ-FOIQADDNSA-N 359.300 4.755 0 1 FJAF COc1ccc(-c2c(C)cccc2NCCCn2cnc(C)c2)cc1OC 1772656186 HYRBMCFTCWTMTM-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF Cc1ccc(C(=O)OCc2c(OC(C)C)ccc3c(C)cc(=O)oc23)cc1 1857536141 IGKVLGRLGQOJNF-UHFFFAOYSA-N 366.413 4.554 0 1 FJAF Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cc1C 3814679 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LBMGIMUIJQKLEE-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF FC(F)(F)Oc1cccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084842 VDLZNTDCTQBKRQ-UHFFFAOYSA-N 353.731 4.590 0 1 FJAF O=C(O)c1cccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095450 ZLKVIYFYEBNNSG-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF N=c1cc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c2c[nH]1 587141257 OPSSDYNUUJARPX-UHFFFAOYSA-N 368.412 4.608 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2SC[C@@H]1C 587412412 BZKLWCRKNCSJAZ-JEOXALJRSA-N 359.878 4.833 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587440941 BZPKPGOVTDCLTR-GAJHUEQPSA-N 366.457 4.664 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O 587445924 PXWPQGVJJLPEQJ-OFVILXPXSA-N 368.432 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(OC)ccc13)CC2=O 587487912 YSSWATQIOYUIEK-QFIPXVFZSA-N 365.429 4.715 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1O)CC2=O 587492992 ZWAZEZWXLXRVTH-XMMPIXPASA-N 374.436 4.959 0 1 FJAF C[C@]1(c2cc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591766 WXDQQCQFLLWNSV-NFBKMPQASA-N 371.392 4.751 0 1 FJAF COc1cc(C)ccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804676 CDEHZBXQAIRBOY-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF Cc1csc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587845273 DGTWIKWWRJQSQI-HWPZZCPQSA-N 354.288 4.756 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)NCC3)n1 653665400 TVUUOZAJHQCPFO-HXUWFJFHSA-N 356.473 4.910 0 1 FJAF Clc1ccc2ncc([C@@H]3c4ccsc4CCN3Cc3ccco3)n2c1 962714096 YJLGOPBETRZZED-IBGZPJMESA-N 369.877 4.790 0 1 FJAF CC(=O)OC[C@@H]1CC[C@H]([C@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(O)c21 2356475967 WWSLEIZYHDWGFE-UWWQBHOKSA-N 374.477 4.997 0 1 FJAF CCSc1cc(N2C[C@H](C)O[C@@H](C)C2)nc(-c2ccccc2Cl)n1 631239 RWIWHLCQBPJWNF-STQMWFEESA-N 363.914 4.523 0 3 FJAF C[C@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)C1 72138607 KJJLZXFTIQHXNU-JKSBSHDWSA-N 368.521 4.901 0 3 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 27421557 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4.663 0 1 FJAF biogenic C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncc(N)c1 141038765 WBFJPWZOHUHGJC-VJLLXTKPSA-N 364.533 4.981 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1CSCCc1ccccc1 169360067 ZLEMKOGTMZQMLN-JPLSLVIRSA-N 374.546 4.957 0 1 FJAF Cc1noc(C)c1-c1cc([C@@H](O)C2CCCC2)c2nc(C3CC3)[nH]c2c1 219268604 QMXGHJWYWHBEKK-FQEVSTJZSA-N 351.450 4.936 0 1 FJAF COc1ccc(C(=O)O[C@H]2C=C(C)CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 238782636 FWEXPIFVUNZITF-PABCKOPISA-N 372.505 4.764 0 1 FJAF O=C1Cc2ccccc2N1CCCCCCCN1CCc2ccccc2C1 299833770 WKTGIDGGEZOBFF-UHFFFAOYSA-N 362.517 4.585 0 1 FJAF CCCCC1CCC(c2nc3ccc(N4CCN(C)CC4)cc3[nH]2)CC1 586883272 AVIBSXWWFITRBG-UHFFFAOYSA-N 354.542 4.779 0 1 FJAF O[C@H]1C[C@@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586900435 CBNMLFKWGFOZBW-YGRLFVJLSA-N 368.742 4.684 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2ccc(C(F)(F)F)cc2[nH]1 586964300 XLHIBCSKSFDMMI-GFCCVEGCSA-N 368.384 4.629 0 1 FJAF Fc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1F 587042023 RKBQFJIVVARFAI-UHFFFAOYSA-N 364.442 4.899 0 1 FJAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cccc(Cl)c2[nH]1 587120546 OHMGEUCRONHCLS-UHFFFAOYSA-N 354.641 4.644 0 1 FJAF Cc1cc(Br)c(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1F 587137798 LSSVMGGIOSSCIP-UHFFFAOYSA-N 354.610 4.797 0 1 FJAF N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F 587155687 KBISFFRXNHKRAO-MGPLVRAMSA-N 369.749 4.716 0 1 FJAF Fc1cc(Br)cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587160993 INTPACUOZUWIOC-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF C[C@@H]1c2nc3cccc4c3c(c2C[C@H](C(=O)O)C1(C)C)-c1ccccc1C4=O 587207315 RJAQHPIZJKSJAL-SJKOYZFVSA-N 371.436 4.833 0 1 FJAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(F)c(F)c(F)cc3[nH]2)cc1 587243109 ALLNLRATZGDPNT-UHFFFAOYSA-N 367.330 4.900 0 1 FJAF CCOC1=C[C@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351443 MUWDGWJETIWWOH-IRLDBZIGSA-N 368.404 4.733 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(C)cc(Br)cc1C)O2 587375972 GEZMYGVNIHVTFO-INIZCTEOSA-N 360.251 4.663 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccc(F)c1)O2 587385945 WGYLTHJEAHYKRK-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC3CC3)cc1)CC2=O 587482693 VDDGSFBUSNBKHR-NRFANRHFSA-N 352.430 4.840 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)Cc1ccc(OC)cc1)CC2=O 587484234 XGWIFIAQKSCYFI-SZNDQCEHSA-N 354.446 4.566 0 1 FJAF O=C1C[C@H](c2cnc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 587503842 ZPDRTKDCYRMRDH-GOSISDBHSA-N 352.821 4.573 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587722506 SAJVZVVPESDVPS-HUTHGQBESA-N 370.212 4.798 0 1 FJAF CC[C@@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587727317 NTQPRPIXRUCJDF-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF COc1cccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)c1 653689451 WVPCVWOHHQKWEM-VQTJNVASSA-N 352.478 4.547 0 1 FJAF COc1cc(N2CCN(Cc3cccc(C)c3)C2=O)ccc1-c1ccncc1 653778448 MCXUGCOUPHCXJG-UHFFFAOYSA-N 373.456 4.508 0 1 FJAF Cc1nc2ccccc2n1Cc1nnc(Nc2ccc(Cl)cc2)s1 653834535 KASBMCHEFHYBAZ-UHFFFAOYSA-N 355.854 4.642 0 1 FJAF Cc1cc2c(cc1F)[C@@](c1cc(F)c(F)c(F)c1)(C(C)(C)C)NCC2 962093078 ORAQAKBKANXTTF-FQEVSTJZSA-N 351.387 4.987 0 1 FJAF Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2)nc1 1857543993 OMPWPGGHIIKWPY-UHFFFAOYSA-N 355.441 4.511 0 1 FJAF Cc1ccccc1Cn1cc(Cn2c3ccccc3c3ccccc32)nn1 1857557427 HMKMTTKYZLTLQN-UHFFFAOYSA-N 352.441 4.791 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(O)c(OC)c(OC)c1)O2 2356648952 VDEMDVPOVCCUKO-CWTRNNRKSA-N 356.418 4.688 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([C@@H](C)COC(C)=O)cc3CC[C@@H]21 2356679777 GUJPRRSUOUAPAB-BCYJOIKISA-N 372.505 4.537 0 1 FJAF CO[C@@H]1C=C(CCC=C(C)CC[C@H]2C(C)(C)CCC[C@]2(C)O)C(=O)O1 2356788533 XCMQDKISWYFCMG-WFXMLNOXSA-N 350.499 4.526 0 1 FJAF C=CC=CCC=CCC=CCC=CCC[C@H](OC(C)=O)[C@H](C)NC(C)=O 2356819228 FAINHVIYJBLRIC-UGKGYDQZSA-N 359.510 4.804 0 1 FJAF C[C@@H](Oc1ccc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cc1)C(=O)O 2382232815 ZGPQAVBMVJZKPG-GFCCVEGCSA-N 368.820 4.503 0 1 FJAF O[C@@H](c1cc(F)cc(Cl)c1)c1nc(-c2ccccc2C(F)(F)F)c[nH]1 61927356 HOZVHOBDARTDKX-HNNXBMFYSA-N 370.733 4.970 0 3 FJAF c1ccc(CCOc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 13559970 GDQHTINQBXUUJK-UHFFFAOYSA-N 366.424 4.566 0 1 FJAF COc1ccc([C@@H](c2ccc(OCCN(C)C)cc2)c2cccs2)cc1 29130709 UGOCOACQKVQPSW-QFIPXVFZSA-N 367.514 4.877 0 1 FJAF CC(C)(C)c1cccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)c1 29545471 ZFXNZXKHKZUQMX-XMMPIXPASA-N 357.453 4.976 0 1 FJAF O=C(C[P@@](=O)(O)Oc1ccccc1)c1ccc(-c2ccccc2)cc1 40934201 NGBSIBKRDMPXBS-UHFFFAOYSA-N 352.326 4.801 0 1 FJAF Fc1ccc2[nH]c(-c3ccc4nc(-c5ccc6nc[nH]c6c5)[nH]c4c3)nc2c1 66074216 XZIGXOFRJPDHKM-UHFFFAOYSA-N 368.375 4.789 0 1 FJAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccncc3)CO2)cc1 71317161 KGHAHWPNNYYHEX-GOTSBHOMSA-N 358.485 4.551 0 1 FJAF CC[C@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82152523 LJWWHTXSCRKEFS-AWEZNQCLSA-N 370.472 4.556 0 1 FJAF Cc1ccc(C(CC[C@@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1C 95585351 RXRRTVLGWNBXDX-HSZRJFAPSA-N 373.496 4.830 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3[C@@H]1CCOC1 586992056 SFCLRQBNNKXFIS-ZIAGYGMSSA-N 371.436 4.608 0 1 FJAF O=C(O)c1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1F 587051442 XIQWOKYRTUQYLI-UHFFFAOYSA-N 355.756 4.511 0 1 FJAF O=C(O)c1cc(F)cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c12 587056207 ZWDMYMDKLQIRPF-SNAWJCMRSA-N 351.164 4.877 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@H]([C@H]1CCOC1)CC4)-c1ccccc1C2=O 587102238 UHUFFBYJFGETON-CVEARBPZSA-N 369.464 4.896 0 1 FJAF CNc1c(F)cccc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587136161 WJPFUQDIQAASED-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF CCCCC[C@@]1(c2cn(C)nc2C)CC(=O)c2ccc(O)c(CCC)c2O1 587475277 KZQMQSGLVOUIGQ-QFIPXVFZSA-N 370.493 4.828 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3ccc(OC)cc13)CC2=O 587480202 CQNQGFRMUBNCBV-QFIPXVFZSA-N 365.429 4.715 0 1 FJAF C[C@H]1CCCN(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515582 VIWVMTAYSFADAA-HRAATJIYSA-N 355.522 4.657 0 1 FJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1C(C)(C)C 587517138 HSAUYGDKTFJXBF-JOCHJYFZSA-N 352.478 4.706 0 1 FJAF CC1(C)CCC[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604249 VLKOAIGUTRRUNN-XQAUZQBESA-N 352.430 4.939 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)sc1C 587613976 QKSWPBJDSCNKEE-XLIONFOSSA-N 352.411 4.773 0 1 FJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587788016 YWPDOPVFVVCWAZ-VXGBXAGGSA-N 361.228 4.813 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cc[nH]c23)N1 587803471 QAFIKCDLBCDQHO-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCOC2CCCC2)N1 587810809 MAGZBLUPGGZDQK-DIFFPNOSSA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818568 IQZXMVJVJGDUDH-OPRWKUAOSA-N 360.270 4.967 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2c1 587965414 SGKLVUVOTOVIEY-UHFFFAOYSA-N 356.853 4.842 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2cc(C(C)=O)cc(C(C)=O)c2)N1 962958842 VBNGLSAHPBXHRA-DVECYGJZSA-N 374.484 4.761 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](CCCN(C)C)(c2ccccc2)N1 962962426 VOZYUFGGQIMUBK-YADARESESA-N 361.533 4.678 0 1 FJAF CCCCc1ccc(-c2nc(C)c(-c3cnc(NC(=N)N)s3)s2)cc1 1857635000 LHEIOTCMBNAWGF-UHFFFAOYSA-N 371.535 4.890 0 1 FJAF CC(C)CCc1cn(-c2ccc(NC(=O)Nc3ccc(F)cc3)cc2)nn1 1911578836 RDHHOCXHVIZHKQ-UHFFFAOYSA-N 367.428 4.639 0 1 FJAF COc1cccc(Cn2cnc(-c3ccccc3OC)c2-c2cccnc2)c1 95598456 FVSWJWNJAYVLQA-UHFFFAOYSA-N 371.440 4.678 0 3 FJAF O=C(Nc1ccccc1)[C@H]1C(=O)N2c3ccccc3Sc3cccc1c32 3797687 OPNFZNUANLMKDV-SFHVURJKSA-N 358.422 4.552 0 1 FJAF Cc1c(CN[C@H]2CCC[C@H](C)[C@@H]2C)c(C(=O)O)c(C)n1Cc1ccccc1 5146551 YTCVOOYFAFINKO-QYWGDWMGSA-N 368.521 4.766 0 1 FJAF COc1ccc([C@@H]2CCN(C(=O)c3ccccc3)C2)cc1OC1CCCC1 13741122 LVMPRFXDRXVQKC-LJQANCHMSA-N 365.473 4.646 0 1 FJAF Cn1c2ccccc2c2c(Nc3cccc(Br)c3)ncnc21 13803519 CNNGEQBPRIKBIC-UHFFFAOYSA-N 353.223 4.628 0 1 FJAF CCN(CC)CCCNc1c2ccccc2nc2sc(SC)nc12 27736525 WILJNYFJWBWLLG-UHFFFAOYSA-N 360.552 4.710 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(C3CCCC3)C[C@H]2C1 36289108 MJQVOFAVZVQEPV-QPPBQGQZSA-N 350.550 4.603 0 1 FJAF Fc1ccc(CN[C@@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)NC2)cc1 38322613 KQGGYEZSINLKFH-RPWUZVMVSA-N 374.503 4.868 0 1 FJAF COc1cc([S@](=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 72114966 WLSKTBMUOXUVRL-SANMLTNESA-N 368.454 4.546 0 1 FJAF CCCC[C@@H](C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316680 HOCKHWOFIRTBOW-OQNHZBEDSA-N 352.515 4.750 0 1 FJAF Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccccn2)cc1 169339867 LSYNXJVOZNVXPW-UHFFFAOYSA-N 365.820 4.548 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1CSCCc1ccccc1 169360066 ZLEMKOGTMZQMLN-ISLLPAKDSA-N 374.546 4.957 0 1 FJAF Cc1cccc(Cc2cc(O)n(-c3ccc(C)cc3Br)c2O)c1 169691408 PPHYADFQLKJESU-UHFFFAOYSA-N 372.262 4.859 0 1 FJAF Oc1cccc2ccc(CN3CCC(c4c[nH]c5ccccc45)CC3)nc12 473085080 VKGQVVWJVZDONZ-UHFFFAOYSA-N 357.457 4.801 0 1 FJAF Cc1cc(N)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987611 PCSGIRCZWXTNST-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587061690 HSCJPANAECXVMA-HNNXBMFYSA-N 374.824 4.542 0 1 FJAF Clc1ccc2ccn(Cc3nc4ccc(Br)cc4[nH]3)c2c1 587080162 LEJRNDMTMYNOOR-UHFFFAOYSA-N 360.642 4.982 0 1 FJAF COc1cccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587096243 GBWUYOGCMHHJFA-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF CCCCOC(=O)[C@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106072 HWUOPZWHTSERHX-SFHVURJKSA-N 371.436 4.819 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)cc(Br)c1)O2 587377263 LXNOWTNZSMDLNA-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1ccc(Cl)cc31)O2 587380274 SJQLRYKVDUEUTM-OAQYLSRUSA-N 366.848 4.909 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(NC(=O)OC(C)(C)C)cc1)O2 587391104 RZBVCOHTKBUKIW-SFHVURJKSA-N 368.433 4.631 0 1 FJAF CCc1cc(Br)ccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587411637 FSWHBUKFXIZRFR-BEFAXECRSA-N 373.246 4.509 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O 587420238 JFVOYASRNSAQNO-SJCJKPOMSA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(SC)cc1)(C(C)C)[C@@H](C2)C3=O 587449120 AXOKHECXJVGDGD-LAUBAEHRSA-N 354.471 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(=O)C3CC3)c1)CC2=O 587491345 XFOMFVXMQQGMKG-HXUWFJFHSA-N 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369.877 4.836 0 1 FJAF CCNC(=O)Oc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 84633829 JLZXGLWJQXBKRA-UHFFFAOYSA-N 374.440 4.982 0 1 FJAF C[C@H](Nc1nccc(Nc2cc(C3CCC3)[nH]n2)n1)c1ccc2[nH]ccc2c1 96270420 PVZRBQHDDWNKDW-ZDUSSCGKSA-N 373.464 4.865 0 1 FJAF COC(=O)Nc1nc2cc(Sc3c(C)[nH]c4ccc(F)cc34)ccc2[nH]1 299829627 UTRAZBHXNUJZGK-UHFFFAOYSA-N 370.409 4.821 0 1 FJAF Cc1cc(N)c(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587104671 UKTJCXSORHNIGQ-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF FC(F)(F)Sc1ccc(/C=C\c2nc3c(Cl)ncnc3[nH]2)cc1 587124864 MQENXONMBYMMSY-UTCJRWHESA-N 356.760 4.789 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(O)cc3)s1)O2 587408765 DGMHLIGNVVFVKJ-KRWDZBQOSA-N 351.427 4.718 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(F)F)cc1)CC2=O 587467231 RRFVVOACNFCOFQ-GOSISDBHSA-N 362.372 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC(F)F)CC2=O 587467320 SFNPFTKVXXEGFG-SFHVURJKSA-N 362.372 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(C)ccc31)CC2=O 587481238 AVFGUVVYBNHVKM-QFIPXVFZSA-N 352.430 4.686 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1-c1cccs1)CC2=O 587494541 MFBOWTTVEXIHDM-KRWDZBQOSA-N 368.458 4.513 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587780183 MYEVQVSJKDDXIA-UHFFFAOYSA-N 358.397 4.994 0 1 FJAF CCOc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801135 IWIMABGRKLFPSL-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF CN1CCc2cnn(C)c2[C@]1(c1cc(F)cc(Cl)c1)C1CCCCC1 963954792 LLEAVWVDJQJIER-HXUWFJFHSA-N 361.892 4.524 0 1 FJAF CCOC(=O)c1c(-c2ccccc2)oc2ccc3c(c12)CN(C1CC1)CO3 1772623799 YJKNHSOLAVSDIL-UHFFFAOYSA-N 363.413 4.591 0 1 FJAF COc1cc(OC)cc(-c2cnc3cnc(-c4ccc(Cl)cc4)cn23)c1 1857605645 VJNNEQPHWVIERJ-UHFFFAOYSA-N 365.820 4.734 0 1 FJAF CC(C)CN=c1[nH]c(-c2[nH]c3ccccc3c2Cl)nc2ccccc12 1857746502 AIMKFRPVQSHJBO-UHFFFAOYSA-N 350.853 4.921 0 1 FJAF CCCCOc1nc2ccc3cc([C@H]4CC[C@](N)(CO)C4)ccc3c2s1 1857771957 SGGBHKMWASYDTQ-HRAATJIYSA-N 370.518 4.586 0 1 FJAF COC(=O)c1ccc(N(C)[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 1911572482 SWXCLOGIOXUORU-NRFANRHFSA-N 359.425 4.534 0 1 FJAF COc1c(Cl)c(OC(C)=O)c(Cl)c2c1CC[C@@H](c1ccccc1)O2 2356283842 CTECTDAKIKVAIQ-ZDUSSCGKSA-N 367.228 4.994 0 1 FJAF C[C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C 4669108 JFSLYLPYWICGFK-RZQQEMMASA-N 359.473 4.851 0 1 FJAF O=C(CCc1cn(Cc2ccccc2)c2ccc(F)cc12)Nc1ccncc1 13556616 ZZWWEOZGNMFDHR-UHFFFAOYSA-N 373.431 4.795 0 1 FJAF CC(C)c1ccc(O[C@H](Cc2ccccc2C(F)(F)F)C(=O)O)cc1 13604687 ZCKZBNARBRXSCN-QGZVFWFLSA-N 352.352 4.904 0 1 FJAF NCCCCCCN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccccc2)C1 13743906 AXHDPJPTYSIEGZ-HXUWFJFHSA-N 372.940 4.555 0 1 FJAF CC(C)(C)c1ccc(-c2nccc(Nc3ccc4c(c3)OCCO4)n2)cc1 14974029 BWPOBKXLTHYPNE-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF Fc1ccc([C@H]2C[C@@H](N3CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1 28014426 HZGOJAUJCZDFAZ-FYYLOGMGSA-N 368.471 4.569 0 1 FJAF Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)ccc(F)c2F)cc1C 28382959 DNGDINHKWZIPCA-UHFFFAOYSA-N 373.424 4.563 0 1 FJAF Cc1cc(C)c(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45168754 ZOWNMACSRLEUJC-OXJNMPFZSA-N 365.439 4.885 0 1 FJAF COc1ccccc1CNc1ncc(-c2ncc(C)o2)c(-c2ccccc2)n1 82163284 KSMHHANIQJGMAW-UHFFFAOYSA-N 372.428 4.728 0 1 FJAF COC[C@@H]1CCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100916032 VPXXSTZDNSFSTJ-PKOBYXMFSA-N 368.473 4.734 0 1 FJAF COc1cccc(CC(=O)Nc2cc(-c3ccnc(Cl)c3)cs2)c1 113830294 IEYJDPAUIUNGSF-UHFFFAOYSA-N 358.850 4.653 0 1 FJAF Nc1nc(N)c2cc(Oc3cc(Cl)c(Cl)cc3Cl)ccc2n1 143993684 YIVWFBVGCLCGFQ-UHFFFAOYSA-N 355.612 4.547 0 1 FJAF Oc1ccc2nc(-c3ccccc3)nc(Nc3ccc4[nH]ncc4c3)c2c1 149375117 ABUYXWHKWYVATB-UHFFFAOYSA-N 353.385 4.622 0 1 FJAF CO[C@H]1O[C@H](OC)[C@@H]2/C1=C\C/C=C(/C)C[C@@H](O)[C@H]2[C@H](C)CCC=C(C)C 238768310 HHOTZDHXDANUOI-ZVBABJGYSA-N 364.526 4.604 0 1 FJAF C[C@@H]1CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 253690613 NDIIKLHONTYYRL-RFVSGWPVSA-N 358.888 4.692 0 1 FJAF O=C(Cn1cc(-c2ccccc2)c2ccccc21)Nc1ccc(C(=O)O)cc1 299859116 WDWBBOKIFZXNOY-UHFFFAOYSA-N 370.408 4.645 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3ccccc3)nc3ccccc23)cc1 299868154 RAHFMPBJGYLALB-HSZRJFAPSA-N 356.425 4.561 0 1 FJAF Cc1cc(Br)c2nc(C(=O)Nc3ccccc3Cl)[nH]c2c1 587061046 ZXWSOKVASKNYDK-UHFFFAOYSA-N 364.630 4.540 0 1 FJAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cnc(Cl)[nH]c-3n2)c1 587093998 YCYRRYWLBJAHMA-UHFFFAOYSA-N 366.652 4.663 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccnc3cc1F)CC2=O 587470170 FDXVSBDDGZASNX-FQEVSTJZSA-N 351.377 4.739 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)cc1)CC2=O 587476564 VMKFIPXPHZYVMC-OAQYLSRUSA-N 351.446 4.651 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(OCC)c13)CC2=O 587487192 UVVACDIFXRAABN-FQEVSTJZSA-N 365.429 4.931 0 1 FJAF Cc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615518 XUJTYZCMUCPTKG-OXQOHEQNSA-N 352.411 4.639 0 1 FJAF Oc1c(-c2ccccc2Cl)[nH]c2c1c(Br)cc1n[nH]cc12 587621877 NEEGOOKHQHRLGM-UHFFFAOYSA-N 362.614 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(N1)C1CCCC2CCC1 587819273 UYRJBMQBJFTKJO-ZLNHHVGESA-N 352.291 4.918 0 1 FJAF CC[C@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849292 SCJJWEHASRTOPK-QFYYESIMSA-N 354.288 4.838 0 1 FJAF Cc1cccc(-n2cc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)cn2)c1 963118465 FYKMTHFBIBTLFK-IBGZPJMESA-N 358.272 4.723 0 1 FJAF CCOC(=O)CCCCC[C@@]1(C2CCC2)NCCc2cccc(Cl)c21 963389596 CEYGPUZWPIPTDI-NRFANRHFSA-N 363.929 4.995 0 1 FJAF O=C(CCCc1ccccc1)O[C@H](Cn1ccnc1)c1ccc(Cl)cc1 1772596780 SGPYTNWDWFYFGF-HXUWFJFHSA-N 368.864 4.844 0 1 FJAF Cc1nc2nc(Sc3ccccc3)cnc2cc1NC(=O)c1ccccc1 1772639595 QHPKQAZTCXROEG-UHFFFAOYSA-N 372.453 4.737 0 1 FJAF Clc1ccc(Cn2cc(CSc3nc4ccccc4s3)nn2)cc1 1857599876 VMJNXXIHTOLDGH-UHFFFAOYSA-N 372.906 4.882 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](c1ccc(Cl)cc1)C(=O)N2 1857758680 IRXIYGUMMDMEFH-GOSISDBHSA-N 354.793 4.684 0 1 FJAF c1cc2cc(CNc3nc(NCC4CC4)nc4ccsc34)ccc2o1 61907102 WFSRJTAWRFLMOY-UHFFFAOYSA-N 350.447 4.872 0 3 FJAF O[C@H](c1ccc(Cl)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61926310 OCPQRRMCNFRXLY-OAHLLOKOSA-N 370.733 4.970 0 3 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 600524 CCQPFCCZWSBRTL-XSBCJWIBSA-N 361.441 4.755 0 1 FJAF O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2c1ccc1ccccc21 14968874 QXMVPKDATXGFFJ-UHFFFAOYSA-N 368.388 4.713 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 36271732 ZVYVEQWQWNSQIJ-BVOGOJNSSA-N 369.892 4.820 0 1 FJAF Cc1cc(C(=O)N2CCC[C@H]2c2ccc(-c3cccc(Cl)c3)nc2)no1 72142840 DAFZNNUZXVOGHF-IBGZPJMESA-N 367.836 4.676 0 1 FJAF CSc1nc(Oc2ccc(Br)cc2)cc(C(F)(F)F)n1 101404796 JXDXXVOIKYBQDD-UHFFFAOYSA-N 365.174 4.772 0 1 FJAF COc1cccc(-c2cc(F)c(Nc3ncc(C)cc3C(=O)O)c(F)c2)c1 103278785 SYUKBSGBXBRWGY-UHFFFAOYSA-N 370.355 4.786 0 1 FJAF Fc1cccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)c1 103289227 TXWYMDJVFHYNPR-UHFFFAOYSA-N 356.360 4.882 0 1 FJAF CO[C@@H]1C[C@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169356217 BLHLYSLDSMMWFB-CTWRKMMKSA-N 371.908 4.696 0 1 FJAF Cc1nc2cc(-c3ccccc3)ccc2n1-c1ccc(C(=O)NC2CC2)s1 169701631 KSGJBSCADBGMGN-UHFFFAOYSA-N 373.481 4.955 0 1 FJAF Cc1nc2ccc(-c3ccccc3)cc2n1-c1ccc(C(=O)NC2CC2)s1 169701632 YYMRCRSHWQIADO-UHFFFAOYSA-N 373.481 4.955 0 1 FJAF O=[S@](c1cccs1)c1c(O)c(-c2cccnc2)cc2ccccc12 299824818 DVLCPQBZOXEWCB-XMMPIXPASA-N 351.452 4.836 0 1 FJAF CNc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586989153 ZDAAYLFCZKXPHH-UHFFFAOYSA-N 352.393 4.861 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)s1 587014558 NCHYXLQHLQDQFR-MRVPVSSYSA-N 356.373 4.506 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 587062786 WARNOZLAOYSDID-HNNXBMFYSA-N 358.825 4.908 0 1 FJAF Clc1cccc(COc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)c1 587071586 PNTRRHUYGKJMMC-UHFFFAOYSA-N 371.227 4.906 0 1 FJAF Cc1[nH]c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1C(=O)O 587106013 JXOCEDIKUAFFMF-UHFFFAOYSA-N 368.392 4.756 0 1 FJAF CC(C)Oc1ccc2nc([C@H]3CCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233978 ULPLEJLNBCVZQB-LSDHHAIUSA-N 359.470 4.511 0 1 FJAF C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338660 UJEARDVIQPHKTD-IFMALSPDSA-N 366.363 4.945 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(C)ccc1O)O2 587403373 HMUZFSHWKXJGDK-HSZRJFAPSA-N 359.425 4.500 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587423438 YJVWEVAORQFNJY-KSSFIOAISA-N 366.310 4.516 0 1 FJAF O=C1C[C@@H](c2cccn2CCc2ccncc2)Oc2c1ccc1c2CCCC1 587511245 FOOSHXKSKMKSGN-QHCPKHFHSA-N 372.468 4.711 0 1 FJAF Cc1ccc([C@]2(c3ncccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514252 HXPPMKJWUCDFPQ-DEOSSOPVSA-N 370.452 4.573 0 1 FJAF CCc1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587677 HJKQBBNHVDRZGY-AVRDEDQJSA-N 363.413 4.602 0 1 FJAF CCc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603764 RMGYEAYBFJHBKG-OFNKIYASSA-N 360.409 4.832 0 1 FJAF Cc1nn(-c2c(C)[nH]c3ccc(F)c(Cl)c23)c(C)c1Br 587627801 AXNZICYCFJRIKN-UHFFFAOYSA-N 356.626 4.834 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587713132 BGMMWTXAYIQESC-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818721 IZOONKPSPUWBJM-DIHAYXGESA-N 360.270 4.967 0 1 FJAF C[C@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823553 PZTJXIUDUTXVEQ-CRTZDJKQSA-N 360.270 4.558 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(F)cc1 587860706 DOCBGEIZWLXUSM-UHFFFAOYSA-N 350.315 4.765 0 1 FJAF COc1ccc(/C=C\Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1 587931191 ZNPCHYDVEKHTJV-SREVYHEPSA-N 351.450 4.529 0 1 FJAF COc1cc(CN(C(=O)c2ccc3ccccc3c2)C(C)C)cc(OC)c1 653718495 KWNQMRWMHMLGFB-UHFFFAOYSA-N 363.457 4.908 0 1 FJAF CC(C)Cc1ccc([C@H](C)C(=O)NCCCC(=O)Nc2ccccc2)cc1 653767627 LACWJXZWFFIAMA-SFHVURJKSA-N 366.505 4.524 0 1 FJAF CCOc1cc(OCC)cc([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963092928 BBUIGALFORFZFY-CVDCTZTESA-N 369.480 4.907 0 1 FJAF COc1ccc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1O 1772611657 MLIRHRMTIQYULV-GJZGRUSLSA-N 367.272 4.755 0 1 FJAF CCCCCCN1C(=O)[C@@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 1857561448 IDONKHMTHFSOMG-LQDNNDEMSA-N 373.496 4.633 0 1 FJAF CC(=O)N[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 2356639568 VCWPWIIAWRHOAN-LYFDXPKJSA-N 361.570 4.531 0 1 FJAF COc1ccc(CN2C(=O)[C@@H](n3ccc4ccccc43)c3ccccc32)cc1 206027134 XJJAADPXZLUGDM-QHCPKHFHSA-N 368.436 4.786 0 3 FJAF CC(C)=CCC/C(C)=C/CC[C@H](CC(=O)c1cc(O)ccc1O)C(=O)O 15251945 PNXHXPQJFNVWQM-WPBGYSLVSA-N 360.450 4.844 0 1 FJAF C([CH-]Cc1ccccc1)=[N+]1CCN(C(c2ccccc2)c2ccccc2)CC1 37868023 SSKFWBSXNIWCBH-UHFFFAOYSA-N 368.524 4.622 0 1 FJAF biogenic COc1ccc(Oc2ccc(-c3nc4ccc(C(=O)O)cc4[nH]3)cc2)cc1 38444596 OEVNSTIIQXLQST-UHFFFAOYSA-N 360.369 4.729 0 1 FJAF Cc1ccccc1[C@H](OC[C@@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 40506210 BWNMYDFFSCWUHU-JXKFMYIUSA-N 367.533 4.725 0 1 FJAF COc1ccc(C(=O)Nc2ccc(C)cc2)cc1C(=O)Nc1ccc(C)cc1 95580069 FSAQHJFCZQORLX-UHFFFAOYSA-N 374.440 4.817 0 1 FJAF C[C@H]1C[C@H]2[C@@H](C1)[C@]2(c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 101511260 HHIGXPZDEMMQCT-WKJJFCIUSA-N 350.481 4.519 0 1 FJAF CCOc1cc2c(cc1O)[C@H](N=O)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 169716429 XTKQMZHRXYZSNP-RWZRNOQOSA-N 359.466 4.663 0 1 FJAF O=C1c2cc(Cl)cc(Cl)c2O[C@H]2c3[nH]c4ccccc4c3CCN12 473089843 MKEXPMWJIBYWSD-SFHVURJKSA-N 359.212 4.564 0 1 FJAF Fc1ccc2nc(CCc3ccccc3Cl)[nH]c2c1Br 587058418 GDJBCXYSBANOQT-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587127254 UTIDATWLELBGRP-QPUJVOFHSA-N 369.778 4.696 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCC1CC1)O2 587379561 VSGWULDNAHSGIU-IBGZPJMESA-N 357.837 4.726 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)cc1Cl)CC2=O 587460721 JEJFJGJXONMPHY-OAHLLOKOSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CCC)(c1cn(CC)nc1C)CC2=O 587475270 KWNAYIALXDFLAC-NRFANRHFSA-N 356.466 4.530 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C(C)=O)c3ccccc13)CC2=O 587477937 WMIVEPUJCUEQJV-OAQYLSRUSA-N 363.413 4.666 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc3ccsc3c1)CC2=O 587496027 RCQZAPRBDFDWAM-HXUWFJFHSA-N 353.443 4.835 0 1 FJAF CC[C@]1(c2ccc(OC)cc2OC)CC(=O)c2ccc3c(c2O1)CCCC3 587523506 JNOKMYYOGIAZFG-HSZRJFAPSA-N 366.457 4.853 0 1 FJAF Cc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587592412 YOHXHXWNJVJQBW-NFBKMPQASA-N 371.392 4.885 0 1 FJAF Cc1nn(C)cc1C(=O)c1c(C(F)(F)Cl)[nH]c2c(C)cc(Cl)cc12 587624554 OPAXFHUWBLLBOA-UHFFFAOYSA-N 372.202 4.691 0 1 FJAF Cc1csc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587845276 DGTWIKWWRJQSQI-QFYYESIMSA-N 354.288 4.756 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nc2ccccc2o1 587862709 GBRRFARZLWYEBR-UHFFFAOYSA-N 359.307 4.708 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)cc2)cc1OC 587928463 FOHDLGWTNAMAOW-UHFFFAOYSA-N 370.412 4.790 0 1 FJAF Cc1c(-c2ccc(N3CCC(F)CC3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772586154 OAAUOVWZTXAJTJ-UHFFFAOYSA-N 372.390 4.720 0 1 FJAF CCO[C@H](c1ccc2c(c1)OCO2)[C@H](C)[C@H](C)Cc1ccc2c(c1)OCO2 2356668445 QBTFMURMTWNANN-HLFMIMNKSA-N 370.445 4.737 0 1 FJAF COC(=O)N1CCC2(CC1)CCN(c1cccc(-c3ccccc3)c1)CC2 4238082 WHDVKHSAOXGSQB-UHFFFAOYSA-N 364.489 4.802 0 1 FJAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CCC2)cc1Cl 13744278 KYNAWJZJGXEMMS-UHFFFAOYSA-N 362.878 4.847 0 1 FJAF COc1ccccc1NC(=O)Nc1nc(-c2ccccc2)nc2ccccc12 13808626 LAQSJOKUMHQITR-UHFFFAOYSA-N 370.412 4.949 0 1 FJAF COc1ccc([C@@H]2[C@@H](C)[C@H](C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 28707421 IOTXFXWARGNLEJ-WJWAULOUSA-N 356.462 4.874 0 1 FJAF in-vivo COc1ccc([C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1OC1CCCC1 34095829 GMHDFPAAAICQGV-SFHVURJKSA-N 365.473 4.846 0 1 FJAF O=C(Nc1ccc2c(c1)CCCC[C@@H]2O)c1cc2cc(Cl)ccc2[nH]1 40380576 IHMNHFIOUCNDBW-IBGZPJMESA-N 354.837 4.833 0 1 FJAF O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2ccccc2Cl)s1 82078330 MFBLSYJESXFVIV-ZDUSSCGKSA-N 352.246 4.670 0 1 FJAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccccc3C)n2)o1 82177125 UHNPEZBAAHSYAD-UHFFFAOYSA-N 360.417 4.929 0 1 FJAF CCc1cccc2ccn(C[C@@H](O)CSCCCc3ccccc3)c12 84706255 JUPVCWAKCWOHTG-OAQYLSRUSA-N 353.531 4.931 0 1 FJAF O=C1N(c2cc3cc(F)ccc3s2)CCN1c1cnccc1C1CC1 144443897 KAWAPXUMCRMJFK-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF CCOC(=S)S[C@@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322081 VVRPBDAEQJUBNL-ZDUSSCGKSA-N 361.319 4.986 0 1 FJAF CC1=CCC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@@]21CCN=N1 254080585 WHIVRHBDIIISAP-XOPFUANDSA-N 358.482 4.527 0 1 FJAF Clc1ncc([C@H]2C[C@H]3CC[C@H]2N3)cc1-c1cccc(Br)c1 328577265 AZUKJENWDLWCOX-IIAWOOMASA-N 363.686 4.772 0 1 FJAF in-vitro CC1(C)COc2c(-c3nc4ccc(Br)c(F)c4[nH]3)cccc21 586912787 VSZGESCPKLQYGC-UHFFFAOYSA-N 361.214 4.802 0 1 FJAF CSc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587007759 QVCUHSMQXGXFHR-UHFFFAOYSA-N 359.252 4.591 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587013478 OZLQJMJRBPRGQJ-UHFFFAOYSA-N 350.447 4.844 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1F 587023849 QKFYEQSYJNGFOP-UHFFFAOYSA-N 355.341 4.971 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048292 GULARUVBDUBHER-BDAKNGLRSA-N 365.191 4.978 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587153157 WPNAUKOFHIFJQP-GHMZBOCLSA-N 362.763 4.552 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)C(C)(C)C 587203608 FTQBJTNQPHNQGX-CQSZACIVSA-N 369.868 4.837 0 1 FJAF C[C@]1(CCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356542 PZSPLVWXSCFDHI-IFMALSPDSA-N 366.388 4.875 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn3cc(C)cc(Cl)c3n1)CC2=O 587460176 HBUOWQRISIAWII-GOSISDBHSA-N 370.836 4.661 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c(C)cc(C)cc31)CC2=O 587483272 FEAOHTGLNZETGP-QHCPKHFHSA-N 366.457 4.995 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3s1)CC2=O 587493716 GGXBMQDNJFGVDT-FQEVSTJZSA-N 353.443 4.835 0 1 FJAF O=C1C[C@](c2ncc[nH]2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587522407 FEWKLXVQFLAVDN-JOCHJYFZSA-N 350.462 4.730 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)s1 587615021 UYKPTUQTDOVION-MAUKXSAKSA-N 358.802 4.810 0 1 FJAF CC(C)(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618705 QAOXQWXUUPZBQD-CSODHUTKSA-N 370.470 4.644 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715665 IJHVPXZRYLTYQB-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587728225 RNVATCKDUGXQGP-BBATYDOGSA-N 366.249 4.833 0 1 FJAF CCc1c(C)[nH]c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587795508 XWOLUHGJKSIUJA-YYSFKGJASA-N 365.290 4.719 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSC(C)(C)C)N1 587841141 PYCJGDQZAOEVOQ-MGPLVRAMSA-N 360.336 4.869 0 1 FJAF CC(C)c1cnc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587854245 QUUQPUKCBWMGKP-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4c(C)c(F)ccc4[nH]3)cc2)c1 587933339 YUJWGTBYTJHMCZ-UHFFFAOYSA-N 360.388 4.917 0 1 FJAF CCOCOc1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)cc1 962707800 OPYPFRBKZRYJCM-OAQYLSRUSA-N 369.486 4.862 0 1 FJAF CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)c2ccsc2CCN1C(N)=O 962719492 WVOVOOODCJGYER-QGZVFWFLSA-N 369.317 4.891 0 1 FJAF c1cncc(CN2CCc3sccc3[C@@H]2c2ccc3ccccc3n2)c1 963013150 QNWYTPBRYMVRJA-JOCHJYFZSA-N 357.482 4.839 0 1 FJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(O)cc5)C4)(C[C@H](N)[C@H]31)O2 2356499355 BZCXVPHXXDEZKB-KLTASPPSSA-N 369.549 4.806 0 1 FJAF COC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)OC 2356578468 SSKGFFRRTKSHDY-NHRGSCSFSA-N 360.494 4.791 0 1 FJAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@@]21C[C@@H](c2ccoc2)CC1=O 2356584579 KELOXJWCNVNKDH-RAJXRTJSSA-N 356.462 4.802 0 1 FJAF C=CC(C)=CC[C@]1(C(=O)O)[C@H](C)C[C@H](OC(C)=O)[C@]2(C)C(C)=CCC[C@H]21 2356628059 FYPQSDLATSBJTO-QOXYCXOJSA-N 360.494 4.914 0 1 FJAF Cc1cc(=O)n(Cc2ccccc2Cl)c2c1c(C)nn2-c1ccccc1 8016494 ZJTKUXCVYDMVSY-UHFFFAOYSA-N 363.848 4.506 0 1 FJAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C[C@H](C)[C@@H]2C)cc1OC 15251094 WYBOVISLCPAJFV-OKHZJLECSA-N 356.462 4.681 0 1 FJAF Oc1cccc(C[C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 22864180 NCHVKDWFWTUXRV-XMMPIXPASA-N 364.533 4.626 0 1 FJAF NCc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)Cc1cc(F)ccc1-2 27211906 QKNLFFJABLPCPO-UHFFFAOYSA-N 374.246 4.807 0 1 FJAF COc1ccc2nc(C(F)F)c3c(C)nc(-c4ccccc4Cl)n3c2n1 73163899 LDBXDKOHGLAACS-UHFFFAOYSA-N 374.778 4.853 0 1 FJAF Cc1cc(/C=C/c2cccc(C(=O)O)c2)cc(Cl)c1O[C@@H]1CCN(C)C1 84690911 AGTXXBOURCWMAR-IPLHWJFFSA-N 371.864 4.600 0 1 FJAF O=Cc1cn(-c2nc3cc(Cl)cc(Cl)c3o2)nc1-c1ccc(O)cc1 103179023 WARPYRNYUPQMNT-UHFFFAOYSA-N 374.183 4.505 0 1 FJAF O=C(O)/C=C/c1ccc([C@@H]2c3ccc(O)cc3CCN2c2ccccc2)cc1 145076396 IBGXNNAJYUSZHN-PXRHPAFUSA-N 371.436 4.642 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]12C 253635539 RDPJISLOFXUIDK-MFAUCYJDSA-N 357.538 4.515 0 1 FJAF investigational Fc1c(Br)cc2nc(CNc3ccccc3Cl)[nH]c2c1F 587061880 KQUZXJKJTGFGKK-UHFFFAOYSA-N 372.600 4.869 0 1 FJAF COc1cnc(-c2nc3cc(Cl)c(C(F)(F)F)cc3[nH]2)cc1Cl 587065021 RPPAJLBSOYFWAB-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF Cc1ccc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c2n1 587138413 HTXRFQPAUDVCDW-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF Fc1cccc([C@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587149718 AHEJLMNFVWICBL-RQJHMYQMSA-N 374.700 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1csc3c(C)nccc13)CC2=O 587495168 NRXBXEJBFVOBHG-GOSISDBHSA-N 353.443 4.969 0 1 FJAF c1ccc(CCn2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772656525 GVMQUTCTBKZHHI-UHFFFAOYSA-N 355.441 4.767 0 1 FJAF CC(=O)O[C@]1(C)CC[C@H]2O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@]2(C)O 2356600935 DVOLXISDJJZOLW-CLAROIROSA-N 364.526 4.710 0 1 FJAF CC[C@@H]1CN2CC[C@H]1C[C@H]2CN(Cc1cccs1)Cc1cccs1 2356622819 MYOIPDGUFFUSBD-SQNIBIBYSA-N 360.592 4.932 0 1 FJAF OC[C@H]1CCCN1Cc1ccc(/C=C/c2cccc(C(F)(F)F)c2)cc1 2382243950 HIHWVLSJBYTIGJ-AQDCRGGLSA-N 361.407 4.833 0 1 FJAF c1ccc(CCNc2cc(-c3ccc4ccccc4c3)nc3ccnn23)nc1 61907021 XAOOEEJHJVBWKC-UHFFFAOYSA-N 365.440 4.599 0 3 FJAF Cc1oc(-c2ccccc2)nc1CSc1nncn2c1cc1occc12 6893938 HNBPZUYIYPNXFU-UHFFFAOYSA-N 362.414 4.731 0 1 FJAF COc1ccc(COc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 12354924 CNXSQJUQZQJIOK-UHFFFAOYSA-N 363.413 4.535 0 1 FJAF COc1ccc(-c2cc(=O)c3c(OC)c4c(cc3o2)OC(C)(C)C=C4)cc1 13383652 SLFBWUSMSGUNQP-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF biogenic CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@@H](C)C1CCC1 13487176 MJDSEWRHUKQNHT-AWEZNQCLSA-N 350.466 4.734 0 1 FJAF Cn1c(-c2ccccc2Nc2cccc(C(F)(F)F)c2)n[nH]c1=S 13828129 OTVUMULVNMAVEX-UHFFFAOYSA-N 350.369 4.907 0 1 FJAF CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@@H](O)CO 26978837 JKWIKAYVEWEMLW-NMVCXTEHSA-N 364.526 4.638 0 1 FJAF CNCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21 34769840 RKYYYXKNEAHTLG-UHFFFAOYSA-N 352.478 4.808 0 1 FJAF Clc1cccc(C2=NN(c3nc4nc5ccccc5nc4s3)CC2)c1 40564587 RAFCDVRMYLTVQY-UHFFFAOYSA-N 365.849 4.507 0 1 FJAF Cc1ccnc([C@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)c1 43078114 PWCRFPCCCWITCB-GOSISDBHSA-N 351.277 4.817 0 1 FJAF CCC(=O)c1c(C)n(-c2ccc(Br)cc2)c2ccc(O)cc12 45321417 ZNXFTRCJNZDXQS-UHFFFAOYSA-N 358.235 5.000 0 1 FJAF O[C@]1(c2ccc(-c3ccc4ccccc4c3)cc2)CN2CCCC[C@@H]2CO1 64526651 LKDZAVLPTGMMGZ-DNQXCXABSA-N 359.469 4.537 0 1 FJAF Cc1cccc(CN2CCC3(CC2)CCN(C(=O)c2ccccc2)CC3)c1 64559109 BOXHESMXGWQKOM-UHFFFAOYSA-N 362.517 4.513 0 1 FJAF Clc1ccc2[nH]ncc2c1Nc1c(-c2ncccn2)oc2cnccc12 66079412 FAUZZPJXUHUCDB-UHFFFAOYSA-N 362.780 4.558 0 1 FJAF Cc1ccc(-c2nc(/C=C3/C(=O)Nc4ccccc43)c3ccccn23)cc1 72109716 SVNMPHJZNGLRCM-NBVRZTHBSA-N 351.409 4.802 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccnc1 72181345 SMGAUCMYFXYSKK-URYYLNOGSA-N 363.501 4.617 0 1 FJAF O=C(O)c1ccc(Nc2nc(-c3cccc(Cl)c3)nc(C3CC3)n2)cc1 142664293 HQJJTHYXAGWJCX-UHFFFAOYSA-N 366.808 4.511 0 1 FJAF C[C@H](c1ccccc1)c1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 146104042 AGTHEFVFFLUTGJ-QGZVFWFLSA-N 364.533 4.877 0 1 FJAF C[C@H]1CN(c2nc3cc(-c4ccc5c(ccn5C)c4)ccc3o2)C[C@@H](C)O1 149439452 VSOOOWVMGZUCQS-GASCZTMLSA-N 361.445 4.600 0 1 FJAF Cc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167713278 PKQAKOLUSHXGFQ-UHFFFAOYSA-N 358.430 4.682 0 1 FJAF C[C@H](CC[C@@H]1OC1(C)C)C[C@H]1O[C@@H]1c1ccc(C(=O)C(F)(F)F)cc1 299848190 HZWJBVJZLJCOQT-BQDHKBFISA-N 356.384 4.855 0 1 FJAF Fc1cc2[nH]c(CCc3ccccc3Cl)nc2cc1Br 587060017 YHSGPEGHRNTPTR-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cccc(F)c3C(F)(F)F)[nH]c2c1 587097177 GFFRUXAXSOTEJZ-UHFFFAOYSA-N 352.287 4.565 0 1 FJAF Cc1ccc2c3c(c4c(nc13)Cc1ccc(O)cc1C4)-c1ccccc1C2=O 587100888 INIDLLQZTFACLV-UHFFFAOYSA-N 363.416 4.955 0 1 FJAF N[C@@H](N=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587146083 YJFREVOZDCWEQE-IBGZPJMESA-N 364.355 4.899 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cncc(OC)c4[nH]3)c(F)c2)c(F)c1 587152206 KQCICSJNGUQYMM-UHFFFAOYSA-N 367.355 4.587 0 1 FJAF Cc1ccc(Oc2ncccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394036 PUAHZWOYXGUPHO-HXUWFJFHSA-N 360.413 4.779 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1c(N)sc3c1CCCC3)(C(C)C)O2 587412375 AYKLZMUIFOCXPT-OAQYLSRUSA-N 370.518 4.616 0 1 FJAF COc1ccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587442689 NDLATCUTHXRXDT-YKSBVNFPSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(OCC)cc13)CC2=O 587481684 HGZNREAGEOGFHB-NRFANRHFSA-N 365.429 4.931 0 1 FJAF CC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568048 KDHVVALFMQFSBN-SIKLNZKXSA-N 364.372 4.798 0 1 FJAF CCc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602690 LBOWDNGLILMGGN-NFBKMPQASA-N 360.409 4.966 0 1 FJAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604031 QOBOPKIQJOSIHE-WLMSZQSKSA-N 364.441 4.939 0 1 FJAF CC(C)n1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587753062 HNIITBAARDUTGQ-GTNSWQLSSA-N 351.263 4.594 0 1 FJAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587935806 JGECXKSORLXIHB-XXFAHNHDSA-N 368.330 4.567 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@@H]1c2cc(OC)ccc2CCN1C(C)C 962086803 CYOARJRPXXZNHX-IBGZPJMESA-N 361.917 4.619 0 1 FJAF CCc1cc(O)ccc1[C@@H]1c2ccsc2CCN1Cc1cccnc1 963014407 SPBMWBXQFSNULV-OAQYLSRUSA-N 350.487 4.559 0 1 FJAF CC(C)=CCC(CC=C(C)C)[C@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529790 YFDSZVJEJKKNCN-CVDCTZTESA-N 371.521 4.844 0 1 FJAF CN(CCOc1ccccc1)c1nc(-c2ccsc2)nc2ccccc12 1857598744 AXCCMSMIZPXVDQ-UHFFFAOYSA-N 361.470 4.874 0 1 FJAF CC1=C[C@H](CN(C)C)[C@H](C(C)C)C[C@@H]1Cc1nc2cc(Cl)cnc2[nH]1 2356288005 UCPYZDLSTNJXDN-INMHGKMJSA-N 360.933 4.570 0 1 FJAF COC(OC)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 2356609681 JSICEBOYDITIFX-KLNHGJCOSA-N 364.526 4.719 0 1 FJAF Cc1cccc2nc(-c3ccccc3)nc(N[C@@H](CO)c3ccccc3)c12 1010454 DENDJETVVNZZEF-FQEVSTJZSA-N 355.441 4.751 0 3 FJAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 55060631 HDEORHZBKNBEAL-QGZVFWFLSA-N 359.539 4.546 0 3 FJAF FC(F)(F)c1cccc(Nc2cc3c(cn2)ncn3Cc2cccnc2)c1 206019417 NJHGYMVNHHWVFP-UHFFFAOYSA-N 369.350 4.637 0 3 FJAF CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)cc(C(=O)O)cc2C[C@H]1O 13461823 BZURYTKOXWYRAG-DENIHFKCSA-N 358.478 4.694 0 1 FJAF biogenic O=C(O)COc1cccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)c1 13727522 GNACOUSRYQSLAR-UHFFFAOYSA-N 370.408 4.670 0 1 FJAF COc1cc([C@H](OC(C)=O)c2ccc3ccccc3c2)cc(OC)c1OC 28894511 PUFCQNFUMKJOFX-OAQYLSRUSA-N 366.413 4.518 0 1 FJAF COC(=O)/C(=C/CC/C(=C\CCc1ccoc1)C(=O)OC)CCC=C(C)C 29042290 RHYBSUZKHZEFTF-PFTXGBMHSA-N 374.477 4.938 0 1 FJAF CC(C)(C)N(Cc1ccc2c(c1)OCO2)C(=O)/C=C\Sc1ccccc1 31904806 OHHVAYUTUCSMON-QXMHVHEDSA-N 369.486 4.848 0 1 FJAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2)s1 82162906 BCUPVCZAVKMAMW-UHFFFAOYSA-N 350.491 4.820 0 1 FJAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 100728281 QGPBRSDGYQTSKG-WLRLJWMZSA-N 369.892 4.820 0 1 FJAF Cc1cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2cc1Br 586882494 WAMFIFWGSHSJAP-VOTSOKGWSA-N 357.207 4.502 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H](C(F)(F)F)CC3 586986558 NAFKQKRLJPHZBL-SNVBAGLBSA-N 369.342 4.819 0 1 FJAF O[C@@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1Cl 587059709 UJLQPXDHANXVSS-CYBMUJFWSA-N 372.049 4.714 0 1 FJAF CCCCOc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F 587424663 RGYSOVLJIRUHEQ-QVKFZJNVSA-N 356.393 4.502 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CC=C(c4ccc(F)cc4)CC1)[C@@H](C2)C3=O 587429909 XMJFDGKZLDIASG-PGRDOPGGSA-N 350.389 4.588 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1OC)(C1CCCC1)[C@@H](C2)C3=O 587442286 KXAHKGLCMSXWJB-MBSDFSHPSA-N 364.441 4.537 0 1 FJAF Cc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587555579 GZBWWKPNRLXTFK-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(OC(F)(F)F)cc1 587871429 WVTQDBVDWBMVEJ-UHFFFAOYSA-N 366.314 4.976 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3ccc(Br)c(F)c3[nH]2)c1 587929567 BXAJJXGDJWZZOO-JTQLQIEISA-N 363.230 4.819 0 1 FJAF COC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1 4237931 CMQNTGHXNBJZTN-UHFFFAOYSA-N 364.489 4.802 0 1 FJAF Cc1c(C)c2c(c(C)c1N)C[C@@](C)(CNCCCCc1ccccc1)O2 13652116 TYRCEMWEJLDBAM-QHCPKHFHSA-N 352.522 4.500 0 1 FJAF COc1ccc([C@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)cc1 14819326 QTEBTSUWUVNMHC-LJQANCHMSA-N 368.429 4.625 0 1 FJAF biogenic CCCN(CCC)c1cc(C)nc2c(-c3cccc(OC)c3)c(C)nn12 27187744 SWXAFTOZXIXHOX-UHFFFAOYSA-N 352.482 4.648 0 1 FJAF CCCn1c(-c2ccc(OC(C)=O)cc2)c(C)c2cc(OC(C)=O)ccc21 29224586 FORZKCIZWLHIOH-UHFFFAOYSA-N 365.429 4.877 0 1 FJAF C[C@]1(COC(=O)Nc2ccc(F)cc2)OC(=O)Nc2ccc(Cl)cc21 45255189 ARQXNSIYPYSEPY-QGZVFWFLSA-N 364.760 4.505 0 1 FJAF Cc1cc(F)ccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66252490 PAMGMRKRPQPAKS-SKFLCBSZSA-N 367.464 4.753 0 1 FJAF Clc1ccc(N2CCN(CCCc3nc4ccccc4s3)CC2)cc1 84670345 KLXKCCCIYMYATJ-UHFFFAOYSA-N 371.937 4.705 0 1 FJAF CN[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 141911895 YYZXRKLXYNZSDC-ZEOOEFBLSA-N 351.538 4.575 0 1 FJAF Cc1ccc(NC(=O)CSCCc2nc3ccc(Cl)c(C)c3[nH]2)cc1 586971070 SNJYIZJTILXDER-UHFFFAOYSA-N 373.909 4.748 0 1 FJAF Brc1ccc(-c2ccc(/C=C/c3nc4cnncc4[nH]3)o2)cc1 586998944 STJSFQIMNYSPSF-SOFGYWHQSA-N 367.206 4.546 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(C)cnc2[nH]1 587033731 AFDRGCDCIYTCJS-AWEZNQCLSA-N 364.474 4.752 0 1 FJAF Cc1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587337697 MKRVKJDUUFUTBH-IFMALSPDSA-N 363.388 4.509 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587422974 RYBXDHABHHFXOV-LIRRHRJNSA-N 361.224 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccc(C)cc4)nc1)[C@@H](C2)C3=O 587435795 KKCOBUMMIOLWMY-FDDCHVKYSA-N 373.408 4.680 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cc(F)ccc3[nH]1)CC2=O 587470103 DFBDJOOIUWDGBZ-OAQYLSRUSA-N 353.393 4.846 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1F 587558383 RPYVYTUUJVDJHQ-OXQOHEQNSA-N 372.298 4.512 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(F)cc2)N1 587731593 HJZQMTUZYRPHTK-BDJLRTHQSA-N 366.249 4.935 0 1 FJAF Cc1ccc(OC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587801333 KIAWKZIOAHTXFU-BLLLJJGKSA-N 364.258 4.551 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccccc2)N1 587814991 XKSOAYNKPZPXEL-ORAYPTAESA-N 362.286 4.970 0 1 FJAF CSc1sc(C(=O)Nc2ccccc2)c2c1-c1sncc1CC2 1772606659 XMNSVNFMPITTJA-UHFFFAOYSA-N 358.513 4.944 0 1 FJAF COCOc1ccc(-c2cc(-c3cccc4cccnc34)cnc2N)cc1 1857605364 YXSDLCGOFHSELV-UHFFFAOYSA-N 357.413 4.529 0 1 FJAF CSc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c1 2468503 SAYYVEPDGUTVKI-YJBOKZPZSA-N 360.866 4.832 0 1 FJAF COc1ccc(C2=NN(c3ccccc3)C[N+](c3ccc(OC)cc3)=N2)cc1 5850188 HFYILMMRNHINHF-UHFFFAOYSA-N 373.436 4.640 0 1 FJAF OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1 28817073 RGFPDLNQIQLMPK-UHFFFAOYSA-N 361.460 4.899 0 1 FJAF in-vivo Oc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)OC2)cc1 35821109 CFCFEXCFOQWYQK-ISKFKSNPSA-N 373.496 4.862 0 1 FJAF O=C(Nc1cc(Nc2ccc3cn[nH]c3c2)nc2ccccc12)C1CCCC1 40404746 CRKLCTQSDIAUBK-UHFFFAOYSA-N 371.444 4.983 0 1 FJAF COc1ccc(-c2nc3ccc(C)nc3nc2-c2ccc(OC)cc2)cc1 45192594 LLQYCCIYHVTHES-UHFFFAOYSA-N 357.413 4.684 0 1 FJAF CN(C(=O)c1cc2c(s1)-c1ccccc1OCC2)c1ccncc1Cl 72173110 IMRADABYFNAOPH-UHFFFAOYSA-N 370.861 4.675 0 1 FJAF COc1c([C@H](C(C)C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2 72180129 UPMMGYIJNFWXPJ-IBGZPJMESA-N 363.461 4.870 0 1 FJAF FC(F)(F)c1ccccc1C1CCN(Cc2n[nH]c3ccccc23)CC1 84687348 IWBIBGFNUXQQIZ-UHFFFAOYSA-N 359.395 4.961 0 1 FJAF Cc1cc(O)c2c(c1)C[C@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]21C 169335719 VZUZGWPYCWZJQF-VOJWOWRFSA-N 366.501 4.505 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(O)c(Br)ccc3[nH]2)n1 587081174 WUDHXZYFQJFCOO-SSDOTTSWSA-N 369.650 4.519 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(C(F)(F)F)ccc3n1)O2 587382246 LALGKEXBJYEFKV-SFHVURJKSA-N 372.346 4.851 0 1 FJAF COc1cccc([C@@H]2CCCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587440249 BOFJESJBAGJRDB-YCRNBWNJSA-N 364.441 4.548 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(Cl)ccc31)CC2=O 587458792 BUUKBBYDYMLANS-FQEVSTJZSA-N 358.821 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)c(F)c1F)CC2=O 587468427 XGYKFMGOHQUIFI-KRWDZBQOSA-N 362.372 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(F)c1F)CC2=O 587468432 XGYKFMGOHQUIFI-QGZVFWFLSA-N 362.372 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@H](C)COCc1ccccc1)CC2=O 587481444 MJAIENXHWPZLNH-VFNWGFHPSA-N 354.446 4.531 0 1 FJAF O=C1C[C@H](c2cnn(-c3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587510803 WUJHYVXJTJWQOJ-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF Cc1ccc(/C(=C\N(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511708 MZIHCOLWAWBQIR-JDCXBEBJSA-N 361.485 4.810 0 1 FJAF O=C1C[C@H](c2cccc(CN3CCCC3)c2)Oc2c1ccc1c2CCCC1 587511934 AWCNQVRNWHYEOM-HSZRJFAPSA-N 361.485 4.868 0 1 FJAF CC1(C)[C@H]2CCCC[C@H]2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602579 IRXOVCAZYATQAG-VBOPQPRHSA-N 364.441 4.939 0 1 FJAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CCC(=O)O)cc1F 587629345 LECILGQWFXASLN-UHFFFAOYSA-N 365.763 4.792 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(C)cnc4[nH]3)c2C)c(OC)c1 587930904 WUZSUIPWLMTWKN-UHFFFAOYSA-N 359.429 4.926 0 1 FJAF Fc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1 653808441 UDPYZSKFXPNJKH-SOFGYWHQSA-N 351.200 4.870 0 1 FJAF FC(F)(F)c1cccc2c1[C@]1(CC[C@H](C3CC3)C1)NCC21CCOCC1 962960536 VEGGELCJPZDOJH-MGPUTAFESA-N 365.439 4.762 0 1 FJAF Fc1ccc(-c2cc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)no2)cc1 963107588 RYFLXQINQQLFNK-UTKZUKDTSA-N 352.384 4.730 0 1 FJAF COc1cc(-c2nc3ccc(Cl)cc3[nH]2)cc(OC)c1Br 1251154609 DUWZBJRHBNBFFF-UHFFFAOYSA-N 367.630 4.663 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@H]1Cc1cccc(O)c1 1857634547 ODPBZLHMNKLIHF-HXUWFJFHSA-N 358.437 4.611 0 1 FJAF CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@H](OC(C)=O)CC[C@H]34)[C@@]2(C)CC1 2356460660 FKDRTPPOFBKQAT-CXJHFUFTSA-N 374.521 4.813 0 1 FJAF COC(=O)[C@H](C)CCC[C@H](C)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356845369 OECIULCWWQFRHD-DSJMHWKBSA-N 362.466 4.687 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)[C@@H](C)Oc2cnccc2-3)c1 2382239162 XEXZHTMEICBSBN-HUUCEWRRSA-N 374.440 4.702 0 1 FJAF CCOC(=O)c1oc2cccc(OCCCNc3ccccc3)c2c1C 5844577 WHEPMYMMMOQAMR-UHFFFAOYSA-N 353.418 4.799 0 1 FJAF Cn1ccc(C2=CC[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)n1 26995316 MWFGFJCWGXXGTB-PEOWNTLRSA-N 352.522 4.737 0 1 FJAF c1ccc(CCCOCCCN2CCC(Cc3ccccc3)CC2)cc1 40393789 XBQBYNHFYXHMHB-UHFFFAOYSA-N 351.534 4.981 0 1 FJAF in-vivo O=C(c1ccccc1F)N1CC[C@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 61924194 WGNACKKMWWBSIB-KSFYIVLOSA-N 364.464 4.891 0 1 FJAF COc1cc(OC)cc(-c2c3c(cc4c2[nH]c2ccccc24)COC3=O)c1 64539838 NKBKQWGJBLABNL-UHFFFAOYSA-N 359.381 4.676 0 1 FJAF CC(C)(C)c1ccc(OC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 68573346 XVMXVJPHGCOUOX-UHFFFAOYSA-N 357.294 4.956 0 1 FJAF biogenic Clc1ccc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)cc1Cl 95755472 BDKZEVRZQKGBIR-UHFFFAOYSA-N 374.227 4.791 0 1 FJAF COc1c(Cl)ccc(Cl)c1C(=O)N[C@H]1CCCc2ccccc21 114427170 NYMRJNXEXQNOKZ-HNNXBMFYSA-N 350.245 4.809 0 1 FJAF CCCCc1cc(=O)oc2cc(OCc3nc4cccc(C)c4[nH]3)ccc12 586917493 CVEYKJWZRAGDBK-UHFFFAOYSA-N 362.429 4.899 0 1 FJAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc[nH]c(=N)c2[nH]1 586983299 YMJNCFFBMHQPTH-ZDUSSCGKSA-N 373.298 4.505 0 1 FJAF COc1ccc2nc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)sc2c1 587035798 TVGWQFSJGXZADY-UHFFFAOYSA-N 351.218 4.550 0 1 FJAF Fc1c(Br)ccc2nc(CNc3ccccc3Cl)[nH]c12 587062979 YRIPIUWGWWFKMH-UHFFFAOYSA-N 354.610 4.730 0 1 FJAF Oc1nccc2nc([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159940 YXYWJVKYXJXUQU-KRWDZBQOSA-N 369.783 4.624 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587189940 FKFOAMOSVITVMV-QGZVFWFLSA-N 373.403 4.797 0 1 FJAF COc1cccc(-c2cc(C(C(C)=O)C(C)=O)nc3c2oc2ccccc23)c1 587366528 UYUWMIPGGCNNMD-UHFFFAOYSA-N 373.408 4.918 0 1 FJAF Cc1ncsc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372608 JXUZTFRSMWVNSE-XLIONFOSSA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@@H](C(C)(C)C)CC3)O2 587415794 XUXBFAHBZZBNKE-SJCJKPOMSA-N 370.518 4.891 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccccc1CCCCF)[C@@H](C2)C3=O 587423922 LJJBVSOPPOGNEB-PGRDOPGGSA-N 354.421 4.650 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1ccc(C)cc1)CC2=O 587471098 ZDRZRPPTBWNMNP-YAOQVBECSA-N 365.473 4.589 0 1 FJAF CCOC(=O)c1ccccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521507 DBMWHTNNCPUEBR-QHCPKHFHSA-N 364.441 4.623 0 1 FJAF C[C@@]1(CCc2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536824 WXUAIMGYLYVBRI-HSZRJFAPSA-N 364.441 4.651 0 1 FJAF C[C@@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587558103 PUSXJUWISFIMKQ-RXVVDRJESA-N 368.335 4.547 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cnccc12 587586974 MMEDUEPQBUQTPB-REWPJTCUSA-N 369.376 4.643 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602655 JIBDHFWYTUQCMX-NZQKXSOJSA-N 358.393 4.504 0 1 FJAF Cc1cc(Cl)cc2c(CC(=O)O)c(-c3cc(Cl)ccc3O)[nH]c12 587624488 NRYVTSOZCGITLC-UHFFFAOYSA-N 350.201 4.783 0 1 FJAF COc1cc(C(C)=O)c(OC)n1CC[C@@H](c1ccc(F)cc1)c1ccco1 587945121 JOUUHEZWCDASCU-KRWDZBQOSA-N 371.408 4.662 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1cnc(-c3cccc4ccccc34)nc1)NCC2 962373634 IOMVIYXMLLVEFZ-QHCPKHFHSA-N 369.443 4.979 0 1 FJAF COc1ccc2c(c1)[C@](CCc1cccc(F)c1)(C1CC1)N[C@@H]1CC[C@H]21 962997671 RSZOPDKKAFSBGD-MZYLBHOOSA-N 351.465 4.922 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(-c2ccsc2)nc1 963039311 UQKFZUPFZTVXEG-NRFANRHFSA-N 373.481 4.602 0 1 FJAF CN1CCc2cn(C)nc2[C@@]1(CC(C)(C)C)c1ccc(Cl)c(Cl)c1 963956561 YLRZSMLDGALEQW-LJQANCHMSA-N 366.336 4.895 0 1 FJAF COc1cc(-c2nccn2-c2ccc3sccc3c2)cc(OC)c1OC 1857554060 ZNAKCHVHSWXHPM-UHFFFAOYSA-N 366.442 4.780 0 1 FJAF Cc1nn(C(=O)C2CCCCC2)c(N)c1-c1ccc(Cl)c(Cl)c1 1857772515 OUOBUXRAUVKVRC-UHFFFAOYSA-N 352.265 4.968 0 1 FJAF Fc1ccc2nc(Cc3c[nH]c4c(F)cccc34)n(Cc3ccncc3)c2c1 2382216159 FFOCFPLXWJFQLY-UHFFFAOYSA-N 374.394 4.830 0 1 FJAF CCCCCn1nc(C(=O)NCc2ccc(Cl)cc2)cc1C(C)(C)C 2382218008 PQSWTIPUHFHWKA-UHFFFAOYSA-N 361.917 4.954 0 1 FJAF CC[C@H]1OCc2c(C)c(/C=C/c3ccc(OC)c(OC)c3)nc(C)c2O1 2382240690 BHFYDVROXNLQGI-JCOOBLOPSA-N 355.434 4.531 0 1 FJAF CN(C)CCNc1cc(-c2ccc(Br)cc2)nc2ccccc12 6437016 QDEMCBGBMLZPKX-UHFFFAOYSA-N 370.294 4.638 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26396027 QOBHVCSONWIIQM-QARZRZBBSA-N 371.565 4.857 0 1 FJAF CCN1C(=O)N(C2CCN(C3CCCCCCC3)CC2)[C@@H]2CCCC[C@H]21 28765618 XXCKMSSYGIADQR-NHCUHLMSSA-N 361.574 4.632 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 28825440 HVRWHBXGKRCKSP-JJTKIYQPSA-N 356.491 4.517 0 1 FJAF CC(C)(C)c1ccc([C@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)cc1 29545479 FQOXNRXNKIUAHM-XMMPIXPASA-N 357.453 4.976 0 1 FJAF Oc1c(C(=S)NCc2ccc(-c3ccccc3)cc2)occc1=S 59114907 QXKKINDNJROSRR-UHFFFAOYSA-N 353.468 4.847 0 1 FJAF CN(C)c1ccc(-c2cc3cc(I)ccc3o2)cc1 95565625 XHGHCGPWSCLUGT-UHFFFAOYSA-N 363.198 4.770 0 1 FJAF COc1cccc([C@H]2CC[C@@H](N3CCN(c4ccccc4)CC3)CC2)c1 101226018 XCLCSOAFYUDOLP-XYWHTSSQSA-N 350.506 4.544 0 1 FJAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@H]1CC2CCC1CC2 205475023 XIFZAVDDPZDOGY-MNWDXSAJSA-N 351.534 4.954 0 1 FJAF CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(Sc3ccccc3)cc21 206190326 LURVYJKOTYYDHM-UHFFFAOYSA-N 371.433 4.745 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(Nc3ccccc3)nc3ccccc23)cc1 299866122 OKSQADDIWCLVHA-HSZRJFAPSA-N 371.440 4.638 0 1 FJAF FC(F)(F)Oc1cc2nc(-c3csc4c3CCOC4)[nH]c2cc1Cl 587031640 JPOQYLUDBBPFFB-UHFFFAOYSA-N 374.771 4.916 0 1 FJAF Fc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1Br 587036772 MVTHVVKOIZLQAT-ZDUSSCGKSA-N 369.284 4.905 0 1 FJAF COc1cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc(Cl)c1O 587046221 NQVQKLCKCQEWJO-UHFFFAOYSA-N 367.630 4.668 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(CO)cc3[nH]2)c1 587240629 GUDLJXMJMKALHU-UHFFFAOYSA-N 358.445 4.665 0 1 FJAF Cc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1F 587241742 IDOKECSHMPULKJ-UHFFFAOYSA-N 357.385 4.730 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cn(-c3ccccc3)nc1C(C)C)O2 587390427 HJPHLIIMHMVDNJ-FQEVSTJZSA-N 361.445 4.593 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H](C2)C3=O 587428484 NGVGHYIYIJUDBI-ZCVJKFOLSA-N 374.411 4.782 0 1 FJAF COc1cc2c3c(c1)O[C@@](CSc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587450950 WEAMVMSWHYLWMU-UWJYYQICSA-N 354.471 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CCC)(c1cn(CC)nc1C)CC2=O 587475271 KWNAYIALXDFLAC-OAQYLSRUSA-N 356.466 4.530 0 1 FJAF Nc1cc2c(cc1Cl)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500063 LKKFLZDNPQTINF-OAQYLSRUSA-N 353.849 4.608 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(F)c1F 587557649 OFDQUZBKSZOQAN-UZLBHIALSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(Cc1ccccc1)C2 587604088 QUKMTLDUKZKEMS-LBVATQBMSA-N 372.420 4.745 0 1 FJAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587629131 VRYFLTDOWIPUMH-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Cl)N1 587694893 MPRKGFUTAHSBBJ-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF Cc1c(F)cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722961 UUXHWZBNVXRLTR-VVVCHXIZSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ccc3c2)N1 587803430 PXIRXMQYQXWUDE-JEOXALJRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]3C=C[C@H]2CC3)N1 587817484 CMEXDSMQFFKQOZ-GZXOXEMDSA-N 364.302 4.940 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587821565 IWGIGMXPXKDUIR-PIGZYNQJSA-N 364.258 4.534 0 1 FJAF COC(=O)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587923172 SIVDICWBBIHSGV-UHFFFAOYSA-N 366.417 4.813 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)cc1OC 587929530 WCRKKPCWYHBFCE-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF COC(=O)c1ccc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c2c1 587936255 VGXDODJOOWAQMM-UHFFFAOYSA-N 358.397 4.692 0 1 FJAF CC(C)(C)[C@]1(c2ccc(F)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963130971 LVXRXLSHXLMGDO-HXUWFJFHSA-N 361.844 4.613 0 1 FJAF COc1c(C(=O)CCc2ccccc2)ccc(O)c1Cc1ccccc1O 2356723763 SXUADOCTNNSTSY-UHFFFAOYSA-N 362.425 4.513 0 1 FJAF CCCC[C@H](C)Oc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 2382236598 MVZOUQZBCWNDGR-SPEDKVCISA-N 369.505 4.597 0 1 FJAF COc1cc(-c2noc(C)c2-c2ccc3[nH]ccc3c2)cc(OC)c1OC 12474667 OGOKTEXJFLTDMK-UHFFFAOYSA-N 364.401 4.824 0 3 FJAF CCC(=O)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 13489784 NTSVSXZWCKTFAR-UHFFFAOYSA-N 365.273 4.501 0 1 FJAF O=C(CCCCCCCCCCc1ccccc1)C1=C(O)CC[C@@H](O)C1=O 14505660 LXKSMWIHCNKWKM-OAQYLSRUSA-N 372.505 4.845 0 1 FJAF biogenic CCCc1cc(=O)oc2c3c(c(C(=O)[C@@H](C)CC)c(O)c12)OC(C)(C)C=C3 14584378 UOITWFKGLACCRG-LBPRGKRZSA-N 370.445 4.864 0 1 FJAF biogenic CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](OC(=O)CC(C)C)[C@]2(C)[C@@H]1C 15221057 HKEONPHWSUCJPX-MJCKSOBWSA-N 374.477 4.679 0 1 FJAF biogenic N=C(N)c1cccc(-c2ccc3ccc(-c4cccc(C(=N)N)c4)cc3c2)c1 38543789 NBKSUHAOHLMMNF-UHFFFAOYSA-N 364.452 4.742 0 1 FJAF CCC(CC)c1cc(C)n2nc(-c3c(C)cc(OC)cc3C)n(C)c(=O)c12 73224921 WKRWIBYOTKKOMJ-UHFFFAOYSA-N 367.493 4.537 0 1 FJAF CCCCCOc1nc2ccccc2cc1[C@@H](O)CCCCCC(=O)O 95540044 SNADZOMJIROEOR-IBGZPJMESA-N 359.466 4.872 0 1 FJAF Cc1oc(-c2ccccc2)nc1CNc1ccc(OC(C)(C)C(=O)O)cc1 95564042 LQNSGBNWDUXBNM-UHFFFAOYSA-N 366.417 4.504 0 1 FJAF Cc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2n1 103236424 HOFPMWLVJOCYDY-UHFFFAOYSA-N 373.378 4.716 0 1 FJAF O=Nc1c([C@@H]2C(=O)Nc3ccc(OC(F)(F)F)cc32)[nH]c2ccccc12 169723271 XULONIVOENCMLI-CYBMUJFWSA-N 361.279 4.548 0 1 FJAF C[C@@H]1[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](N(C)C)CC[C@@]5(C)[C@H]4CC[C@]23CN1C 255213294 GPLGAQQQNWMVMM-ZRLUFUSLSA-N 356.598 4.810 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3ccc(C(=O)O)cc3[nH]2)c1 586882104 KCDNWRWKWQPXGB-UHFFFAOYSA-N 370.408 4.776 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1N 586885742 CVCGECLLEWGSSE-UUOWRZLLSA-N 366.468 4.766 0 1 FJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4nc(Cl)c[nH]c-4n3)c2)c1 587048410 ARIREUZKDKJUCP-UHFFFAOYSA-N 369.211 4.758 0 1 FJAF N=c1nc(-c2ccccc2Cl)c(-c2nc3cc4ccccc4cc3[nH]2)c[nH]1 587060453 GJIOKRYCOSJBJV-UHFFFAOYSA-N 371.831 4.906 0 1 FJAF Cc1cc(Br)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1F 587137544 BDBQTPRRQOUDIU-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587157005 QQLRLDQAPZDMNA-HTAPYJJXSA-N 359.404 4.836 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587168270 DUXQVEWFODCJQA-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587195167 GPPVPILXTNEUFK-JTQLQIEISA-N 362.246 4.682 0 1 FJAF O=C(N[C@@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1)c1ccccc1 587217303 BWYCXPBWRPNISU-SFHVURJKSA-N 361.832 4.736 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c2)c1 587232898 DSGHYCGHDIVOTR-UHFFFAOYSA-N 359.429 4.956 0 1 FJAF Cc1ccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1N 587249604 CPAGVNXUEKQWOX-UHFFFAOYSA-N 364.674 4.655 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CS[C@@H](c3cccs3)C1)CC2=O 587494407 LKNYVXAWPIVZGU-MJGOQNOKSA-N 360.500 4.988 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(O)c2)N1 587696473 ULEORTITAOXWBK-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF COc1cccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587930036 FVHMOKWJIUQWKM-UHFFFAOYSA-N 356.731 4.714 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCOc3c(F)cc(F)cc32)N1 962947588 NWGBIHNVQDCPPB-FPTDNZKUSA-N 368.427 4.787 0 1 FJAF COc1cc(OC)cc(-c2cc3cc4c(cc3o2)CC(C)(C)[C@H](O)C4)c1 2356306014 AAAYIAAWJPLFJT-OAQYLSRUSA-N 352.430 4.603 0 1 FJAF C[C@]1(Cc2ccc3ccccc3n2)C(=O)Nc2ccc(OC(F)(F)F)cc21 61926220 ASTOXIHEKGMHMD-LJQANCHMSA-N 372.346 4.586 0 3 FJAF CCOC(=O)c1ccc(Nc2cnc3cc(C(F)(F)F)ccc3n2)cc1 1645523 UXEBFVZZSYFVAM-UHFFFAOYSA-N 361.323 4.569 0 1 FJAF COc1ccc2cc([C@](O)(c3ccc(Cl)cc3)c3cccnc3)oc2c1 13680608 TWWWJBRBILYRPV-NRFANRHFSA-N 365.816 4.774 0 1 FJAF Cc1ccc(NC(=O)CCC2CCCCC2)cc1NC(=O)c1cccnc1 13757506 JRTFWXSLVFPRGP-UHFFFAOYSA-N 365.477 4.941 0 1 FJAF O=C1c2cccc3cccc(c23)N1CCCN1CC=C(c2ccccc2)CC1 13823450 RWOFMBJYEBXDKZ-UHFFFAOYSA-N 368.480 4.979 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26396030 QOBHVCSONWIIQM-RKFWHAEISA-N 371.565 4.857 0 1 FJAF CC[C@@H](C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40894505 VHDVPRLQWJBQLJ-OAHLLOKOSA-N 357.523 4.747 0 1 FJAF CCCCNc1ncc(C(=O)NCc2ccccc2)c(-c2cccc(C)c2)n1 82146261 XCLSBRBUWGHIRP-UHFFFAOYSA-N 374.488 4.594 0 1 FJAF CN1[C@H]2CC[C@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897435 IPMUIEOKKFRJCK-VXKWHMMOSA-N 370.487 4.907 0 1 FJAF CCOP(=O)(OCC)[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 103212580 XGIKTCJMOJQNTJ-UHPIZROJSA-N 373.389 4.781 0 1 FJAF COc1ccc(NC(=O)Nc2ccc(-c3ncnc4[nH]cc(C)c34)cc2)cc1 140650657 CAFZZJQYJOMPAV-UHFFFAOYSA-N 373.416 4.586 0 1 FJAF CC1(c2cc(NC(=O)Nc3ccc(F)c(F)c3)n(-c3ccccc3)n2)CC1 299818803 AHZZRNPXIUXUFU-UHFFFAOYSA-N 368.387 4.846 0 1 FJAF CCCc1cc(-c2nc(-c3ccc(OCCN(C)C)cc3)cs2)ccn1 299829204 QSIAKKKQIJUPTC-UHFFFAOYSA-N 367.518 4.765 0 1 FJAF O=C1c2ccccc2[C@@]2(c3ccc(Cl)cc3)N1CCN2c1ccccc1 299857383 CSKBSJGYTRSSFC-JOCHJYFZSA-N 360.844 4.517 0 1 FJAF Cc1cc(Br)cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586882560 XYALBAVOLZSIQA-VOTSOKGWSA-N 357.207 4.502 0 1 FJAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2c(N)ccnc2[nH]1 586981416 BSUIYMHMIMTCJB-ZDUSSCGKSA-N 373.298 4.675 0 1 FJAF Cc1ccc(-c2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c(C)s2)cc1 587013344 LGZDMHDRCRLWIW-KRWDZBQOSA-N 363.446 4.694 0 1 FJAF Clc1ccccc1-c1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)co1 587061804 ZHSGVWRDDWRGQG-UHFFFAOYSA-N 367.792 4.700 0 1 FJAF O=C(O)c1cccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128506 ODQGZIZULMFUQX-UHFFFAOYSA-N 371.368 4.989 0 1 FJAF COc1cc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2cc1F 587157735 FKZUBDWJVWFNOZ-UHFFFAOYSA-N 364.351 4.996 0 1 FJAF COc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1F 587162670 HJFNCRWGFYPQNM-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587242758 RACQXSAEZIWDJN-UHFFFAOYSA-N 365.380 4.724 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(C)n(C4CCCC4)c1C)[C@@H](C2)C3=O 587431362 OEHSMBRDVBOZOJ-PGRDOPGGSA-N 351.446 4.717 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)cc(C)c1OC)CC2=O 587485140 ZSAURDLGXAAOCF-QFIPXVFZSA-N 354.446 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@H]3CCCCO3)o1)CC2=O 587486247 XGEABPXVEXVNRJ-XLIONFOSSA-N 356.418 4.886 0 1 FJAF CCOc1cc(OC)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527873 ZCZIHDSOZFQOBM-HSZRJFAPSA-N 366.457 4.853 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587820402 PFFSRPRHHRGPBB-CQAYLWRFSA-N 350.275 4.550 0 1 FJAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cs1 587852844 NNGRYJLUXQBJBP-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF CCOc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876677 TYQLADYRTGAMGT-UHFFFAOYSA-N 355.394 4.439 0 1 FJAF CC[C@]1(c2cc(Cl)ccc2Cl)NCCc2c1c(C(C)C)nn2C 962904068 BBVHZUJWWVHCEQ-GOSISDBHSA-N 352.309 4.650 0 1 FJAF COc1cccc2cc3c(nc12)[C@@](c1ccccc1C)(C(F)(F)F)NCC3 963057213 MNTOGBXBUAXMCO-FQEVSTJZSA-N 372.390 4.503 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(OCc5cccnc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 1857646644 HMSVRJFQQKNABZ-DJCPXJLLSA-N 363.501 4.878 0 1 FJAF COc1cc(C=Cc2ccccc2O)c(Cc2ccc(O)cc2)c(OC)c1 2356448223 VCFDJUNAKPBGRG-UHFFFAOYSA-N 362.425 4.876 0 1 FJAF Cc1ccc(-n2cnc3cc(C(=O)NC4CCCC4)ccc32)cc1Cl 3025688 RXBIAEPBHCZOKP-UHFFFAOYSA-N 353.853 4.660 0 1 FJAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 10450456 WRSSBTLLIWVGAI-NSHDSACASA-N 367.232 4.501 0 1 FJAF C/C1=C\[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 13827622 XUVXBQLHPFQADG-OYARPCFVSA-N 358.478 4.627 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H]4CC(=O)[C@]3(C=C4C(C)C)CC[C@@H]12 34172558 UHJVGDFZCWFEKB-CJRZMUQXSA-N 358.522 4.944 0 1 FJAF CCCOC(=O)c1c(-c2ccccc2)nc(CC)c(C(=O)OCC)c1CC 34800772 CRONUFGJJBDGQT-UHFFFAOYSA-N 369.461 4.617 0 1 FJAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccc(Cl)cc1 64379442 SUYRDAUAEDYGHW-WOJBJXKFSA-N 357.881 4.651 0 1 FJAF in-vivo COc1ccc(F)cc1-c1ncc(Nc2ccc(C)cc2C(=O)O)cc1C 113898685 AQKTYIKHOIMLAZ-UHFFFAOYSA-N 366.392 4.955 0 1 FJAF CCCCCCO[C@H](C)[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253633143 DTSBTUSKJKTLJH-YOIFPYASSA-N 352.515 4.967 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](OC(C)=O)CC[C@H]12 253859954 MEHJFIPYSWVCTE-FHJOOOADSA-N 374.521 4.814 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cncc(Br)c2[nH]1 587062527 UUPKRXWGYVEZOY-LBPRGKRZSA-N 366.646 4.904 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2ncc(Cl)cc2[nH]1 587077103 QVDROLUHQMPKRU-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccc(C(F)(F)F)cc2)C1)CC4 587210122 FUYOXELQGTZGLW-QGZVFWFLSA-N 367.370 4.999 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587249522 NJIBBXXIUBILSD-UHFFFAOYSA-N 355.747 4.801 0 1 FJAF COc1cccc(-c2cc(Cn3ccnc3)nc3c2oc2ccccc23)c1 587362705 KGHFOSJVPVBPDH-UHFFFAOYSA-N 355.397 4.901 0 1 FJAF O=C1C[C@H](c2c[nH]nc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506255 JQFIOPOTFQNSBM-HXUWFJFHSA-N 362.404 4.801 0 1 FJAF CC[C@@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600474 BCIXBSLRBZJFDK-AFCCGETMSA-N 352.430 4.939 0 1 FJAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587610777 HDQBMLGWNHTWHN-VQIMIIECSA-N 367.426 4.675 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(C)c3c2)N1 587758525 QKOQDTMBIJTADQ-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF CN1CCN(c2ccc3nc(/C=C\c4cccc5ccccc45)[nH]c3c2)CC1 587967506 IAGMQSDABYYRGF-XFXZXTDPSA-N 368.484 4.638 0 1 FJAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1ccccc1S 962396909 HOCTWJGLFFDIGI-HXUWFJFHSA-N 354.544 4.697 0 1 FJAF Oc1ccc([C@@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(Cl)c1 962706923 MTAFTHQZLONQJQ-BUXKBTBVSA-N 363.885 4.638 0 1 FJAF Cc1sc2c(c1C)CCN[C@@]2(CCCC(=O)O)c1cccc(Cl)c1 963013731 SDHZYXUVNSHJCQ-IBGZPJMESA-N 363.910 4.663 0 1 FJAF COc1ccc([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1OC 2382234715 BYGXUCMXQAUZGT-CPJTVBMOSA-N 352.446 4.707 0 1 FJAF C[C@H]1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)Nc1cccc(Cl)c1 2382240540 FWQLCBCSPSSNDA-ZDUSSCGKSA-N 366.852 4.881 0 1 FJAF CN(C)C[C@@H]1CCCC[C@H]1[C@@]1(O)c2ccccc2CSc2sccc21 5557607 YKADOOIFTVIBPM-LUQKVYGDSA-N 373.587 4.958 0 3 FJAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NCCC(C)C)cc1 774412 HJUANRGCSZGFSO-UHFFFAOYSA-N 364.445 4.793 0 1 FJAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)cc1 776280 FOYRAUMKVDNZHI-UHFFFAOYSA-N 358.482 4.814 0 1 FJAF N#CNc1nnc(-c2ccccc2Nc2cccc(C(F)(F)F)c2)s1 13828134 VZQHTJARSRVOIR-UHFFFAOYSA-N 361.352 4.860 0 1 FJAF C/C(C[C@@H]1CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)=N\O 34095267 FEMIUPGALVTKAK-JXPWPRPCSA-N 357.494 4.554 0 1 FJAF COc1ccc(Oc2c(Cl)cnn(-c3cccc(C(C)C)c3)c2=O)cc1 66136354 BFZMZQCRZNOAGD-UHFFFAOYSA-N 370.836 4.810 0 1 FJAF COc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CCN)c2cc1OC 95558937 AEAYYRQSWDTQPU-UHFFFAOYSA-N 364.489 4.718 0 1 FJAF Nc1c(O)nc2c(C(F)(F)F)cccc2c1-c1cc(Cl)ccc1O 101223479 ABJDXJFZSBDKBP-UHFFFAOYSA-N 354.715 4.567 0 1 FJAF COc1ccc([C@@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc1 103268664 BGRIEJOGMWBZBP-HXUWFJFHSA-N 374.440 4.543 0 1 FJAF Cc1cc(Br)cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586882559 XYALBAVOLZSIQA-SREVYHEPSA-N 357.207 4.502 0 1 FJAF CCN(CC)CCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586996016 LTZGYOHTTQUYGW-UHFFFAOYSA-N 358.485 4.947 0 1 FJAF Fc1cc2[nH]c(CCNc3ccc(Br)cc3)nc2cc1Cl 586996481 VCQUKBSUAOXRQR-UHFFFAOYSA-N 368.637 4.773 0 1 FJAF COc1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586997424 XFRSTNQRXYLICO-UHFFFAOYSA-N 361.239 4.648 0 1 FJAF Fc1cccc(-c2nc3cncc(Br)c3[nH]2)c1C(F)(F)F 587098043 PGVZTLYORCJCBV-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CCn1ncc(Cl)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103389 GZQKSFHZONKNMN-UHFFFAOYSA-N 359.816 4.983 0 1 FJAF Nc1cc(F)cc(F)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104026 PZMODHNXZKPGPX-UHFFFAOYSA-N 358.347 4.974 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4ccc5ncccc5c4[nH]3)cc2[nH]1 587120454 JQORKVIYNLTEPE-UHFFFAOYSA-N 353.307 4.673 0 1 FJAF Cc1c(Cl)ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c12 587168899 RAXSZJZKXKIVOV-UHFFFAOYSA-N 367.815 4.789 0 1 FJAF Cc1cc(F)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 587198615 NMSFHWJLYVGDQA-UHFFFAOYSA-N 374.419 4.536 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]([C@@H]1CCOC1)CCC3 587209121 JYEOAYDMTZOSTN-CABCVRRESA-N 355.437 4.903 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587235409 LNWBPOLQADDPBC-DGCLKSJQSA-N 367.852 4.906 0 1 FJAF C[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359813 ZVKWLWBXIBWFQB-RBBKRZOGSA-N 364.372 4.511 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CC=C(c4ccc(F)cc4)CC1)[C@@H](C2)C3=O 587429900 XMJFDGKZLDIASG-AVRDEDQJSA-N 350.389 4.588 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC(C)=O)cc1C)CC2=O 587476766 FVZPCFKCRMBKMY-HXUWFJFHSA-N 368.429 4.593 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(OC)ccc13)CC2=O 587482708 JWTAELAEHYCBBG-HXUWFJFHSA-N 351.402 4.541 0 1 FJAF CCOC(=O)C[C@@]1(CC2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523625 LJDDDJJEEGWUTF-HSZRJFAPSA-N 370.489 4.803 0 1 FJAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)O[C@@H](C)C2 587536251 STLYGOILQOYJEB-XMHCIUCPSA-N 364.441 4.604 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccccc3Cl)[nH]c12 587638845 RESJPEYEEMBBQQ-UHFFFAOYSA-N 367.710 4.932 0 1 FJAF COc1ccccc1CC(=O)c1nc2c(OCc3ccccc3)cccc2[nH]1 587929484 KHZHJEVLTZVWHS-UHFFFAOYSA-N 372.424 4.576 0 1 FJAF C[C@]1(c2cccc3ccccc23)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729918 LASLBZLBSDMGQW-FPOVZHCZSA-N 369.386 4.749 0 1 FJAF Cc1ccc([C@@]2(C[C@@H](C)CC(=O)O)NCCc3c2sc(C)c3C)cc1 963025760 REPPFHYNTQAHEK-LHSJRXKWSA-N 357.519 4.564 0 1 FJAF NC1=C[C@@]2(C[C@@H](c3ccc(Cl)cc3)C1)NCCc1cccc(Cl)c12 963381167 QYFYDAGGGQJUTQ-MGPUTAFESA-N 359.300 4.755 0 1 FJAF C[C@@H]1CN(Cc2ccccc2)c2ccccc2C(=O)N1CCc1ccccc1 1772651861 QHKJELCIBOZDRA-HXUWFJFHSA-N 370.496 4.780 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@H](C)CCNC2 1857577472 FHWYOVUTYXPXSE-SNVBAGLBSA-N 357.504 4.580 0 1 FJAF CCOc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857590863 UOAZQZODWUCVKU-UHFFFAOYSA-N 372.468 4.739 0 1 FJAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356407472 ZUKZAQFFEBCYLE-KRJRABHFSA-N 358.614 4.890 0 1 FJAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)O)cc2C[C@H]1O 2356499832 KSXMPLFGEDQAEG-IFMALSPDSA-N 358.478 4.912 0 1 FJAF CC[C@H](O)[C@H](O)CC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356695993 FFXKPSNQCPNORO-LEWJYISDSA-N 362.510 4.715 0 1 FJAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61903390 ZAHMJYRORRFPPM-KRWDZBQOSA-N 360.841 4.828 0 3 FJAF Clc1ccc2nc(-c3ccncc3)c(Nc3ccc4c(c3)OCO4)n2c1 4126226 SVBVKWMCCGQTSM-UHFFFAOYSA-N 364.792 4.522 0 1 FJAF CO[C@H](CNC(=O)/C=C\c1ccccc1)c1ccc(OCC=C(C)C)cc1 14616913 MLCNANOYWKNAAF-VKVQTHCXSA-N 365.473 4.549 0 1 FJAF endogenous,in-man COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]2OC 14774443 VZMATVDJEYJHLC-XCGNWRKASA-N 360.494 4.878 0 1 FJAF biogenic CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](CCC)C=C4)O[C@H](C)CC3=O 29133752 DSFIRUMIZRKUPV-TZMCWYRMSA-N 368.429 4.674 0 1 FJAF c1ccc(CCN2CCC3(CC2)Oc2ccccc2[C@H]3n2cccc2)cc1 29318170 TXVBDOAZLZDQQB-HSZRJFAPSA-N 358.485 4.547 0 1 FJAF CC(C)OC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 40879429 AZCYYSPDNYROAF-UHFFFAOYSA-N 352.217 4.811 0 1 FJAF O=C(CCCCCCCCCCCc1ccccc1)N[C@H]1CCOC1=O 40899623 BGOVUZZHXJQMFB-FQEVSTJZSA-N 359.510 4.562 0 1 FJAF CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1c[nH]c2ccccc12 49803800 RDUOBBASCFAZAE-OAQYLSRUSA-N 363.848 4.797 0 1 FJAF C[C@@H](CNCc1coc(-c2ccccc2Br)n1)c1ccccc1 72183138 VLUUTYPPRFGJDX-AWEZNQCLSA-N 371.278 4.997 0 1 FJAF CC[C@@H](C)Nc1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2)n1 82132832 DGTPJJXAJUWESK-MRXNPFEDSA-N 366.509 4.664 0 1 FJAF COc1ccccc1Oc1cc(NC[C@@H]2CC[C@H]3C[C@H]2C3(C)C)ncn1 299881494 OBZABPCRXBXWRJ-HRCADAONSA-N 353.466 4.762 0 1 FJAF Cc1c(Br)cc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1C 587057640 CLUJVWYMFNVLBE-HNNXBMFYSA-N 365.658 4.677 0 1 FJAF O[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccccc1Cl 587059255 MQIKCXGFPGHSOM-HXUWFJFHSA-N 364.832 4.877 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587069786 KQGSKVHSICDQKC-SNVBAGLBSA-N 354.668 4.808 0 1 FJAF CCOC(=O)c1cc(Br)c2[nH]c(C3(F)CCCCC3)nc2c1 587131562 NXMYCHNXMAROHJ-UHFFFAOYSA-N 369.234 4.631 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cccc(F)c1F)O2 587385402 NXPOMZXTYICUIP-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(c1)c1ccccc1n3C)O2 587390811 OCOCALVDJSXRQI-QFIPXVFZSA-N 356.425 4.929 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3csc(C)n3)s1)O2 587413475 OPZADYDNVPJPBR-HNNXBMFYSA-N 356.472 4.777 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1[nH]c4c(Cl)cccc4c1C)[C@@H](C2)C3=O 587421836 NIUVDLLEUYPIED-RBZFPXEDSA-N 353.805 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(N3CCCC3)c1)CC2=O 587467382 QTAHPONJNHXMRI-NRFANRHFSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(C=O)o3)o1)CC2=O 587486039 WMMKKYBRJLCJFI-HXUWFJFHSA-N 366.369 4.717 0 1 FJAF COc1ccc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn(C)c2c1 587515073 JBHJJPWPEXICLV-JOCHJYFZSA-N 361.441 4.772 0 1 FJAF Cc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530072 CPTCVLOCXIHXKJ-NRFANRHFSA-N 370.470 4.661 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2F)N1 587718048 MHSBFAXKSMDKAK-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@H]2C2CC2)N1 587823671 QUUOYCGSWNKUII-VZSAFFHGSA-N 352.291 4.918 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccc(F)cc1)Oc1ccccc1-2 653861074 OYFQGTMTBOAUCW-QGZVFWFLSA-N 372.510 4.910 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cnn(-c2ccc(F)cc2F)c1 963237714 ZBSZLTUJJCIWJX-QRQCRPRQSA-N 367.443 4.897 0 1 FJAF CC(=O)c1ccc(-c2cc(Cl)cc(Nc3cc(C)nc(N)n3)c2)cc1 1772645157 VPNUQQQCLOAQAB-UHFFFAOYSA-N 352.825 4.634 0 1 FJAF CCO[C@@H]1Cc2ccccc2C2(CCC(NCC3CCCCC3)CC2)O1 1857588061 LKSVIRCJQQMHGO-APKLWFBNSA-N 357.538 4.930 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@](O)(C=CC(=O)O)CC 2356499336 AVSPCYKDNIUSRR-SESVDKBCSA-N 352.515 4.628 0 1 FJAF COC(=O)C=C(C)CC[C@@H]1[C@H](C(=O)OC)CC[C@H]2C(C)(C)CCC[C@@]21C 2356587034 WDMMGTWRGDEGNH-QSNWEANLSA-N 364.526 4.918 0 1 FJAF C[C@H]1CCC[C@H](C)N1CCNc1ccc2c(-c3ccccc3F)noc2n1 205223739 QNDTUJFZPRISMQ-GJZGRUSLSA-N 368.456 4.704 0 3 FJAF COc1ccc(C(=O)Nc2ccccc2[C@H](C)CN2CCCCC2)cc1 896520 VOVAEUFPROBLAL-QGZVFWFLSA-N 352.478 4.537 0 1 FJAF O=C(O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1 14960339 XBJHWTKQDJEHAL-UHFFFAOYSA-N 372.384 4.521 0 1 FJAF Cc1cc(C)cc(-c2cc(C)cc(C)c2/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c1 29482126 KNMFROHCOSXVOB-KPDZFXRVSA-N 350.458 4.667 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34315806 YEULSAXOJYTLCB-WNWBQRPISA-N 359.554 4.739 0 1 FJAF Cc1cc(NC(=O)Nc2cccc(-c3ncccn3)c2)c2ccccc2n1 64409763 ITMIRBVZLFSMKR-UHFFFAOYSA-N 355.401 4.644 0 1 FJAF C[S@](=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc2c1 64513992 OGJNEVVUAVJJLL-RUZDIDTESA-N 350.418 4.773 0 1 FJAF Nc1cc(-c2ccccc2)n(Cc2coc(-c3cccc4ccccc34)n2)n1 72103552 BPFDPYRQYPJUKV-UHFFFAOYSA-N 366.424 4.989 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 169319971 ZRESSCVMJGYKHQ-IYSZNGAOSA-N 354.490 4.577 0 1 FJAF COc1ccc(-c2c[nH]c3ncc(-c4cccc(N(C)C)c4)cc23)cc1OC 299827432 JHZDDBCPAXESNK-UHFFFAOYSA-N 373.456 4.980 0 1 FJAF O=C(NCc1ccccc1)c1ccc(OC(F)F)c(OC2CCCC2)c1 473145115 JZJYDEHSZVVNST-UHFFFAOYSA-N 361.388 4.539 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2ccc(Cl)cc2[nH]1 586981239 MSDORDYHZGXJNL-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF FC(F)(F)c1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1 587022117 UTMRWMNVUSHCCP-UHFFFAOYSA-N 360.364 4.691 0 1 FJAF COc1cc2nc(-c3cnn(-c4ccc(Cl)cc4)c3C)[nH]c2cc1F 587075827 NHHAFJLELGQNQU-UHFFFAOYSA-N 356.788 4.525 0 1 FJAF Fc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081645 SEYKFACILBHPDG-UHFFFAOYSA-N 363.783 4.732 0 1 FJAF CCOc1cc(/C=C/c2nc3cccc(OC)c3[nH]2)ccc1OC(F)F 587129558 DPTAEVAYXOGFRF-CSKARUKUSA-N 360.360 4.742 0 1 FJAF Fc1cccc2c(-c3nc4c(Cl)cc(C(F)(F)F)cc4[nH]3)n[nH]c12 587176814 SZBSWBKOBIFCBW-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF O=C(O)Cc1c(-c2cc(Cl)sc2Cl)nc2cccc3c2c1CC3 587216617 HMWNDBBMFKBOAQ-UHFFFAOYSA-N 364.253 4.996 0 1 FJAF Cc1cncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587341350 WDRBCZNVCMSHDC-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378430 VAIVXRCBPXLGJD-QUCCMNQESA-N 354.402 4.867 0 1 FJAF CCC[C@H](OC)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441108 RKBQSZNHFVPTED-MSYCTHLASA-N 366.457 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(CN3CCCC3)c1)CC2=O 587477244 WVGRCGZWIVTXGC-QFIPXVFZSA-N 365.473 4.647 0 1 FJAF Cc1noc(-c2ccccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587523989 ISCPZVGNCUTXDK-FQEVSTJZSA-N 360.413 4.630 0 1 FJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)F)c(-c3ccccc3Cl)c2c1 587649937 NKIUKWXOLWKREK-UHFFFAOYSA-N 373.783 4.911 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587825917 CAPZJPFLLXZCQI-XLFHBGCDSA-N 352.247 4.596 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccco2)N1 587828637 OPDVAVZOCOIOOD-PIGZYNQJSA-N 352.247 4.563 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962665043 LFIZBIDGTRZTML-UWSIMGETSA-N 363.501 4.694 0 1 FJAF Cc1ccc([C@@]2(CC(C)(C)C)c3ccsc3CCN2C(N)=O)c(C)c1 962712183 OCYVWQBNOWOBJO-NRFANRHFSA-N 356.535 4.982 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2C(=O)O)N1 962951933 PHUUAODOVYEFEV-KPZWWZAWSA-N 354.837 4.533 0 1 FJAF Cc1cc(Cl)cc2c1N[C@@H](c1c[nH]nc1-c1ccc(Cl)cc1)NC2=O 1857638200 ZBUCPNSHTLDOJE-QGZVFWFLSA-N 373.243 4.546 0 1 FJAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](O)[C@](C)(OC)CC1 1857654963 IXTZSRZHCVQVPJ-RBBKRZOGSA-N 360.494 4.609 0 1 FJAF CCC(=CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2)CC 1857769649 WVWCMLYTYYIHOH-IBGZPJMESA-N 368.429 4.799 0 1 FJAF Clc1ccc([C@H](OCn2ccnc2)c2nc3ccccc3[nH]2)c(Cl)c1 5647348 ZBWKROZHSABEDR-KRWDZBQOSA-N 373.243 4.830 0 1 FJAF CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[C@@H]1N1CCCC1 6010252 VJCOWILXIKFCRJ-IRXDYDNUSA-N 370.324 4.864 0 1 FJAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O 13474583 QWLPFOROZPPJHY-NSHDSACASA-N 364.461 4.933 0 1 FJAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(F)cc1 26568711 UHRJNFAUJIYDCS-OAHLLOKOSA-N 352.384 4.626 0 1 FJAF CCOc1ccc(-n2c(SC)nc3sc4ccccc4c3c2=O)cc1 28949287 BMIUFFBSJVNCDL-UHFFFAOYSA-N 368.483 4.721 0 1 FJAF CC/C=C/[C@H](CC)C/C(C)=C/[C@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC 33955051 AVSPCYKDNIUSRR-HYVYBHJJSA-N 352.515 4.628 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34315794 QOBHVCSONWIIQM-BSJZCABSSA-N 371.565 4.857 0 1 FJAF CCCCCCOC(=O)c1cc(CO)cc(C(=O)OCCCCCC)c1 40395365 RKZOHMVINBXGQM-UHFFFAOYSA-N 364.482 4.653 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2ccc(Cl)cc12 63540296 BOVQIKHARODWQD-UHFFFAOYSA-N 366.730 4.946 0 1 FJAF COC(=O)c1ccc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2c1 66104309 ZZAYBYSNDRBLBD-UHFFFAOYSA-N 363.457 4.781 0 1 FJAF CCOc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@@H]3C)C4(C)C)co2)cc1 72101674 UYYNNPPQRIBMQK-QTLCSOKXSA-N 354.494 4.901 0 1 FJAF COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cc1O 72110115 YUGNRKRBKUUHIF-UHFFFAOYSA-N 372.442 4.822 0 1 FJAF O=c1[nH]c(=S)[nH]c(-c2ccsc2)c1Cc1c(O)ccc2ccccc12 72170782 YNMDRXOHNKDPNJ-UHFFFAOYSA-N 366.467 4.611 0 1 FJAF Cc1cnc(-c2cc(Cl)ccc2F)cc1Nc1ccnc2cn[nH]c12 140516970 OXSDTRSIBXBIJL-UHFFFAOYSA-N 353.788 4.864 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccc(F)cc1 142734050 QBRMYMYIRDNBMV-LBPRGKRZSA-N 370.251 4.649 0 1 FJAF COc1cc2c(-c3cc(OC)c(OC)c(OC)c3)c(C)c(C)cc2cc1O 238752832 LFTCQFWEAXOZBN-UHFFFAOYSA-N 368.429 4.864 0 1 FJAF COc1ccc(C(=O)Nc2ccc(-c3ccc(F)cc3F)cc2F)c(O)c1 299820560 HQARROBBYKNEMR-UHFFFAOYSA-N 373.330 4.737 0 1 FJAF O=C1O[C@]2(CCOc3ccccc32)CC(O)=C1Sc1ccccc1Cl 299822935 QYIRNSXQAVRKPI-LJQANCHMSA-N 374.845 4.827 0 1 FJAF Brc1nccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027439 FHXRQJPBMMIQPK-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2ccc(Br)c(C)c2[nH]1 587067355 WALBETUUXVXNRR-UHFFFAOYSA-N 350.647 4.996 0 1 FJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 587122911 FISVXOHVDXXVMD-KBUNVGBDSA-N 373.741 4.526 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4)cc1)[C@@H](C2)C3=O 587429801 XAHCFEYVVDZDAH-CVDCTZTESA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(Cl)cc3n1C)CC2=O 587459356 CSFUVUBAJNZZHY-SFHVURJKSA-N 370.836 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](Oc2ccccc2)C1(C)C 587481061 PGABNRYDTLWEIC-NFBKMPQASA-N 366.457 4.926 0 1 FJAF Cc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1ccccc1 587513461 TVKKMCSJMQHTIC-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587716952 KDMWNNNBAPBDGK-BBATYDOGSA-N 366.249 4.833 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4c(OC)cccc4[nH]3)cc2)c1 587781577 LFXFWDJKQYIQNT-UHFFFAOYSA-N 360.413 4.826 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccoc23)N1 587831139 GVAPVJCHQWGWAX-BMLIUANNSA-N 360.226 4.958 0 1 FJAF O=C(c1csc(-c2ccccc2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587876125 LMLXLQVJYMPTTP-UHFFFAOYSA-N 363.373 4.607 0 1 FJAF CCOCOc1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)cc1 962707798 OPYPFRBKZRYJCM-NRFANRHFSA-N 369.486 4.862 0 1 FJAF COc1c2c(c(CC=C(C)C)c3occc13)N[C@@H]1C(O)=CC=C[C@H]1C2=O 2356770781 HWGJCIRYJFWOQH-PXAZEXFGSA-N 351.402 4.555 0 1 FJAF Cc1ccc(CNC(=O)c2cc3c(s2)CN(Cc2ccccc2)C3)cc1 59846876 GRFRUNFNNJBBRD-UHFFFAOYSA-N 362.498 4.502 0 3 FJAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2cccc3cccnc23)cs1 61929593 OYYMZSHNEHGJMD-HXUWFJFHSA-N 350.418 4.753 0 3 FJAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)C1c2ccccc2-c2ccccc21 26651273 PVFCGXGQBWTWHW-ROUUACIJSA-N 362.517 4.568 0 1 FJAF CC(=O)Nc1ccc(NC(=O)c2sc3sccc3c2Cl)cc1 29483077 ZGMXKMNBVWUJSX-UHFFFAOYSA-N 350.852 4.827 0 1 FJAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3CO)cc2)cc1 38149565 FUKIMKAXNJAMDX-UHFFFAOYSA-N 360.457 4.791 0 1 FJAF COc1ccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)cc1 40953095 CZNFERGZXNXTAS-HNNXBMFYSA-N 358.445 4.911 0 1 FJAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C 43202624 AKEGKJWULBRQSD-HWDGFJGFSA-N 362.517 4.649 0 1 FJAF NC(=O)c1ccc(NC2CCCCC2)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12 72125108 QWCQVNIBTYLOHK-UHFFFAOYSA-N 373.460 4.555 0 1 FJAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)CC3)CC1 84687564 OTILYYCTGBTYKO-UHFFFAOYSA-N 372.509 4.655 0 1 FJAF CC1(C)Oc2ncnc(N)c2N=C1c1ccc(C2CCC(F)(F)CC2)cc1 169307763 MVRINMAZQHQIFS-UHFFFAOYSA-N 372.419 4.644 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4ncc(Br)cc4[nH]3)cc2)o1 586903757 URFDDXWYQCOIKR-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(C[C@H]3OCCc4ccsc43)nc2c1 587036752 LWHGUBKWWPJKCM-GFCCVEGCSA-N 356.344 4.639 0 1 FJAF Clc1cc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039837 GCXDIWDKPMCSPJ-HZPDHXFCSA-N 364.301 4.816 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)OCCCO3 587062787 WARNOZLAOYSDID-OAHLLOKOSA-N 358.825 4.908 0 1 FJAF Fc1ccc(-c2ccccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1F 587145502 LUMLVFOLJOIVNM-UHFFFAOYSA-N 364.351 4.946 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421756 MXDNAJSTCUVVFC-HRAATJIYSA-N 365.816 4.628 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(C)(C)C)n1)CC2=O 587487746 NPPYFZQJAZDYQV-SFHVURJKSA-N 355.434 4.624 0 1 FJAF O=C1C[C@@H](c2cccc(Oc3ncccn3)c2)Oc2c1ccc1c2CCCC1 587515096 KZDDYLLXILKZGX-NRFANRHFSA-N 372.424 4.854 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602298 HPXPKXVQKBWMLZ-XBRCYRKVSA-N 364.441 4.939 0 1 FJAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1F 587624593 NRRPZEWGFDBFED-UHFFFAOYSA-N 359.784 4.677 0 1 FJAF COc1cc(C)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806662 IDJAXFCGLLBXLD-BBATYDOGSA-N 364.258 4.529 0 1 FJAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587934117 AZXDFSRZRCLCLU-XXFAHNHDSA-N 351.233 4.715 0 1 FJAF O=C(O)CCCCCCCCCCCCc1nc2cnc(Cl)[nH]c-2n1 587956610 GTHUGINADQSARN-UHFFFAOYSA-N 366.893 4.876 0 1 FJAF Cc1ccc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)cc1F 962636860 JGFIEYJHLPXUCO-WIOPSUGQSA-N 372.487 4.970 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]31CS[C@H](c2cccs2)C1 963057181 MJKTZNJJCJOSIN-PXNSSMCTSA-N 368.527 4.524 0 1 FJAF C[C@@H](O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 1772634202 WMOYXAFPCAUKLI-CQSZACIVSA-N 360.417 4.632 0 1 FJAF CCOc1ccc2[nH]cc(C3=CCN(Cc4ccc(OC)cc4)CC3)c2c1 1857565829 QNKSLKGYJQJCTC-UHFFFAOYSA-N 362.473 4.865 0 1 FJAF Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 1857656676 HSUPQAOIIAJFBL-UHFFFAOYSA-N 357.866 4.969 0 1 FJAF FC(F)(F)c1ccc2nc(N[C@H]3OCCc4ccccc43)sc2c1 1857761572 RLBWKIOLDOHCLI-HNNXBMFYSA-N 350.365 4.999 0 1 FJAF COc1cccc(-[n+]2c(-c3cccs3)cn3c2CCc2ccccc2-3)c1 15953138 KGLIOXNBVPTMIW-UHFFFAOYSA-N 359.474 4.590 0 3 FJAF O[C@@H](c1cc(F)cc(Cl)c1)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1 61928860 VJWCRIWNBXGSEW-HNNXBMFYSA-N 370.733 4.970 0 3 FJAF Cc1nc2c(ccc3nc(NC(=O)CCOc4ccccc4)sc32)s1 4174004 PGQGSAXLRULLSG-UHFFFAOYSA-N 369.471 4.622 0 1 FJAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2c(Cl)cccc2c1=O 29479671 QZLRYCZRJNTIGT-OUKQBFOZSA-N 373.843 4.913 0 1 FJAF O=C1NCCCc2[nH]c3c(ccc4cnc(/C=C/c5ccccc5)cc43)c21 72109351 VVVVSXKJECZPRY-CSKARUKUSA-N 353.425 4.563 0 1 FJAF CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)cc1 72110990 BEOADSCNJSAOSW-QGZVFWFLSA-N 352.459 4.646 0 1 FJAF CC1(C)C[C@@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(N)ccc2O1 72176568 ABBPXIQTEGAQTC-OAHLLOKOSA-N 361.898 4.511 0 1 FJAF CCCNC(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1 103185423 BZKRSLKTDUIIEO-UHFFFAOYSA-N 367.232 4.744 0 1 FJAF c1ccc(CNC[C@@H]2COC[C@@](c3ccccc3)(C3CCCCC3)O2)cc1 473166157 DOAJDWYDPGLIME-DNQXCXABSA-N 365.517 4.667 0 1 FJAF Cc1c(Br)ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c12 586882530 WYCLSTJNEIQPHE-TWGQIWQCSA-N 357.207 4.502 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(O)c(F)c3)nc3ccc(O)c1c23 586986522 MNZWCXSMQUWHOX-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF CCn1ncc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c1C 586987695 QUOLLFDQWJZMMC-UHFFFAOYSA-N 369.424 4.652 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(O)ccc4N)nc13)-c1ccccc1C2=O 586995037 DDIOYIPTIUDVDI-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF COc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063597 QMYGWIJXVIKUIR-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF CCOc1n[nH]c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1Cl 587065760 YTECNZCNJVHKCL-UHFFFAOYSA-N 368.824 4.584 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c(C(F)(F)F)c1)O2 587381136 GOWBPUFGZBRHFC-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3c(s1)C[C@H](C(C)(C)C)CC3)O2 587415793 XUXBFAHBZZBNKE-PXAZEXFGSA-N 370.518 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCC)c(F)c1)CC2=O 587467471 SJTGGYPRGIIIAH-OAQYLSRUSA-N 358.409 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2cc(F)ccc21 587472478 RJSNCROYXXJXLL-QFIPXVFZSA-N 370.420 4.906 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2c1 587586296 KDGALXQMIKVCKL-REWPJTCUSA-N 369.376 4.643 0 1 FJAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CCC(=O)O)cc1F 587629461 QVQNEMPVGZDDSK-UHFFFAOYSA-N 365.763 4.792 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C[C@@H](C)c3ccccc32)N1 587818357 QWSGEFPANYPBJX-CLUVUEOHSA-N 360.270 4.873 0 1 FJAF CCC[C@]1(Cc2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828955 PHGBKBXKXBGTKW-KZULUSFZSA-N 366.274 4.954 0 1 FJAF C[C@H](Oc1cccc(Cl)c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873537 DCSQDXGVLPPCIB-JTQLQIEISA-N 358.756 4.556 0 1 FJAF Cc1cc(O)n(-c2ccc(Br)cc2OCc2ccccc2)c1O 587939412 CGHFOJUJFFDCKE-UHFFFAOYSA-N 374.234 4.538 0 1 FJAF COc1cc2c(cc1OC)[C@](C)(CCc1ccc(C)cc1)N(C)[C@@H](C)C2 962630740 SSCWKEBXUANZOE-SBUREZEXSA-N 353.506 4.737 0 1 FJAF FCCn1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c2ccccc21 963098758 JCCWBMYJMPXMMP-ZHRRBRCNSA-N 352.428 4.860 0 1 FJAF COc1ccc(Nc2ncc(C)c(Nc3nc4ccccc4s3)n2)cc1 1857592103 HPCMKQICJBYWIF-UHFFFAOYSA-N 363.446 4.891 0 1 FJAF CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2C(F)(F)F)cc1 1857761929 AXGQYTRIYHNSBB-UHFFFAOYSA-N 365.395 4.681 0 1 FJAF C[C@H](Nc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1 1911582556 HQFVNYLIKOIUEL-ZDUSSCGKSA-N 373.294 4.767 0 1 FJAF COc1ccc([C@@H]2OCc3ccccc3S2)cc1OC(=O)C(C)(C)C 2356364985 CSYIXIYQSWIEPV-GOSISDBHSA-N 358.459 4.968 0 1 FJAF CC(C)=CCc1ccc([C@@H]2CC(=Cc3ccc(O)cc3)OC2=O)cc1O 2356687069 CKXDJBIVHGLXSZ-FQEVSTJZSA-N 350.414 4.678 0 1 FJAF CCOC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 4671129 VMTZCTQCFMWSEO-UHFFFAOYSA-N 352.415 4.610 0 3 FJAF in-vivo CCC(CC)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@H]1c1ccccc1 2724513 HWLXHYDQCNKICH-HXUWFJFHSA-N 370.880 4.646 0 1 FJAF C[C@@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1noc(O)n1 13672540 BGBIRITUKVVOAT-VIFPVBQESA-N 352.287 4.752 0 1 FJAF Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945213 PUUFQSCAAHBUHO-UHFFFAOYSA-N 371.440 4.858 0 1 FJAF SC1=N[C@H](c2ccc3c(c2)OCO3)CC(C23CC4CC(CC(C4)C2)C3)=N1 19922926 NSYMHFPCSAHMBR-KQZSUJQPSA-N 368.502 4.803 0 1 FJAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@@](C)(CO2)[C@@H]1C/C=C/CCCC(=O)O 26009958 VEKDZUVNPMZDCF-KTTPGAFSSA-N 364.526 4.726 0 1 FJAF CC(=O)Nc1nc2nc(C)nc(C)c2cc1-c1c(Cl)cccc1Cl 27330813 WBCRRUJFPKPVNJ-UHFFFAOYSA-N 361.232 4.574 0 1 FJAF C[C@H](Oc1ccnc2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43011538 PSGFUTMQBCOQRG-ZDUSSCGKSA-N 350.809 4.609 0 1 FJAF Fc1ccc([C@H]2NC(N3CCCCC3)=NC3=C2CCc2ccccc23)cc1 45291000 NPAIUWCXVKERBJ-OAQYLSRUSA-N 361.464 4.669 0 1 FJAF CCCCCn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82181826 SHOGAGLPTLZLKH-UHFFFAOYSA-N 363.509 4.939 0 1 FJAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@@H](C)CC 82185986 DPIBRVYOOHHMJE-AWEZNQCLSA-N 355.461 4.576 0 1 FJAF O[C@H](COc1ccc(Cc2ccccc2)cc1)CSc1ccc(F)cc1 84689324 KHNQHSMEUKVRJF-HXUWFJFHSA-N 368.473 4.949 0 1 FJAF CC(=O)O[C@@H]1CC=C2Cc3occ(C)c3[C@H](OC(=O)CC(C)C)[C@@]2(C)[C@@H]1C 85767804 HKEONPHWSUCJPX-QGUZNEQPSA-N 374.477 4.679 0 1 FJAF biogenic COc1cc2cc(-c3ccoc3)n(Cc3ccc(C(=O)O)o3)c2cc1Cl 169701329 NPLRLZMOUSTGKG-UHFFFAOYSA-N 371.776 4.903 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@H](C(=O)O)C3 257777844 ZKXLEDOCSSUHKY-UUCUCYJSSA-N 362.510 4.663 0 1 FJAF endogenous,in-man COc1ccc(NC(=O)c2csc(-c3c[nH]c4ccc(F)cc34)n2)cc1 473249665 XWUIHOJBGLWHAD-UHFFFAOYSA-N 367.405 4.691 0 1 FJAF Oc1c(-c2nc3ccc(Br)c(F)c3[nH]2)ccc2c1CCCC2 586899340 YNFQBAWMSLSLCL-UHFFFAOYSA-N 361.214 4.716 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(C)c2[nH]1 586916065 JMMXJXSDDGVXAG-FOIQADDNSA-N 354.837 4.741 0 1 FJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(C)c(Cl)cc2[nH]1 586973648 QBJAKXZGUKBFGY-SFHVURJKSA-N 373.909 4.635 0 1 FJAF CCc1cnccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987993 KCYATRQEUPIZER-UHFFFAOYSA-N 352.393 4.776 0 1 FJAF Fc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1F 587012120 GODMZPXMCZAJPO-UHFFFAOYSA-N 356.195 4.605 0 1 FJAF O=C1CSc2ccc(-c3nc4cc(Cl)c(Cl)cc4[nH]3)cc2N1 587043213 ISZJSXAWVHYNKG-UHFFFAOYSA-N 350.230 4.581 0 1 FJAF Cc1ccc(C)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587219140 MPVUVGPSGXVNAV-NRFANRHFSA-N 355.441 4.699 0 1 FJAF CC[C@@]1(/C(C)=C/OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353681 RQYNKIMCDOTDJW-LMULYTEMSA-N 356.393 4.589 0 1 FJAF O=C1c2ccc(O)cc2OC2(CC3(CCCC3)C2)[C@H]1c1ccc(F)cc1 587355352 ULPLVGZAZWDMIR-IBGZPJMESA-N 352.405 4.983 0 1 FJAF CC[C@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414773 XIKSOSVYXYTUTI-AUUYWEPGSA-N 373.246 4.511 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4c(C)cc(C)cc4C)c1)[C@@H](C2)C3=O 587431120 MXYABGMEBFOHEY-CYFREDJKSA-N 373.452 4.900 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(SC)cc31)CC2=O 587491184 KEOSPAMBIKZUJN-NRFANRHFSA-N 354.471 4.874 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(C(F)F)c2)N1 587719707 RAMSXDIXRJMSOE-AYVTZFPOSA-N 371.200 4.544 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnccc23)N1 587775968 APJNVBDMBMHGOW-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1ccccc1C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813742 PNLVZUWSPKMHET-BFUOFWGJSA-N 362.286 4.889 0 1 FJAF Cc1ccc(Cl)c(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587872248 LKKWHWVGXJPFTJ-LLVKDONJSA-N 372.783 4.864 0 1 FJAF C[C@@H](Nc1ncnc2sc(-c3ccccc3C(N)=O)cc12)c1ccccc1 653699615 PLKYPQUBIRABHS-CYBMUJFWSA-N 374.469 4.630 0 1 FJAF CN1CCc2c(Br)cccc2[C@]1([C@H](O)C(C)(C)C)C(C)(C)C 963290772 YLIRTSWYWJFSLC-APWZRJJASA-N 368.359 4.585 0 1 FJAF CCC(=O)c1cc2c(cc1OC)[C@@]1(C)Cc3nc(C)oc3C(C)(C)[C@@H]1CC2 1772655392 XALYNLZBDKMPMK-NZQKXSOJSA-N 367.489 4.938 0 1 FJAF CC=C(/C(C)=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 1857744283 AOGNGGSMIOLFPB-NUGGQUAVSA-N 370.445 4.933 0 1 FJAF CC(=O)OCC(=CCCC(=CCO)CO)CCC=C(C)CCC=C(C)C 2356605167 VOPVVWGGRWHKOQ-UHFFFAOYSA-N 364.526 4.640 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H]2C(C)(C)O)C1 36386579 QFUQHEHEWIRVAY-PALDOQLESA-N 362.554 4.958 0 3 FJAF Cc1c(CN[C@H]2CCC[C@H](C)[C@H]2C)c(C(=O)O)c(C)n1Cc1ccccc1 13496393 YTCVOOYFAFINKO-MRUHUIDDSA-N 368.521 4.766 0 1 FJAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CNCCCc1ccccc1)O2 13651350 WSWFWXQSJBZYPQ-QHCPKHFHSA-N 353.506 4.624 0 1 FJAF CC(=O)SCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947046 IHMMUJMBXWPHDJ-RPHTVSPISA-N 372.530 4.657 0 1 FJAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)c1 27623806 MWHGKWYIEYAFOP-MRXNPFEDSA-N 353.274 4.784 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)Nc1ccccn1)CC2 28645128 WWQBRKMNPXXKQJ-WMZOPIPTSA-N 366.505 4.867 0 1 FJAF CCc1c(-c2ccc(OC(C)=O)cc2)n(CC)c2ccc(OC(C)=O)cc12 29227680 HSWBGCGXESXTTO-UHFFFAOYSA-N 365.429 4.741 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2nc(-c4ccccc4)no2)N3C)cc1 36270952 WYJIEKRDCVWTRP-CGXNFDGLSA-N 359.473 4.779 0 1 FJAF CCCCCOc1ccccc1-c1cc(C(=O)NCc2ccccc2)no1 96913503 XSRJURRJKXPNOI-UHFFFAOYSA-N 364.445 4.841 0 1 FJAF CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1F)c1ccccc1 103204996 AFBGPSWTEFOGDR-SFHVURJKSA-N 365.341 4.520 0 1 FJAF Oc1cccc2c1OCC(c1nc3cc(OCc4ccccc4)ccc3[nH]1)=C2 586906912 BGUPKTFEQJKZHS-UHFFFAOYSA-N 370.408 4.781 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587050057 MNMAGOKARRUAIK-UHFFFAOYSA-N 369.730 4.740 0 1 FJAF Cc1c(Br)cc2nc(C(C[C@@H]3CCCN3)=C(F)F)[nH]c2c1C 587089063 XFIFJTFJYHEJFE-JTQLQIEISA-N 370.241 4.692 0 1 FJAF COc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2cc1C 587116060 LYCPLDFYTVYCSQ-UHFFFAOYSA-N 358.323 4.509 0 1 FJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2N1 587122323 BSPOANLSLINZET-INWYIAFRSA-N 373.741 4.526 0 1 FJAF Cc1ccc(C)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167672 QBWQERORSMUIGI-MRXNPFEDSA-N 352.413 4.688 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sccc32)[C@H]1c1ccc(F)cc1 587376342 WUAWQSKDAZJBRK-PZJWPPBQSA-N 366.413 4.793 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3sccc32)[C@@H]1c1ccc(F)cc1 587376343 WUAWQSKDAZJBRK-TZIWHRDSSA-N 366.413 4.793 0 1 FJAF COc1cccc([C@H]2CCCC[C@@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587440244 BOFJESJBAGJRDB-DNVFCKCGSA-N 364.441 4.548 0 1 FJAF CCCOc1ccc(CC)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440443 GZLXOUGEYQWEIO-VGOFRKELSA-N 352.430 4.535 0 1 FJAF CCCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444502 ZRNKXLCLOFNCRF-GCJKJVERSA-N 352.430 4.537 0 1 FJAF O=C1C[C@@H](c2ccc(-c3cncnc3)cc2)Oc2c1ccc1c2CCCC1 587515805 RRKOACMRVKQQJX-QFIPXVFZSA-N 356.425 4.729 0 1 FJAF CCOc1ccc2c(c1)[C@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535458 JXWMRMJFDNMGRA-QHCPKHFHSA-N 364.441 4.607 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1cccc(Cl)c1 587550518 WXIBJJGECRNZBF-RBUKOAKNSA-N 366.800 4.619 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3ccnc(Br)c3[nH]2)cc1 587565164 ZFTURXBAKKWBQN-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF CCn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587580046 WWHNPLGOQFHPPF-DENIHFKCSA-N 363.413 4.533 0 1 FJAF CCc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603345 MIVOGZDSXFDDFP-URXFXBBRSA-N 372.420 4.758 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C(C)(C)C)c2)N1 587755313 OROPGYSWEYAPGY-GTNSWQLSSA-N 365.290 4.768 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3ccccc23)N1 587777285 GNRCPOCYRCFTCL-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587818540 ILOPIXBKEZRLNQ-PRFADMHUSA-N 350.275 4.550 0 1 FJAF Clc1ccc2c(n1)NCC[C@@]21NCCc2cccc(-c3ccccc3)c21 962666254 LPGVFLGWRZONKW-JOCHJYFZSA-N 361.876 4.607 0 1 FJAF COc1ccc(CN=c2[nH]n(C3CCCC3)c3ccc(Cl)cc23)cc1 1857611629 INHXGYUTVWUXPI-UHFFFAOYSA-N 355.869 4.847 0 1 FJAF CCCCCC=CC[C@@H]1O[C@@H](C=C=CBr)C[C@@H]1OC(C)=O 2356793380 KLCHFJGEHIUFMA-CRLPYZIYSA-N 357.288 4.666 0 1 FJAF COc1cccc(C(=N)Nc2nc(-c3ccccn3)cc3ccccc23)c1 5929156 PXQRSWYJPARNEH-UHFFFAOYSA-N 354.413 4.743 0 1 FJAF O=C(NC1CC1)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491310 ZUHXBQBLHMWREE-UHFFFAOYSA-N 358.397 4.584 0 1 FJAF C[C@@H](CCN1CCC[C@@H](C)C1)[C@H](C)S(=O)(=O)c1cccc2ccccc12 27643868 NSIUOUDAPUEWFM-QYZOEREBSA-N 373.562 4.760 0 1 FJAF CCN(CC)CCCNc1ccc2c(c1)-c1nccc3cccc(c13)C2=O 73351179 XNETYORDRXPMRM-UHFFFAOYSA-N 359.473 4.590 0 1 FJAF Fc1ccc2oc(NCCCNCc3ccc(Cl)c(Cl)c3)nc2c1 84596290 ZFPOPNVOTIUVOW-UHFFFAOYSA-N 368.239 4.866 0 1 FJAF CC1=C(c2cccc(F)c2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103179491 MOEDIIHKYLMJGA-UHFFFAOYSA-N 366.461 4.986 0 1 FJAF CN(C)CCN1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 148735351 NNPZGRUMFLDSMT-XBJNPTMSSA-N 359.517 4.845 0 1 FJAF CN1Cc2cc(-c3cccnn3)ccc2[C@H](c2ccc3ccccc3c2)C1 149777517 VLBMNJKZTDKZNF-QHCPKHFHSA-N 351.453 4.874 0 1 FJAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 586909269 XRUALCKIWSOOMY-INIZCTEOSA-N 372.424 4.723 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(F)F)CC3 586986571 NGKANVCXTSQVHC-NSHDSACASA-N 365.379 4.912 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3nc(C(C)(C)C)ccc3[nH]2)s1 587023454 QGLZBTAVOCGCLG-UHFFFAOYSA-N 373.482 4.726 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C)ccnc3[nH]2)c(F)c1 587145010 QFANFBUUWDBLFI-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF O=C1C[C@@]2(CCCCC[C@@H]2Cn2ccnc2)Oc2c1ccc1c2CCCC1 587513976 CNQNBUAABRASPV-WZONZLPQSA-N 364.489 4.746 0 1 FJAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1Cc1ccccc1 587516824 FEHUKVIKHGDILN-BXKMTCNYSA-N 361.485 4.564 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587555917 HWDLRWQMEDWPPR-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF CC[C@@H]1C[C@H](C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604694 VJDSLTDSZGVWBC-CUMKQXGYSA-N 352.430 4.939 0 1 FJAF O=C(c1ccc(Cl)s1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637449 JFERMHAPACYRAT-UHFFFAOYSA-N 373.739 4.831 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)cc1 587862663 UTIDCUAKPDSRPF-UHFFFAOYSA-N 360.335 4.574 0 1 FJAF CCOC(=O)c1ccc(-c2ccc(-c3ccc4c(c3)COC4=O)s2)cc1 653700871 ZDOIZYCXOUHOHJ-UHFFFAOYSA-N 364.422 4.929 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3ccccc3)nc1)N(C)[C@H](C)C2 962627103 KRGISSREDCMKHU-VOIUYBSRSA-N 374.484 4.732 0 1 FJAF COc1ccc(F)c(F)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 962991004 CWHVCSQKBQTRJQ-FQEVSTJZSA-N 372.440 4.578 0 1 FJAF Cc1ccc(CC[C@@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)cc1 963128978 CFMOXXYXCIPAEX-VWLOTQADSA-N 371.480 4.715 0 1 FJAF CCCCOC(=O)[C@@H]1C[C@H](c2c[nH]c3ccccc23)N(c2ccccc2)O1 1857765350 RABAYRRMLMBXGU-RTWAWAEBSA-N 364.445 4.763 0 1 FJAF CC=C(C)C(=O)Nc1cc2cc(O)c3nccc4c3c2n1-c1ccccc1-4 2356501701 KNQDHHRMPVESSY-UHFFFAOYSA-N 355.397 4.769 0 1 FJAF O=c1cc(-c2cccc(OC(F)(F)F)c2)[nH]c2ccc(N3CCCC3)cc12 5580727 IXOPCLABJYZIEL-UHFFFAOYSA-N 374.362 4.694 0 1 FJAF COc1cc(OC)cc([C@@H]2CCc3c(cc(O)c(CC=C(C)C)c3O)O2)c1 14762565 LLRPPTLVKGWPCU-FQEVSTJZSA-N 370.445 4.690 0 1 FJAF biogenic CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(Cl)cc3F)cn12 14961195 ZQDZBQZEDXQQPJ-UHFFFAOYSA-N 356.788 4.967 0 1 FJAF COc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1 22941564 JNBBLYXYLWVZBN-GOTSBHOMSA-N 358.485 4.559 0 1 FJAF Fc1ccc(C[C@H](Nc2nc3cc(F)ccc3o2)c2ccccn2)cc1 28005941 HWCLMWFDQHJAKC-KRWDZBQOSA-N 351.356 4.897 0 1 FJAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 40866531 FSRGBFIJCFDRBB-QIDMFYOTSA-N 351.421 4.587 0 1 FJAF CCC(CC)C(SC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1 66122895 UPMORWMOEKXBSP-IBGZPJMESA-N 357.519 4.512 0 1 FJAF COc1ccc([C@H]2[C@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1OC 101065947 UBUINJQFQXKDNL-AWWSKVOZSA-N 351.490 4.746 0 1 FJAF Cc1ccc(CN(C(=O)O[C@@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 101152223 FIYZCZVBIXLYNG-BWTSREIZSA-N 370.518 4.825 0 1 FJAF CC[C@@H](Cc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251334 QGKBVDLQECAUMM-IBGZPJMESA-N 359.535 4.528 0 1 FJAF C=C(c1ccc(-c2ccccc2)cc1)c1sc(=S)n(CC(=O)O)c1O 169716768 QHYRHIDJWHHUNT-UHFFFAOYSA-N 369.467 4.798 0 1 FJAF [C-]#[N+]c1cccc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)O2)C2(CCCCC2)C3)c1 201233662 JWGCBPARRLGDMK-HSZRJFAPSA-N 372.472 4.755 0 1 FJAF COc1cc(-c2nc3c(C)nc(C)cc3[nH]2)cc(Cl)c1OCC(C)C 587045715 DRYVOBCEMXDFQA-UHFFFAOYSA-N 359.857 4.939 0 1 FJAF CC(C)(C)c1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2n1 587134907 QVNVBKOOSMWFDU-UHFFFAOYSA-N 355.360 4.768 0 1 FJAF COc1c(Cl)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587375409 MQNAXQOOKAHGSL-HNNXBMFYSA-N 352.217 4.599 0 1 FJAF CCC[C@H]1CC[C@H](CC[C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587561469 IGASQIHFONZXCX-BZUAXINKSA-N 369.509 4.928 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccc2F)N1 587726338 IMHYQPWKDXJANQ-VOJFVSQTSA-N 366.249 4.935 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(C)c3c2)N1 587758555 QRHFWXDQDQFCJX-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2ccn3C)N1 587760625 ZKWSCTCYRXAJQE-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C2CC2)N1 587813435 CSKVKSQIFGGOLB-RNODOKPDSA-N 374.297 4.970 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(c2)CCC3)N1 587824789 YPFRWBKKWGGFFN-JEOXALJRSA-N 360.270 4.701 0 1 FJAF COc1cccc(CCc2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587932042 VCVXLANHRHCGRY-UHFFFAOYSA-N 359.267 4.736 0 1 FJAF Ic1cccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587962169 VOVUSSQWFVJBOD-STQMWFEESA-N 374.225 4.514 0 1 FJAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)C1 962974969 LYGAGBWSFKSJIZ-NRMSWPOKSA-N 371.855 4.505 0 1 FJAF O=C1CC2(CCCC2)C[C@]2(C1)c1ccsc1CCN2Cc1cccnc1 962995178 MGNNKUGYHRWIDC-JOCHJYFZSA-N 366.530 4.710 0 1 FJAF CCCN1[C@H](c2ccc(N3CCCC3)nc2F)c2ccccc2C[C@H]1C 963234259 VBSNSOILLBRXNK-IERDGZPVSA-N 353.485 4.567 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@H](F)c2ccccc2)CC1 1857567865 VLXGGMZFUUJXRR-NRFANRHFSA-N 354.469 4.605 0 1 FJAF CCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc2c(c1)OCO2 1857594049 GUFYMTMMMRUMEM-UHFFFAOYSA-N 359.447 4.763 0 1 FJAF CN(C)c1ccccc1-c1cn2c(-c3ccc4c(ccn4C)c3)cnc2cn1 1857617019 IQNWFHLWZLEQNK-UHFFFAOYSA-N 367.456 4.621 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC[C@@H](C)[C@H](O)CC=C(C)C 2356433457 JZVYLXIIJTXKCL-DENIHFKCSA-N 366.542 4.718 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2 2356660028 BZNBZVBEJHYNGR-RCDICMHDSA-N 370.445 4.784 0 1 FJAF O=C1Nc2ccc(Cl)cc2[C@@](OCc2ccccc2)(C(F)(F)F)O1 6580231 AJHHHELOAOLGAL-HNNXBMFYSA-N 357.715 4.834 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/C=C/c1ccc3c(c1)OCO3)C2 13378718 PRQIQLZCTBYMPT-MLARAPGSSA-N 354.446 4.743 0 1 FJAF CCCCC/C=C/C/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 13507472 WECGLUPZRHILCT-QWDWEFSUSA-N 354.531 4.696 0 1 FJAF Cc1ccc(Oc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C 13612089 VRFNSWZSKMEKCH-UHFFFAOYSA-N 357.413 4.738 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)[C@H](C)C4=O)OC(C)(C)C=C3 14681735 QOFDITUHNAYYJC-RYUDHWBXSA-N 368.429 4.529 0 1 FJAF biogenic C/C(=C\COc1c2occc2cc2ccc(=O)oc12)CCC(=O)C(C)C 15120607 MGSJQKGFMSBYEO-RIYZIHGNSA-N 354.402 4.870 0 1 FJAF CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2OCC(=O)O)cc1 28010857 MPBLSXAJSOTBEM-CCEZHUSRSA-N 367.445 4.535 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@H](F)[C@@H]2NC(=O)Nc1cccc2[nH]ncc12 28965008 GNRVWTIJRDMIID-QFBILLFUSA-N 366.440 4.617 0 1 FJAF Nc1cc(N(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3c2)ccn1 36408232 KAKJZYKLXWMVSD-UHFFFAOYSA-N 371.415 4.803 0 1 FJAF Cc1c(CN[C@H]2CC[C@@H](F)C2)nn(C)c1-c1cc(F)cc(C(F)(F)F)c1 43071920 GEYZUIQCDURJOF-HIFRSBDPSA-N 373.369 4.534 0 1 FJAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@@](CCCO)(c2ccccc2)C1 49017825 YVZSCJHEMPRIEE-NRFANRHFSA-N 372.896 4.678 0 1 FJAF Ic1ccccc1-c1nc(/C=C/c2ccccc2)no1 72138508 GXGRRRODINOPHB-ZHACJKMWSA-N 374.181 4.512 0 1 FJAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3C)n(CC)c(=O)c12 73196450 VQBCXCUMKQQAFV-UHFFFAOYSA-N 367.493 4.712 0 1 FJAF CC/C=C\C[C@H](O)/C=C\C=C\C=C\[C@H](O)C/C=C\CCCCCC(=O)O 169309052 QJJOLZOJRISMDP-UENSAESPSA-N 362.510 4.715 0 1 FJAF CCCCSc1nc([C@@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352203 UUSLRYSHPDLAQB-JTQLQIEISA-N 354.878 4.915 0 1 FJAF COc1cc(/C=C/C(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(Cl)c1O 169368184 ARPHTRQCUAXYGU-RPXQORIISA-N 364.869 4.825 0 1 FJAF CC(=O)c1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914379 FAVYDZQKBIBPDD-UHFFFAOYSA-N 372.380 4.534 0 1 FJAF Cc1ccc(NC(=O)CSCCc2nc3cc(Cl)cc(C)c3[nH]2)cc1 586970716 OUXKCFNDELILNX-UHFFFAOYSA-N 373.909 4.748 0 1 FJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1O 586992624 QLLVQJITRZGCGH-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587109001 FNXXMEVZHMLWAZ-UHFFFAOYSA-N 364.277 4.713 0 1 FJAF CC(=O)c1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137828 NIFCPVNLVDEFQZ-UHFFFAOYSA-N 367.605 4.988 0 1 FJAF O=C1CCc2cc3nc(-c4cccc(Nc5ccc(O)cc5)c4)[nH]c3cc2N1 587242860 VWZBUPZJOMYOPT-UHFFFAOYSA-N 370.412 4.564 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccc(C)cn1)CC2=O 587470562 LFBLZZXSYLIVOC-HXUWFJFHSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1OC)(C(C)C)CC2=O 587475555 AOAVCDONVUSWGL-HSZRJFAPSA-N 368.473 4.956 0 1 FJAF CC(C)c1nn(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499677 MERHAWQRMWYCGV-MRXNPFEDSA-N 358.869 4.782 0 1 FJAF O=C1C[C@@H](c2cccc(OCC(F)F)c2)Oc2c1ccc1c2CCCC1 587504269 IPIRHWMKVUYXRC-IBGZPJMESA-N 358.384 4.916 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1O 587506642 NOMZMLUYIONNKZ-SFHVURJKSA-N 358.821 4.640 0 1 FJAF CCn1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C(F)(F)F 587508742 QLAOUDNDGCKOQZ-INIZCTEOSA-N 364.367 4.507 0 1 FJAF Cc1ccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)cc1 587515289 RTBYEMJRBAGDDD-UHFFFAOYSA-N 361.485 4.878 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(F)cc1F 587558421 RYQNTIWKHFGXDE-XLIONFOSSA-N 372.298 4.512 0 1 FJAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1Cl 587628193 IWVVWOMEMGKCCS-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF CCOc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)cc1F 587629469 RBWJIQVJWYKQAF-UHFFFAOYSA-N 365.763 4.792 0 1 FJAF Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587736424 ZUVXZUDKHQHREX-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C/C=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816241 VORCLYZLTGXRAQ-UMAQWPJBSA-N 360.270 4.942 0 1 FJAF CC(C)c1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587854821 UFEQZPYRDLBOQW-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@](C2CCCCC2)(C2CCC2)N1)C(F)(F)F 962764333 LQQLETYXICXORA-QUCCMNQESA-N 365.439 4.908 0 1 FJAF Cc1ccc(Nc2ccc3c(c2)/C(=C\c2ccc4c(c2)OCO4)C(=O)N3)cc1 1857571487 GWDJZOCXWXLHAA-VXLYETTFSA-N 370.408 4.960 0 1 FJAF COC(=O)CC[C@@H]1[C@H]2CCC[C@@]23CC[C@H]2CN3C[C@H](C(C)C)CC[C@]21C 2356545229 HJDGISYATUXIDQ-LCLYZWHDSA-N 361.570 4.893 0 1 FJAF COc1cc(Nc2ncc(-c3ccccc3OC)o2)ccc1-c1cnco1 3594948 KXTJBQJUKCOEPS-UHFFFAOYSA-N 363.373 4.757 0 1 FJAF COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2ccc(C)nc12 13442833 QWJILALUSUNXBN-UHFFFAOYSA-N 362.216 4.506 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](OC(=O)/C=C/C=C/c1ccc3c(c1)OCO3)C2 14860461 PRQIQLZCTBYMPT-CDGFNDPUSA-N 354.446 4.743 0 1 FJAF CCCOC1(OCCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccccc32)C1(C)C 27518234 FXQHUFQIJNCSSB-NHCUHLMSSA-N 352.498 4.598 0 1 FJAF CC[C@H](c1ccc(O)cc1)[C@@H](CSCCCN1CC1)c1ccc(O)cc1 27894639 YDLMGKWWAQECPL-YADHBBJMSA-N 371.546 4.814 0 1 FJAF CCNc1ccc(SCCCN2CCN(c3ccccc3C)CC2)cc1 28886555 NYIOORURWCMYTP-UHFFFAOYSA-N 369.578 4.731 0 1 FJAF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccc(F)cc2)o1 82164130 ZVYJCYWBMJHICD-UHFFFAOYSA-N 352.413 4.991 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586880738 RFNKHEIWGMYFOK-YVMONPNESA-N 364.348 4.940 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 586893036 UHRWJMVVEXQPNH-JLCFBVMHSA-N 372.472 4.540 0 1 FJAF CC(C)(C)c1cccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586984536 SEIMMCADMFIDEB-HNNXBMFYSA-N 372.310 4.865 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)cnc3[nH]2)s1 587013677 AZWZXWYHIYXOIN-MRVPVSSYSA-N 356.373 4.506 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)nccc2[nH]1 587035721 YVKINZDTPHXHOT-OAHLLOKOSA-N 364.474 4.752 0 1 FJAF COc1cc(/C=C/c2nc3cccnc3[nH]2)cc(Cl)c1OCC(C)C 587046685 JLVKQUPNUVRSOX-VOTSOKGWSA-N 357.841 4.825 0 1 FJAF CC/C=C/CCOC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106561 LLFZIUPFQZPMHT-ONEGZZNKSA-N 357.409 4.959 0 1 FJAF Fc1cc(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587107956 FLPKLJPFHXLJID-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3cn(C)cc3C(F)(F)F)nc2c1 587112660 PLYZRXRDZOQKCC-UHFFFAOYSA-N 358.161 4.658 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1SC(F)(F)F)O2 587382527 MRXUVGLIZKXNPW-CQSZACIVSA-N 353.365 4.896 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC)c(OC)c1)CC2=O 587475665 BTZSNFCRKIEKRE-QFIPXVFZSA-N 370.445 4.633 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(OC(C)C)c1)CC2=O 587480720 GFIRIZNBJJULLD-HXUWFJFHSA-N 370.445 4.847 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@@H]3CCCO3)s1)CC2=O 587492318 CBOJNEYWKQOKFW-IRXDYDNUSA-N 358.459 4.964 0 1 FJAF O=C1C[C@H](c2cc3ncnc(Cl)c3s2)Oc2c1ccc1c2CCCC1 587538618 QFDRGKWASIKJNU-OAHLLOKOSA-N 370.861 4.930 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556599 XUSWVINHDMFHPC-RXVVDRJESA-N 350.345 4.543 0 1 FJAF Cc1cc(-c2[nH]c3c(C(=O)O)cccc3c2N2CCCCC2)cc(C)c1O 587639504 YIRBGQGXMMMKKF-UHFFFAOYSA-N 364.445 4.846 0 1 FJAF CC(C)(C)OC(=O)[C@@H]1[C@@H]([C@H]2NCCc3c(Cl)cc(Cl)cc32)C1(C)C 963111583 QXBVAMUIMQMOFC-JYJNAYRXSA-N 370.320 4.794 0 1 FJAF CSC(=C[C@]1(c2ccccc2C)NCCc2ccc(O)cc21)SC 963344169 ZWOUBQBHYJKPCR-HXUWFJFHSA-N 357.544 4.657 0 1 FJAF Nc1nc(N)c2c3c(Sc4ccc5ccccc5c4)cccc3nc-2[nH]1 1772601754 WRYJHTYXYDBSCF-UHFFFAOYSA-N 357.442 4.532 0 1 FJAF CC(=O)Nc1cc(-c2ccc(C(C)=O)cc2)cc(-c2ccc(C(C)=O)cc2)n1 1772604121 GYSXGTIBQXAKRQ-UHFFFAOYSA-N 372.424 4.779 0 1 FJAF CCOC(=O)c1c(-c2ccccc2OC)[nH]c2c1cc(O)c1ccccc12 1857773731 FXSHPCFORZZMRQ-UHFFFAOYSA-N 361.397 4.879 0 1 FJAF C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N[C@@H](C)c1ccccc1 2356388483 HIMNMSPEQUFFGN-STQMWFEESA-N 370.836 4.539 0 1 FJAF c1ccc(-c2nc(-c3cccnc3)cc(N3CCc4ccccc4C3)n2)cc1 1497877 QJNVUCJUIGEIPN-UHFFFAOYSA-N 364.452 4.768 0 1 FJAF CCCCOC(=O)CCc1c(-c2ccccc2)nc2ccc(Cl)cn12 13765496 KIRPRELEDPYDDH-UHFFFAOYSA-N 356.853 4.931 0 1 FJAF COc1cccc(-c2ccc(C(=O)N(C)c3cccc(O)c3)s2)c1F 95584153 JTIDVFUKOMFCJN-UHFFFAOYSA-N 357.406 4.545 0 1 FJAF C/C=C(/C)C(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]12C 238742361 BFGZGYSBSJCPMQ-RRETVYCQSA-N 374.477 4.679 0 1 FJAF FC[C@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299865983 UZWHUYHSURJRRI-NSHDSACASA-N 352.232 4.577 0 1 FJAF CC(C)COc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1Br 586917109 LFTISOWRDYVMHL-ZBEGNZNMSA-N 367.287 4.848 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c[nH]nc4c3)nc3ccc(O)c1c23 586989354 GCKZBPVLMSRGTB-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF CC(=O)C[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991681 VMSYLGLLIFADEP-CYBMUJFWSA-N 357.409 4.551 0 1 FJAF Clc1cc(-c2nc3c(Br)ccnc3[nH]2)c2ccccc2n1 587085657 ZJIGPFAPCFOUTB-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CCOC(=O)Cc1c(C2CC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097238 JVXMXEGHOZIPSP-UHFFFAOYSA-N 371.436 4.738 0 1 FJAF Cc1[nH]nc2c1-c1nc3c(C)ccc4c3c(c1CC2)-c1ccccc1C4=O 587098339 XGYLMGQQGYRNHP-UHFFFAOYSA-N 351.409 4.552 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O 587101571 OFFZMEKFNGDPRF-QWHCGFSZSA-N 357.409 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cc(OC)c1)CC2=O 587462649 QEIASXWBTMLHOH-HXUWFJFHSA-N 360.837 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(OC)cc1C)CC2=O 587476113 DFNWXTOYJLIVAZ-JOCHJYFZSA-N 354.446 4.851 0 1 FJAF Cc1c(Br)cc2nc(CCOCc3ccccc3)[nH]c2c1C 587565715 ISHBEPVKHNAMAN-UHFFFAOYSA-N 359.267 4.702 0 1 FJAF C[C@]1([C@@H]2C[C@H]2c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600359 AZJPXBQUWBOFDS-KUIWHINRSA-N 372.420 4.916 0 1 FJAF C[C@H](CCc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602351 JKNNHWMFQXBQOC-YOJAFSQSSA-N 374.436 4.991 0 1 FJAF CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587610769 HCTBNLHWRDWQAE-VQIMIIECSA-N 367.426 4.675 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC(F)(F)CC2)N1 587720616 NPZZGFVNANKVGP-PSLIRLAXSA-N 362.233 4.989 0 1 FJAF Cc1ccc(NC(=O)CCc2nnc(CCCC(C)C)n2C2CC2)c(C)c1 653737494 MOJJWCCZEAQHHZ-UHFFFAOYSA-N 368.525 4.780 0 1 FJAF CC(=O)Nc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1 653882843 GYIIYNXUYDIWGD-UHFFFAOYSA-N 360.826 4.552 0 1 FJAF Cc1cccc(S(=O)(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)c1 1857561643 LJBFMMFROOECPM-UHFFFAOYSA-N 364.426 4.604 0 1 FJAF COc1ccccc1Nc1nccc(-c2ccc(C(=O)O)c(C(C)C)c2)n1 1857751656 QVCONQKKVPRFOU-UHFFFAOYSA-N 363.417 4.717 0 1 FJAF O=C(Nc1ccc(F)cc1)c1sccc1Nc1cccc2c1OCCO2 1857772196 PMUBRDNCIWKVPM-UHFFFAOYSA-N 370.405 4.654 0 1 FJAF COC(=O)C[C@H](C)CC[C@@H]1C(C(=O)OC)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356659549 IKUWKCBEPBSPCP-XNGFIGEISA-N 364.526 4.918 0 1 FJAF O[C@@H](c1ccccc1)c1nc(-c2cccc(OCc3ccccc3)c2)c[nH]1 61903935 SHXKSUCNBOLAFM-QFIPXVFZSA-N 356.425 4.737 0 3 FJAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccc(F)cc1 2493635 UFZGNQGUWZTYQZ-UHFFFAOYSA-N 374.799 4.956 0 1 FJAF O=c1cc(Cc2cccc3ccccc23)nc(SCc2ccccc2)[nH]1 5974573 MUHXHZVBMGZTRS-UHFFFAOYSA-N 358.466 4.806 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(NC(=O)C(F)(F)F)cc4CC[C@H]3[C@@H]1CCC2=O 34008783 NSTVTTJIJMWDHI-JEWRLFTDSA-N 365.395 4.613 0 1 FJAF CC1(C)CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1 34136407 YBDPFVPDVAAUOC-UYAOXDASSA-N 358.888 4.740 0 1 FJAF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(F)cccc2C(F)(F)F)c1 40834677 MUYCTSTXISIWPJ-INIZCTEOSA-N 370.371 4.635 0 1 FJAF CC(C)(C)c1ccc(CN2CCn3nc(-c4ccccc4)cc3C2=O)cc1 40864284 FKCFWSPSVBUPFU-UHFFFAOYSA-N 359.473 4.504 0 1 FJAF CCOC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)O[C@@](C)(CC[C@@H]21)C3 40891845 MXAHQWVPUPBXSZ-RHSMJXSCSA-N 362.510 4.648 0 1 FJAF O=C(CCCCCCc1ccccc1)c1nnc(-c2ccccn2)s1 40916073 PVCCIDZCPLBVCC-UHFFFAOYSA-N 351.475 4.976 0 1 FJAF COc1ccc(/C=C/c2nc3cc(Br)ccc3[nH]2)cc1OC 45321607 UZDJLLPGXBHNLY-XBXARRHUSA-N 359.223 4.513 0 1 FJAF O=C(Nc1ccc(Cl)cc1)N1CCC[C@](CCCO)(c2ccccc2)C1 49017829 YVZSCJHEMPRIEE-OAQYLSRUSA-N 372.896 4.678 0 1 FJAF CCOCCn1c([C@@H]2CCCN(C3CCCCC3)C2)nc2ccccc21 49051875 AUCPKYPLGAVYAF-GOSISDBHSA-N 355.526 4.585 0 1 FJAF NCCCCNc1nccc2c3ccccc3n(CCCc3ccccc3)c12 64447403 ZPXPEZOMJAZSFL-UHFFFAOYSA-N 372.516 4.973 0 1 FJAF Nc1ncnc2c1c(Cc1cccc3ccccc13)nn2C1CCCCC1 71295967 LXVCVZIBEYVACX-UHFFFAOYSA-N 357.461 4.658 0 1 FJAF CC(C)CN(C)C(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1 82132329 APJQBDNEZIUAIM-UHFFFAOYSA-N 366.509 4.616 0 1 FJAF CC[C@H](C)Sc1nc([C@@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352199 DMGVYRHFDSPCAD-UWVGGRQHSA-N 354.878 4.913 0 1 FJAF C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2 238739795 BZNBZVBEJHYNGR-YQMOXYSYSA-N 370.445 4.784 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586963412 NCZZDSCQMVUNFB-VIFPVBQESA-N 370.812 4.542 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C)c1Br 586978997 NKHPKMDTFGESIQ-UHFFFAOYSA-N 372.053 4.706 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2cccc(Cl)c2[nH]1 586980989 IJPBUESERVYQNM-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF Clc1cccc(-c2cc(-c3nc4c(Cl)nc(Cl)cc4[nH]3)n[nH]2)c1 587067941 BPGBICJWQGNIEO-UHFFFAOYSA-N 364.623 4.975 0 1 FJAF CCOC(=O)C1(c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)CCC1 587099242 XCRRIXOOIXYUGQ-UHFFFAOYSA-N 371.436 4.739 0 1 FJAF Fc1ccc(-c2cn3c(Cc4nc5ccc(F)cc5[nH]4)csc3n2)cc1 587166036 LABWXLPJSDWRPS-UHFFFAOYSA-N 366.396 4.808 0 1 FJAF CC1(C)CSC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587373084 KXMQATYHRAVJOV-WIYYLYMNSA-N 372.461 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ncccc1C)CC2=O 587469829 GOGBPMLEFQQULX-FQEVSTJZSA-N 362.429 4.545 0 1 FJAF O=C1C[C@H](c2c[nH]nc2-c2ccccc2F)Oc2c1ccc1c2CCCC1 587504118 MSKXEFLOZWFJAD-HXUWFJFHSA-N 362.404 4.801 0 1 FJAF CCc1cccc(C)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602691 LBOWDNGLILMGGN-NZQKXSOJSA-N 360.409 4.966 0 1 FJAF OCCc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783944 JPNINNOJQGIRDT-UKTHLTGXSA-N 370.452 4.847 0 1 FJAF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587809333 ACVMWVIVPOMSOJ-DJJJIMSYSA-N 362.286 4.889 0 1 FJAF CSCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587845564 NKLKYTHPIIRODN-ABKXIKBNSA-N 370.287 4.668 0 1 FJAF CCCCOC(=O)c1cc2c(cc1OC)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC2 653784978 MAZCINMSABJJPJ-SXWKCWPCSA-N 374.521 4.653 0 1 FJAF CCC1(C)CCC2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962657431 BQXTVFXYKXDTNW-XPPIMPSXSA-N 366.505 4.519 0 1 FJAF Cn1cncc1CCCO[C@@H](c1ccccc1)c1nc2ccccc2s1 1772653176 KBYBHOLQXQPBPK-FQEVSTJZSA-N 363.486 4.769 0 1 FJAF CCO[C@H](c1ccc2c(c1)OCO2)[C@@H](C)[C@H](C)Cc1ccc2c(c1)OCO2 2356668444 QBTFMURMTWNANN-GTQRCTGISA-N 370.445 4.737 0 1 FJAF NCc1nc2cc(NCc3ccccc3Sc3ccccc3)ccc2[nH]1 13445536 XLJMVHQJGGOMCU-UHFFFAOYSA-N 360.486 4.785 0 1 FJAF COc1cc(C=C2c3ccccc3C(=O)c3ccccc32)cc(OC)c1O 13524968 BFGRBDMQIUTZOC-UHFFFAOYSA-N 358.393 4.543 0 1 FJAF COc1ccc2c(c1/C=C/C(C)(C)OC)O[C@H](c1ccccc1)CC2=O 14455193 VGCABPVIACQUCY-SJFMBGHLSA-N 352.430 4.840 0 1 FJAF CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43011564 LRFHICDJSWCQTA-UHFFFAOYSA-N 353.441 4.607 0 1 FJAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2c(F)cccc2c1=O 45356714 YGNSZDGRZNVFSX-UHFFFAOYSA-N 373.383 4.554 0 1 FJAF COc1cc2c(cc1O)O[C@H]1c3cc(CC=C(C)C)c(OC)cc3OC[C@@H]21 49109756 YBJTWUNILZOAFZ-AOMKIAJQSA-N 368.429 4.528 0 1 FJAF biogenic C[C@@H](c1ccccc1)c1nc2c(C(F)(F)F)cccc2c(C(=O)O)c1O 58655461 XHHONXOGMOGSEV-JTQLQIEISA-N 361.319 4.809 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@H](NC(=O)Nc1cccc3scnc13)C2 169705004 RYLOMEUAVDSYHA-MRXNPFEDSA-N 365.502 4.883 0 1 FJAF C[C@H]1c2[nH]c3cc(-c4ccccc4)ccc3c2Cc2c(O)n(C)c(=S)n21 169729588 LVHIWXACQZNVKQ-LBPRGKRZSA-N 361.470 4.923 0 1 FJAF COc1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)ccn1 587097609 OQJUJMXSGYUZRT-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF Fc1cc2[nH]c(-c3cc4cnccc4nc3C(F)(F)F)nc2cc1Cl 587116071 MLEBTIXQDHSECG-UHFFFAOYSA-N 366.705 4.984 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587118597 RYCJLOVNOCIKIG-UHFFFAOYSA-N 358.323 4.775 0 1 FJAF Cc1c(Cl)ccc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587125970 ICRKHJBSWKQXOP-MADCSZMMSA-N 369.778 4.696 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](CCN(C)C)(c1cccc3ccccc13)O2 587385377 CIFHFPAVONAARX-XMMPIXPASA-N 374.484 4.543 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1nc(-c3ccccc3)cs1)O2 587414695 UYYKODIEPAUGBR-FQEVSTJZSA-N 350.443 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)c(F)c1)CC2=O 587465646 GOWQHBOLSKTOGQ-NRFANRHFSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(C)C)cc1O)CC2=O 587485443 WONYDQYEJZQYAZ-NRFANRHFSA-N 370.445 4.792 0 1 FJAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1cccnc1 587514536 ZLEXEFYJJHTXPD-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF COCCCOc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525280 UJYGAXCGDPQHBO-QFIPXVFZSA-N 366.457 4.687 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cccc(F)c12 587634556 JXWXJNQZURIIJY-UHFFFAOYSA-N 371.170 4.992 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3ccccc23)N1 587777282 GNRCPOCYRCFTCL-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(F)cc1F 587860722 FQLTTZXOFPIVBR-UHFFFAOYSA-N 354.278 4.845 0 1 FJAF CCCOc1ccccc1C(=O)n1nc(-c2cccc(F)c2)cc1OCC 587870296 DLTJFIJPGGPMBA-UHFFFAOYSA-N 368.408 4.565 0 1 FJAF O=C(c1ccccc1OC(F)(F)F)n1nc2cc1Oc1ccc(F)cc1-2 587873539 DCWPOTJVGQBTGI-UHFFFAOYSA-N 364.254 4.382 0 1 FJAF COc1cncc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957555 NKDICBJXHCILBI-UHFFFAOYSA-N 361.486 4.885 0 1 FJAF Cc1c(F)ccc2c1[C@]1(CCCc3c1[nH]c1ccc(Cl)cc31)NCC2 962376478 PNEYJNKXLIDJKD-NRFANRHFSA-N 354.856 4.994 0 1 FJAF Cc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc(C)c1O 962715926 PRZPBZBNWWSJLD-VGSWGCGISA-N 371.521 4.775 0 1 FJAF COc1ccc([C@@]2(C(C)C)c3c(F)cccc3C[C@@H]3CCCN32)c(F)c1 963100753 JFSHNLXQWOJODA-AOMKIAJQSA-N 357.444 4.894 0 1 FJAF CC(C)CCc1cn(-c2ccc(NC(=O)Nc3ccccc3F)cc2)nn1 1911570805 WZFOQCLRNWZEPP-UHFFFAOYSA-N 367.428 4.639 0 1 FJAF CC(C)c1ccc(NC(=O)c2scnc2CCc2ccncc2)cc1 14946548 CRENDBZETJAMRD-UHFFFAOYSA-N 351.475 4.699 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34315809 YEULSAXOJYTLCB-RLAPWRJVSA-N 359.554 4.739 0 1 FJAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)cc1 36271123 QGPBRSDGYQTSKG-PBASOCQRSA-N 369.892 4.820 0 1 FJAF C[C@H](N[C@@H]1CCCC[C@H]1NC(=O)c1ccccn1)c1cccc2ccccc12 36476027 KVMPYEHGZNAKJG-MTNREXPMSA-N 373.500 4.627 0 1 FJAF COc1cc2c(cc1OC)[C@H](Cc1ccc(-c3ccccc3)cc1)NCC2 40567182 TWQRQCHZCOBGHG-QFIPXVFZSA-N 359.469 4.800 0 1 FJAF CO[C@H]1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1 40951251 ZPZLQTRNWNNBTL-OAQYLSRUSA-N 371.546 4.607 0 1 FJAF O=C(Nc1ccccc1Cl)c1cccnc1SCc1ccncc1 64549244 HWHUZNXVYXCLGV-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF CCCCC[C@@H](O)CC(=O)CCc1ccc(O)c(OC2CCCCC2)c1 85629244 TUQHHHVPKHKJIA-GOSISDBHSA-N 362.510 4.937 0 1 FJAF biogenic,in-vitro COc1c2c(c(CC=C(C)C)c3occc13)N[C@H]1C(O)=CC=C[C@H]1C2=O 95909933 HWGJCIRYJFWOQH-SJKOYZFVSA-N 351.402 4.555 0 1 FJAF biogenic,in-vitro COc1ccc(-c2cnc3c(-c4cncc5ccccc45)cnn3c2)cc1 96270780 WWYYQZMZLKFKLG-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF O=C(Nc1cc(-c2nc3ccccc3o2)ccc1F)c1cnccc1Cl 96926864 QBZMYHABXDMPGR-UHFFFAOYSA-N 367.767 4.935 0 1 FJAF COc1ncc(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)c(C)n1 299867905 QSDPRQKKOXZCDC-UHFFFAOYSA-N 368.799 4.796 0 1 FJAF O[C@@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1Cl 587058596 HILFFQKAZPWYBA-CYBMUJFWSA-N 372.049 4.714 0 1 FJAF Nc1c(-c2nc3cc(Br)c(F)cc3[nH]2)ccc2ccccc12 587253765 PCHORULYUPKBKD-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(C1CCOCC1)O2 587379684 VXFIBFQLEAPLNL-NRFANRHFSA-N 371.864 4.518 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)OC(C)(C)C)cc1)O2 587399939 KYBPCGJHOOUIAC-SFHVURJKSA-N 369.417 4.598 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-n3ccnc3C)cc1)CC2=O 587471240 PAJWUCVYAJZRIR-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CC(C)c1nn(-c2cccc(Cl)c2)c2nc(C3CC3)cc(C(=O)O)c12 1857560292 HRSFEXDILLUXIK-UHFFFAOYSA-N 355.825 4.773 0 1 FJAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@H]2C=CCCC2)C(C)(C)C1 8580542 URSAPVYAZIFTPK-SESVDKBCSA-N 355.522 4.790 0 1 FJAF COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@H](c1ccccc1)C2 13476897 CHNMYFQAXCNAFN-LEWJYISDSA-N 363.501 4.815 0 1 FJAF Cc1cnc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)c(C)n1 14952159 XHHSLEFZWAJTTL-UHFFFAOYSA-N 373.869 4.508 0 1 FJAF CC(C)=CC[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954267 MZFCZPQWNWPYGZ-ZDUSSCGKSA-N 353.171 4.976 0 1 FJAF CC(=O)O[C@@H]1C[C@@]2(C)C(CO)=CCC[C@@H]2[C@@](C)(CCc2ccoc2)[C@@H]1C 39178590 LAJGASBCGGWVNQ-IZJVMPCUSA-N 360.494 4.525 0 1 FJAF O=C(Nc1ccccn1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12 40875080 RTXNEQZDIGHFON-UHFFFAOYSA-N 356.381 4.565 0 1 FJAF O=C1NC(=O)/C(=C/c2ccc(OCCCc3ccccc3)cc2Cl)S1 96282277 VLCAALZLZMMXOD-BOPFTXTBSA-N 373.861 4.676 0 1 FJAF Cc1cc2c(cc1C)Nc1c(c(=O)oc3ccc(Br)cc13)N2 101070944 GKCNKAMFWWPHLV-UHFFFAOYSA-N 357.207 4.973 0 1 FJAF C[C@@H](N)c1ccc(-c2c(O)cc(Cl)c3[nH]c(=O)c4sccc4c23)cc1 149785745 YTKKMJCRBAEEGJ-SECBINFHSA-N 370.861 4.789 0 1 FJAF COc1cc(-c2ncoc2-c2ccccc2SC)cc(OC)c1OC 205298170 GWYXTUQEFRVHKZ-UHFFFAOYSA-N 357.431 4.756 0 1 FJAF CCCO[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@H]2CO1 253651302 QAAPYLBSSDSCQW-GOTSBHOMSA-N 351.490 4.818 0 1 FJAF Cc1cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2cc1Br 586882493 WAMFIFWGSHSJAP-SREVYHEPSA-N 357.207 4.502 0 1 FJAF CCc1oc2ccccc2c1-c1nc2c(F)cnc(Br)c2[nH]1 586902399 ARKBNRRULCBYEW-UHFFFAOYSA-N 360.186 4.835 0 1 FJAF O[C@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586905045 XPYIEYAPSYNUET-BMIGLBTASA-N 352.743 4.804 0 1 FJAF COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1C 587016803 CEILMZXBOBJESE-UHFFFAOYSA-N 356.838 4.719 0 1 FJAF COc1ccc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2c1 587045065 ZUGAGSSBAVBHJS-UHFFFAOYSA-N 353.205 4.563 0 1 FJAF Cc1cc(C)n(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587098395 UQHCIIRTFRSAPY-UHFFFAOYSA-N 353.425 4.616 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)[C@@H](CC(=O)O)C4)-c1ccccc1C2=O 587101446 NIWBIBKOUSZSAC-QWHCGFSZSA-N 357.409 4.505 0 1 FJAF O=C(O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587146034 WBHZKFCAPGIKDK-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF Nc1ccc(/C=C/c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587251651 LAEWGLUNRSWKAR-ZZXKWVIFSA-N 353.731 4.868 0 1 FJAF CCc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587414709 VCCLUXTUMIILER-IBGZPJMESA-N 364.470 4.970 0 1 FJAF CCCOc1c(C)cc(C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587442163 OTTOWCRQEAZHJB-ZHRRBRCNSA-N 352.430 4.590 0 1 FJAF CCOc1ccc(C(C)C)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444095 XZMLJWRJFQPMKJ-VGSWGCGISA-N 352.430 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)F)nc1)CC2=O 587463448 AJHOJPQRZMHFFQ-SFHVURJKSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](c3ncccc3O)C1)CC2=O 587488624 QZNWPMONGGNRCV-RCDICMHDSA-N 367.445 4.507 0 1 FJAF O=C1C[C@@H](c2cc(O)ccc2Br)Oc2c1ccc1c2CCCC1 587501586 JDBWJQCZMZULMW-SFHVURJKSA-N 373.246 4.740 0 1 FJAF Cc1ccc(C2CC3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)cc1 587605136 XPMPQYYXEBFGIV-LBVATQBMSA-N 372.420 4.979 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cc[nH]c23)N1 587802514 MGOHAAYKBHIWDG-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ccc23)N1 587802537 MQJNOPCEVKGDSP-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF O=C(c1cc(Cl)c(O)c(Cl)c1)n1nc2cc1Oc1ccc(F)cc1-2 587872479 LRFJPKLMJMNYCN-UHFFFAOYSA-N 365.147 4.496 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 587951914 JTDGXNIXXHLPIC-PNESKVBLSA-N 356.388 4.659 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cccc([C@@H]2CCO2)c1 962719242 SVGDYZLGJNATAH-VOQZNFBZSA-N 369.505 4.740 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(O)c(OC)c(OC)c1)O2 2356648953 VDEMDVPOVCCUKO-HXPMCKFVSA-N 356.418 4.688 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)cc3F)cn12 3948374 WAFVJSSWBCFXDX-UHFFFAOYSA-N 358.323 4.592 0 1 FJAF COc1ccc([C@H]2Cc3ccccc3-c3nc(N)c4ccccc4c32)cc1O 28477566 HIYBIQFPFUJEDL-LJQANCHMSA-N 368.436 4.886 0 1 FJAF CNCCC[C@H]1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O 28528519 GTKJFGPZQFGMLW-HNNXBMFYSA-N 362.395 4.542 0 1 FJAF OCc1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 28822261 BOURELVCLKFSSO-UHFFFAOYSA-N 354.409 4.513 0 1 FJAF Clc1cccc(-c2cc(NCc3ccncc3)n3nccc3n2)c1Cl 28957172 CVYWYUAQFJMLEO-UHFFFAOYSA-N 370.243 4.710 0 1 FJAF in-vivo Nc1sc(-c2ccc(C(=O)O)cc2)cc1C(=O)c1ccc(Cl)cc1 64553470 PWOOHQIEOKVOGM-UHFFFAOYSA-N 357.818 4.580 0 1 FJAF CC(C)(C)N1CCC(N[C@H](c2ccc(Cl)cc2)c2cccnc2)CC1 72103452 JRHVVWUVSZIVBH-HXUWFJFHSA-N 357.929 4.677 0 1 FJAF O=C1NC(=O)/C(=C/c2ccc(OCC3CCCCC3)c(Cl)c2)S1 72109272 VMYDJCDMBGJBKY-DHDCSXOGSA-N 351.855 4.623 0 1 FJAF CC1(C)C[C@@](NC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72110931 CJUUSEPQKBDBOT-HXUWFJFHSA-N 358.869 4.946 0 1 FJAF Cc1cccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)c1 169315637 DCCIBUPSLSMHHL-OYNPSCLESA-N 369.892 4.820 0 1 FJAF O=C1O/C(=C\c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586905740 AGZWXMNSILLXTK-QPEQYQDCSA-N 364.710 4.904 0 1 FJAF Cc1c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cnn1C(C)C 586986700 FDEHHJYUUCJOAO-UHFFFAOYSA-N 369.424 4.905 0 1 FJAF Cc1nc2ccc(O)c3c2c(c1[C@H]1CCCCC1=O)-c1ccccc1C3=O 586991389 URVWXGQTLXSDCB-HNNXBMFYSA-N 357.409 4.687 0 1 FJAF N[C@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587057606 QBZATMSSPNRKGZ-GFCCVEGCSA-N 357.738 4.617 0 1 FJAF Cc1cc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587079590 DTSUBNXZOQTASO-OAHLLOKOSA-N 363.642 4.963 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587191860 OGLIYUIUPARJPZ-OAHLLOKOSA-N 372.856 4.568 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(Oc4ccccc4)c1)[C@@H](C2)C3=O 587442117 JZWPWWDNDGVFHC-WMZHIEFXSA-N 358.393 4.976 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(O)cc4)cc1)[C@@H](C2)C3=O 587452337 SMUWKCGIBWWZCL-WMZHIEFXSA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(S[C@@H](C)CC)nc1)CC2=O 587492220 NTXKRMBQNZAFDD-KPZWWZAWSA-N 372.490 4.732 0 1 FJAF CC[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600973 DKCRWXAKTPCHQE-NFBKMPQASA-N 360.409 4.745 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccccc32)N1 587819840 WVQMDMZMYPEQTQ-BLVKFPJESA-N 360.270 4.702 0 1 FJAF C[C@@H]1CCc2c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)csc2C1 587876905 WNHNBKOWKXXJKQ-SNVBAGLBSA-N 354.406 4.670 0 1 FJAF COc1cccc(C2(c3nc4cc(C(F)(F)F)cnc4[nH]3)CCCC2)c1 587931149 MGBTVVJUNXBQOG-UHFFFAOYSA-N 361.367 4.845 0 1 FJAF Cc1cccc([C@]2(C3CCCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963018912 FJDGIZNLZXIQBJ-BVZFJXPGSA-N 374.528 4.872 0 1 FJAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3cccc(F)c3)ccc2o1 3989614 OKOPCYYMBGBJLQ-OAHLLOKOSA-N 351.421 4.830 0 1 FJAF CCCCC(=O)c1cc(O)cc2c1C(=O)Oc1cc(O)cc(CCC)c1O2 13407219 UTCAPKNZOXKVCO-UHFFFAOYSA-N 370.401 4.748 0 1 FJAF biogenic CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](COC(=O)Nc2ccccc2)C1 13579461 NMJUFTXXNHJCGA-VQIMIIECSA-N 358.869 4.624 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395132 RPIWNKCKNAVMOS-JDOZCUFHSA-N 359.554 4.739 0 1 FJAF COc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1 28824797 SLOMAKGWPDOURV-PVXIVEMSSA-N 363.383 4.772 0 1 FJAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)nc1OC 34281737 HTRBFWGWMHHERZ-UHFFFAOYSA-N 357.498 4.712 0 1 FJAF Brc1ccccc1-c1nc(CN[C@H]2CCc3ccccc32)co1 72101165 SBNIIIXQTMZGTB-SFHVURJKSA-N 369.262 4.881 0 1 FJAF CCCCCn1c(CCC)nc2c(NCCc3ccccc3F)ncnc21 82180983 NLJGBSQEYHHLIX-UHFFFAOYSA-N 369.488 4.763 0 1 FJAF Cc1nc(N[C@H](C)c2cccc(O)c2)cc(-c2ccc3ccn(C)c3c2)n1 142462762 LMIDFWOVXKGRHU-CQSZACIVSA-N 358.445 4.822 0 1 FJAF Cc1cc(C(C)(C)O)ccc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144365449 PIUOKQXUOGNNFJ-UHFFFAOYSA-N 360.457 4.786 0 1 FJAF Cc1c(F)ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016685 AEQLLKKHZRQBCC-UHFFFAOYSA-N 351.406 4.736 0 1 FJAF C[C@@H]1CCc2sc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2C1 587033816 NKPWUQDNGHDYJD-MRVPVSSYSA-N 363.280 4.884 0 1 FJAF Cc1ccc2c3c(cc(-c4c(O)cc(O)cc4O)nc13)-c1ccccc1C2=O 587102274 USTCUVPNIPHXKE-UHFFFAOYSA-N 369.376 4.538 0 1 FJAF Cc1cnc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc2c1 587139013 ZPQHFYNUANHQLN-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(Cl)c2[nH]1 587174250 HZRAIDCCNCGGHK-CYBMUJFWSA-N 363.223 4.733 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418923 FAWPWCKHGUTAEA-KSSFIOAISA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC)cc1OC)CC2=O 587476112 DFICTNDTMVCSHW-QFIPXVFZSA-N 370.445 4.633 0 1 FJAF O=C1C[C@](c2ccccc2)(c2ccccn2)Oc2c1ccc1c2CCCC1 587515498 OVLMXLBYYVTDQS-DEOSSOPVSA-N 355.437 4.869 0 1 FJAF C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589433 OQCSCCOZIPRAON-NFBKMPQASA-N 371.392 4.751 0 1 FJAF C[C@]1([C@@H]2CC3CCC2CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603710 RAYYZPJNINOOPA-CBXGFCNHSA-N 364.441 4.939 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(ccn3C)c2)N1 587756792 MEWFEVHGWGQRGP-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Cl)ncc2[nH]1 587782523 OIZYUCATWLEFHM-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF COc1ccc(-c2nc3cc(C)c(Br)cc3[nH]2)c(OC)c1C 587788348 YSDAPHKURAGLLA-UHFFFAOYSA-N 361.239 4.626 0 1 FJAF COc1ccc(C)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807645 LCFXDVFVIBYEJO-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]3CC[C@H]2C3)N1 587819745 MWEOBJNUZVJZFV-XNAUFCNNSA-N 352.291 4.774 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)c(F)cc3[nH]2)cc1 587937150 NLDFYWFZBOAARO-OAQYLSRUSA-N 362.404 4.899 0 1 FJAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@H]2NCCc3c(Cl)cc(Cl)cc32)C1(C)C 963111588 QXBVAMUIMQMOFC-PMPSAXMXSA-N 370.320 4.794 0 1 FJAF COC(=O)C[C@H](CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)C(=O)OC 2356463491 AXMJAEHKLHWQFC-RQXXJAGISA-N 364.526 4.918 0 1 FJAF O=C(c1ccccc1F)N1CC[C@H]2C[C@H]1c1cc(N3CCCCC3)ccc12 103060071 WGNACKKMWWBSIB-AOMKIAJQSA-N 364.464 4.891 0 3 FJAF c1csc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 4266333 NXGMHYBAVIPUDE-UHFFFAOYSA-N 361.426 4.699 0 1 FJAF aggregator CCCOCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610554 GGISXFWOZXRFOK-CLWFVZRMSA-N 358.522 4.652 0 1 FJAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@H](C)c2ccccc2)c(O)c1 13782709 GVNZUKKMSRZBOQ-FYPAKXHLSA-N 353.462 4.804 0 1 FJAF CN(C)Cc1ccc2n1Cc1ccccc1S[C@@H]2c1ccc(F)cc1 13799832 BNYCBMXEHRYBIC-OAQYLSRUSA-N 352.478 4.932 0 1 FJAF CNCCNCc1cccc(-c2cccc(-c3nc4c(C)cccc4[nH]3)c2)c1 45192688 UQHKTXYHTOOPTH-UHFFFAOYSA-N 370.500 4.514 0 1 FJAF CC(C)Oc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 45385356 ABROVZYHTDQYCK-UHFFFAOYSA-N 360.413 4.648 0 1 FJAF CC(=O)Oc1c(C(C)C)cc2c3c1OC(=O)[C@@]31CCCC(C)(C)[C@@H]1CC2 49088105 CXRHZDTYOBUXDK-KSFYIVLOSA-N 356.462 4.665 0 1 FJAF O=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1ccc(C(F)(F)F)cc1 73199934 NOFNBEJYVZIQOD-KRWDZBQOSA-N 360.335 4.500 0 1 FJAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@@H](C)CC 82187574 DKMNDMFEFWXGLX-HNNXBMFYSA-N 369.488 4.619 0 1 FJAF CCOc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1 103278712 HHVLQUSSFINJKS-UHFFFAOYSA-N 370.355 4.867 0 1 FJAF CCn1cc(-c2ccccc2)nc1SCc1cn2c(C)cc(C)nc2n1 113421769 QTQIXWRUNFIPQS-UHFFFAOYSA-N 363.490 4.522 0 1 FJAF Cc1cc2c(cc1C)Nc1cscc1C(NCCN1CCCCC1)=N2 169338701 KRLKBJNUZHEPMN-UHFFFAOYSA-N 354.523 4.576 0 1 FJAF OCCc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064699 NFOREQHOGAILKQ-UHFFFAOYSA-N 368.820 4.590 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(F)c(Br)cc3[nH]2)n1 587081271 YUBFPAQBYWGROX-SSDOTTSWSA-N 371.641 4.952 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587106537 JBRDRMFBPDCMSF-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF COc1ccc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c2c1 587122385 KSLRDAMEORFFJP-UHFFFAOYSA-N 368.380 4.904 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(-c3ccc(Cl)nc3F)[nH]c2c1 587177207 CIMFCNHHXFOLNW-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF Cc1cc(Br)c2[nH]c([C@@H](C)c3ccc(N(C)C)cc3)nc2c1 587197243 MRWCXPRZVJGAJE-LBPRGKRZSA-N 358.283 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCSc3ccc(OC)cc31)CC2=O 587497329 VOKFUOYTSYOSEK-OAQYLSRUSA-N 370.470 4.710 0 1 FJAF CCn1nc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516948 YCSMKLCEZCTGSN-KRWDZBQOSA-N 374.484 4.902 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(CCNC(=O)OC(C)(C)C)c(C(=O)OC)c2c1 587642255 KNFXAPKRWWNZNW-ZDUSSCGKSA-N 374.481 4.535 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CC=C2Cl)N1 587704885 KXNNMYDSIVBFSC-HWPZZCPQSA-N 354.650 4.566 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2ccccn2)N1 587772003 MUMDHFYUCGXGPG-LRDDRELGSA-N 363.274 4.581 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(Cl)ccn1 587861106 NOBTWDKNQCGWLS-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF CN1CCC[C@@H]1[C@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962673116 ZQEVYQKVOLDRSK-OYRHQHFDSA-N 360.545 4.979 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](CCCC2OCC(C)(C)CO2)N1 962938908 ANJNPFMCOOAGFE-HNAYVOBHSA-N 356.510 4.703 0 1 FJAF CCOP(=O)(CC[C@H]1NCCc2c(Cl)cc(Cl)cc21)OCC 963111790 SGSKYLBRNNPWAU-OAHLLOKOSA-N 366.225 4.836 0 1 FJAF CSc1ccccc1[C@]1(C2CCCC2)NCCc2c(C(=O)O)cccc21 963130586 KLSTWXHGSIOQLY-JOCHJYFZSA-N 367.514 4.686 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]2(c1ccc(C)cc1)C(F)(F)F 963260916 ZYWSIUFBFPWDOX-QGZVFWFLSA-N 355.787 4.609 0 1 FJAF c1ccc([C@H]2c3ccccc3-n3nncc3CN2CC2CCCCC2)cc1 61943095 BBLHNNXTZCTYMQ-QHCPKHFHSA-N 358.489 4.753 0 3 FJAF c1ccc(Cc2nc(Cc3ccccc3)nc(Cc3ccccc3)n2)cc1 1724121 ZIESXXOIKYIAIN-UHFFFAOYSA-N 351.453 4.644 0 1 FJAF COc1ccc(C(SCCO)(c2ccccc2)c2ccccc2)cc1 6040215 YGBDGLMWFPTUFS-UHFFFAOYSA-N 350.483 4.713 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 34190568 RDPJISLOFXUIDK-LZELGGJRSA-N 357.538 4.515 0 1 FJAF CCCC[C@@]12C[C@]1(C(=O)Oc1ccccc1)C(=O)Nc1ccc(Cl)cc12 34821530 VIDRLXIQSOUTDO-LEWJYISDSA-N 369.848 4.716 0 1 FJAF c1ccc(-c2ccc3nc(-c4ccccc4)c(CN4CCOCC4)n3c2)cc1 40387135 GJBCFSMQUBYIJW-UHFFFAOYSA-N 369.468 4.501 0 1 FJAF COc1ccc(SC[C@H](O)COc2ccc(-c3ccccc3)cc2)cc1 84689319 WSQRYGIXUAYHBO-LJQANCHMSA-N 366.482 4.894 0 1 FJAF O=C(CCc1ccccc1)Cn1nc(-c2ccccc2)nc1-c1ccccc1 87722454 BGPZQELSIFRJDI-UHFFFAOYSA-N 367.452 4.814 0 1 FJAF Cn1c(SCc2ccccc2Cl)nc2c3ccccc3nc-2c1O 100705665 ZMEYSJKFMJVAHR-UHFFFAOYSA-N 355.850 4.724 0 1 FJAF COc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 143110042 OFIJPQROYUEUGD-UHFFFAOYSA-N 367.412 4.925 0 1 FJAF CCCn1c(-c2ccc(C)cc2C)cs/c1=N\C(=O)c1ccccc1 207576569 BOEFQMSIYPPWFH-DQRAZIAOSA-N 350.487 4.985 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299821173 YEULSAXOJYTLCB-LZELGGJRSA-N 359.554 4.739 0 1 FJAF Fc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c(F)c1F 587012885 MUOVFXSFYDESJF-UHFFFAOYSA-N 374.185 4.744 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2nccc(Cl)c2[nH]1 587077029 PLRBSZLWPVEWOC-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF COc1cc2c(cc1Br)Cc1c-2nc2cccc3c2c1CC3 587208604 VTGBOLNJCDKJBU-UHFFFAOYSA-N 352.231 4.676 0 1 FJAF CC(=O)NC1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)CCC(C)CC1 587233743 BVSNMXCINWDBKE-UHFFFAOYSA-N 363.461 4.897 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C3CCCCC3)nc1)CC2=O 587492041 VZUQGELRWPFXLZ-HXUWFJFHSA-N 366.461 4.889 0 1 FJAF Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587556329 JKKWFSBNBHGFGA-LAUBAEHRSA-N 368.335 4.682 0 1 FJAF C[C@@]1(c2cccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569179 PHVSBSGPCQEITH-UTKZUKDTSA-N 368.335 4.547 0 1 FJAF CC(C)c1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587609789 DITRFVQTWYUNCL-VQIMIIECSA-N 367.426 4.675 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3cc(F)ccc3F)c(C(=O)C(=O)OC)c2c1 587642741 PVTCTBLLYMABOZ-LLVKDONJSA-N 371.383 4.982 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccncc3c2)N1 587778238 LUVQSDMIOKLDLD-NSPYISDASA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccccc1C 587870289 DITZTLPKGZLWSX-HNNXBMFYSA-N 368.408 4.504 0 1 FJAF COc1ccc2nc(-c3ccc(-n4nnc5ccccc54)cc3)sc2c1 653887827 NRAXYCIYIXKBHC-UHFFFAOYSA-N 358.426 4.706 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccco3)o1)N(C)[C@@H](C)C2 962618135 BPFQJTOEIJSCQS-RNODOKPDSA-N 353.418 4.523 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc2cc(NC(C)=O)ccc2n1 963237738 ZHBLCLBYCMVPDH-VOIUYBSRSA-N 373.500 4.939 0 1 FJAF COc1cc(Br)c(-c2nc3ccc(Cl)cc3[nH]2)cc1OC 1250447316 GCGCQGZLLLKJIT-UHFFFAOYSA-N 367.630 4.663 0 1 FJAF Cc1ccc(-c2ccccc2CNC(=O)CCc2ccc3c(c2)OCO3)cc1 1772632093 MVIPHEAWHRSTPV-UHFFFAOYSA-N 373.452 4.640 0 1 FJAF CCOc1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1 1857589355 AWMYMDAZZMXVJR-UHFFFAOYSA-N 368.440 4.954 0 1 FJAF Cc1nc(-c2ccccc2)sc1COc1ccc(CCC(=O)O)cc1 1857621506 KXGLQKVHMXHXKL-UHFFFAOYSA-N 353.443 4.715 0 1 FJAF CC(=CCCc1ccoc1)CC(=O)C[C@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 2356450080 HSIIPIZSJWLXTE-HJNYFJLDSA-N 374.477 4.541 0 1 FJAF C[C@]1(Oc2ccc(Cl)cc2)CCN(Cc2cccn2-c2nccs2)C1 61929196 WGYSJJLXSWGZDW-IBGZPJMESA-N 373.909 4.631 0 3 FJAF COc1ccc([C@H]2CC(c3ccc(Cl)cc3Cl)=NN2C(C)=O)cc1 688044 ZILHOWSLDDADJX-GOSISDBHSA-N 363.244 4.700 0 1 FJAF O=C1CS[C@@H](c2c(Cl)cccc2Cl)N1c1ccc(Cl)cn1 3587234 DQYNAPRNBCHHGF-AWEZNQCLSA-N 359.665 4.820 0 1 FJAF Cc1ccc2c(c1)C(c1ccncc1)=NNC(c1ccc(C(C)C)cc1)=N2 8578776 CAMVYOQWLKWRDB-UHFFFAOYSA-N 354.457 4.947 0 1 FJAF Clc1ccc(OCCN2CCc3ccccc3C2)c2c(Cl)c[nH]c12 13798079 JNCKAKFEWBOACV-UHFFFAOYSA-N 361.272 4.912 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(Cl)cc3C)c(C)nn12 28361743 LMDUCZCBFJTADT-UHFFFAOYSA-N 371.916 4.996 0 1 FJAF CCCCCCSc1cc(C)c(C(=O)CCN2CCOCC2)c(C)c1 43061064 RMNWDULQKOVWMU-UHFFFAOYSA-N 363.567 4.881 0 1 FJAF Oc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1 43070513 UJJLJWWRECUSBP-UHFFFAOYSA-N 372.266 4.824 0 1 FJAF Fc1ccc([C@@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 72112513 WOPYGCGXARBGTL-CVEARBPZSA-N 363.223 4.870 0 1 FJAF OCC[C@H](Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1 73257233 HOBMVEVXDIOMDM-SFHVURJKSA-N 361.470 4.894 0 1 FJAF CC(C)NC(=N)c1c(O)nsc1Nc1ccc(Nc2ccccc2)cc1 101101205 LAJUJYZJMGSWMQ-UHFFFAOYSA-N 367.478 4.659 0 1 FJAF COc1ccc(OC)c(/C=C/c2nnc(Nc3ccc(Cl)cc3)o2)c1 103193604 CJHCRQWJQHNXKV-XCVCLJGOSA-N 357.797 4.654 0 1 FJAF C[C@]12CC[C@H]3[C@H]([C@@H]1CC=C2c1cccnc1)[C@H]1C[C@H]1C1=CC(=O)NCC[C@@]13C 148067019 NGPGHBZFVCFLRH-BPTGSCHKSA-N 374.528 4.620 0 1 FJAF CCCc1cc(O)cc2c1Oc1c(Cl)c(O)cc(CCC)c1C(=O)O2 169309033 NRAMLPPUDKVQNJ-UHFFFAOYSA-N 362.809 4.981 0 1 FJAF CC1(C)COc2c(-c3nc4cc(Br)c(F)cc4[nH]3)cccc21 586912502 UUNRFHQHHWWDBR-UHFFFAOYSA-N 361.214 4.802 0 1 FJAF COc1cc(OC)c2[nH]c(Cc3sc(-c4ccccc4)nc3C)nc2c1 587011295 JFCBQQCBDNMMPY-UHFFFAOYSA-N 365.458 4.603 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)n1 587020439 SKORZHKBCMRPAL-UHFFFAOYSA-N 373.894 4.731 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(ccc4ncccc43)[nH]2)s1 587023044 IJQPPCYLIOECER-UHFFFAOYSA-N 367.434 4.582 0 1 FJAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cccc(C(F)(F)F)c3[nH]2)n1 587118840 QCFAFAUVJOTXOZ-UHFFFAOYSA-N 374.288 4.723 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(O)cc1)[C@@H](C2)C3=O 587452397 UEQOUOHUDSAJCL-WMZHIEFXSA-N 358.393 4.557 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c1ccc1ccccc41)[C@@H](C2)C3=O 587454659 VMZKQWKNRUXDNW-YADARESESA-N 372.420 4.664 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(F)(F)F)c1)CC2=O 587464579 TXJHXAKUIXPMAU-QGZVFWFLSA-N 366.335 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C)c1OC(F)F)CC2=O 587468024 WCJQCTPGHYBBKJ-QGZVFWFLSA-N 362.372 4.961 0 1 FJAF Cn1ccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc21 587580518 YLQMEVSGEWNSDF-OFNKIYASSA-N 371.392 4.587 0 1 FJAF CC[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609847 DUBZENULXRSEPW-NQIIRXRSSA-N 366.438 4.807 0 1 FJAF C[C@@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cccc(F)c12 587632570 KFCFCGFHYMZMKX-SECBINFHSA-N 362.198 4.925 0 1 FJAF CC[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587728006 CMIYNUIKIWSGTA-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2(c3ccccc3)CC2)N1 587820706 QEUINDGRBBVZIT-KZULUSFZSA-N 360.270 4.895 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cc1 587935418 KNXGUGSSTMLMSY-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF COc1cccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)c1 653884750 IPYHNVZRKHHBGI-JRFVFWCSSA-N 370.452 4.836 0 1 FJAF CCc1cccc(F)c1[C@H]1NC2(CC2)Cc2ccc(Br)cc21 961613241 HJFBQGZVLLEMOP-SFHVURJKSA-N 360.270 4.918 0 1 FJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@]12C[C@@H]1C=C[C@H]2C1 961778737 QQLVEJVYVIVLNY-LPXYKDPNSA-N 366.505 4.629 0 1 FJAF c1ccc(CSc2cccc(NCc3nc(-c4ccncc4)n[nH]3)c2)cc1 1772593795 HCTOJBBRKLPPTD-UHFFFAOYSA-N 373.485 4.771 0 1 FJAF COc1ccc(-c2c([C@H](OC(C)(C)C)C(=O)O)n(C)c3ccccc23)cc1 1857587867 HPWVNUQOYPAJLS-FQEVSTJZSA-N 367.445 4.795 0 1 FJAF COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)cc1 10772298 SUGHDBQKQHRRIZ-UHFFFAOYSA-N 360.413 4.508 0 1 FJAF CCN(C)C(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491306 FZFQDYVKBSLZNR-UHFFFAOYSA-N 360.413 4.784 0 1 FJAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCCCCc2ccccc2)C1 13782826 NUVNZEOHVSPIKR-HSZRJFAPSA-N 363.501 4.588 0 1 FJAF CC[C@H](O)C(C[C@H](C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 28000806 YHPOEDVSZWYMCZ-CVDCTZTESA-N 351.534 4.864 0 1 FJAF O=[S@@](c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)F 28220211 QSZRZIJVHPBXHB-RUZDIDTESA-N 372.318 4.649 0 1 FJAF CNCCC[C@]1(C)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28528301 JTBUWXHKRDNJAX-OAQYLSRUSA-N 356.897 4.875 0 1 FJAF C[C@@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 36093071 NDIIKLHONTYYRL-YFZFPPMRSA-N 358.888 4.692 0 1 FJAF Cc1ccccc1[C@@H]1CCN(C[C@@H]2CCc3cccnc3[C@@H](O)C2)C[C@H]1C 38307529 OASYXJZGABKMRD-NNLJWKLDSA-N 364.533 4.502 0 1 FJAF CC(C)=CCOc1ccc([C@@H]2C[C@@H]2c2nnc3c4ccccc4cnn23)cc1 49126116 KBTQEIXHEKZRPX-SFTDATJTSA-N 370.456 4.894 0 1 FJAF C=C=C[S@@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 58520401 TWJIXIMVSAVZGQ-AZXLKLIUSA-N 358.547 4.934 0 1 FJAF c1ccc(-c2nccn2-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1 64553079 XNWDFOJJGQRDNC-UHFFFAOYSA-N 370.441 4.683 0 1 FJAF CCCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 66099792 JWDUEFLRFMKAES-UHFFFAOYSA-N 362.473 4.677 0 1 FJAF Cn1c(-c2ccc(N)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1 71319343 DQXJSPWIZXASJC-UHFFFAOYSA-N 373.287 4.841 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(Oc1ccc(Br)cc1)(c1ccccc1)C2 101506819 XHYHVAYZMMJUNP-QZTJIDSGSA-N 372.306 4.980 0 1 FJAF Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 101961545 KDQMZSJCFQGRAU-INIZCTEOSA-N 361.207 4.780 0 1 FJAF O=c1cc(-c2ccccc2)oc2cc(N3COc4ccccc4C3)ccc12 103156799 KRJGOCHRQPRGJC-UHFFFAOYSA-N 355.393 4.817 0 1 FJAF COc1ccc(-c2nc(Nc3ccc(O)cc3)c3ccccc3n2)cc1OC 103256178 FDNPFGBDBFAJFN-UHFFFAOYSA-N 373.412 4.763 0 1 FJAF CC(=O)O[C@H](C[C@@]1(C)[C@@H]2CCC=C3C(=O)OC[C@@]32CC[C@H]1C)c1ccoc1 105495178 DZAYTXGDCMMRGZ-AKSHTRIKSA-N 372.461 4.590 0 1 FJAF endogenous,in-man Cc1cc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Oc1ccccc1 223408414 BSFGKWICIAYJPQ-UHFFFAOYSA-N 369.424 4.617 0 1 FJAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1(C)C 253647189 QMXMQVFBAZCMSE-FPOVZHCZSA-N 356.460 4.568 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586964116 UZKJTYUQVOINGJ-LBPRGKRZSA-N 369.277 4.917 0 1 FJAF CC(C)[C@@H](c1nc2cc(Cl)cnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197786 ODNLDRKHNWWVMO-INIZCTEOSA-N 372.856 4.577 0 1 FJAF Clc1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1Cl 587229938 MXJNFZOIDUQNJB-UHFFFAOYSA-N 370.243 4.939 0 1 FJAF CC/C(C)=C(/N)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587339356 SXJDYZCSKYJUEI-WJLGLCPTSA-N 369.436 4.682 0 1 FJAF CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350176 HJZFRNROABZHIV-UYKQMDHISA-N 352.405 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(Cl)c(Cl)c1)CC2=O 587462763 SLURSOJEAOXZPL-OAHLLOKOSA-N 352.217 4.753 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2F)N1 587725190 CAYMLPWGAFVLPR-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2CCC3)N1 587816690 ZZBDKWSGAHQSIY-MPBGBICISA-N 374.297 4.875 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@H]1[C@@H]1CCCCCN1 963115336 VWRVSQUQTYFXMP-UDIDDNNKSA-N 356.529 4.764 0 1 FJAF O=C(c1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1)C(F)(F)F 963117728 XPWJJLHKZGZTDI-MAUKXSAKSA-N 363.354 4.681 0 1 FJAF Cc1ccccc1NC(=O)c1c(C)nc2c(c1-c1ccco1)C(=O)CCC2 1857618674 RNUBUJHKWSZSED-UHFFFAOYSA-N 360.413 4.730 0 1 FJAF CC(=O)OCC1=C(C(=O)O)C=CC=C[C@@](C)(CCc2ccoc2)[C@H](C)CC1 2356384157 LLUXACMGLPHSNY-ZHRRBRCNSA-N 372.461 4.705 0 1 FJAF COc1cccc([C@@H](NC(C)=O)c2nc(/C=C/c3ccccc3)cs2)c1 61906077 RHNJGXNKPFVBMW-YVNCXZRQSA-N 364.470 4.548 0 3 FJAF Cc1nc2c(OCc3cccc(Cl)c3)cccn2c1N(C)CC1CC1 61927282 JKMYVTYWDKMHGH-UHFFFAOYSA-N 355.869 4.721 0 3 FJAF COc1ccc(CN2C(=O)[C@H](n3ccc4ccccc43)c3ccccc32)cc1 206027154 XJJAADPXZLUGDM-HSZRJFAPSA-N 368.436 4.786 0 3 FJAF CC(=O)O[C@H](C[C@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 5808746 DZAYTXGDCMMRGZ-DYLBNHOVSA-N 372.461 4.590 0 1 FJAF Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1C 14945211 VCSQVKQFGYRGEH-UHFFFAOYSA-N 371.440 4.858 0 1 FJAF Cc1cc(N2CCCNC2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 27212124 DMSXJMHCVZWNTG-UHFFFAOYSA-N 354.450 4.844 0 1 FJAF CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1 28522955 JJCOCAHXDPGPEH-UHFFFAOYSA-N 367.836 4.939 0 1 FJAF O=C1N(CCCCCCOc2ccc(Cl)cc2)CCN1c1cccnc1 29402202 NRDVJIXLWJBMCA-UHFFFAOYSA-N 373.884 4.616 0 1 FJAF Cc1cc(C)nc(Sc2ccc(NC(=O)Nc3ccccc3)cc2)n1 34462969 WQIRULKPFFTAMD-UHFFFAOYSA-N 350.447 4.889 0 1 FJAF C[C@]1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC1(Cl)Cl 34659887 BBFYMAXRHYOFPI-GOSISDBHSA-N 366.288 4.835 0 1 FJAF Clc1ccc([C@H]2NC(N3CCCC3)=NC3=C2CCc2ccccc23)cc1 45302896 KYSMHUKHOGSUDY-HXUWFJFHSA-N 363.892 4.794 0 1 FJAF O=C(c1cccc(Cl)c1Cl)N1CCn2cc(-c3ccccc3)nc2C1 95565432 VPWRUGASYZYASY-UHFFFAOYSA-N 372.255 4.513 0 1 FJAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(OC)cc1 100705807 AQBOULCBMVCISI-UHFFFAOYSA-N 365.458 4.742 0 1 FJAF Cc1cc(NS(C)(=O)=O)ccc1-c1ccc(Oc2ccccc2)cc1 149298932 RUHAKAZZMOIMAP-UHFFFAOYSA-N 353.443 4.826 0 1 FJAF COc1cc(N2CC[C@@H](c3ccccc3Cl)C2=O)ccc1-c1cnco1 584629723 MTQMNLOKLUAAGN-HNNXBMFYSA-N 368.820 4.524 0 1 FJAF OCCCCCCCCCCCc1nc2cc(-n3cccn3)c(F)cc2[nH]1 586894498 IREVHQOBNKPDNL-UHFFFAOYSA-N 372.488 4.933 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 586915968 JJBVLCRLTPRHID-YJYMSZOUSA-N 358.800 4.572 0 1 FJAF CC(=O)c1ccc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2c1 587164099 WLPSVGMZAYMVKZ-UHFFFAOYSA-N 358.372 4.803 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(F)c1)(c1ccccc1F)O2 587384608 FWUBVSDEPVSWCE-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF CCc1cccc([C@@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444715 GHZLPHBCQGXUEL-PXDATVDWSA-N 370.448 4.949 0 1 FJAF C[C@@]1(c2ccc(-n3ccnc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517019 ZEYFMWJVDRYQER-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF COc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587523549 KCFORHZZHLNCOH-LJQANCHMSA-N 352.430 4.598 0 1 FJAF C[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554735 FCSOJDJWAGMQFK-WIYYLYMNSA-N 368.335 4.547 0 1 FJAF CC[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569717 IZEZQORIXIPECE-SIKLNZKXSA-N 364.372 4.798 0 1 FJAF Cc1ccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587592414 YOHXHXWNJVJQBW-NZQKXSOJSA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]ccc2c1 587592914 ZFBJLTSRPQHORF-UGKGYDQZSA-N 357.365 4.576 0 1 FJAF C[C@@]1(c2ccccc2S)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611946 HSQXHGBWCIYUBW-RXVVDRJESA-N 364.422 4.558 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CC[C@@H]1CCCN1C 587860173 QHKVVCAPFAFCIW-AWEZNQCLSA-N 368.308 4.740 0 1 FJAF CNCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772621364 GNYHVDVENWHMKR-UHFFFAOYSA-N 357.668 4.513 0 1 FJAF O=C(O)c1cccc(NCc2ccc(OCc3cc(F)cc(F)c3)cc2)c1 1857651204 SUVMRGNIYQUDAM-UHFFFAOYSA-N 369.367 4.854 0 1 FJAF COC(=O)c1cc(CC=C(C)C)c2c(c1)C[C@H]([C@](C)(O)CCC=C(C)C)O2 2356338489 YSLSPYQDOAYNCM-NFBKMPQASA-N 372.505 4.783 0 1 FJAF CC(=O)OC[C@]1(C)CC[C@@H](C(C)C)C=C[C@@](C)(O)CCC=C(C)CC1=O 2356519436 BHSGVCGSYDQSIG-HJNYFJLDSA-N 364.526 4.615 0 1 FJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@H]1C(=O)N(C)C 4310712 YEIQIXQPDOJJJZ-DLBZAZTESA-N 354.853 4.581 0 1 FJAF Cc1nc(CCCCCC(=O)Cc2ccccc2)n2nc(Cl)ccc12 5891694 YHOPWILJLKVXHS-UHFFFAOYSA-N 355.869 4.606 0 1 FJAF C=C/C=C1\C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C12 26483947 GVMYVUUOWVTMJJ-UXTYOURMSA-N 364.485 4.991 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C(=O)O)cc21 28571561 NSIMWGJISYLRDI-SJCJKPOMSA-N 350.245 4.878 0 1 FJAF CC1CCN(c2ccc(N)cc2C(=O)c2cccc(C(F)(F)F)c2)CC1 29341867 RVJJMMQXLXMPPS-UHFFFAOYSA-N 362.395 4.755 0 1 FJAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3cccc(Cl)c3)=N2)cc1 34044817 XFISQBRWEJAIKH-UHFFFAOYSA-N 368.814 4.912 0 1 FJAF Cc1ccccc1-c1[nH]c(=S)[nH]c(=O)c1Cc1c(O)ccc2ccccc12 40949949 ZWFSXODBSLQOBT-UHFFFAOYSA-N 374.465 4.858 0 1 FJAF C[C@@H]1c2cc([C@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C 58603652 BRZMIZNCFORRIR-ZYNUUPFYSA-N 369.512 4.944 0 1 FJAF COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3ccc(C)cc3)c12 64528078 RVHWQMPLKAXOCX-UHFFFAOYSA-N 357.431 4.584 0 1 FJAF COc1cccc(CNCc2coc(-c3cccc4ccccc34)n2)c1OC 72101949 GXENUHUEXIVHQI-UHFFFAOYSA-N 374.440 4.802 0 1 FJAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)s3)c(-c3ccco3)n2)o1 82165344 BNRCMBLIDKRYAA-UHFFFAOYSA-N 366.446 4.990 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C=C(Br)CC[C@@]43C)[C@@H]1CCC(=O)N2 95557222 KIFTZTYWJTXGRO-DZBHQSCQSA-N 364.327 4.707 0 1 FJAF CSc1ccc([C@H]2CC[C@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704903 BMPPXPJQMXLRFH-GJZGRUSLSA-N 366.490 4.743 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4cc(C)cc(C)c4[nH]3)n2C)cc1 586965987 YEEMOUZQXPJNQG-UHFFFAOYSA-N 363.490 4.576 0 1 FJAF Cc1ccc2c3c(cc(CN4CCC[C@@H](C)C4)nc13)-c1ccccc1C2=O 587098459 VHFMQHBNJXVIOF-OAHLLOKOSA-N 356.469 4.987 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(C(=O)O)o4)nc13)-c1ccccc1C2=O 587100570 DFBJNXDMDGKEIM-UHFFFAOYSA-N 355.349 4.713 0 1 FJAF Cc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 587222386 ZDVXVVBKNBNRRE-NRFANRHFSA-N 355.441 4.699 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1-c1ccc(Cl)cc1)O2 587378648 DDRWYSBSMPYJNA-IBGZPJMESA-N 364.832 4.999 0 1 FJAF O=C1C[C@H](c2ccc(-c3cc[nH]n3)s2)Oc2c1ccc1c2CCCC1 587531911 NNGCDTTYEUXURU-QGZVFWFLSA-N 350.443 4.724 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1sccc12 587616989 IJMXYRZTSXSMCX-GHTZIAJQSA-N 364.422 4.647 0 1 FJAF Cc1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(Cl)cc1Cl 587638584 NYUWUTJWGZWFJO-UHFFFAOYSA-N 363.200 4.734 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C2CC2)N1 587855491 WAGYMYNIBNJRDE-BTDLBPIBSA-N 366.299 4.838 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc2ccccc2[nH]1 587866926 SVBFMVFWFWOXIW-UHFFFAOYSA-N 372.350 4.833 0 1 FJAF COc1cc2c(cc1OC)[C@]1(c3ccc(Cl)cc3C[C@H]1C)N(C)[C@@H](C)C2 962638367 PQHUSZMDZJFDPI-QLEMLULZSA-N 371.908 4.669 0 1 FJAF Clc1ccc2ncc([C@H]3c4ccsc4CCN3Cc3ccco3)n2c1 962714097 YJLGOPBETRZZED-LJQANCHMSA-N 369.877 4.790 0 1 FJAF O=C(O)CCCOc1ccc(-c2cc(-[n+]3ccsc3)ccc2Cl)cc1 1772611788 ZCDOYWLFSUMNLJ-UHFFFAOYSA-O 374.869 4.589 0 1 FJAF Cc1ccc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)cn1 1772632542 SNPORVMVKFFDMI-UHFFFAOYSA-N 352.441 4.580 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2cccc(Cl)c21 1857592334 SNFLLNILEBWDGJ-UHFFFAOYSA-N 362.860 4.994 0 1 FJAF COc1ccc2c(c1)c(Cc1c(C)n(C)c3ccc(OC)cc13)c(C)n2C 1631657 GAHNCSVYQXYSTN-UHFFFAOYSA-N 362.473 4.895 0 1 FJAF CC(C)CCN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@@H](C)C3 7991978 AIXQLNDNGJLHFO-KRWDZBQOSA-N 350.506 4.614 0 1 FJAF O=C(O)c1cccc2oc(-c3cccc4oc(-c5ccccc5O)nc34)nc12 13369802 WJXUJNREOOYKAO-UHFFFAOYSA-N 372.336 4.707 0 1 FJAF biogenic CN1[C@H]2CC[C@@H]1C[C@@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccccc1 26500698 AAEKULYONKUBOZ-GTAWCEEGSA-N 355.865 4.512 0 1 FJAF O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)nc1CC2 26837230 WBGQYABREKQGQT-UHFFFAOYSA-N 370.383 4.900 0 1 FJAF CCC(=O)[C@H]1[C@@H]2CC[C@H](C[C@H]1c1ccc3c(CC)c(OC)ccc3c1)N2C 36270703 AEOXYMZMDLKZPQ-OTXOCUIESA-N 365.517 4.956 0 1 FJAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C 59940986 BEBKQEVGPRNSGI-QUCCMNQESA-N 356.460 4.568 0 1 FJAF O=Cc1c(-c2ccc(F)cc2)nc2sc(Cc3ccc(Cl)cc3)nn12 71294629 NNIPLTPYLTUZDK-UHFFFAOYSA-N 371.824 4.654 0 1 FJAF CC[C@@H](C)NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133243 BWBRHECNPNWIQN-MRXNPFEDSA-N 366.509 4.664 0 1 FJAF CCOC(=O)c1csc(-c2ccc(OC)c3oc4ccccc4c23)n1 115798263 KFAGBXGNTGGODA-UHFFFAOYSA-N 353.399 4.895 0 1 FJAF CCCSc1nc([C@@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352225 SIOCBXPROYQXLU-NSHDSACASA-N 354.878 4.915 0 1 FJAF O=C(O)CCc1ccc(OCc2ncc(-c3cccc(Cl)c3)o2)cc1 170602545 WDOGOEPPHXKTSW-UHFFFAOYSA-N 357.793 4.591 0 1 FJAF O=C(C[C@@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1ccccc1 202447750 IRYCNTCVXFYGJA-QHCPKHFHSA-N 358.393 4.672 0 1 FJAF Cc1nc(-c2ccc(F)cc2)sc1CNc1ccnc(NCC(C)C)n1 299863131 OLQYMBYOVPAYDR-UHFFFAOYSA-N 371.485 4.728 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)F)c(Cl)cc3[nH]1)C2 586888662 XALYLDFXDDGCGR-LPEHRKFASA-N 354.759 4.874 0 1 FJAF Clc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2n1 587041953 QMANAWGKUCMNMG-UHFFFAOYSA-N 363.895 4.669 0 1 FJAF COc1ccc2nc(-c3cc(Cl)c(OCC(C)C)c(OC)c3)[nH]c2c1 587046240 NTFCHVVQTQADET-UHFFFAOYSA-N 360.841 4.935 0 1 FJAF Nc1ccc(C(=O)CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587251580 JFCNWKQVIIMNKB-UHFFFAOYSA-N 357.413 4.753 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccccc3C2)[C@@H]1c1ccc(F)cc1 587353881 PHDUCYXYJVKUPU-VWNXMTODSA-N 374.411 4.818 0 1 FJAF CCOC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587354166 NIKZNQLBEUATGU-DHHCDUQHSA-N 370.420 4.608 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(C)cc(Br)cc1C)[C@@H](C2)C3=O 587411587 FDTFXZGAELAEPK-LIRRHRJNSA-N 373.246 4.563 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(CCCCF)c1F)[C@@H](C2)C3=O 587422000 BORDSGFHVFKTNB-HTAPYJJXSA-N 372.411 4.789 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426638 FISCAXSRPAUXFI-CVDCTZTESA-N 360.384 4.526 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(O)cc4)c1)[C@@H](C2)C3=O 587451212 QHFJUWRQBDOMID-WMZHIEFXSA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(CC)cccc31)CC2=O 587491837 QBJHVSWWEHFDML-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF O=C1C[C@H](c2cccc(Br)c2O)Oc2c1ccc1c2CCCC1 587498079 FHXZEBCUGZJWKK-QGZVFWFLSA-N 373.246 4.740 0 1 FJAF COc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1O 587527537 WJUFHWLAMXLFRV-HSZRJFAPSA-N 366.457 4.636 0 1 FJAF C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547514 LYZYKKGMBZEPMG-NQIIRXRSSA-N 366.800 4.923 0 1 FJAF CC[C@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615826 HPRDMYRLDLKNKE-GHTZIAJQSA-N 350.370 4.561 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587717967 LXHIDBZKOJYBIG-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587785095 LJGHMNZDEVETEB-CHWSQXEVSA-N 360.335 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(O)cc2)N1 587834991 UVJHKCUKLBEIAH-ZMZPIMSZSA-N 364.258 4.502 0 1 FJAF COC(=O)c1ccnc2[nH]c(/C=C/c3ccccc3Oc3ccccc3)nc12 587951038 VIHPOBDUUNMHTB-VAWYXSNFSA-N 371.396 4.707 0 1 FJAF Cc1nc2nc(Oc3ccccc3)cnc2cc1NC(=O)Nc1ccccc1 1772657747 FOWANKCBUCYIQP-UHFFFAOYSA-N 371.400 4.770 0 1 FJAF CCc1c(C)c(Cl)n(C)c1C(=O)NCc1ccccc1OCC(C)C 1857754249 JHTZHLHQRYYYJC-UHFFFAOYSA-N 362.901 4.514 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CO[C@@H](C2)O3)cc1 13609198 KOFCNZPCQOBXHD-CTNGQTDRSA-N 353.418 4.817 0 1 FJAF O=C(O)COc1ccc(-n2cnc(-c3ccccc3)c2-c2ccccc2)cc1 13727514 MBZNTKFXFWMZRA-UHFFFAOYSA-N 370.408 4.670 0 1 FJAF Cc1cc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl 25976719 UMOQGYBYRGESGZ-HSZRJFAPSA-N 372.277 4.543 0 1 FJAF O=P(O)(O)CCCNCCCCCCCCCCc1ccccc1 27104762 LVLCOLBUGCDLPB-UHFFFAOYSA-N 355.459 4.507 0 1 FJAF OCc1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1Cl 28564240 UHESUBCPHYMNSP-UHFFFAOYSA-N 361.832 4.951 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@H](F)[C@H]2NC(=O)Nc1cccc2[nH]ncc12 28965012 GNRVWTIJRDMIID-LPHOPBHVSA-N 366.440 4.617 0 1 FJAF COc1ccccc1NC(=O)CCCCCCC(=O)Nc1ccccc1 38788937 KSUPQBHTFDUVAZ-UHFFFAOYSA-N 354.450 4.613 0 1 FJAF CC(C)(CCOc1ccccc1)CCOc1cccc(NC(N)=S)c1 40430660 LLIMTKVWGMCQPS-UHFFFAOYSA-N 358.507 4.606 0 1 FJAF O=C(N[C@@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cl)cc1 72100827 YXHZFHGWHVPVSS-SFHVURJKSA-N 357.240 4.908 0 1 FJAF CCCCCCCCCCCCCC[C@@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 85637031 YBZIIVKQVVKTTD-SJORKVTESA-N 372.502 4.954 0 1 FJAF biogenic Cn1cc(-c2nc(-c3cn(C)c4ncccc34)cs2)c2cc(F)ccc21 96285043 RVXMCEYDYNUQQE-UHFFFAOYSA-N 362.433 4.995 0 1 FJAF COc1ccc([C@@H]2CC(c3ccc(C)cc3)=Cc3n[nH]c(O)c32)cc1OC 103182703 CNXYMVPTSUUEAO-KRWDZBQOSA-N 362.429 4.517 0 1 FJAF c1ccc(-n2ncc3c2[C@H]2CCc4cnn(-c5ccccc5)c4[C@@H]2CC3)cc1 169324833 JYPFQCIAJSLJJR-SZPZYZBQSA-N 366.468 4.818 0 1 FJAF CC(=O)O[C@@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 253667081 TWABYZAIMLYBQR-QWQGWLCTSA-N 363.501 4.600 0 1 FJAF CC1(C)COc2c(-c3nc4ccc(F)c(Br)c4[nH]3)cccc21 586912905 XSDDYNJQQYBPRC-UHFFFAOYSA-N 361.214 4.802 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 586982558 LXLHBFWJCYCFRG-UHFFFAOYSA-N 371.021 4.507 0 1 FJAF Cc1ccc(-c2nc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cs2)o1 587017275 UOYLOYYDZQPCDB-UHFFFAOYSA-N 351.218 4.957 0 1 FJAF CC(C)(C)OC(=O)NC[C@H]1CCCCc2c1nc1cccc3c1c2CC3 587212373 HBLAEOJMBBUAMH-OAHLLOKOSA-N 352.478 4.668 0 1 FJAF CCc1c(-c2cc3cccc(OC)c3oc2=O)nc2cccc3c2c1CC3 587216787 MJGBKLHMFHSMGC-UHFFFAOYSA-N 357.409 4.678 0 1 FJAF C[C@@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587332144 JEJXKUXWODGMTG-IRLDBZIGSA-N 366.363 4.945 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1Br)O2 587378240 SUZLHDLVVILCOB-AWEZNQCLSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)O2 587404871 SMSUSPSBLQFPCV-UZLBHIALSA-N 357.494 4.579 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)F)n1C)CC2=O 587463803 CJMYFTCDGXLPDH-GOSISDBHSA-N 367.367 4.583 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OC(F)(F)F)CC2=O 587464447 QMWFSRJNZZTMNA-KRWDZBQOSA-N 366.335 4.950 0 1 FJAF CCCc1c(O)ccc2c1OC1(CC2=O)C[C@@H]2CC[C@H](C1)N2C1CCCC1 587483759 DLBIDZBRAINJDU-NWMVZANLSA-N 369.505 4.618 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCO[C@@H](c3ccccc3)C1)CC2=O 587494103 XAVLVEKYHWXUNY-IFMALSPDSA-N 352.430 4.600 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514087 FLKDKNZXILTNGM-JOCHJYFZSA-N 358.441 4.672 0 1 FJAF Cc1ccc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557885 POVZWYQPDLQXSJ-UGKGYDQZSA-N 364.372 4.717 0 1 FJAF Cc1cc2c(cc1C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604289 SDVARCOOUMHMRL-ZJSXRUAMSA-N 372.420 4.812 0 1 FJAF O=C1c2ccccc2C(=O)N1c1c(-c2ccccc2)[nH]c2cccc(F)c12 587636755 HLSMVGCMLWFMFE-UHFFFAOYSA-N 356.356 4.775 0 1 FJAF COc1cncc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587784332 QBUKGDVCFUYFRQ-FMIVXFBMSA-N 357.413 4.716 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cs2)N1 587850127 XGXIESODNQTGGJ-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(C)c(CC)s1 587872201 KFEBCLDQTVPLLY-UHFFFAOYSA-N 358.438 4.709 0 1 FJAF COc1cccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587932035 UWMWEYKNNYXIEK-UHFFFAOYSA-N 352.381 4.969 0 1 FJAF Cc1cc(-c2nc(-c3ccc(F)c(Cl)c3)n3c2CCO[C@H](C)C3)ccn1 1772592991 VANCKIGJJKJYJE-CYBMUJFWSA-N 371.843 4.674 0 1 FJAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccnc4cnccc34)cc21 1857534883 YOLDPXSUMAHRFY-XMMPIXPASA-N 365.436 4.749 0 1 FJAF O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3F)cc2)c1 1857565964 WDVVAJREPJAMEA-UHFFFAOYSA-N 369.367 4.854 0 1 FJAF COCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccccc2OC)n1 1857765200 BAQKEQPJBLKWQE-UHFFFAOYSA-N 356.853 4.780 0 1 FJAF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]12CC(=O)O[C@@H](C1)[C@H](O)CC2=O 2356482669 RHVATUPILPBCCA-QTEQDKRBSA-N 374.521 4.821 0 1 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc3ccccc3c2)O1 95602013 LXZAAEFPJWNERV-APWZRJJASA-N 366.486 4.807 0 3 FJAF Cc1ccccc1NC(=O)OCCCN1C(=O)CCC12CCC(C)CC2 96019306 DRGHBRUGBMFNOG-UHFFFAOYSA-N 358.482 4.505 0 3 FJAF CCCc1c(OC2CCCC2)c2cc(OC(F)(F)F)ccc2[nH]c1=O 3648769 ZJOOAGPWYXDLQL-UHFFFAOYSA-N 355.356 4.701 0 1 FJAF COc1cc(Nc2nnc(-c3ccccc3)s2)ccc1-c1cnco1 13860200 FRTOGMHPMXMYQI-UHFFFAOYSA-N 350.403 4.612 0 1 FJAF C#CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947065 POXPTICCDZYJNK-JFSTXAPLSA-N 368.542 4.744 0 1 FJAF CCCCC[C@@H](O)CCC[C@@H](CCCc1ccc(C(=O)O)cc1)[C@@H](C)O 27090654 HQWDQCLZOGUKDS-YFVAEKQCSA-N 364.526 4.816 0 1 FJAF CC(=O)Nc1ccc(-c2cc(C)nn2-c2ccc(Br)cc2)cc1 29409220 DFGMJFWWHKQIQC-UHFFFAOYSA-N 370.250 4.569 0 1 FJAF CCCCCN(C)C(=O)NCCCC/C=C\CCCCCCC(=O)O 43121359 SERXGLBOJWXYKG-VURMDHGXSA-N 354.535 4.970 0 1 FJAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1 43123631 UGDCQBBWTYXMIS-UHFFFAOYSA-N 367.468 4.997 0 1 FJAF C(=C/c1ccccc1)\CCN(Cc1cccc2ccccc12)n1cnnc1 45496195 WJQWJLIPIBRMSI-IZZDOVSWSA-N 354.457 4.673 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1ncccc1SCc1ccncc1 64559481 UVKXKGWBQZSUEL-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF CCN(CC1CCN(Cc2ccccc2)CC1)C(=O)c1ccc(Cl)cc1 103266108 JGKGNABDPKYDKO-UHFFFAOYSA-N 370.924 4.714 0 1 FJAF Clc1ccc(CN2CC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1Cl 114336864 YEQSMZIHQJMAEK-HNNXBMFYSA-N 361.276 4.556 0 1 FJAF CC1=CC[C@H](C[C@@H](C)Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 139519998 KCXMCDKKIBWBCH-HXPPYDANSA-N 357.475 4.914 0 1 FJAF c1ccc2c(c1)C[C@H](N1CCCC1)[C@H]2Oc1ccc(-c2nccs2)cc1 147759572 VZPLWXCOSBOCJY-SFTDATJTSA-N 362.498 4.951 0 1 FJAF Cc1c(F)cccc1CNc1ccc(-n2nc(C(F)(F)F)cc2C)cn1 149799881 YTWIJOLSIHPTLT-UHFFFAOYSA-N 364.346 4.654 0 1 FJAF Clc1ccc(CNc2n[nH]c(Nc3cc(Cl)cc(Cl)c3)n2)nc1 220902501 TWUYFPXBAMSZDA-UHFFFAOYSA-N 369.643 4.516 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(F)cc(Br)c3[nH]2)cc1 586894147 YEXXAJOSHKUBDN-MGPLVRAMSA-N 363.230 4.610 0 1 FJAF Cc1nc(Br)sc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587010842 HSUYXCZELNVLJE-UHFFFAOYSA-N 362.174 4.776 0 1 FJAF Sc1nnc(SCc2nc3ccc(Oc4ccccc4)cc3[nH]2)s1 587026549 ZCGKCVOBSLMJGB-UHFFFAOYSA-N 372.500 4.788 0 1 FJAF Fc1c(Br)ccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037030 QLVWRIILFLDNQB-ZDUSSCGKSA-N 369.284 4.905 0 1 FJAF O=C(O)c1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064704 NIMQQSADFXVSAY-UHFFFAOYSA-N 368.776 4.754 0 1 FJAF Cc1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587085177 ZLPWZJIGXHRELC-UHFFFAOYSA-N 362.658 4.762 0 1 FJAF Nc1c(F)cc(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1F 587134580 JXVXICASUWWWOE-UHFFFAOYSA-N 363.673 4.642 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(Br)cc1C)O2 587378585 VXWFOPPKHDILDE-SFHVURJKSA-N 360.251 4.529 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)c3ccccc31)O2 587402911 BBAWAAPJRLTOTE-NTKDMRAZSA-N 355.437 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1ccccc1)CC2=O 587470619 URMGKGRHYNSUCP-LKVFMFGUSA-N 365.473 4.671 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](C)Oc2ccc(F)cc21 587471727 MTGMGNOXQVISQK-LAJNKCICSA-N 356.393 4.516 0 1 FJAF Cc1nn(C(C)(C)C)c(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513506 AVAGYVVWUHDPCT-LJQANCHMSA-N 352.478 4.840 0 1 FJAF CC(C)Oc1ncccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587518120 BBULSPWQYDDPRE-JOCHJYFZSA-N 351.446 4.628 0 1 FJAF CC(C)CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587530693 DIMUWAYDZUYZCU-LJQANCHMSA-N 368.502 4.810 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2)N1 587734816 WDAQWPJBGJJLRK-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF Brc1cc2[nH]c(CC3CC3)nc2cc1OCc1ccccc1 587958696 GGZUWNRFEHFITC-UHFFFAOYSA-N 357.251 4.857 0 1 FJAF CCOC(=O)Cc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960850 FUTGSRNQWSQHGB-UHFFFAOYSA-N 370.452 4.926 0 1 FJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)cc(Cl)c4[nH]1)(C3)C2 587968945 JEABJGZJUAZILE-JIIRDLKHSA-N 368.786 4.882 0 1 FJAF CCCCCC[C@@]1(c2ncco2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962633183 JZQTYLCVEDUSBL-ZHRRBRCNSA-N 372.509 4.782 0 1 FJAF COc1ccc2c(c1)CC[C@]1(CCCCN1C[C@H](C)c1ccccc1)C2=O 1772572118 MLKPPNBOPFCBLM-MHECFPHRSA-N 363.501 4.853 0 1 FJAF CCOC(=O)Nc1ccc(NCc2ccc(-c3cccs3)cc2)nc1N 1772641143 YAXGLAJACTWKEQ-UHFFFAOYSA-N 368.462 4.573 0 1 FJAF Fc1ccc(N2CCN(CCCOc3ccc4ccccc4c3)CC2)cc1 1857769379 WLKLAEBHQYKZEU-UHFFFAOYSA-N 364.464 4.570 0 1 FJAF Cc1ccc(CN2CCCN(C(=O)c3cccc4ccccc34)CC2)c(C)c1 1911581840 IZPLZRUPHZETPT-UHFFFAOYSA-N 372.512 4.805 0 1 FJAF c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1 3814003 PHORSJQGLQBIOY-UHFFFAOYSA-N 372.516 4.858 0 1 FJAF CC(C)CC(C/C=C1\C[C@](CO)(COCC(C)(C)C)OC1=O)CC(C)C 13672583 OEXHUZRSQNHBKQ-PHKVRQNRSA-N 368.558 4.752 0 1 FJAF O=C(O)[C@H]1CCC[C@@H]1c1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 13826805 CSTPMVHHUHISBQ-HOTGVXAUSA-N 372.827 4.845 0 1 FJAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cc(O)ccc23)C1(C)C 14975774 YNHUJCRFFWWTHM-UHFFFAOYSA-N 355.478 4.638 0 1 FJAF CO[C@@]1(c2cc(O)ccc2O)C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O1 15217572 FCRKCTMVNYZRSA-NAVGAYGYSA-N 372.461 4.853 0 1 FJAF Fc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27106543 SOGQXJZSYCVAGC-YADHBBJMSA-N 358.392 4.724 0 1 FJAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2)cc1O 29398974 VROLFUCUPCCNAM-KRWDZBQOSA-N 367.514 4.902 0 1 FJAF N[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40874888 RYSREWLCUBCLSN-JOACEPGESA-N 360.545 4.920 0 1 FJAF Cc1cccc(C(=O)Nc2cccc(Nc3nc(-c4cccnc4)c[nH]3)c2)c1 40898912 RXNJNCJKYXUTGK-UHFFFAOYSA-N 369.428 4.776 0 1 FJAF CCCC(=O)c1ccc2c(c1)sc(=O)n2CCCCN1CCCCCC1 96916511 QBCVHOCIMPVDRA-UHFFFAOYSA-N 374.550 4.702 0 1 FJAF O=C(O)c1ccc2nc(-c3ccc(F)cc3)c(N3CCCCCC3)nc2c1 116231577 QYKVCCCMPASUMG-UHFFFAOYSA-N 365.408 4.515 0 1 FJAF COC(=O)/C=C(/C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@H]1C 238730638 LNECUDALXOQOBS-IYKJQODBSA-N 362.510 4.838 0 1 FJAF c1ccc(CNCC[C@@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 473167246 GXWZMLKZZVQKSW-XMMPIXPASA-N 373.496 4.526 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3cc(Cl)nc4ccccc34)nc2c1F 587085104 KFFUXZHJLZJFSO-UHFFFAOYSA-N 351.690 4.988 0 1 FJAF CCc1c([C@@H](CC)C(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097317 LEAQKIQNEVGTIN-OAHLLOKOSA-N 373.452 4.984 0 1 FJAF O=C(c1nc2c(cnc3ccccc32)[nH]1)c1c(Cl)ccc(F)c1Cl 587132910 KXERBRSBZHDJEG-UHFFFAOYSA-N 360.175 4.788 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587154956 HJEADDDNIRJSLG-MRVPVSSYSA-N 374.725 4.646 0 1 FJAF CC(C)C(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359014 ZGIZCQWCIUTZJO-RBBKRZOGSA-N 370.420 4.654 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ncccc1C)CC2=O 587469830 GOGBPMLEFQQULX-HXUWFJFHSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(C)c(C)c31)CC2=O 587485854 KHGBTXXEHXILFS-QFIPXVFZSA-N 352.430 4.605 0 1 FJAF Cc1ccn2c(C)c([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587514085 GJYWGTBHDTWEGU-HSZRJFAPSA-N 360.457 4.711 0 1 FJAF O=C1C[C@H](CCCOCc2ccccc2)Oc2c1ccc1c2CCCC1 587525161 SMLPINUXRCQSTK-IBGZPJMESA-N 350.458 4.896 0 1 FJAF O=C1C[C@H](c2cc(-c3cccs3)on2)Oc2c1ccc1c2CCCC1 587533048 TYHZJSFYUSUFFS-QGZVFWFLSA-N 351.427 4.988 0 1 FJAF C[C@@]1(CCCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544618 FIMBKTJXIBBBAQ-YJBOKZPZSA-N 366.335 4.845 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2[nH]1 587588537 LBRKXYQVODPIEW-DENIHFKCSA-N 357.365 4.576 0 1 FJAF Cc1ccc(C)c(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603052 MOFORTQROZEUDO-SFTDATJTSA-N 360.409 4.582 0 1 FJAF C[C@]1(c2ccc(S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610671 DMPWRFXZAQSAGX-GHTZIAJQSA-N 364.422 4.558 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC 587925720 HJCVXKNQAZRXQY-CYBMUJFWSA-N 361.445 4.783 0 1 FJAF FC(F)(F)c1nc(Cl)[nH]c2nc(C=C3C4CC5CC(C4)CC3C5)nc1-2 587965460 SZVSGVLIKALGBL-UHFFFAOYSA-N 368.790 4.816 0 1 FJAF C[C@H](C[C@@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)CC(C)(C)C 962671759 SRFLTNQAAHPGLC-NFHUAXAMSA-N 368.521 4.837 0 1 FJAF Fc1cccc2c1[C@]1(CCCC[C@H]1N1CCCCCC1)N1CCC[C@H]1C2 963113061 YZKNTCIOOVYOOJ-XKCSPQBFSA-N 356.529 4.860 0 1 FJAF CN1CCc2c(Br)cccc2[C@H]1c1cn(C)c2ccccc12 963279316 GVZVRGDMLSCDJU-IBGZPJMESA-N 355.279 4.518 0 1 FJAF COc1cc(OC)cc(-c2cc3cc4c(cc3o2)CC(C)(C)[C@@H](O)C4)c1 2356306013 AAAYIAAWJPLFJT-NRFANRHFSA-N 352.430 4.603 0 1 FJAF Cc1ccc(O)cc1C(=O)N1CCC(C(=O)c2ccc(C(C)C)cc2)CC1 2382232056 JNGYBTZFWSODPE-UHFFFAOYSA-N 365.473 4.559 0 1 FJAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 72138250 IGBHDJDWQNUBBT-PBHICJAKSA-N 350.842 4.924 0 3 FJAF CN(CCc1ccc2c(c1)OCO2)C[C@@H]1CCCc2c1ccc1ccoc21 13761410 LBZFKDAPKHOUGS-SFHVURJKSA-N 363.457 4.756 0 1 FJAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1[C@@H](C)CC2 28707891 LJDYPAZJOQSESE-NSHDSACASA-N 362.520 4.594 0 1 FJAF O=C(CCc1cc(Cl)ccc1NC(=O)c1ccccn1)c1ccccc1 28948948 HBFQPCFCZCYVGM-UHFFFAOYSA-N 364.832 4.803 0 1 FJAF Cc1ccc2c(C(=O)O)c(O)c(-c3ccc(C(F)(F)F)cc3)nc2c1C 35086966 CKXCJWAFRVEVDH-UHFFFAOYSA-N 361.319 4.941 0 1 FJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)Oc3cccc(C(=O)O)c3C(=O)[C@@H]12 49803769 BRJRCUMHFKMNEZ-XSLZUNGDSA-N 356.462 4.961 0 1 FJAF COc1cccc(NC(=O)C[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107979 IVMPGORTJRSJER-JOCHJYFZSA-N 353.462 4.551 0 1 FJAF CCOc1ccc(-c2nc(CNC3C4CC5CC(C4)CC3C5)co2)cc1 72140926 JDMNRUMIGOUFGI-UHFFFAOYSA-N 352.478 4.655 0 1 FJAF CN1C(=O)[C@H](CN2CCCCC2)C[C@H]1c1ccc(C2CCCCC2)cc1 72175010 SZBHOSYEPSBGFK-VXKWHMMOSA-N 354.538 4.740 0 1 FJAF Cc1sc2ccccc2c1CNCCCNC(=O)Nc1ccsc1 98208152 ZZQDVOMENGYSEJ-UHFFFAOYSA-N 359.520 4.573 0 1 FJAF in-vitro CC[C@H](Cc1cc(C)ccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251346 PUCKHCPITYMJIM-HXUWFJFHSA-N 359.535 4.528 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169369972 QOBHVCSONWIIQM-UYOVWSHUSA-N 371.565 4.857 0 1 FJAF CS[C@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@H]12 195335111 OGPGSYNCKSLJOF-IRWJRLHMSA-N 368.951 4.949 0 1 FJAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(/CCC=C(C)C)COC(C)=O 238751141 WSBFBHTWXLODOA-PCCBWSBYSA-N 372.461 4.571 0 1 FJAF Clc1cc2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)cc2cn1 587084858 HTJVNZWZGYTMFH-UHFFFAOYSA-N 351.793 4.593 0 1 FJAF CCn1cc(-c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)cn1 587098379 UJOZXPZKFBZKTI-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF COC(=O)c1ccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587113553 NETTTXVBWLJCLK-LLVKDONJSA-N 362.351 4.715 0 1 FJAF c1ccc(CN(Cc2nc3cc4c(cc3[nH]2)OCCO4)c2ccccc2)cc1 587195676 GZXGXDCWKUVYCY-UHFFFAOYSA-N 371.440 4.541 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)nc(Cl)c2[nH]1 587229003 LLYMMLLVAFESCX-UHFFFAOYSA-N 365.264 4.626 0 1 FJAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)CC 587402518 YMWZKSDVCCYTDY-VBKZILBWSA-N 369.461 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1Cc1ccccc1)CC2=O 587470491 KFQDBVJJMWCWIF-QFIPXVFZSA-N 361.441 4.901 0 1 FJAF Cc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587504367 RSEWHPJXKRLGKO-GOSISDBHSA-N 372.262 4.738 0 1 FJAF CC(=O)Oc1c(C)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C 587521158 CZTUVVPROOATQT-OAQYLSRUSA-N 364.441 4.814 0 1 FJAF CCOC(=O)c1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525099 PTJBWUPOLQYRST-QHCPKHFHSA-N 364.441 4.623 0 1 FJAF Nc1ccc2[nH]c3c(c2c1)CCC[C@@]31CC(=O)c2ccc3c(c2O1)CCCC3 587526974 SLHVZPPJQJCRKD-XMMPIXPASA-N 372.468 4.826 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725536 QUZKEUGYPVMSAX-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(F)c2)N1 587730060 IGLGGEGHISIGHE-XYZCENFISA-N 370.212 4.664 0 1 FJAF CC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587730653 JVTHWTOLMCTWTE-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C1CCCC2CCC1 587816708 BUXLWUHOXRXAHR-ZLNHHVGESA-N 352.291 4.918 0 1 FJAF COc1ccc(C2(c3nc4cc(Cl)cnc4[nH]3)CC3(CCC3)C2)cc1 587937155 NNPCQRFKTRECBZ-UHFFFAOYSA-N 353.853 4.870 0 1 FJAF Fc1cccc2c1CC[C@@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962722087 YIIVHAQPTIHCJR-KSFYIVLOSA-N 371.496 4.713 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]21CCCc2cc(SC)ccc21 963269025 DIDUYRTUFHMVEJ-HXUWFJFHSA-N 359.922 4.796 0 1 FJAF CN(CCCCN1C(=O)CSc2ccccc21)Cc1ccc(Cl)cc1 1772573035 NKSQALVSSHMZDH-UHFFFAOYSA-N 374.937 4.691 0 1 FJAF COc1ccc(CSc2nnc(CC(C)C)n2Cc2ccccc2)cc1 1857578111 WYMPXNJKMFASMX-UHFFFAOYSA-N 367.518 4.826 0 1 FJAF CC[C@@H](N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12)C1CC1 1857767771 NXQHGTIGUQOJSX-QGZVFWFLSA-N 370.859 4.610 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@](C)(CC[C@@H](C)[C@@]2(C)CCc2ccoc2)[C@@H](C)C1=O 2356481480 RAWJLQOZIWQUKM-HGJKZPEPSA-N 360.494 4.812 0 1 FJAF O=C(Nc1ccccc1C(=O)O)c1ccc(F)c(Oc2ccccc2)c1 13611160 OPLSSBDEHIIFAG-UHFFFAOYSA-N 351.333 4.569 0 1 FJAF in-vivo CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc21 26276846 YAUXUMSQGNPGQC-UHFFFAOYSA-N 374.444 4.933 0 1 FJAF C[C@H](SC1c2ccccc2Sc2ccccc21)C(=O)N1CCCC1 28706908 AHFZCPAGPSPMPA-AWEZNQCLSA-N 355.528 4.985 0 1 FJAF Cc1cc(Cl)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)n1 33504913 PTZNLQKMDLUTSE-ZDUSSCGKSA-N 374.680 4.524 0 1 FJAF O=c1cc(/C=C/c2ccccc2)oc2cc(I)ccc12 103199529 BVIKQEZEHUSXMX-SOFGYWHQSA-N 374.177 4.568 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccc(C)o2)C2=C(O)CCCC2=N1 104083859 QUPDBGPFWSJQBK-HXUWFJFHSA-N 355.434 4.882 0 1 FJAF Cc1cc(O)c2c(c1)C[C@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 169335721 VZUZGWPYCWZJQF-MJZIJTBJSA-N 366.501 4.505 0 1 FJAF c1ccc([C@H]2C[C@]3(N4CCCCC4)CNC[C@@H]2[C@H](c2ccccc2)C3)cc1 299853864 RDCZXFZEGOCFKG-UCDDGIFISA-N 360.545 4.792 0 1 FJAF O=Cc1ccc(OCc2occc2-c2nc3cnc4ccccc4c3[nH]2)cc1 586901155 PSXVPCIENWNMDU-UHFFFAOYSA-N 369.380 4.763 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)nc3)nc3ccc(O)c1c23 586985362 CJZOJSAOVNHXQJ-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF Sc1nc(S)c2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587048827 YXGOEPHXEMPVPQ-NTSWFWBYSA-N 369.302 4.508 0 1 FJAF Cc1cc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2cc1Cl 587120380 GTBSCAYMOMWRBZ-UHFFFAOYSA-N 368.668 4.952 0 1 FJAF Fc1cc(Cc2nc3cc4c(cc3[nH]2)OCCO4)ccc1-c1ccccc1 587145340 LENOZXFBIDETSG-UHFFFAOYSA-N 360.388 4.731 0 1 FJAF c1ccc(CN2C[C@H]3c4nc5cccc6c5c(c4CCC[C@H]3C2)CC6)cc1 587212672 PYNOOMJMQIJDIW-SIKLNZKXSA-N 354.497 4.885 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587235170 FYRCTGXZDSWLGM-IAGOWNOFSA-N 369.509 4.993 0 1 FJAF COc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C 587398700 HALXPTRPVVYZHW-JOCHJYFZSA-N 353.462 4.764 0 1 FJAF CCOc1ccc(C(C)C)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444093 XZMLJWRJFQPMKJ-VGOFRKELSA-N 352.430 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(F)c(F)c1)CC2=O 587466281 KNQZAXVDDAJHOU-NRFANRHFSA-N 360.400 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(C)n1)CC2=O 587469325 CRFYFCKRBWOHNK-FQEVSTJZSA-N 362.429 4.545 0 1 FJAF CN1CCC[C@@H]1[C@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517234 JNLZQDWXXMYRSQ-TXTKFYIRSA-N 353.506 4.554 0 1 FJAF CCOC(=O)c1ccsc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533176 UWGDTTUNMJWARW-KRWDZBQOSA-N 356.443 4.510 0 1 FJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576176 HZKPNDIPOAEMTF-REWPJTCUSA-N 371.392 4.587 0 1 FJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587785790 ORAOCXFYABCLLO-KGLIPLIRSA-N 360.335 4.525 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818067 PHHZBMWFIHCZNC-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)cc1OC 587929581 XMVMSTBHRQULRM-UHFFFAOYSA-N 359.429 4.926 0 1 FJAF COc1ccc(/C=C/Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c1 587931187 ZLPYNLCPJJKLOO-ONEGZZNKSA-N 364.779 4.768 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)c1 587931547 AKVZLUXLDVKOSW-UHFFFAOYSA-N 365.820 4.968 0 1 FJAF c1ccc(Cn2c(=NCc3cc4ccccc4o3)[nH]c3ccccc32)cc1 1857534987 VDWCNKHGLMLHAO-UHFFFAOYSA-N 353.425 4.865 0 1 FJAF CCN(CC)C(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1 1857587683 SETNEQDYFGVAIN-UHFFFAOYSA-N 364.445 4.711 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(OC)c3c(c1)OCO3)O2 2356508306 UIWUAELYQAENKN-BLVKFPJESA-N 354.402 4.703 0 1 FJAF CC(C)N1CCC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1 2382249982 HKSXMVBEMPZHJC-AWEZNQCLSA-N 369.900 4.563 0 1 FJAF Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)[C@@H](C)c1ccncn1 59866632 ANKNNVSMQYNMCS-HNNXBMFYSA-N 358.445 4.786 0 3 FJAF COc1cccc(-c2c[nH]c([C@@H](O)c3ccc(-c4ccccc4)cc3)n2)c1 61928646 JAFNJFXQULGTEZ-QFIPXVFZSA-N 356.425 4.834 0 3 FJAF c1ccc(CNc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1 6805392 QQLCYZKWRFZDHX-UHFFFAOYSA-N 351.413 4.557 0 1 FJAF CCCCCCO[C@H](C)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398543 DTSBTUSKJKTLJH-PTIKXVDVSA-N 352.515 4.967 0 1 FJAF COc1cc(OC)c2ccn(CCC[C@@H]3CCC[C@]4(CCCCO4)O3)c2c1 40953355 OKTDCOOPWZVWAN-JTSKRJEESA-N 373.493 4.905 0 1 FJAF CN1CC[C@@]2(Cc3ccccc3)c3ccccc3N(Cc3ccccc3)[C@@H]12 58520161 UYRHGHRUYWENSS-JWQCQUIFSA-N 354.497 4.849 0 1 FJAF c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5cccs5)c4c3)nn2)cc1 146148457 ZWUXUMQBVYFEMZ-UHFFFAOYSA-N 357.442 4.598 0 1 FJAF Cc1cnc(-c2ccccc2C(C)C)nc1NCC1CN(c2cccnc2)C1 169304613 JGXLDSUKBYSMGK-UHFFFAOYSA-N 373.504 4.519 0 1 FJAF CCCC[C@H](C)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316682 HOCKHWOFIRTBOW-DUSCRHDRSA-N 352.515 4.750 0 1 FJAF CCC[C@@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 169329727 PBZZRPNYRANTNS-BUZMGHMJSA-N 371.565 4.638 0 1 FJAF Cc1ccc(S(=O)(=O)Nc2ccc(-c3ccco3)c3cccnc23)cc1 473172869 ZOXDMNSVOSOAHN-UHFFFAOYSA-N 364.426 4.604 0 1 FJAF CCc1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1Br 586976931 JAXNOUIHFKCFOY-UHFFFAOYSA-N 373.250 4.716 0 1 FJAF Brc1ccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc2n1 587022979 BBWCSIZBHAVRDA-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2N1 587122324 BSPOANLSLINZET-PWCHPLFNSA-N 373.741 4.526 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(N)cc1F 587136950 ZONKCAVGOKJAQD-UHFFFAOYSA-N 356.445 4.821 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)cn1 587247821 URJNYZQNRHDBHS-UHFFFAOYSA-N 364.783 4.541 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)ccc3[nH]1)O2 587371696 MJTSMFCXCOYTHM-QGZVFWFLSA-N 371.234 4.528 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(C)c1)CC2=O 587466566 PAHOLGRNBGHMHB-GOSISDBHSA-N 362.372 4.961 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCc1cnc3ccccc3c1)CC2=O 587487101 DGRPVJAGTWXEJX-KRWDZBQOSA-N 361.441 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1n[nH]c3ccccc13)CC2=O 587488240 YXJBGHNIMNQFPE-QFIPXVFZSA-N 364.445 4.578 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)c(SC)c1)CC2=O 587489514 CRQHFHWWJMEISZ-GOSISDBHSA-N 358.459 4.782 0 1 FJAF Cn1nc(C(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587506448 NULIUVHGBHTLIS-CYBMUJFWSA-N 366.795 4.596 0 1 FJAF COc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528091 ZLOZKSHVPCRWDP-QHCPKHFHSA-N 366.457 4.549 0 1 FJAF Cc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c12 587589035 MTDZXOZVOMJNDF-REWPJTCUSA-N 371.392 4.885 0 1 FJAF Cc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c12 587591965 XOZHNRVEASSYDX-AUSIDOKSSA-N 371.392 4.885 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Cl)c2)N1 587696551 PRPBXSCVQBWCFN-VPTHRUTESA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3[nH]2)N1 587806133 VAAJAIRIBUOGSJ-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)c2)N1 587850295 YLFNLHWQQMDLMB-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCc1ccncc1 587860339 RFJHOPMVNCRZCK-UHFFFAOYSA-N 362.260 4.893 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 587950197 ADELSXDAQKLIJB-KPPDAEKUSA-N 358.816 4.572 0 1 FJAF Brc1cnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2c1 587961071 IERSZYVAHZVOAS-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2C1Cc2ccccc2C1 962698954 DFYBIQKJSYMWDS-PGRDOPGGSA-N 353.506 4.645 0 1 FJAF Cc1cccc(Nc2nc(-c3ccc(-c4ccc[n+]([O-])c4)cc3)cs2)n1 1772626617 KRQMRFFSWZRLFJ-UHFFFAOYSA-N 360.442 4.558 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@@H]1Cc1cccc(O)c1 1857631507 CXKQYZABCCJLND-IBGZPJMESA-N 350.458 4.949 0 1 FJAF Cc1cc(O)c2c(c1C=O)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@H]1C2 2356419168 JDDYDTDIIFQNAG-DPZOUVDISA-N 370.489 4.628 0 1 FJAF CCOc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1 2382245336 XJJSLZLSTGNHBS-UHFFFAOYSA-N 353.418 4.569 0 1 FJAF COc1ccc2[nH]cc(CCNc3ccnc(-c4ccccc4C)n3)c2c1 4239335 MCAPNOGOMXHGJB-UHFFFAOYSA-N 358.445 4.597 0 1 FJAF COc1ccccc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12 4268002 JZOIHGXIINGYQR-UHFFFAOYSA-N 360.417 4.522 0 1 FJAF CCCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1 13782413 PTGBBGYJNDIZFK-UHFFFAOYSA-N 370.474 4.712 0 1 FJAF O=c1cc(N2CCOCC2)oc2cc(-c3csc4ccccc34)ccc12 28564289 IJLIFWFZASIEIN-UHFFFAOYSA-N 363.438 4.511 0 1 FJAF COc1cc(N[C@H]2CCC[C@H](NCc3ccsc3)C2)nc2ccccc12 28950971 ASOYUBRWYMDSNA-IRXDYDNUSA-N 367.518 4.818 0 1 FJAF FC(F)(F)c1ccc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc1 40564415 DPFMUCRBOCKXJH-UHFFFAOYSA-N 355.323 4.578 0 1 FJAF CC[C@@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1C 45323742 MFXDDNWENRPAMQ-SJORKVTESA-N 371.550 4.557 0 1 FJAF c1ccc2[nH]c(Nc3ccc(CNc4ncnc5ccsc45)cc3)nc2c1 49013723 YJFJMXKJYADSPR-UHFFFAOYSA-N 372.457 4.923 0 1 FJAF CCc1cnn(-c2ccc(C(C)C)cc2)c(=O)c1Oc1ccc(OC)cc1 66139522 VGEPQESETBVMPA-UHFFFAOYSA-N 364.445 4.719 0 1 FJAF CC1=CC[C@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66167018 FAKXMTLUDHHXRM-KSFYIVLOSA-N 351.421 4.713 0 1 FJAF CCOC(=O)c1c(/C=C/CCCCO[C@H]2CCCCO2)cccc1OC 71281214 VKIKPGQXASGXBU-SSGOSMAHSA-N 362.466 4.599 0 1 FJAF O=C(O)C[C@@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)c(F)c1 72118851 AUTJBPRXCWOAFE-SNVBAGLBSA-N 367.207 4.810 0 1 FJAF Oc1c2c(c(O)n1-c1ccc(Br)c3ccccc13)[C@H]1CC[C@@H]2O1 169727205 NVZRQPOODWWJLH-OKILXGFUSA-N 372.218 4.710 0 1 FJAF Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@H]1c1ccc(C(N)=O)cc1 223221877 HVCYKNQNKTXZHC-NRFANRHFSA-N 361.489 4.611 0 1 FJAF Oc1nc(CCc2ccccc2)cc(NC2CCCC2)c1Br 299829572 VZEZHMKTLDSRMP-UHFFFAOYSA-N 361.283 4.689 0 1 FJAF O[C@H]1C[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc21 586903119 NKJGKHXYNBXKAF-UGKGYDQZSA-N 356.425 4.711 0 1 FJAF N[C@H](Cc1cccc(Br)c1)c1nc2cc3ccccc3cc2[nH]1 586983409 CGMOIABQIUHTHJ-MRXNPFEDSA-N 366.262 4.721 0 1 FJAF Cc1cccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c12 587019604 QSURKSCQGYCEIC-UHFFFAOYSA-N 363.446 4.563 0 1 FJAF O[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccccc1Cl 587059297 NWYMVZWIITVFLB-ZDUSSCGKSA-N 361.150 4.970 0 1 FJAF Clc1nc(-c2nc3c(Br)ccnc3[nH]2)cc2ccccc12 587085837 KHMBXHANQQIOKT-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2c(Cl)ccnc2[nH]1 587162794 JKCCNJGRWJHYFP-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587168407 HZBSDLGVDGDDMH-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]([C@@H]1CCOC1)CC3 587208952 HHQXAIGZUCVQPW-HUUCEWRRSA-N 355.437 4.588 0 1 FJAF CC(C)(C)OC(=O)NCc1ccc(-c2nc3ccccc3[nH]2)c(C2CC2)n1 587232641 XLUZMKBLMKDEEV-UHFFFAOYSA-N 364.449 4.527 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587242019 NNEOORUSOWWDOZ-UHFFFAOYSA-N 353.422 4.899 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(N(C)C)cc1)O2 587386418 IZUJLSLCKZQTQQ-XMMPIXPASA-N 372.468 4.552 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(OC)c(OC)cc3[nH]2)cc1 587564231 GTKBGWKXSBAQEB-UHFFFAOYSA-N 354.450 4.847 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ccoc23)N1 587831140 GVAPVJCHQWGWAX-BTDLBPIBSA-N 360.226 4.958 0 1 FJAF c1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653899362 HIEVTTBIZUWSKF-NRFANRHFSA-N 356.425 4.814 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2C1Cc2ccccc2C1 962698955 DFYBIQKJSYMWDS-XMSQKQJNSA-N 353.506 4.645 0 1 FJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1ccc2ncccc2c1 962723250 YVAUYPRPYXXJHV-HTAPYJJXSA-N 364.489 4.827 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@H](C)CN(Cc3ccccc3)C2)N1 962950591 NWFSAOHSEBQANJ-NNPDTBDGSA-N 373.544 4.830 0 1 FJAF CCCCc1ccc(N2C(=O)c3cc4cccc(OC)c4cc3C2=O)cc1 1857583118 GPMJVKPQJYKMJT-UHFFFAOYSA-N 359.425 4.992 0 1 FJAF Cc1ccccc1C(=O)c1sc(=N)[nH]c1-c1cccc(C(F)(F)F)c1 1857641640 UOWASNWWXMJYHG-UHFFFAOYSA-N 362.376 4.781 0 1 FJAF CCC(CC)C(=O)N1CC(=O)Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 2724514 HWLXHYDQCNKICH-FQEVSTJZSA-N 370.880 4.646 0 1 FJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049861 GMBSMVWRQRTHDK-GMAHTHKFSA-N 372.468 4.848 0 1 FJAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)ccc1O 13555563 PAJDFKWSVLOENY-UHFFFAOYSA-N 350.123 4.970 0 1 FJAF CCCCN(Cc1ccccc1)C(=O)Nc1cc(OC)c(OC)c(OC)c1 26393745 LMQIWNGUHNGACA-UHFFFAOYSA-N 372.465 4.547 0 1 FJAF C[C@@H]1CCC[C@@H](C)N1CCCC(C(N)=O)(c1ccccc1)c1ccccc1 29555034 JNOQHEQRKNYCJI-WOJBJXKFSA-N 364.533 4.501 0 1 FJAF c1cc(CN2CCC3(CC2)OCc2ccccc23)cc(-c2ccncc2)c1 40380410 JAZATSPDURFLGC-UHFFFAOYSA-N 356.469 4.770 0 1 FJAF O=C1c2cc(O)ccc2-c2c(-c3ccc(O)cc3)nc3ccc(F)cc3c21 45340181 YFGQFJBMQFLWQA-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF O=C(NCCSCc1cccc(F)c1)c1c(Cl)cccc1Cl 49803230 BZDHOZWPMDDXTI-UHFFFAOYSA-N 358.265 4.796 0 1 FJAF Fc1ccc(SCCCN2CCN(c3ccc(Cl)cc3)CC2)cc1 73239724 QEVFANOTWOZMFN-UHFFFAOYSA-N 364.917 4.784 0 1 FJAF CCCCCCOc1ccc(-c2nc(C(=O)NCc3ccco3)co2)cc1 82074712 CVHSMDHTKXSPQI-UHFFFAOYSA-N 368.433 4.824 0 1 FJAF COc1ccc(-c2ccnc(NC3CCCC3)n2)cc1OC1CCCC1 96937572 QOANIDPWKBLBMQ-UHFFFAOYSA-N 353.466 4.828 0 1 FJAF COc1cc(-c2ccc(OCc3ccccc3)c(F)c2)cc(C=O)c1O 169699590 OKZPSPQQUHWJBL-UHFFFAOYSA-N 352.361 4.598 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3ccc4[nH]ncc4c3)nc(C)n2)c1 205344399 UFQYTOPHUNQLBJ-ZDUSSCGKSA-N 359.433 4.510 0 1 FJAF CC(C)(C)OC(=O)N1[C@@H](COc2ccc3ccccc3c2)COC1(C)C 219730839 QCOYLCQQNKXCKL-KRWDZBQOSA-N 357.450 4.591 0 1 FJAF biogenic Cc1cc(Br)cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c12 586898954 TXOWAIKEQSRJJP-UHFFFAOYSA-N 357.251 4.885 0 1 FJAF COc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1C 587020335 NTJOUZITDPBGES-UHFFFAOYSA-N 365.458 4.891 0 1 FJAF N=c1cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc2[nH]1 587254466 UUJMUZCBAXAOHZ-UHFFFAOYSA-N 366.424 4.770 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(c3ccc(Br)cc3)C1)O2 587374931 ZZYQRYHTHIPZEA-UHFFFAOYSA-N 372.262 4.621 0 1 FJAF C[C@@]1(c2nc(C(F)(F)F)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587509979 VCTITDLPUUBHCI-KRWDZBQOSA-N 367.392 4.921 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)s1 587615020 UYKPTUQTDOVION-CRAIPNDOSA-N 358.802 4.810 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccccc1F 587871020 NPJKQBMXTLBRHI-UHFFFAOYSA-N 374.412 4.660 0 1 FJAF COc1ccc(C[C@H](C)c2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC 587925727 HJCVXKNQAZRXQY-ZDUSSCGKSA-N 361.445 4.783 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587931292 RTQYVXDDKBIMFB-FZKQIMNGSA-N 362.351 4.915 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccnc(Br)c2[nH]1 587952473 RQJWDBHHYNIVTC-GVXVVHGQSA-N 352.276 4.767 0 1 FJAF CC(C)=CCC/C(C)=C\c1nc2cc(I)cnc2[nH]1 587968139 PIESQPITTSGSLM-XFFZJAGNSA-N 367.234 4.712 0 1 FJAF COc1cc2c(cc1F)CC[C@@]21c2ccsc2CCN1Cc1ccco1 962701035 CPPHRMUMVNFXHU-OAQYLSRUSA-N 369.461 4.737 0 1 FJAF COc1ccc(F)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772631385 UCZKIGZHONQJPI-INIZCTEOSA-N 357.406 4.564 0 1 FJAF COc1c2c(c(CC=C(C)C)c3occc13)N[C@@H]1C(O)=CC=C[C@@H]1C2=O 2356770782 HWGJCIRYJFWOQH-SJCJKPOMSA-N 351.402 4.555 0 1 FJAF CC[C@@H](C)NCc1c(C(=O)O)n(Cc2ccccc2F)c2cc(C)ccc12 6901253 RYTGQDKNRCXUBY-OAHLLOKOSA-N 368.452 4.723 0 1 FJAF C[C@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1[C@@H]2C)OCc1ccccc1 13475632 CUHNXKIICYLWNY-NCNNEKRASA-N 365.517 4.522 0 1 FJAF CC[C@@](O)(c1cccc(OC/C=C/c2ccccc2)c1)c1nccs1 26290419 RSWBEJZSPDPBFG-TYOLEZHBSA-N 351.471 4.881 0 1 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(F)c(O)c(F)c1 26661620 NSMWOXAJBAMIDC-UHFFFAOYSA-N 372.371 4.954 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@@H](C)CC3=O 29133095 HSTQNOLFVZHWOD-JTQLQIEISA-N 374.820 4.548 0 1 FJAF CCCOc1cccc(CN2CCN(Cc3cc4ccccc4o3)CC2)c1 58581052 CZPHWPDUDLEVFW-UHFFFAOYSA-N 364.489 4.539 0 1 FJAF CC[C@@H](C)Sc1nc([C@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 72112343 VTQLDBHBQZPZNO-ZYHUDNBSSA-N 352.450 4.789 0 1 FJAF C[C@]1(c2ccccc2)CCN(Cc2ccc(Br)cc2)C(=O)O1 72142451 ILGOGSGLIHTTBQ-GOSISDBHSA-N 360.251 4.707 0 1 FJAF CC(C)(C)c1ccc(CNC(=O)c2c3c(nn2-c2ccccc2)CCC3)cc1 103187708 CQTDGKBBTMZDJO-UHFFFAOYSA-N 373.500 4.589 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCCCc1ccc(F)cc1 142733831 QBRMYMYIRDNBMV-GFCCVEGCSA-N 370.251 4.649 0 1 FJAF COc1ccc(Cn2cc3c(c2-c2ccc(O)cc2)CCc2cnoc2-3)cc1 203387886 QKENMXFXGQVOQT-UHFFFAOYSA-N 372.424 4.671 0 1 FJAF Cc1noc(C)c1-c1cc([C@H](O)C2CCCC2)c2nc(C3CC3)[nH]c2c1 219268557 QMXGHJWYWHBEKK-HXUWFJFHSA-N 351.450 4.936 0 1 FJAF CSc1nc(Nc2ccccc2)c2cnn(CCc3ccccc3)c2n1 299869062 TWYBMYYYUNHDLF-UHFFFAOYSA-N 361.474 4.535 0 1 FJAF CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCCCO3 586970313 CWJJEWOTWUKYFM-UHFFFAOYSA-N 367.287 4.915 0 1 FJAF COc1cc(/C=C\c2nc3cc(F)cc(F)c3[nH]2)ccc1Br 586977923 VQQGXKDHQGMIQL-HYXAFXHYSA-N 365.177 4.783 0 1 FJAF COc1cc(/C=C/c2nc3cnccc3[nH]2)cc(Cl)c1OCC(C)C 587046236 DGEMJYOZQHSYCL-SNAWJCMRSA-N 357.841 4.825 0 1 FJAF Cc1cc(F)c2[nH]c([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587191127 KZUZVZSUJPMATC-GOSISDBHSA-N 369.440 4.967 0 1 FJAF CC(C)Oc1ccc2nc([C@H]3CCC[C@@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587233622 ULPLEJLNBCVZQB-GJZGRUSLSA-N 359.470 4.511 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2cc3nc(O)[nH]c3cc2[nH]1 587240345 IMTVNQVGZYCFMK-UHFFFAOYSA-N 371.400 4.564 0 1 FJAF CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342112 YXTASKWYGCGLLZ-IFMALSPDSA-N 363.388 4.591 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350368 DOUSCSIGXBVLOK-WIABTZJISA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1C(F)(F)F)O2 587382597 QLWTZIIYOMNFKS-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF CCCc1ccc(OCC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444282 YYHVBPGTZUPLQI-VGOFRKELSA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(Br)c1)CC2=O 587456694 AIDOLSTZDFDTSH-KRWDZBQOSA-N 361.235 4.814 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](C)Oc2ccc(F)cc21 587471729 MTGMGNOXQVISQK-XUSGNXJCSA-N 356.393 4.516 0 1 FJAF O=C(O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587505759 LJRFHSDQJXUQOB-SFHVURJKSA-N 356.805 4.624 0 1 FJAF CC(C)(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575866 GPEMPLULBUFMGB-NQIIRXRSSA-N 363.413 4.652 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)(F)F)N1 587710006 PVIMWWFRHPAXPL-OQPBUACISA-N 354.185 4.680 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(F)c2)N1 587723531 AVQIAUMBLMJEKC-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4cnc(Cl)cc4[nH]3)cc2)c1 587780672 FYFJTWJLDHTTBU-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Cc1coc(C)c1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587826642 FXVCUPSJGOVYDS-QGHHPUGFSA-N 352.247 4.596 0 1 FJAF COc1ccccc1NC(=O)Cc1nc(-c2cccc(Cl)c2)cs1 587920320 HNQYYPNKYVWURM-UHFFFAOYSA-N 358.850 4.653 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1cccc(O)c1 653882154 QSWYEANWSAACBW-AKIFATBCSA-N 356.425 4.533 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccccc1)Oc1ccc(F)cc1-2 653893456 QHXFQBAJAKPGFY-KRWDZBQOSA-N 372.510 4.910 0 1 FJAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)CC2=O 15115083 JYESOAFLKFHYHP-GOSISDBHSA-N 352.430 4.919 0 1 FJAF biogenic,in-vitro Oc1cccc(C[C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)c1 22864214 NCHVKDWFWTUXRV-DEOSSOPVSA-N 364.533 4.626 0 1 FJAF CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@H](O)c1cc(C)ccn1 29063222 BLDQXLMFISDTGV-IBGZPJMESA-N 367.320 4.685 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2c(F)ccc(F)c12 63540313 ZAEAGGGBPKOFMY-UHFFFAOYSA-N 368.265 4.571 0 1 FJAF CC1=Nc2ncnn2[C@H](c2ccccc2Cl)/C1=C(\O)OC1CCCCC1 104059429 IJABWFIZTUAAJK-GROYHEBESA-N 372.856 4.746 0 1 FJAF COc1ccccc1CC(=O)Nc1nc2ccc(C(F)(F)F)cc2s1 169309124 LNDJSDMEFMMOSK-UHFFFAOYSA-N 366.364 4.505 0 1 FJAF O=C(O)CC1CCC2(CC1)CCN(c1cc(F)cc(Cl)c1F)CC2 209058084 GVMZIQCXQRZWJK-UHFFFAOYSA-N 357.828 4.870 0 1 FJAF CC(=O)[C@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)(C)C 586990361 DGKMZQMKBITWHP-OAQYLSRUSA-N 359.425 4.871 0 1 FJAF FC(F)(F)Sc1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587031860 MYDDRUGOVDMDQR-UHFFFAOYSA-N 356.394 4.976 0 1 FJAF Brc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587037490 VWHGBZSPTPFSBQ-ZDUSSCGKSA-N 351.294 4.766 0 1 FJAF Fc1cc2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2cc1Br 587084207 JGCOCRCFBPWUIW-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@@H](CC(=O)O)C4)-c1ccccc1C2=O 587101440 NIWBIBKOUSZSAC-CHWSQXEVSA-N 357.409 4.505 0 1 FJAF Fc1cc(CCc2nc3ccc(F)c(Br)c3[nH]2)cc(F)c1F 587138558 LSYRWSUCEBZHDX-UHFFFAOYSA-N 373.147 4.667 0 1 FJAF Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341532 XBGKJECBXUEYQJ-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF CC[C@@H](C)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442753 LJHCWNCCYOLGJG-IPTDYSPRSA-N 352.430 4.706 0 1 FJAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(Cl)ccc21 587500543 PYPLHTLXOONVFZ-IBGZPJMESA-N 366.848 4.812 0 1 FJAF O=C1C[C@]2(CCCCC[C@H]2Cn2ccnc2)Oc2c1ccc1c2CCCC1 587513975 CNQNBUAABRASPV-MBSDFSHPSA-N 364.489 4.746 0 1 FJAF Cc1cccc(F)c1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587717565 GEWSGRYXXFBQSO-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2F)N1 587727721 PFVATMBTOFGJHF-BMLIUANNSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(F)c2)N1 587733185 PXKHUQHBGJRIPG-VOJFVSQTSA-N 366.249 4.719 0 1 FJAF Cc1cc(F)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587736420 ZUVXZUDKHQHREX-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S)cc2)N1 587847412 XMXSOVXURHJNJF-BTDLBPIBSA-N 366.299 4.675 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3ncc4c(n3)-c3ccccc3CCC4)n1)O2 587875041 MFMYLOVAVZGUQC-UHFFFAOYSA-N 370.387 4.730 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587927474 RKFUBIDXWVUUQW-JTQLQIEISA-N 366.248 4.824 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc5c(c4[nH]1)CCCC5)(C3)C2 587951490 WGZKHURTPDOQEE-IWENEADUSA-N 364.489 4.595 0 1 FJAF CN(C)Cc1csc([C@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962711085 SSQQRNAKNUONRI-FQEVSTJZSA-N 372.559 4.786 0 1 FJAF COc1ccc(NC(=S)N/N=C/c2ccc(-c3ccccc3)cc2)cc1 6299385 IMCCYPMIEKKUMP-PXLXIMEGSA-N 361.470 4.683 0 1 FJAF CC[C@@H](C)NCc1c(C(=O)O)n(Cc2ccc(F)cc2)c2cc(C)ccc12 6795715 ORKSEALTXLEGPL-OAHLLOKOSA-N 368.452 4.723 0 1 FJAF CCN1CCc2cc(Cl)cc([C@@H](c3ccc(F)cc3)n3ccnc3)c21 13489546 ZZVWJQNVTDFWKN-LJQANCHMSA-N 355.844 4.696 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(C#N)cc2)n(-c2ccccc2)n1 14250381 ZUYDWSPRJQIDOT-UHFFFAOYSA-N 359.433 4.685 0 1 FJAF C=C=C[C@H]1C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C21 26482044 MQSPPOHAJUFGCG-XRHWHBSGSA-N 364.485 4.835 0 1 FJAF COc1cc([C@@H](OC(C)=O)c2ccc3ccccc3c2)cc(OC)c1OC 28894508 PUFCQNFUMKJOFX-NRFANRHFSA-N 366.413 4.518 0 1 FJAF Cc1ccc(S(=O)(=O)c2cc3ccccc3c3sc(C)nc23)cc1 84712554 LHZHTSUFHSRDDF-UHFFFAOYSA-N 353.468 4.899 0 1 FJAF OCc1c(CO)c2sc3ccccc3n2c1-c1ccc(F)c(Cl)c1 84729980 NZIRAFDAXWTEGZ-UHFFFAOYSA-N 361.825 4.598 0 1 FJAF Clc1cc(Cl)cc(CNc2cc(-c3ccc4c(c3)OCO4)ncn2)c1 95755478 VQYVPXUMLUQPQL-UHFFFAOYSA-N 374.227 4.791 0 1 FJAF C[C@]1(c2ccccc2)C[C@H](c2ccc(O)cc2)Nc2ccc(C(=N)N)cc21 96273304 OXFMSTZSZNVIGR-FYYLOGMGSA-N 357.457 4.539 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(Cl)c(C)c2[nH]1 586918099 WINSSBCSPGSUAM-XOBRGWDASA-N 354.837 4.741 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(F)c(Cl)cc3[nH]2)s1 587023595 RBQQMZVGNQBIEY-UHFFFAOYSA-N 368.821 4.826 0 1 FJAF Fc1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080821 PWDZLFLMKYCUFO-CYBMUJFWSA-N 367.605 4.794 0 1 FJAF CCc1c([C@H](CC)C(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097315 LEAQKIQNEVGTIN-HNNXBMFYSA-N 373.452 4.984 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105612 AYMJZTRMIKWMMK-SCLBCKFNSA-N 371.436 4.675 0 1 FJAF N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587159149 ZVMOHTGBIKFUPM-MEDUHNTESA-N 367.371 4.655 0 1 FJAF Nc1ccc(C(=O)CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587251738 MMMASSRJYZNUEH-UHFFFAOYSA-N 371.440 4.540 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC23CCCC3)[C@@H]1c1ccc(F)cc1 587347406 APFRURYQJDUYRJ-DENIHFKCSA-N 352.405 4.983 0 1 FJAF COc1cc2c3c(c1)O[C@@H](CCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587423172 SYYRGGAVUWDNMX-CJNGLKHVSA-N 363.240 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccccc1F)[C@@H](C2)C3=O 587428508 ZZNLPMFHHSHSSL-CYFREDJKSA-N 374.411 4.720 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587432276 VQGJXGIHEYXTHL-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(C[C@H](c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587446325 CBLWIGHNHZCIIE-FZOAFFARSA-N 368.432 4.874 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4ccc(C)cc4)cs1)[C@@H](C2)C3=O 587448749 BWIUXFOKBRYZTG-MGPUTAFESA-N 363.438 4.616 0 1 FJAF Cc1cc(Br)cnc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500372 WOLNHGUPJZIQAS-KRWDZBQOSA-N 372.262 4.738 0 1 FJAF CCCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656439 KQELGXXEUZLZCW-UHFFFAOYSA-N 370.399 4.952 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C(C)(C)C)c2)N1 587752144 BYVXCQDMSZAMLO-DIFFPNOSSA-N 365.290 4.768 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587825916 CAPZJPFLLXZCQI-VVVCHXIZSA-N 352.247 4.596 0 1 FJAF CC(C)c1cnc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852977 JWQJIVRCSYRUAQ-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF COc1ccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@H]3c2ccccc2)cc1 653857505 MDWADHPSBOTRTJ-JRFVFWCSSA-N 370.452 4.836 0 1 FJAF Cc1c(F)ccc2c1[C@@](c1ccc(F)cc1)(c1ccc(F)c(F)c1)NCC2 962373680 IRRRAWCMEMTZJF-JOCHJYFZSA-N 371.377 4.989 0 1 FJAF COc1ccc2occ(CCNCc3ccc(-c4ccc(O)cc4)o3)c2c1 1857552689 IOXYKQXENMYUPM-UHFFFAOYSA-N 363.413 4.739 0 1 FJAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1 61926686 ZNYAYKTZZJWKSP-IBGZPJMESA-N 354.450 4.792 0 3 FJAF FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3ccncc3)n2)c1 600450 RUZDLQFYMAFCOE-UHFFFAOYSA-N 364.302 4.519 0 1 FJAF Cc1cn2c(/C=C3/C(=O)Nc4ccccc43)c(-c3ccccc3)nc2s1 5800888 TWDDLWLECWRWMF-LFIBNONCSA-N 357.438 4.864 0 1 FJAF Cc1c(CN[C@H]2CCC[C@@H](C)[C@H]2C)c(C(=O)O)c(C)n1Cc1ccccc1 13496391 YTCVOOYFAFINKO-ZOCZFRKYSA-N 368.521 4.766 0 1 FJAF O=C(NCCc1cccc(C(F)(F)F)c1)Nc1cccc2cnccc12 13608735 BGQKMFQDIUFOHM-UHFFFAOYSA-N 359.351 4.618 0 1 FJAF O=C(CCCN1CCC2(CCc3ccccc32)CC1)c1ccc(F)cc1 13766748 DGDSZKSHJGFASX-UHFFFAOYSA-N 351.465 4.769 0 1 FJAF CSc1c(Cl)cc2c(c1Cl)CCN2C(=O)Nc1cccnc1 13779438 GUPRPPNDFYELMC-UHFFFAOYSA-N 354.262 4.705 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@H](C)CC3=O 29132935 WEMNDZLFVVGGDI-NXEZZACHSA-N 374.820 4.547 0 1 FJAF CCCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@H](C)O3 29133500 XUIBOQHCAYSWFE-GXTWGEPZSA-N 368.429 4.674 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CCC[C@@H]2Cc2ccccc2)c1Cl 40404251 NNEBWQCEZXSTPA-QGZVFWFLSA-N 364.880 4.712 0 1 FJAF Cc1csc(C[C@@]23CNCC[C@]2(c2ccc(Cl)c(Cl)c2)C3)n1 43207729 KMNJYBBPXRFSBY-IAGOWNOFSA-N 353.318 4.622 0 1 FJAF CCCc1nc2c(NCc3ccc(F)cc3)ncnc2n1C[C@H](C)CC 82185989 DPIBRVYOOHHMJE-CQSZACIVSA-N 355.461 4.576 0 1 FJAF CC(C)CNC(=O)[C@@H]1CCCN1c1nc(-c2ccc(C(C)C)cc2)cs1 82191986 CENYZPGNLWXBDB-IBGZPJMESA-N 371.550 4.675 0 1 FJAF C[C@H](COC(=O)c1ccccc1Cl)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935056 NOKDBZIPWLRBFI-FBXVJESZSA-N 350.886 4.710 0 1 FJAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccc(F)cc3)c2)n1 103248611 GNHWEFRBSKOWRM-UHFFFAOYSA-N 359.788 4.600 0 1 FJAF CC[C@@H]1C(=O)N(C2CCN([C@H]3CCc4ccccc4C3)CC2)c2ccccc21 117334553 PEUSKIKGDTWFQX-VXKWHMMOSA-N 374.528 4.549 0 1 FJAF CC(=O)O[C@H]1C[C@@H](C)[C@](C)(/C=C/c2ccoc2)[C@H]2CCC[C@@H](C(=O)O)[C@]12C 197208281 ANOFHMQPLUCEOM-AYSVVSKPSA-N 374.477 4.778 0 1 FJAF O=C(Nc1nc2ccccc2[nH]1)c1cc(C(F)(F)F)ccc1C(F)(F)F 299868984 SXMYCDSBTBKQFW-UHFFFAOYSA-N 373.256 4.853 0 1 FJAF Cc1ccc(-c2nc(-c3nc4c(F)c(F)c(F)c(F)c4[nH]3)cs2)o1 587017148 SJRXGFUWDADGPU-UHFFFAOYSA-N 353.300 4.811 0 1 FJAF Cc1cc2[nH]c(C(=O)Nc3ccccc3Cl)nc2cc1Br 587060198 FLPUHVNFXZEPJC-UHFFFAOYSA-N 364.630 4.540 0 1 FJAF O=C(CCCc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1ccc(Cl)cn1 587081533 BTWVVHSGMHJTNC-UHFFFAOYSA-N 370.186 4.749 0 1 FJAF Cn1ncc2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc21 587105244 UNWIUDWLFOGLPO-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF CC(C)(C)c1cccc2nc([C@]3(C)C=C(c4ccccc4F)NO3)[nH]c12 587154387 FADVXFTZOCOWED-NRFANRHFSA-N 351.425 4.791 0 1 FJAF Cc1ccc(CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1N 587250140 IPIZRFWSEVJZSA-UHFFFAOYSA-N 353.775 4.911 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(O)cc21 587481214 MVEFQGSFINYIQD-DEOSSOPVSA-N 372.420 4.940 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C1/CCCO1)(c1ccccc1)CC2=O 587483245 FBEPYUVQZFEBRT-VOJYKXCQSA-N 364.441 4.900 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@H]3CCCO3)s1)CC2=O 587492316 CBOJNEYWKQOKFW-IAGOWNOFSA-N 358.459 4.964 0 1 FJAF COC(=O)c1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504278 WGBYZAJYFVLNCQ-LJQANCHMSA-N 370.832 4.712 0 1 FJAF O=C1C[C@H](c2coc3ccc(F)cc3c2=O)Oc2c1ccc1c2CCCC1 587506540 KQVHPIKIVKWOEX-HXUWFJFHSA-N 364.372 4.517 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Cl 587558664 SREOAWJFLRKAQA-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF C[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600338 ANXZMZPEGNPQRM-ZJSXRUAMSA-N 372.420 4.758 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2c1CCCC2 587603626 QHKUZRYCOCONBN-XUZZJYLKSA-N 372.420 4.974 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(N3CCOCC3)c2c1 587642421 LXYDBCWCIWGYAR-CQSZACIVSA-N 366.509 4.535 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587717427 GAAUBPRPYRKQNC-DYBLOJMWSA-N 366.249 4.968 0 1 FJAF Cc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587730084 WSUYBVRGVFRGBZ-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1cc(F)ccc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587731808 ZZXAVMMTKWTOPL-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF CCn1c(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587753363 VJMXZEZBSHMESG-YPMLDQLKSA-N 365.290 4.650 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CC2)N1 587816337 WQVVWGODDRNFJL-BLVKFPJESA-N 360.270 4.776 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccc(Cl)n1 587861021 KEEKUDINNWPVFD-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF Cc1c(Cl)cccc1NCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873345 ZJWYCAMREYPXGP-UHFFFAOYSA-N 357.772 4.509 0 1 FJAF CC(=O)NCCc1ccc(O[C@@H]2C=CCCC2)cc1-c1cccc(F)c1 653740481 UBHNDCKTYRVQEP-HXUWFJFHSA-N 353.437 4.659 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](c2nc3ccccc3n2C)(C2CC2)N1 962944263 HLXICBCKOYQHNJ-FYSMJZIKSA-N 370.500 4.633 0 1 FJAF CC(C)c1oc2cccc(CC3CCCCC3)c2c(=O)c1OCCCO 1857745317 INAFFPWIWGRCPI-UHFFFAOYSA-N 358.478 4.800 0 1 FJAF CC(=O)OC[C@]12C=CCC[C@@H]1[C@](C)(CC[C@H](C)CC(=O)O)[C@H](C)CC2 2356593394 IXVLFGNKARRZOI-JZVCSLHYSA-N 350.499 4.829 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)O)O2 2356643102 HIMKMNPGLLJADY-DBOLQNLKSA-N 350.499 4.578 0 1 FJAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2cccc3ccccc23)O1 95569459 JBXRZDALEHREMW-IFXJQAMLSA-N 366.486 4.807 0 3 FJAF OC1(c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)CCCCCC1 8536518 FQCVRQANGXISJZ-UHFFFAOYSA-N 351.425 4.820 0 1 FJAF COc1ccc(-c2cnc(Nc3c(C)cccc3C)c3cncn23)cc1OC 28641389 BDAMKFRNKDCHBQ-UHFFFAOYSA-N 374.444 4.774 0 1 FJAF Cc1cc(N2CCCC2)c2ncc(CSCCc3ccccc3)n2c1 40847609 UCGKEIHCUXDCLU-UHFFFAOYSA-N 351.519 4.719 0 1 FJAF O=C1OC2(CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)c2ccccc21 42891420 MRAUSWDIGQKZKV-UHFFFAOYSA-N 352.821 4.940 0 1 FJAF O=C(N1CC[C@]2(CCCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 43020546 VVKFKQIRBWHKSV-JOCHJYFZSA-N 365.904 4.878 0 1 FJAF CCCCN(CC)c1nc(N[C@H](C)CC)nc(Oc2ccc(OC)cc2)n1 82067045 SSOPRQPAYYRUFA-OAHLLOKOSA-N 373.501 4.509 0 1 FJAF CCOc1ccccc1CNc1cc(Oc2cccc3cccnc23)ncn1 82068317 XQDLUTOCOQUILC-UHFFFAOYSA-N 372.428 4.828 0 1 FJAF CCCSc1nnc(-c2nc3ccccc3n2Cc2ccc(F)cc2)o1 103285987 DTPVHMHAUUKWDI-UHFFFAOYSA-N 368.437 4.776 0 1 FJAF CC(C)(C)OC(=O)n1c(-c2ccc(/C=C\C(N)=O)cc2)cc2ccccc21 213611999 GNZNNFALCSHPDY-RAXLEYEMSA-N 362.429 4.590 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 253635542 RDPJISLOFXUIDK-VACPVCEGSA-N 357.538 4.515 0 1 FJAF investigational CN1CC[C@@]2(c3cccc(O)c3)C[C@H]1Cc1[nH]c3c(ccc4ccccc43)c12 253694689 LAODXGIVJPBGKB-CJAUYULYSA-N 368.480 4.963 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(Br)c(F)c3[nH]2)cc1 586886147 DWKUBHIXNGYXOV-HWPZZCPQSA-N 363.230 4.610 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H](C(F)F)C3 586985960 IITMMTIVTJKUIV-NSHDSACASA-N 365.379 4.912 0 1 FJAF Cc1nc(-c2ccccc2)sc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587011462 KCMGOYIEXPVKJB-UHFFFAOYSA-N 374.391 4.999 0 1 FJAF Fc1c(F)c(F)c(/C=C\c2nc3c(F)cnc(Cl)c3[nH]2)c(F)c1F 587134479 LTQPWCJCZLQORS-UPHRSURJSA-N 363.648 4.616 0 1 FJAF Nc1c(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc2ccccc12 587254465 QPCIAKUWSRQFGO-UHFFFAOYSA-N 373.641 4.776 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccc(F)cc1)(c1ccccc1)O2 587385113 RIFBNACAUOALCY-HSZRJFAPSA-N 361.416 4.820 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587418028 GMFRUAKHAYYTEI-YUWJWYLASA-N 354.833 4.658 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccccc1Cl)[C@@H](C2)C3=O 587420733 RARMEPLPFGFLLH-LHSJRXKWSA-N 365.816 4.628 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587446601 ZUCJCPILZTZMJJ-FKHUDQKESA-N 364.485 4.988 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587455831 QLGXSKQRNFFCIT-MBSDFSHPSA-N 360.409 4.596 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCSc3ccc(F)cc31)CC2=O 587472646 SULBCHKYLYNYGX-FQEVSTJZSA-N 358.434 4.840 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](Oc2ccccc2)C1(C)C 587481065 PGABNRYDTLWEIC-NZQKXSOJSA-N 366.457 4.926 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3cc(OC)ccc31)CC2=O 587482032 QZSSNVAFKVQKQY-QHCPKHFHSA-N 366.457 4.940 0 1 FJAF Cc1nc(C(F)(F)F)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506729 LCHQPAQKOLVFQZ-QGZVFWFLSA-N 361.363 4.994 0 1 FJAF C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603690 QWKFSXZCCFABKB-QOTHJRBRSA-N 364.441 4.939 0 1 FJAF CCc1cccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587717080 FKYJKJBMVMCDSK-XTZNXHDOSA-N 366.249 4.913 0 1 FJAF COc1cccc(C2(c3nc4cc(Br)cnc4[nH]3)CCCC2)c1 587930119 DNNNVOLZNUVYLB-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF CCc1cccc(F)c1[C@@H]1NC2(CC2)Cc2ccc(Br)cc21 961613238 HJFBQGZVLLEMOP-GOSISDBHSA-N 360.270 4.918 0 1 FJAF CC[C@@]1(c2cccc(Cl)c2F)NCCc2cnc3c(OC)cccc3c21 963041793 YUACSHKOHYSSHC-NRFANRHFSA-N 370.855 4.835 0 1 FJAF O=C1[C@@H]2C=CC=C[C@@H]2[C@H](c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1 1772645425 CSFKVIAKLNZNPY-QKLQHJQFSA-N 361.832 4.663 0 1 FJAF CC(C)=CCCC(C)=CC=C[C@]1(C)C[C@@H](O)CC(C)=C1[C@@H](O)CC(=O)O 2356845644 OGXRBXPEGCXCCR-CNNODRBYSA-N 362.510 4.548 0 1 FJAF CC(=O)Nc1cc(-c2ccc(F)cc2)cn2c(-c3ccc(F)cc3)cnc12 61908480 IACINUJCWHXMOO-UHFFFAOYSA-N 363.367 4.905 0 3 FJAF OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@H]1Oc1ccc(C2CCCC2)cc1 7992165 NQAJYCGJAFXJBZ-ZLNRFVROSA-N 350.458 4.780 0 1 FJAF CCCC(=O)c1c2c(c3oc(=O)cc(CCC)c3c1O)C=CC(C)(C)O2 14448227 SMRSMFDNXPPPCA-UHFFFAOYSA-N 356.418 4.618 0 1 FJAF endogenous,in-man Cc1ccccc1[C@@H](OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 28221114 BWNMYDFFSCWUHU-QRVLJTFESA-N 367.533 4.725 0 1 FJAF O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1c1cc(Cl)ccc1O 40379677 VTBIJEIKZLXUPK-ZDUSSCGKSA-N 359.756 4.850 0 1 FJAF COC(=O)COc1ccc(-c2c(C)cccc2C)cc1-c1nc(C)c(C)[nH]1 45390931 RBRNSLPGKZOARC-UHFFFAOYSA-N 364.445 4.529 0 1 FJAF c1ccc(CNCC[C@@H]2CCOC(c3ccccc3)(c3ccccc3)O2)cc1 71280745 XUODIYLJFSKPDU-XMMPIXPASA-N 373.496 4.873 0 1 FJAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@@H]3C)nc2-c2ccco2)oc1C 82165405 DQNWAQPUXAHPGM-BLLLJJGKSA-N 352.438 4.999 0 1 FJAF O=C(NC1CC1)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671162 NKTMGVQULVMCBW-INIZCTEOSA-N 366.408 4.586 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2[nH]ccc12 115765096 ZJZLZZNFSZDXAZ-UHFFFAOYSA-N 352.825 4.872 0 1 FJAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1C[C@H]2OC3=O 140731897 BMUVJFGCCPHXOJ-ZMPRRUGASA-N 358.478 4.893 0 1 FJAF endogenous,in-man CN(C)CCC[C@]1(c2cccc3ccccc23)OCc2cc(C#N)ccc21 142612115 AAWULYVNLMFIDB-DEOSSOPVSA-N 356.469 4.827 0 1 FJAF CC(C)(C)c1ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2c1 586984944 WMYDDGBYLYVPEQ-OAHLLOKOSA-N 372.310 4.865 0 1 FJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F 586986986 RXYNREDIUFJUPB-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF CCc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116195 SLKISPGLPPNKES-UHFFFAOYSA-N 370.172 4.969 0 1 FJAF COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C 587135175 USZYANZWJGZSAE-ONEGZZNKSA-N 354.278 4.746 0 1 FJAF O=C1C[C@@H](c2cccc(F)c2-n2cccn2)Oc2c1ccc1c2CCCC1 587508167 SMBWTMUIHIWDOV-FQEVSTJZSA-N 362.404 4.597 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724697 LHZGZTCZFRYWNI-BBATYDOGSA-N 366.249 4.833 0 1 FJAF C/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815047 JVAYRQFGCOFFSD-HRMGQXQRSA-N 360.270 4.942 0 1 FJAF Cc1ccc2c(c1)[C@]1(C=CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587840232 XBIBCRRLZLXCBN-BLVKFPJESA-N 374.253 4.581 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=N)c1cccc(C)n1 587865117 VFZBAIKEBXCXSE-UHFFFAOYSA-N 374.366 4.545 0 1 FJAF CCOC(=O)c1c([C@H]2NCCc3cccc(-c4ccccc4)c32)[nH]c(C)c1C 962669112 PAKJYIDKRPIKMN-QFIPXVFZSA-N 374.484 4.710 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(C)cc1)C(F)(F)F 963049140 AMUDEGMXMLCDII-FQEVSTJZSA-N 372.390 4.503 0 1 FJAF CC(=O)O[C@@H]1C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC[C@H]1C(C)C 2356453932 QSFKOXOLMLLFAI-YNEGROOLSA-N 362.510 4.828 0 1 FJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4c(C(=O)c5ccccc5)c(O)cc(O)c4[C@@H]1[C@@H]23 2356549460 CDDSLAQEAHDJRA-OEBNWMLRSA-N 364.441 4.630 0 1 FJAF Cc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F 61907510 OVESGGKHRXOGFQ-MRXNPFEDSA-N 350.315 4.625 0 3 FJAF CCCCc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)CCC2)cc1 13557098 FUOWCQPGVBVRLA-UHFFFAOYSA-N 370.518 4.526 0 1 FJAF O=C(S[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1 26575553 LQXUNOUTYYEYRO-FQEVSTJZSA-N 362.450 4.923 0 1 FJAF CCCCC1=C(Br)/C(=C/Br)N(CCCC)C1=O 35330462 ZSTPMDDYLWHPIY-LUAWRHEFSA-N 365.109 4.704 0 1 FJAF CC1=C(C(=O)O)[C@@H](CCCCCCCCCCCCC[C@@H](C)O)OC1=O 85945703 RJNPNSFGRBJXHX-SJLPKXTDSA-N 368.514 4.765 0 1 FJAF biogenic O=C(Nc1c(Cl)cccc1Cl)C1=C(O)CCn2c1nc1ccccc12 100024910 FJOLRXOSWXBPTJ-UHFFFAOYSA-N 374.227 4.655 0 1 FJAF Cc1cc(F)ccc1Oc1ccc(Cl)cc1C(=O)Nc1cc[nH]c(=O)c1 143191723 POWGSPMXXFULOC-UHFFFAOYSA-N 372.783 4.520 0 1 FJAF Nc1c(C(=O)Nc2cccc3ccccc23)sc2nc3c(cc12)CCC3 145576525 LIJOYFSJPVIFBK-UHFFFAOYSA-N 359.454 4.773 0 1 FJAF CO[C@H]1C[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169298485 BLHLYSLDSMMWFB-YFNVTMOMSA-N 371.908 4.696 0 1 FJAF CCCCn1c(=O)c2c(c3cc(C(=O)NC(C)(C)C)ccc31)CCCCC2 169328892 LMRVMPZVLVEIQX-UHFFFAOYSA-N 368.521 4.599 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)nn2CC(F)(F)F)cc1 299829969 WAWFFWAJABODIS-WCQYABFASA-N 352.360 4.521 0 1 FJAF COC(=O)C[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096266 BTQNIQZBEABKAQ-CQSZACIVSA-N 371.436 4.738 0 1 FJAF COc1cc(-c2nc3ccccc3[nH]2)cc(-c2ccc(C(=O)O)cc2F)c1 587144005 OWAYWFODCRNNCJ-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF Cc1ccc(C)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc12 587258251 CUFVYYGGOSUPSM-IBGZPJMESA-N 372.472 4.752 0 1 FJAF C/C(=C/[C@@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536614 XLRWGOJAJSPKQW-QKWZMAAQSA-N 367.514 4.953 0 1 FJAF Cc1cc(C)cc(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603872 RZVQWLLJQKLEPZ-RTWAWAEBSA-N 360.409 4.582 0 1 FJAF CCc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604851 ZKWLYUIPKWUSDQ-OFNKIYASSA-N 360.409 4.966 0 1 FJAF NC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2c1 587949398 FHACOJWQOSKZLW-QBFSEMIESA-N 355.397 4.625 0 1 FJAF Oc1ccc([C@@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(Cl)c1 962706918 MTAFTHQZLONQJQ-BLVKFPJESA-N 363.885 4.638 0 1 FJAF CCCc1ccccc1OC[C@@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579735 AJIUZQXFIWGVET-FQEVSTJZSA-N 359.897 4.572 0 1 FJAF NC(=O)N(O)[C@@H]1CCCc2cc(OCc3ccc4ccccc4c3)ccc21 13760621 ZKPWRXSLOLJZQP-OAQYLSRUSA-N 362.429 4.566 0 1 FJAF Cc1ccccc1C(=CCCN1CCC[C@@H](C(=O)O)C1)c1ccccc1C 13827938 QWORJCLBNJDDNK-HXUWFJFHSA-N 363.501 4.922 0 1 FJAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1C(F)(F)F 28526666 STCJOUJYTRRLKN-MVWRLGRASA-N 362.395 4.704 0 1 FJAF c1ccc(-c2cccc(-c3cncc4sc(-c5nnn[nH]5)cc34)c2)cc1 40409364 STRITJLAEWKALT-UHFFFAOYSA-N 355.426 4.810 0 1 FJAF CN1C[C@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@H]2CCCC[C@@H]21 64513505 DSUFLXVZHYLIGK-CCDWMCETSA-N 373.496 4.925 0 1 FJAF CC(=O)NCCC1=C(c2cccc(C(C)C)c2)Cc2ccc3c(c21)CCO3 71317181 VERILOROOMDMCV-UHFFFAOYSA-N 361.485 4.738 0 1 FJAF CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82136215 PHVLROFTFQKZPO-UHFFFAOYSA-N 370.472 4.557 0 1 FJAF CC[C@@H](COC(=O)NCc1ccccc1)Oc1cccc(C(F)(F)F)c1 103194098 JXZQDPLYRFIXOB-INIZCTEOSA-N 367.367 4.789 0 1 FJAF CC[C@H]1Cc2cc(OC)c(O)cc2[C@H](c2ccc(O)c(OC)c2)[C@@H]1CC 218919225 XWRKSUJIWPCHLR-JWCWZOIMSA-N 356.462 4.855 0 1 FJAF CCCC[C@H](C)COC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 299804832 YFJUFXGBUYGFIH-QWKURWNHSA-N 352.515 4.824 0 1 FJAF COc1ccc([C@H]2CC(c3c(O)cc(C)c(Cl)c3C)=NO2)cc1OC 299862737 NTYISZVTKPXPEZ-MRXNPFEDSA-N 361.825 4.545 0 1 FJAF Cc1cc(-c2nc3c(Cl)nccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878640 HYGULNVTAPVWOO-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF CCCCC1CCC(c2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)CC1 586883875 HOMUBZCVUVWVKZ-UHFFFAOYSA-N 366.509 4.782 0 1 FJAF CSc1ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2c1 587126913 INWFCQCOARSCMR-UHFFFAOYSA-N 364.352 4.727 0 1 FJAF CN(C)C(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144849 DGUACOKLABWJQL-UHFFFAOYSA-N 373.431 4.662 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCCC(C)C)[C@@H](C2)C3=O 587439625 BUUMUGWNTQCJGX-HTAPYJJXSA-N 352.430 4.609 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1sccc1Br)CC2=O 587493581 SKSASNVBGSRLDY-CQSZACIVSA-N 367.264 4.875 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2SC[C@@H]1C 587498198 ZIYXZLLWBGUBRK-ZSEKCTLFSA-N 354.471 4.947 0 1 FJAF Cc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CO 587529047 IHFURIAPIPJXTR-NRFANRHFSA-N 350.458 4.689 0 1 FJAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc2O1 587535992 PUGKZIFMAGHEAX-HSZRJFAPSA-N 364.441 4.693 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cc[nH]c12 587590230 RYCNPVAOUSXGQQ-AVRDEDQJSA-N 357.365 4.576 0 1 FJAF CC(C)[C@]1(C)CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602277 HMZWQBLVIBZRCW-QIJUGHKUSA-N 352.430 4.939 0 1 FJAF C/C=C\C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc([C@H](C)CC)cc12 587640424 AFUXHDHZNKWKOW-YFUXJNFDSA-N 352.478 4.672 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Cl)c2)N1 587697238 SCMDDELSBLFKII-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(F)(F)F)N1 587709752 NUNMYIXXDKIREF-LDYMZIIASA-N 354.185 4.896 0 1 FJAF CCc1ccc(CC)n1-c1cc(Br)cnc1Br 587940847 PZJBKBVHAMCOSR-UHFFFAOYSA-N 358.077 4.522 0 1 FJAF COc1ccc([C@H]2NCCc3ccc(F)c(C)c32)cc1O[C@H]1C=CCCC1 962296257 FVSBGAFITVVZLN-FDDCHVKYSA-N 367.464 4.865 0 1 FJAF ClC1=CC=CC=C[C@@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962648771 YHTJQBZOTPYJKE-XUZZJYLKSA-N 374.915 4.878 0 1 FJAF Fc1cccc(-c2nc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)co2)c1 963101832 MEBBEZCVZMKRSK-FXAWDEMLSA-N 352.384 4.730 0 1 FJAF Cc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)c(Br)n1 963112984 UESUDJVTLUBMFM-CQSZACIVSA-N 372.093 4.694 0 1 FJAF COc1ccc(-c2cnc(Nc3ccc(-c4cnco4)c(OC)c3)o2)cc1 3594943 IHXWKEIWPIPRNF-UHFFFAOYSA-N 363.373 4.757 0 1 FJAF Cc1ccc(C(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)O)cc1 3648503 JGZPYYREBSYWHY-UHFFFAOYSA-N 351.427 4.698 0 1 FJAF C[C@@H]1Cn2c(C(=O)N[C@H](C)c3ccccc3)cc3c(Cl)ccc(c32)O1 6750819 WJDFYRZAAURMQL-CHWSQXEVSA-N 354.837 4.567 0 1 FJAF CCCCc1nccn1C[C@@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651100 GOJOTRAQHYVGFP-NRFANRHFSA-N 374.484 4.528 0 1 FJAF Fc1cc(F)c(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)cc1F 14961350 LNRILYJJWLNTQP-UHFFFAOYSA-N 370.334 4.736 0 1 FJAF CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@H]1O[C@H]1C/C=C\CCC(=O)O 34961924 BOFBVWROGCPAFH-CCFUIAGSSA-N 358.478 4.507 0 1 FJAF in-vitro O=c1oc(-c2cccnc2Oc2ccccc2)nc2cccc(Cl)c12 43021083 TXDFUBTXFCOIJR-UHFFFAOYSA-N 350.761 4.696 0 1 FJAF COc1ccc(-c2ccc(C(=O)N(C)Cc3cccc(OC)c3)s2)cc1 73166035 FIAIMOMMGBSFAV-UHFFFAOYSA-N 367.470 4.705 0 1 FJAF CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190306 IEWNYSVWKHASKF-ZDUSSCGKSA-N 367.478 4.806 0 1 FJAF CC(C)C(=O)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84668355 GLRWSJVGVRVHFK-MRXNPFEDSA-N 353.409 4.897 0 1 FJAF O[C@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185013 AXPWNFAVTPIWHV-NGRWLJPCSA-N 366.892 4.836 0 1 FJAF C[C@H](O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1 103252370 JTWFOVKRVUEGDP-LRDDRELGSA-N 369.358 4.556 0 1 FJAF N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2ccc(-c3ccccc3)cc12 202394977 SBDFYKRGADTCMH-UHFFFAOYSA-N 354.365 4.573 0 1 FJAF COC(=O)/C=C(\C)CC[C@@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@@H]1C 238778900 LNECUDALXOQOBS-PXNNQKQISA-N 362.510 4.838 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(C)=O)[C@]4(C)CC[C@H]32)C1 255261812 QXKRUGDXPWHXHL-NQNIXMJNSA-N 374.521 4.813 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(C3=COCC3)[nH]c12 586912547 GOXQYJOUVWEATM-UHFFFAOYSA-N 373.334 4.595 0 1 FJAF CC/C=C\CCOC(=O)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990575 ZHKYZPWZNPRLNQ-ARJAWSKDSA-N 373.408 4.665 0 1 FJAF COc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1OC 587012134 OWAIPKQISSQGEA-UHFFFAOYSA-N 365.458 4.603 0 1 FJAF Cc1c(Br)ccc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 587056114 HEWXHOWOZAELQT-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(N)cc1F 587136181 KZCPVYGTIVZVMQ-UHFFFAOYSA-N 351.784 4.921 0 1 FJAF Cc1ccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587146606 SHPDDYJVUFAAAF-SNAWJCMRSA-N 366.621 4.992 0 1 FJAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587504314 GZHCVXNRZDRCRA-XMHCIUCPSA-N 352.405 4.736 0 1 FJAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C=O 587519341 ZRPXQHAHVBBVAX-NRFANRHFSA-N 359.425 4.646 0 1 FJAF CC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601791 HRXYZQDDZDHXAH-NZQKXSOJSA-N 360.409 4.968 0 1 FJAF CC(C)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603802 PQFDLOSDSMFKQK-OHEPNIRZSA-N 352.430 4.939 0 1 FJAF Cc1ccc(OC[C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587802025 PECXGJZNARUXLZ-KPZWWZAWSA-N 364.258 4.551 0 1 FJAF FC(F)(F)c1ccc(C[N@]2C[C@@H]2COc2cccc3cnccc23)cc1 1857742793 AYKSPCUGCZMKGI-CRICUBBOSA-N 358.363 4.517 0 1 FJAF COC(=O)C[C@H](CC[C@@H]1C(C)=CC[C@@H]2C(C)(C)CCC[C@]12C)C(=O)OC 2356463490 AXMJAEHKLHWQFC-KCXPTXFHSA-N 364.526 4.918 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@@H](O)CC(=O)OC 2356829613 JAGYGWPYZGEFSW-CUXKYVRBSA-N 368.558 4.797 0 1 FJAF O=C(c1ccc(Cl)cc1)[C@H]1CCCN(Cc2cccc3ncccc23)C1 12308384 BMXFXPBMISVUEZ-SFHVURJKSA-N 364.876 4.983 0 3 FJAF C[C@@]1(Cc2ccc3ccccc3n2)C(=O)Nc2ccc(OC(F)(F)F)cc21 61926219 ASTOXIHEKGMHMD-IBGZPJMESA-N 372.346 4.586 0 3 FJAF O=C1NC(Nc2ccccc2Cl)=N/C1=C\c1ccc(Cl)cc1Cl 6040859 JLSUZMDDMLEQEG-AUWJEWJLSA-N 366.635 4.586 0 1 FJAF CCCN[C@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 28346250 GWZRAKXYBMTKCM-DEOSSOPVSA-N 356.469 4.543 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccccc3C)s2)cc(OC)c1OC 40430197 JVBPSFJHYXTGAM-UHFFFAOYSA-N 368.454 4.980 0 1 FJAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1 43073523 LLMIBFIKVLEZID-UHFFFAOYSA-N 367.468 4.997 0 1 FJAF Nc1c2c(nc3ccc(NC(=O)CCCc4ccccc4)cc13)CCCC2 45335361 MUNUEDRMELBSIX-UHFFFAOYSA-N 359.473 4.657 0 1 FJAF CSc1ccc(-n2c(-c3ccccc3)nc3cc(F)ccc3c2=O)cc1 72108087 NJRSQYFDQZTZJO-UHFFFAOYSA-N 362.429 4.914 0 1 FJAF CCN(C)C(=O)c1cnc(NCC2CCCCC2)nc1-c1cccc(C)c1 82147175 WTGRPBIWWKFNKQ-UHFFFAOYSA-N 366.509 4.536 0 1 FJAF CC[C@@H](C)NC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc(C)c1 82216796 LHFLZHJICMSEMN-QGZVFWFLSA-N 374.488 4.592 0 1 FJAF CCCCN1CC[C@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 100725799 NFMMEMGJUAQARN-MHECFPHRSA-N 360.501 4.980 0 1 FJAF CC(C)(NC(=O)c1cccc(-c2cccc(Cl)c2)n1)c1nccs1 207726774 ZPQNKTKDFAUCQU-UHFFFAOYSA-N 357.866 4.524 0 1 FJAF C1=CCn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)COC1 299815212 GHBIFDBGDNHWRO-UHFFFAOYSA-N 368.440 4.928 0 1 FJAF COC(=O)c1cc2nc(-c3ccc(-c4ccc(C)o4)cc3)[nH]c2cc1OC 586904121 ZWGBHTCTNWFTOA-UHFFFAOYSA-N 362.385 4.594 0 1 FJAF Oc1ccc(C2(c3nc4cc(Cl)cc(Cl)c4[nH]3)CCOCC2)cc1 586912109 DYCZQMPVRQHSFG-UHFFFAOYSA-N 363.244 4.672 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(F)(F)F)c2[nH]1 586963401 MVRDBRNHUQOIGC-LLVKDONJSA-N 368.384 4.629 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)c(F)cc3[nH]2)c1 586982957 SNXQUUXDDMFPMX-UHFFFAOYSA-N 353.578 4.597 0 1 FJAF Fc1cc2[nH]c(CSCc3ccsc3)nc2cc1Br 587028142 WCFCBPMAXQGWBG-UHFFFAOYSA-N 357.273 4.959 0 1 FJAF Oc1ccc2scc(-c3nc4ccc(Br)c(O)c4[nH]3)c2c1 587031972 DLHYYTRFAGRBNE-UHFFFAOYSA-N 361.220 4.618 0 1 FJAF COC(=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048054 FVZIZCQNWOHEHO-MNOVXSKESA-N 361.228 4.927 0 1 FJAF CC(C)(C)c1ccc2nc(C3CCN(c4nccnc4Cl)CC3)[nH]c2c1 587084739 HTSIFUMSXYMRSH-UHFFFAOYSA-N 369.900 4.688 0 1 FJAF COc1cccc(O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105849 AVZCETBBPKWANM-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3ccnc(Cl)c3[nH]2)c1 587122350 CBBXDKDMXUWAQU-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF CCOc1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)ccc1OC(F)F 587130394 LMQITBDUPQMUGL-GQCTYLIASA-N 365.767 4.782 0 1 FJAF O=C1c2ccc(O)cc2O[C@](C2CCC2)(C2CC2)[C@H]1c1ccc(F)cc1 587349601 CKMUHSSQOBDDPS-RBBKRZOGSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@@H]1c1c(F)cccc1Cl)O2 587382144 OOEFFNOGHGZSQX-SZZPBAKOSA-N 359.828 4.897 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1F)[C@@H](C2)C3=O 587428138 XAUULECHQALXML-MBSDFSHPSA-N 360.384 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3cc(N)ccc31)CC2=O 587472588 KPDBYIHZFWLFRG-JOCHJYFZSA-N 351.446 4.514 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(N)cc1)CC2=O 587473380 SXVDWWZWTTVDPG-XMMPIXPASA-N 373.452 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@](COCc1ccccc1)(C(C)C)CC2=O 587477694 FYKUBDQIHMJSOA-HSZRJFAPSA-N 368.473 4.922 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cccnc12 587527306 SFFRFIAHMUTHSE-XMMPIXPASA-N 369.420 4.975 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Cl)c1 587574384 ZHJVVPZUZDUTPH-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF CC(C)C[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603805 PQFDLOSDSMFKQK-WQFQCULDSA-N 352.430 4.939 0 1 FJAF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c1 587627227 QAVVGWNRHFKZFV-UHFFFAOYSA-N 358.825 4.708 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3ccccc23)N1 587774911 OEHMKWBLIRMJQD-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587852845 NNGRYJLUXQBJBP-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF Cc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)c2c(C)c(C)sc2n1 587876444 OOYZOCZWYPYJBV-UHFFFAOYSA-N 352.394 4.714 0 1 FJAF COc1ccc(/C=C\Cc2nc3c(Cl)cnc(Cl)c3[nH]2)c(OC)c1 587928390 BBBIUPKJOZKDDQ-ARJAWSKDSA-N 364.232 4.538 0 1 FJAF Cc1ccsc1[C@@]1(CC(C)(C)C(=O)O)NCCc2c1sc(C)c2C 963014117 TZAJEDCIIKEUTI-LJQANCHMSA-N 363.548 4.625 0 1 FJAF C[C@@H](C[C@]1(C)NCCc2c(Cl)cc(Cl)cc21)NC(=O)OC(C)(C)C 963126969 YJAZBQUHPRGILK-VOJFVSQTSA-N 373.324 4.658 0 1 FJAF CN1CCc2c(Br)cccc2[C@]1([C@@H](O)C(C)(C)C)C(C)(C)C 963290775 YLIRTSWYWJFSLC-LPHOPBHVSA-N 368.359 4.585 0 1 FJAF C[C@@H](c1ccc(F)cc1)n1nnc2cnc3ccc(-c4ccncc4)cc3c21 1772588891 PFJJWRSPKHRESS-AWEZNQCLSA-N 369.403 4.790 0 1 FJAF Fc1cccc(CC[C@@H]2CN(Cc3ncn4ccccc34)CCC2(F)F)c1 1772600732 XMWWYSYUXMCNBF-QGZVFWFLSA-N 373.422 4.563 0 1 FJAF Clc1nc2c(nc1Cl)N(CC[C@@H]1CCCN1)c1ccccc1S2 1857746643 SZZKRUFUIHOYGG-JTQLQIEISA-N 367.305 4.528 0 1 FJAF Cc1ccc(NC(=O)N[C@@H](C(=O)Nc2ccccc2C)c2ccccc2)cc1 1857761936 BNMJCWMBYXWERV-OAQYLSRUSA-N 373.456 4.805 0 1 FJAF CC(C)Oc1ccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)cc1 74373017 GUOBCLATFFUDNR-UHFFFAOYSA-N 361.449 4.505 0 3 FJAF CC(C)(CC(=O)O)Cc1nc2cc(F)ccc2n1Cc1ccc(Cl)cc1 597753 XKGDERIYYDNMFJ-UHFFFAOYSA-N 374.843 4.921 0 1 FJAF O=C(CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 834311 RAXXCOSHERWCGK-UHFFFAOYSA-N 357.444 4.882 0 1 FJAF C=C/C=C1\C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26483928 GVMYVUUOWVTMJJ-VCQVGXCGSA-N 364.485 4.991 0 1 FJAF C/C=C1\C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26483968 NQTJYLUENOWMAI-IEGFVDGDSA-N 352.474 4.824 0 1 FJAF CCCCN(Cc1ccc2ccccc2c1)c1ccc2nc(N)nc(N)c2c1 40847979 XROWQZMGTMLPOY-UHFFFAOYSA-N 371.488 4.754 0 1 FJAF CCNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49088161 UCJASZOKKRTZRQ-ZDUSSCGKSA-N 357.281 4.503 0 1 FJAF CC1(C)[C@@H]2CC=C(CN3CCCN(CC4=CC[C@@H]5C[C@@H]4C5(C)C)CC3)[C@H]1C2 101044576 BBGHXYBFTRQTBB-ODAXIHTASA-N 368.609 4.979 0 1 FJAF COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)c[nH]c23)cc1 169328042 ZLRWBDUWFCZPMC-UHFFFAOYSA-N 358.445 4.634 0 1 FJAF CC(=O)O/C=C1/C=C\C=C(/C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 238774054 PUSGGIDEGQFCFM-RNLXSGMPSA-N 358.478 4.880 0 1 FJAF Cn1ccc(C2=CC[C@@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)n1 253754433 MWFGFJCWGXXGTB-LXNNMKQJSA-N 352.522 4.737 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(CCO)cc4[nH]3)c2)cc1 586878820 APLBWUZYBTWJSS-UHFFFAOYSA-N 356.425 4.634 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 586895355 XSOFFFASPQLZDM-UHFFFAOYSA-N 353.784 4.577 0 1 FJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 586916009 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4.670 0 1 FJAF Cc1ccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587517323 KVYMYTNCHFTNIZ-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cncc3ccccc23)N1 587775806 ADOIJBFCBQINDL-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ccc3c2)N1 587803991 QJZXLGVQFUQCDQ-JEOXALJRSA-N 373.269 4.867 0 1 FJAF COc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C 587805577 GJJMJEDGYVAKOK-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF CCc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587816001 SHIKNFVHHDKDNN-CWTRNNRKSA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cs2)N1 587850140 XJCVILXUBVMGNV-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF COc1cccc(CCCCCCCCN2CCC[C@@H](OC(C)=O)C2)c1 653702422 LNCDQARJXWKHNB-JOCHJYFZSA-N 361.526 4.606 0 1 FJAF COc1c2c(cc(O)c1CC=C(C)C)OCC(c1ccc(C)cc1O)=C2 653812683 QWKKQFNUIBURDH-UHFFFAOYSA-N 352.430 4.857 0 1 FJAF Cc1ccc(Br)c(COc2ccc(CCC(=O)O)cc2C)c1 1772615488 FSTAUQNZQYZTBV-UHFFFAOYSA-N 363.251 4.662 0 1 FJAF Brc1ccc2sc3c(c2c1)CCN(Cc1cccnc1)C3 1772626572 NFJCZGHFENHITA-UHFFFAOYSA-N 359.292 4.617 0 1 FJAF CC(C)=CCCC(C)=CCC[C@]1(C)Oc2ccc(C(=O)O)cc2C[C@@H]1O 2356499842 KSXMPLFGEDQAEG-UNMCSNQZSA-N 358.478 4.912 0 1 FJAF COC(=O)C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@@H]2CC[C@H]1C 2356519664 LNECUDALXOQOBS-IIPCHUTBSA-N 362.510 4.838 0 1 FJAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCCO4)[C@@H](C)[C@@H]2C)cc1OC 2356524672 BBSVRRFIUUMCCG-JVAKMFGZSA-N 370.445 4.560 0 1 FJAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)C=C[C@@H](C(C)C)[C@]2(O)CC1 2356643723 CSTQRRVKUOEJIE-HIGZBPRKSA-N 366.501 4.931 0 1 FJAF CCOC(=O)CCCNC(=O)O[C@@H]1CCC12CCC(c1ccccc1)CC2 96019231 YRRSDZAXPNTMCU-GSVIPDFHSA-N 373.493 4.563 0 3 FJAF CC(=O)O[C@@H](C[C@@]1(C)[C@H](C)CC[C@]23COC(=O)C2=CCC[C@H]13)c1ccoc1 1626252 DZAYTXGDCMMRGZ-ZCQPYHSOSA-N 372.461 4.590 0 1 FJAF biogenic,in-man CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395139 RPIWNKCKNAVMOS-QJBXRSQYSA-N 359.554 4.739 0 1 FJAF C[C@@H]([C@H](C)CCN1CCC[C@@H](C)C1)S(=O)(=O)c1cccc2ccccc12 27640300 NSIUOUDAPUEWFM-QRVBRYPASA-N 373.562 4.760 0 1 FJAF CN1CCN(C2=Nc3cc(F)ccc3Nc3sc(C(C)(C)C)cc32)CC1 28000940 RVQPMNRSVPOYMC-UHFFFAOYSA-N 372.513 4.567 0 1 FJAF c1ccc2c(-c3cnc4[nH]nc(-c5nc6ccccc6[nH]5)c4c3)cncc2c1 28822550 UBDAMLJKQGPQFB-UHFFFAOYSA-N 362.396 4.716 0 1 FJAF Cn1c(-c2ccc(Cl)cc2F)nnc1-c1ccccc1C(F)(F)F 29043587 HGHKNLNCCWSEIA-UHFFFAOYSA-N 355.722 4.960 0 1 FJAF COc1ccc(CCc2cccc(/N=c3\ccn(C)cc3Cl)c2)cc1 43024957 RABCSDJQBZOJST-XTQSDGFTSA-N 352.865 4.705 0 1 FJAF C/C=C(/NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccccc1 64704911 KWXCRWZWBFVDOG-XNWCZRBMSA-N 372.639 4.718 0 1 FJAF Cc1ccc(N2C(=O)[C@@H](c3ccccc3)C[C@H](c3ccccc3)C2=O)cc1 73197064 MZAMWDUMGIEZEU-FGZHOGPDSA-N 355.437 4.826 0 1 FJAF CCCn1cnc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2c1=O 95579135 UGXBKSSZCZZYIT-UHFFFAOYSA-N 364.836 4.752 0 1 FJAF Cc1ccc([C@@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2ccccn2)o1 101573603 HMBKTQQANBQUJM-FQEVSTJZSA-N 360.417 4.691 0 1 FJAF C[C@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116231925 BXYWNNBCTFBNED-ZDUSSCGKSA-N 365.408 4.513 0 1 FJAF O=C(NC1CC1)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 169295806 ZTRBOBVGGNZMJG-RZRLTVMMSA-N 358.485 4.875 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2Br)c2c1C(=O)CC(C)(C)C2 299826860 FBBHGPDDCYKEJF-UHFFFAOYSA-N 367.674 4.752 0 1 FJAF CC(C)(C)c1cccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c12 586997739 SMDNMUNQBYBNQK-MRXNPFEDSA-N 359.267 4.705 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(O)cc2[nH]1 587035067 NMSPSVIQDQRWLZ-HNNXBMFYSA-N 365.458 4.754 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccnc(Cl)c2[nH]1 587044509 GVEIOBBEIAPBIM-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF NC(=O)c1cccc2[nH]c(-c3ccc(-c4cc(Cl)ccc4Cl)o3)nc12 587050223 GJANOVIJYNWPGL-UHFFFAOYSA-N 372.211 4.896 0 1 FJAF Fc1cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c(F)c1F 587116051 LMIYKJYYVMWCID-UHFFFAOYSA-N 368.240 4.609 0 1 FJAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587162634 XTSMJEYEYMWRCV-VHSXEESVSA-N 366.621 4.784 0 1 FJAF CO[C@@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399959 LEILZVZIXHSJPD-BJKOFHAPSA-N 373.452 4.826 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCc4c(Cl)cc(Cl)cc41)[C@@H](C2)C3=O 587422971 RYBXDHABHHFXOV-IFXJQAMLSA-N 361.224 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc([C@@H](C)N(C)C)c1)CC2=O 587467049 BWMVKJKRUANXLW-SPLOXXLWSA-N 353.462 4.674 0 1 FJAF O=C1C[C@]2(CCCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 587500899 QIMCUMBXPLDSJZ-NRFANRHFSA-N 353.849 4.811 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1 587542788 ADXZHKHJGYUXGY-XLIONFOSSA-N 352.773 4.749 0 1 FJAF C[C@@H]1c2ccccc2CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602475 IBFRANWSLYZHEF-FVFQAYNVSA-N 372.420 4.843 0 1 FJAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587615472 XNLWAFJFZNBUSO-GHTZIAJQSA-N 366.438 4.948 0 1 FJAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615644 XIQIVZQXBJHJAX-PXNSSMCTSA-N 352.411 4.719 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccc(F)cc2)N1 587735105 PCDJMALBKRNUPD-VOJFVSQTSA-N 366.249 4.719 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@@H]2C2CC2)N1 587824269 VVOHCLLMAHTTFY-OMPKRAJASA-N 352.291 4.918 0 1 FJAF O=C(c1cc(C2CC2)cc(C2CC2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587875489 PCRBRFRBMMRENN-UHFFFAOYSA-N 361.376 4.633 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)cc1OC 587929075 PMQYWBHVACVSHN-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF CCCCOc1ccccc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962620357 HFWPTAJRFRKJJD-OPAMFIHVSA-N 369.505 4.849 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]21CCOc2ccc(C(C)(C)C)cc21 963257129 HRTZSHLCYWAIPH-JOCHJYFZSA-N 371.908 4.818 0 1 FJAF CC(C)(C)c1nc(Nc2ccccn2)sc1Cc1ccc2c(c1)OCO2 1772607426 KBLOQASQRKDWSP-UHFFFAOYSA-N 367.474 4.899 0 1 FJAF COc1ccc2c(c1)[nH]c1c(N3CC[C@H](Cc4ccccc4)C3)nccc12 1857629821 MIBIJDVVIHDUQL-QGZVFWFLSA-N 357.457 4.794 0 1 FJAF Cn1c(-c2ccccc2Br)cc2cc(CCC(=O)O)ccc21 1857749607 ZHBIZYWFEDHZCS-UHFFFAOYSA-N 358.235 4.625 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCC(C)(C)O4)cc1OC 2356407474 ZVBSFMQVRAVTJW-LJQANCHMSA-N 368.429 4.514 0 1 FJAF COc1cc2c(C(F)(F)F)c(-c3ccsc3)oc(=O)c2cc1OC 61969100 CKNJICWNLYIWBZ-UHFFFAOYSA-N 356.321 4.558 0 3 FJAF CCOC(=O)c1ccc(Nc2cnc3ccc(C(F)(F)F)cc3n2)cc1 1650383 JHASSYZZFXHJQQ-UHFFFAOYSA-N 361.323 4.569 0 1 FJAF CC1(C)CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1 22938027 YBDPFVPDVAAUOC-AZUAARDMSA-N 358.888 4.740 0 1 FJAF C1=C(c2cccs2)CC[C@H](CCN2CCN(c3ccccn3)CC2)C1 27711901 AAFWZBAPCZZXNP-GOSISDBHSA-N 353.535 4.539 0 1 FJAF in-vivo Cc1cc(NC(=O)C(=O)O)cc(C)c1Oc1cccc(-c2ccccc2)c1 29407813 CCKNTRPNHKPPAL-UHFFFAOYSA-N 361.397 4.786 0 1 FJAF Fc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCOCC1 40430889 OCWBPAOZCWFBFZ-UHFFFAOYSA-N 371.843 4.603 0 1 FJAF CN1CCC[C@H]1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45315322 LFTRETXSBJCGDP-INIZCTEOSA-N 352.522 4.991 0 1 FJAF Clc1ccc(-n2nc3c4c(ncc3c2OCC2CC2)CCCC4)cc1 66076665 VINUCJJPLQYRFQ-UHFFFAOYSA-N 353.853 4.742 0 1 FJAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1cc3ccccc3cc12 100018414 KTKHZHDJXLBDAG-UHFFFAOYSA-N 373.387 4.640 0 1 FJAF Cc1cccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)c1 100728460 DCCIBUPSLSMHHL-CWJKEVGVSA-N 369.892 4.820 0 1 FJAF CCc1ccc(-c2nc(N)c3cc(CN4[C@@H](C)CCC[C@H]4C)sc3n2)o1 118596069 XEUKFUARDJGJMN-BETUJISGSA-N 370.522 4.859 0 1 FJAF Cc1c[nH]c2ncnc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 140247744 LJVJBPUZSHCEND-UHFFFAOYSA-N 361.380 4.716 0 1 FJAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)C1 203669147 DVFYDKZICAOYRF-QGZVFWFLSA-N 367.405 4.647 0 1 FJAF CCC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253633384 JVJYOCYVDQOIIM-JYPOYCRRSA-N 350.289 4.839 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1COCC1CCCCC1 253634288 MCXWYACNYOTKNC-QBDSXYBJSA-N 350.499 4.578 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1Cc1c2n[nH]c1C(F)(F)F 253639374 STCJOUJYTRRLKN-UMHPPVOVSA-N 362.395 4.704 0 1 FJAF O=C(O)COc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1 299834647 UYOWOXLGNJQXLO-UHFFFAOYSA-N 371.436 4.879 0 1 FJAF O=C(CCCc1nc2c(Cl)c(Cl)cnc2[nH]1)c1ccc(Cl)cn1 587082820 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C[C@H](C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587530486 VPYWLYYKDRAYHB-IQMFZBJNSA-N 364.441 4.537 0 1 FJAF CC[C@@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600475 BCIXBSLRBZJFDK-FGXHJERBSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(F)cc2F)N1 587726379 WZMRRHXFTHISAV-XYZCENFISA-N 370.212 4.684 0 1 FJAF COc1ccc(-c2nc3ccc(Br)c(C)c3[nH]2)c(OC)c1C 587787118 KTPRPIFJUPTHGI-UHFFFAOYSA-N 361.239 4.626 0 1 FJAF Cc1ccc(/C=C/[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826578 FFTRVUVBUVFCCS-WHMWMOPMSA-N 350.231 4.778 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587929774 KVCYFGHLBNJOGR-KZULUSFZSA-N 362.351 4.915 0 1 FJAF Cc1cc([C@]2(C)c3cccc(Br)c3CCN2C)cc(C)c1O 963289883 RAVYKYGWBFEEMB-LJQANCHMSA-N 360.295 4.523 0 1 FJAF CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)OCCC2 1772623686 QJSXBBXSNSLJFB-DUXPYHPUSA-N 372.306 4.919 0 1 FJAF CC(=O)N1c2ccc(-c3cccs3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 1857645480 CMAUHLPZEGZJFI-SUMWQHHRSA-N 372.490 4.736 0 1 FJAF COc1cc([C@H](O)c2nc(-c3cccc4cccnc34)cs2)ccc1F 61906317 UZMDLFUXXPNLBS-IBGZPJMESA-N 366.417 4.588 0 3 FJAF COC(=O)C/C=C\[C@@H](C)[C@@H](OCc1ccccc1Br)C(C)C 8606161 ZNXUGWNPKPHYLU-OANZSSJVSA-N 369.299 4.746 0 1 FJAF CCc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945203 WHVFDPUFUPEECO-UHFFFAOYSA-N 371.440 4.803 0 1 FJAF COc1cccc2c(-c3c(C)n(CC(=O)O)c4ccc(C)cc34)ccnc12 36126997 CUMXSLBXLLYSHN-UHFFFAOYSA-N 360.413 4.567 0 1 FJAF Clc1cc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c2c1 66079410 QFBXRRPMXXIQQZ-UHFFFAOYSA-N 362.780 4.558 0 1 FJAF CC[C@@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 82160113 WWPFPNRLTDONIZ-QGZVFWFLSA-N 366.509 4.535 0 1 FJAF Clc1ccc(-c2nnc(/C=C/c3ccc4c(c3)OCO4)o2)c(Cl)c1 96284412 NFANTQGYWHAJBS-QHHAFSJGSA-N 361.184 4.943 0 1 FJAF COC(=O)C1=CCC[C@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CC[C@H](C)CC(=O)O 135892841 RGIHYDMQKFVDLN-ZWRCPRFYSA-N 350.499 4.829 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCC4)cc3F)cc12 219346865 FMBQUFGOROXWNR-UHFFFAOYSA-N 373.811 4.740 0 1 FJAF 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]1[C@H](O)C3 255212846 GMXCDLKAZNOBQD-OZGLDGIJSA-N 374.565 4.656 0 1 FJAF CN(C)CCOc1ccc(N(Cc2ccccc2)c2ccc(O)cc2)cc1 299855345 DQWNGNZHDPMKNU-UHFFFAOYSA-N 362.473 4.671 0 1 FJAF Fc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1F 586978036 XMRHHTGMUZWCQE-UHFFFAOYSA-N 373.584 4.836 0 1 FJAF Oc1nccc2nc(-c3csc(-c4cccc(Cl)c4Cl)n3)[nH]c12 587015610 SDOQPFNSIXDKBW-UHFFFAOYSA-N 363.229 4.761 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(F)cnc(Cl)c2[nH]1 587076245 RYOUKVTWFQKFSN-UHFFFAOYSA-N 362.195 4.565 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)n1 587079174 HDZYNEJBABWVMI-QMMMGPOBSA-N 358.751 4.949 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2cc(Br)c(C)c(C)c2[nH]1 587133454 XLTGRESMWVYBJV-UHFFFAOYSA-N 367.193 4.896 0 1 FJAF Nc1c(F)c(F)cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1F 587136759 MEDITUVLKUGFLL-UHFFFAOYSA-N 363.286 4.841 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc4cc(Cl)cc(C)c4n1)[C@@H](C2)C3=O 587419869 FQIZBUAONXAAAE-BTYIYWSLSA-N 365.816 4.694 0 1 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FJAF COc1cc2c(cc1O)[C@]1(C)[C@@H](CC2)Cc2c(ccc(OC)c2OC)[C@@H]1C 2356328753 FUPJEWGULFOIHV-HMFCALDFSA-N 368.473 4.598 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]2CC[C@@]3(C)C=C[C@]21C3 2356624342 BDOAWQRZWHQUEM-QIVLDXRCSA-N 360.494 4.582 0 1 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1cccc(F)c1 96018865 MATZKGDVEFHFQJ-ZNQKWNQWSA-N 371.839 4.915 0 3 FJAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSC#N)[C@H]1CCC2=O 14947092 RCUYUXXIFXLVMF-KJNZLNQQSA-N 355.503 4.592 0 1 FJAF COc1ccc([C@H]2CC(c3cccc4ccccc34)=NN2C(C)=O)cc1OC 66097952 QGAQAQGBKKRHFM-OAQYLSRUSA-N 374.440 4.555 0 1 FJAF Fc1ccc([C@@H]2C[C@@H](c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 72112512 WOPYGCGXARBGTL-HOTGVXAUSA-N 363.223 4.870 0 1 FJAF c1ccc(OCCNC[C@H]2CCC(c3ccccc3)(c3ccccc3)O2)cc1 73279527 STDDNPFGFREFHT-XMMPIXPASA-N 373.496 4.778 0 1 FJAF COC(=O)/C=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 169297862 AQJDWVJQNYDHGA-LLRMVXSQSA-N 360.538 4.735 0 1 FJAF Cn1cc(-c2cnc3ccc(N(CC4CC4)c4ccccc4)cc3n2)cn1 204158075 VDVZOCBAFGDAKS-UHFFFAOYSA-N 355.445 4.578 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCCc1ccc(F)cc1 207807551 NMOXQLIAHHBBFP-NSHDSACASA-N 357.208 4.686 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4cc(Br)ccc4[nH]3)oc12 586904581 XVNPAKJBDUKDGI-UHFFFAOYSA-N 371.190 4.560 0 1 FJAF Cc1cc2[nH]c(-c3cccc(OCc4csc(C)n4)c3)nc2c(C)n1 587020465 SYDKIEVHRNQLAX-UHFFFAOYSA-N 350.447 4.586 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587041374 NBLPUDWBBRSURB-RBUKOAKNSA-N 351.519 4.807 0 1 FJAF CC(C)Oc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587112918 IKWSBDXYQXUMCV-HNNXBMFYSA-N 363.383 4.611 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 587249187 DIZNCQVNJLNCDX-UHFFFAOYSA-N 366.646 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Cl)c(Cl)cc1F)O2 587380731 CIAJHRMTDLVQKY-KRWDZBQOSA-N 354.208 4.904 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(C=O)cc3)cc1)O2 587403997 CAKWQVZSIJULMQ-JOCHJYFZSA-N 357.409 4.763 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(C)c(Br)c(C)c1)[C@@H](C2)C3=O 587414123 SMCHNEAPKBHYKH-LIRRHRJNSA-N 373.246 4.563 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC)c(-c4ccccc4)c1)[C@@H](C2)C3=O 587445411 YSCIEMLSMSCXOV-CYFREDJKSA-N 372.420 4.860 0 1 FJAF CCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C(F)(F)F)n1 587502551 AETNXPMZUJDIFU-INIZCTEOSA-N 364.367 4.507 0 1 FJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530479 CIGPYQTYESQCIS-QKKBWIMNSA-N 364.441 4.507 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](C(F)F)CC2 587557792 TXGAYNPQZOGAPX-JRQSSSKMSA-N 374.383 4.938 0 1 FJAF C[C@]1(c2cccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569177 PHVSBSGPCQEITH-LAUBAEHRSA-N 368.335 4.547 0 1 FJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)[nH]c2ccccc12 587588858 MGLGDZSAMBSNFU-CVDCTZTESA-N 371.392 4.885 0 1 FJAF CC1(C)C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603601 OBXGTTKOQNPNOH-YKSBVNFPSA-N 372.420 4.931 0 1 FJAF COc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1C 587805572 GJJMJEDGYVAKOK-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C2CC2)N1 587850912 GKFHEHBYGBLJIB-DYZYQPBXSA-N 366.299 4.838 0 1 FJAF CN1CCN(c2ccc3nc(/C=C/c4cccc5ccccc45)[nH]c3c2)CC1 587967499 IAGMQSDABYYRGF-FMIVXFBMSA-N 368.484 4.638 0 1 FJAF O=C(O)Cc1ccc(-c2cccc(NC(=O)OCc3ccccc3)c2)cc1 653798090 OTIAORYBBUHGMR-UHFFFAOYSA-N 361.397 4.729 0 1 FJAF O=C(COc1cc2ccccc2oc1=O)c1ccc(-c2ccccc2)cc1 653811104 KWJRFYOQXMKKRY-UHFFFAOYSA-N 356.377 4.722 0 1 FJAF O=C(CCCCCCCCc1ccc(O)cc1)c1c(O)cc(O)cc1O 653858783 XNMKFKNNXSUXRV-UHFFFAOYSA-N 358.434 4.665 0 1 FJAF Cc1ccnc2c1CCN[C@@]2(c1ccc(C)c2ccccc12)C(F)(F)F 963068461 LLSRDYMPHUHIMZ-HXUWFJFHSA-N 356.391 4.803 0 1 FJAF Cc1ccc(-c2nc3ccccn3c2[C@H]2NCCc3ccc(O)cc32)c(C)c1 963342041 QIHKOEJSMOCYGP-QFIPXVFZSA-N 369.468 4.559 0 1 FJAF Oc1nc(-c2ccccc2)c2cc(-c3ccc(N4CCCC4)nc3)ccc2n1 1772581298 YJQWXTBKMKUHRZ-UHFFFAOYSA-N 368.440 4.665 0 1 FJAF CCC[C@@H](Nc1nnc(C)c(-c2ccc(O)c(OC)c2)n1)c1ccccc1 1772598128 YRVWSINBWCLPCS-QGZVFWFLSA-N 364.449 4.515 0 1 FJAF O=c1ccc2ccc(OC[C@H]3CC(c4cccc5ccccc45)=NO3)cc2o1 1772609781 KAWSYZJKKHBWBB-GOSISDBHSA-N 371.392 4.518 0 1 FJAF CN(c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1)c1ccccn1 199264464 BOESFCPFNFREMO-UHFFFAOYSA-N 356.429 4.512 0 3 FJAF Nc1nc(-c2ccccc2)cc(-c2ccc(OCc3ccccc3)cc2O)n1 1862884 ZRAUXVNABAJBBZ-UHFFFAOYSA-N 369.424 4.677 0 1 FJAF CN(C)Cc1ccccc1-c1ccc2ncnc(N(C)Cc3ccco3)c2c1 4268223 YRXIPEMLNCNTLE-UHFFFAOYSA-N 372.472 4.588 0 1 FJAF COc1ccccc1N1CCN(CCC[C@@H]2CCCc3ccccc32)CC1 13740669 HIHMWBRIJRFADD-NRFANRHFSA-N 364.533 4.718 0 1 FJAF CN(C)c1ccc(-c2cc(C(=O)c3ccc(Cl)cc3)c(N)s2)cc1 64564919 BYMJXFOMOHATRU-UHFFFAOYSA-N 356.878 4.948 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H](C(F)F)C3 586985959 IITMMTIVTJKUIV-LLVKDONJSA-N 365.379 4.912 0 1 FJAF COc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1C 587044939 XNLAXERGBAUDQQ-UHFFFAOYSA-N 367.232 4.871 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O 587446141 AGRRRXLKWJCYNS-GBXCKJPGSA-N 354.405 4.755 0 1 FJAF CCOc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587524387 NLUSCIJMNTXQJN-HXUWFJFHSA-N 352.430 4.679 0 1 FJAF Cc1cccc(OCc2nc3cc(Br)c(F)c(F)c3[nH]2)c1C 587563468 FWGWBHVQFNRXCV-UHFFFAOYSA-N 367.193 4.799 0 1 FJAF CC1=C[C@H](C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587604618 XKVWKQCSZLIULU-HBPUTOBISA-N 350.414 4.715 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3[nH]ccc3c2)N1 587803993 QJZXLGVQFUQCDQ-NSPYISDASA-N 373.269 4.867 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820130 YALPUBSVEJDAEK-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(C)(C)OC(C)(C)C2)N1 587835620 WQIVDAIZXBNDDU-NSHDSACASA-N 370.306 4.685 0 1 FJAF CCCc1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587851218 HQGOMEHSIARVSY-VFZGTOFNSA-N 369.303 4.621 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2ccc(C)cc2)nn1 587871614 LCXVYVSVOZZATP-UHFFFAOYSA-N 374.419 4.843 0 1 FJAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587936450 LKWUSMOFSQCNOC-XXFAHNHDSA-N 351.233 4.715 0 1 FJAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc(Cl)c(N)c2)n1 653681058 XWBQFTDOUJZEIF-QGZVFWFLSA-N 366.852 4.623 0 1 FJAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc4ncccc4c3)oc2c1 1911572822 VCQJUUFAUYBGTO-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CC(C)=CCc1ccc([C@H]2C(=O)OC(=Cc3ccc(O)cc3)[C@@H]2C)cc1O 2356394884 INWBNVWKWLOEKI-NYHFZMIOSA-N 364.441 4.924 0 1 FJAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@H](C)[C@]2(C)CCC(C)=CCOC=O 2356489647 DZICGSYWAZOKHD-XODARUQUSA-N 362.510 4.838 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 2356534645 GPTWTKZDAAYJRN-RBZFPXEDSA-N 370.445 4.991 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](C)(CC(=O)O)O2 2356643105 HIMKMNPGLLJADY-SEVLPDGMSA-N 350.499 4.578 0 1 FJAF COc1ccc(/C=C/c2nc(C)c3c(c2C)COC(C)(C)O3)c(OC)c1 2382227223 OOJRQROUBPTFDT-CSKARUKUSA-N 355.434 4.531 0 1 FJAF Cc1cccc(-c2nc3c(NCc4cccc(N(C)C)c4)nccc3[nH]2)c1 74386238 KGPNVULJEZIYFS-UHFFFAOYSA-N 357.461 4.611 0 3 FJAF CNc1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1 28824798 PZZJUJFSSYOKIK-PVXIVEMSSA-N 362.399 4.805 0 1 FJAF C=CC1=C(C(=O)NCc2ccccc2)[C@H](c2ccc(Cl)c(Cl)c2)OC1 73224472 PVAMLSXYCKMQTO-IBGZPJMESA-N 374.267 4.864 0 1 FJAF COc1cccc2c1CC[C@@]1(CCCCN1CCc1ccccc1C)C2=O 140521604 OBYHRYZKICLGEU-DEOSSOPVSA-N 363.501 4.600 0 1 FJAF COc1cccc(CN(C)C(=O)c2csc(-c3cccc(OC)c3)c2)c1 169351562 BMKAKCKCPAQCSU-UHFFFAOYSA-N 367.470 4.705 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)cc2)c1 169710115 QBEDAVXOZVBLMC-UHFFFAOYSA-N 358.445 4.597 0 1 FJAF Cc1cccc(Nc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c1 222393446 CAPRZSXGUIQKOH-UHFFFAOYSA-N 368.440 4.568 0 1 FJAF Fc1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587169032 QUMBQBKGEVQPMQ-UHFFFAOYSA-N 355.594 4.697 0 1 FJAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 587240029 FIFKRLVDPMNZNE-UHFFFAOYSA-N 359.813 4.936 0 1 FJAF COc1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cc1F 587244325 NYBXLPNYFLQFOI-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(Cl)cc1 587628118 HXRFPCGPHWWCEA-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2ccc(F)c(Cl)c12 587629133 VXDXYYMDJBIBKF-UHFFFAOYSA-N 353.180 4.693 0 1 FJAF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2cc(Cl)c(F)cc12)C(F)F 587629399 OAAZQWJWQNWZQN-UHFFFAOYSA-N 367.710 4.804 0 1 FJAF COc1ccc(OC)c(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c1OC 587799376 YKCWVMCBVXJWND-UHFFFAOYSA-N 353.205 4.563 0 1 FJAF Cc1ccc(OC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587802027 PECXGJZNARUXLZ-SGTLLEGYSA-N 364.258 4.551 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccco2)N1 587828632 OPDVAVZOCOIOOD-APPDUMDISA-N 352.247 4.563 0 1 FJAF CC1=COc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587840958 KZMZGAXNPXZMOI-HXPMCKFVSA-N 374.253 4.662 0 1 FJAF CC(C)c1ccccc1-n1cccc1[C@H]1NCCc2c1c(C(C)C)nn2C 962923120 YIKMXWSOOFBIPD-HSZRJFAPSA-N 362.521 4.693 0 1 FJAF COc1cc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)ccc1OC(F)F 963098688 GWTOPAHOEKKVDL-KUHUBIRLSA-N 363.379 4.546 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(C(N)=O)c4ccccc43)CC2)CC1 1857571725 OLKROLWNEXOWRE-HDICACEKSA-N 367.537 4.592 0 1 FJAF C[C@H](COc1ccccc1)COc1ccn(-c2ccc(Cl)cc2)c(=O)c1 1857572894 GDFQLBDJZAKUPU-MRXNPFEDSA-N 369.848 4.585 0 1 FJAF Cc1nccn1CCCCCCCCOc1ccc2ccc(=O)oc2c1 1857652908 JJFUXDTYFJCNRZ-UHFFFAOYSA-N 354.450 4.718 0 1 FJAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)N(CCO)C3=CC[C@@]21C 2356322824 BSTAVZCXPLMHKH-ROCBNMIRSA-N 357.538 4.552 0 1 FJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N(C)C 4295623 HHODYQZOCMVWFE-DLBZAZTESA-N 354.853 4.581 0 1 FJAF O=c1cc(-c2ccc(Oc3ccccc3)cc2)[nH]c2cc3c(cc12)OCO3 5593523 RLBXEENBVHIEDK-UHFFFAOYSA-N 357.365 4.716 0 1 FJAF Cc1c(Cc2ccc3ccccc3c2)nc(SC2CCCC2)[nH]c1=O 5891006 YJHYHAXJKJMTFH-UHFFFAOYSA-N 350.487 4.857 0 1 FJAF COc1ccc(-c2cc(-c3ccccc3)c(=O)n(C)c2-c2ccncc2)cc1 13473223 PPJRGOFTEWVULX-UHFFFAOYSA-N 368.436 4.790 0 1 FJAF Cc1cc(C)cc(-c2cc(C)cc(C)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c1 29482123 KNMFROHCOSXVOB-BGEOSOQGSA-N 350.458 4.667 0 1 FJAF COC(=O)[C@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C 34770350 GCZQXRVRKJJMBD-LBPUPLFVSA-N 356.506 4.720 0 1 FJAF biogenic Cc1cccnc1-c1nc(NC(=O)Nc2ccccc2)c2ccccc2n1 34800797 ZRJPKYPNWMTVCP-UHFFFAOYSA-N 355.401 4.644 0 1 FJAF CC/C=C/[C@H](CC)C/C(C)=C/[C@@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC 58537906 AVSPCYKDNIUSRR-VPOOSCSSSA-N 352.515 4.628 0 1 FJAF Cc1ccc([S@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NC(C)C)cc1 102788093 JWPLNQXQVGEYRP-XMMPIXPASA-N 365.886 4.620 0 1 FJAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@@H]1c1ccc(Cl)cc1 103189604 XNBNVQKCXSFFRM-OAQYLSRUSA-N 363.848 4.640 0 1 FJAF C/C(=C/COc1c2ccoc2cc2oc(=O)ccc12)CCCC(C)(C)O 238766411 MEFXRGFYZHLJTK-ZSOIEALJSA-N 356.418 4.806 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(C)(C)C)c2[nH]1 587040591 OPCDPLQWOAAJCB-AWEZNQCLSA-N 361.511 4.843 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587061291 CYVPJWKUVFVALI-JTQLQIEISA-N 356.735 4.507 0 1 FJAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158593 PFFRDUPTUJYLFF-FQEVSTJZSA-N 374.375 4.572 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cncc(Cl)c2[nH]1 587162770 JAGPJTWOKGOWTA-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF Brc1cccc2c1OCCc1c-2nc2cccc3c2c1CC3 587209208 JZYPRDTWELMALH-UHFFFAOYSA-N 352.231 4.698 0 1 FJAF Fc1cc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2cc1Cl 587232167 MHCXPFVVEIOOLM-UHFFFAOYSA-N 355.800 4.905 0 1 FJAF COc1ccccc1-c1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587399932 NQXTZOYOYPRORX-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc3c(c1)CCO3)(C(C)C)CC2=O 587484663 HEFWARRPERYNKT-HSZRJFAPSA-N 366.457 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(S[C@@H](C)CC)nc1)CC2=O 587492231 NTXKRMBQNZAFDD-SGTLLEGYSA-N 372.490 4.732 0 1 FJAF COc1nc2ccccc2cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527335 SZLYEIYRTGLEJL-NRFANRHFSA-N 359.425 4.829 0 1 FJAF COc1cc(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587527503 VWWMSWNSDAVALC-HSZRJFAPSA-N 366.457 4.772 0 1 FJAF Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587588160 JVIJFLIDRNHHEI-AUSIDOKSSA-N 371.392 4.885 0 1 FJAF CCOC(=O)c1c(-c2ccc(Cl)cn2)[nH]c2ccc(F)c(Cl)c12 587628865 SHHWNGJQZUTODX-UHFFFAOYSA-N 353.180 4.853 0 1 FJAF CC[C@@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587727688 CBDSIZVHPOOLAI-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF COc1ccc(Cn2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587863053 PEVBFANNQZVVNL-UHFFFAOYSA-N 362.351 4.634 0 1 FJAF c1ccc(-c2ccccc2Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587958398 AGNQWGLKUCSWJS-UHFFFAOYSA-N 356.425 4.982 0 1 FJAF CC/C(=C/c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)c1ccc(C)cc1 587968010 RJPWMCGRKVXCNL-QINSGFPZSA-N 354.475 4.616 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3cnc4ccn(C)c4c3)nc(C)n2)c1 653763882 STRFQKAQAZOUBO-AWEZNQCLSA-N 373.460 4.520 0 1 FJAF CC(C)=CCC/C(C)=C/C(=O)NC(=N)NC(=O)/C=C(\C)CCC=C(C)C 1857751182 ZDQKGEKGLGASGB-HBKJEHTGSA-N 359.514 4.539 0 1 FJAF CC1=CC[C@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)C(=O)CC(C)(C)[C@@H]12 2356469666 WTQJTXGHXWJQCP-FQQGMQMYSA-N 366.457 4.760 0 1 FJAF C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(Cl)cc1Cl 13097075 YBFUUMBZJISEEE-KESLFRHNSA-N 368.304 4.502 0 1 FJAF C=CC(=O)Nc1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)c(O)c1 28564098 FGASLMKBGMKOOQ-UHFFFAOYSA-N 374.396 4.561 0 1 FJAF Cc1nc(-c2ccc3ccc(-c4ccccc4)nc3c2)c2c(N)nccn12 29060247 BRHYDMYLZDUHRQ-UHFFFAOYSA-N 351.413 4.502 0 1 FJAF NCCCCNCCCN1c2ccccc2Sc2ccc(Cl)cc21 34572207 QZUVYCFQTWCVBQ-UHFFFAOYSA-N 361.942 4.661 0 1 FJAF COc1ccccc1-c1c[nH]c2ncc(-c3cccc(NC(C)=O)c3)cc12 44459899 BLZJCDJMIBXBBX-UHFFFAOYSA-N 357.413 4.864 0 1 FJAF C[C@@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl 64512557 CVKCDJDKFLODQU-MRVPVSSYSA-N 357.624 4.632 0 1 FJAF COc1ccc(Oc2c(-c3ccco3)cnn(-c3ccc(C)cc3)c2=O)cc1 66136665 FUAOOJQHTLKDCP-UHFFFAOYSA-N 374.396 4.602 0 1 FJAF Oc1ccc(/C=C2\C(c3ccc(Cl)cc3)=NN=C2C(F)(F)F)cc1 84616538 DIFPGBHWDPCWCQ-NTEUORMPSA-N 350.727 4.850 0 1 FJAF C[C@H]1Nc2nc(ncc2Cl)Nc2cccc(c2)COc2cccc1c2 142436854 OMIMDZMFZXMMGS-GFCCVEGCSA-N 352.825 4.939 0 1 FJAF O=C(O)c1ccc(Nc2nc(-c3ccc(Cl)cc3)nc(C3CC3)n2)cc1 143704554 ZRWFGBVIZLFFQF-UHFFFAOYSA-N 366.808 4.511 0 1 FJAF CC(C)(C)Nc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1 145434827 BQKBRLMFCCUJQA-UHFFFAOYSA-N 374.448 4.763 0 1 FJAF in-vitro CN[C@@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 195522243 FMQPLHSUIOCWGC-ZIAGYGMSSA-N 352.507 4.912 0 1 FJAF COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3F)ccc2O)c1 205727670 QEWDMKQOIPNYCD-UHFFFAOYSA-N 355.340 4.598 0 1 FJAF O=C1CCC2(Oc3cccc4cccc(c34)O2)c2c(Cl)ccc(O)c21 299839596 YWUWMXDEUDNGHC-UHFFFAOYSA-N 352.773 4.800 0 1 FJAF Cc1cc(Cc2nc3cc(F)c(F)c(F)c3[nH]2)ccc1Br 586975933 HEPFVEWFIWSIMC-UHFFFAOYSA-N 355.157 4.642 0 1 FJAF Clc1cc(Cl)c2[nH]c([C@H]3CS[C@H](Cc4ccccc4)N3)nc2c1 587041682 ORTVXAHZRJDEDM-HUUCEWRRSA-N 364.301 4.816 0 1 FJAF COc1ccc(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)c(C)n1 587106913 OUHMQVBLCIOELX-UHFFFAOYSA-N 366.420 4.749 0 1 FJAF Cc1cc(Br)cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 587113217 UDPLVGHYAMAUBB-UHFFFAOYSA-N 358.161 4.658 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(C)nccc3[nH]2)c1 587195644 KOKDRQQGGCXOCH-UHFFFAOYSA-N 352.438 4.613 0 1 FJAF c1coc(CNCc2ccc(-c3nc4c(ccc5ncccc54)[nH]3)cc2)c1 587232196 NQCYRBVJWFYQRV-UHFFFAOYSA-N 354.413 4.661 0 1 FJAF CSc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587235743 QMYKAZGOUAGAHN-ZIAGYGMSSA-N 361.511 4.836 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccccc4)ccc1O)[C@@H](C2)C3=O 587450609 NFSYOUHBHYDNAG-FDDCHVKYSA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(C)C)n3ccccc13)CC2=O 587486841 MLHZBTFFMWDFPP-LJQANCHMSA-N 364.445 4.822 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccoc12 587614308 BZZZKTJRGFTVRZ-AVRDEDQJSA-N 358.349 4.841 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)Cl)c(-c3ccc(F)cc3)[nH]c12 587638373 KHNLKVRLWQMPGM-UHFFFAOYSA-N 367.710 4.687 0 1 FJAF CC(C)OC1CCC2(CC1)N[C@H](C)Cc1ccc(F)c(Br)c12 587812503 QYTZGUNKQMYYHG-LVIIFESRSA-N 370.306 4.685 0 1 FJAF COc1ccc([C@H](C)C(=O)c2ccc3c(c2OC)C=CC(C)(C)O3)cc1 1857577383 SLTOQPXDQWPUSH-AWEZNQCLSA-N 352.430 4.874 0 1 FJAF CC1(C)CC2=C([C](NCc3ccc(Cl)cc3)c3ccccc3N2)[C@@H](O)C1 2356842461 DCTCBJRTGMIECO-IBGZPJMESA-N 367.900 4.870 0 1 FJAF O=C1c2ccccc2N2C=Cc3c([nH]c4cc(Br)ccc34)[C@H]12 2356865277 WKJJJDRTDOCTBM-QGZVFWFLSA-N 351.203 4.659 0 1 FJAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61903616 RGHOYXPOTSSSIL-GOSISDBHSA-N 354.381 4.718 0 3 FJAF C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)C1CCCCC1 61905236 RXEDUEZWTUTGOE-GOSISDBHSA-N 369.292 4.503 0 3 FJAF CCN(CC)CCCOc1ccc(-c2ccc(C(=O)NC(C)C)cc2)cc1 13488952 WQNKBCTUGFORBA-UHFFFAOYSA-N 368.521 4.603 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(Cl)c1 21310859 ACPJVYONOCOGEX-JTQLQIEISA-N 358.652 4.731 0 1 FJAF Cc1cc(C)c(Nc2nc(C)nc(N(C)CCc3ccccc3)n2)c(C)c1 26397890 YJXAVYAIPCMZGR-UHFFFAOYSA-N 361.493 4.528 0 1 FJAF Cc1cc2c(c(C)c1Oc1ccc(O)c(C(C)C)c1)C[C@@H](CC(=O)O)O2 28948141 DYCBQLSLNKIBEX-HNNXBMFYSA-N 356.418 4.703 0 1 FJAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(=O)O)cc2)cc1 38149583 WMBHNJXBHHHZFG-UHFFFAOYSA-N 374.440 4.997 0 1 FJAF COc1ccc(-c2csc3c2-n2cc(-c4cccnc4)cc2C3=O)cc1O 45366462 YULZIRJESHRBTK-UHFFFAOYSA-N 374.421 4.526 0 1 FJAF CCCCCNC(=O)[C@H](CC(C)C)Nc1nc(-c2ccccc2)cs1 82197868 UIXMMXFRCCWUKS-KRWDZBQOSA-N 359.539 4.943 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)cc1 100101854 UWGQIJHOWKACLO-LNWKWYTESA-N 372.487 4.741 0 1 FJAF CC(C)c1cc(SCc2ccc(C(=O)O)cc2)nc(-c2ccccn2)n1 103418340 OYASBGHDLQVSGV-UHFFFAOYSA-N 365.458 4.653 0 1 FJAF Oc1cccc([C@H](Cc2ccccc2)N2CCN(C3CCCCC3)CC2)c1 169317912 LGLGIHXESONYFR-DEOSSOPVSA-N 364.533 4.626 0 1 FJAF CC(C)(C)[C@@]1(O)CCN2C[C@H]3Cc4ccccc4Cc4cccc(c43)[C@H]2C1 169337510 DAVHTUSZZYGLKT-QFZWGZQFSA-N 361.529 4.845 0 1 FJAF Cc1ccccc1-c1c2c(nn1C)CCc1cnc(Nc3ccccc3)nc1-2 169702187 RLAQRPAHENKPOY-UHFFFAOYSA-N 367.456 4.695 0 1 FJAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 204750766 SOXOMWQCZJSTNP-GUYCJALGSA-N 350.397 4.779 0 1 FJAF O=C(O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587015773 KLDRDQIDPJYQGO-UHFFFAOYSA-N 355.806 4.705 0 1 FJAF FC(F)(F)Oc1ccc2c(-c3nc4c(cnc5ccccc54)[nH]3)n[nH]c2c1 587126412 ALHDICTZSTVHQE-UHFFFAOYSA-N 369.306 4.553 0 1 FJAF CSc1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2c1 587133625 WSWLAMLXIKKTKQ-UHFFFAOYSA-N 355.221 4.962 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587234090 WWINSEOVUSVRLZ-CMPLNLGQSA-N 369.387 4.743 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(OCc3ccccc3)c(C)c1)O2 587393755 LJBFBMQKZNBLGX-OAQYLSRUSA-N 374.440 4.566 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C1/CCCO1)(c1ccccc1)CC2=O 587483239 FBEPYUVQZFEBRT-OKRNDORHSA-N 364.441 4.900 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccncc2c1 587585152 CDLZDJOPNBDCFB-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cnccc2c1 587587307 NMWXHOQYVDPZKL-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF CCCc1c(-c2cccnc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623839 ROLPNJKKILURIO-UHFFFAOYSA-N 355.239 4.821 0 1 FJAF CCNc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756253 QKVHIKDKUIZLPS-ZMZPIMSZSA-N 363.274 4.644 0 1 FJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800345 FTIJJDSVHWSRBL-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]3CC[C@@H]2C3)N1 587819740 MWEOBJNUZVJZFV-HWGYDIEMSA-N 352.291 4.774 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3occc3c2)N1 587833149 MBJOBAVPHVYPNC-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF O=C1CCc2cc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3cc2N1 587949207 BDCIVFQQSLBIOA-UHFFFAOYSA-N 369.424 4.831 0 1 FJAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(OC5CCC5)cc4)nc3c2)cc1N 587950729 FNITZDZONIZCRX-UHFFFAOYSA-N 370.456 4.993 0 1 FJAF CCC(C)(C)[C@]1(c2cccc(C)c2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963036369 XJUSWYBTKOISMY-MZNJEOGPSA-N 362.517 4.728 0 1 FJAF COc1cc(C)cc(OC)c1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963103800 GPHBAYAGSXYTRX-SFHVURJKSA-N 352.261 4.554 0 1 FJAF Cc1ccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)cc1F 1857605454 RNAQXUPXQCOFJP-UHFFFAOYSA-N 369.827 4.992 0 1 FJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1Cc2ccccc2O[C@H]1O 2356307272 QSMNOZMIWMHZFD-XTQVGHSUSA-N 371.521 4.534 0 1 FJAF CCCCCc1cc2c(c3c1[C@H](C)O[C@H](C)O3)[C@@H]1CCC(=O)N1[C@H](C)O2 2356322568 PIOPAXQEDVOKMS-YXWQFLTLSA-N 359.466 4.637 0 1 FJAF O[C@@H](c1ccc(Cl)c(F)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61926311 OCPQRRMCNFRXLY-HNNXBMFYSA-N 370.733 4.970 0 3 FJAF CCCCNC(=O)Nc1nc(C)c(C(=O)Nc2c(C)cc(C)cc2C)s1 13587431 ANOOKLPIDKBMTR-UHFFFAOYSA-N 374.510 4.551 0 1 FJAF COc1ccc(-c2c[nH]c3c2-n2cccc2C3=O)cc1OCc1ccccc1 40979745 RCPLEBSNCLLVCP-UHFFFAOYSA-N 370.408 4.604 0 1 FJAF Nc1ncc(-c2cc(-c3ccccc3Cl)nc(-c3ccccn3)n2)s1 64539496 OVAQICUQLITTBB-UHFFFAOYSA-N 365.849 4.565 0 1 FJAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2cc(C)on2)c1 218300052 CVJBNMGKOIKUKR-FQEVSTJZSA-N 361.401 4.509 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 299812469 YWKNRYHANZDVCM-FQOCKNPQSA-N 350.506 4.815 0 1 FJAF Cc1ccc2ccccc2c1-c1nc2c(F)cnc(Br)c2[nH]1 586882829 BTVMVKLBUYILSD-UHFFFAOYSA-N 356.198 4.988 0 1 FJAF O[C@H]1CC[C@@H](c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 586899552 PUZKSIRSGMXNJK-OTSSQURYSA-N 352.278 4.619 0 1 FJAF Clc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995797 PHBMEGKXJAIIFQ-UHFFFAOYSA-N 350.647 4.633 0 1 FJAF CCCn1cnc2cc(-c3nc4ccccc4[nH]3)cc(Br)c21 587003677 LQLCNKPRQGJXHZ-UHFFFAOYSA-N 355.239 4.752 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587041373 NBLPUDWBBRSURB-OALUTQOASA-N 351.519 4.807 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccccc3-n3ccnn3)nc3cccc1c23 587104391 GRDFZFLACGFPRD-UHFFFAOYSA-N 374.403 4.694 0 1 FJAF C[C@@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 587157876 UZVUPOPNZKCURN-KRWDZBQOSA-N 363.314 4.512 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@@H](c1ccccc1)c1ccc(F)cc1)[C@@H](C2)C3=O 587428480 NGVGHYIYIJUDBI-PTLVVNQVSA-N 374.411 4.782 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(F)ccc3s1)CC2=O 587471152 JEGKZDHRARFMSN-INIZCTEOSA-N 357.406 4.800 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3cc(F)ccc13)CC2=O 587471687 MGGNAJGOCWRDIN-NRFANRHFSA-N 353.393 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccn3)s1)CC2=O 587493819 GTWMQWVGYYRZFF-KRWDZBQOSA-N 366.442 4.570 0 1 FJAF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(F)c(Cl)c12 587628559 OCRKTOMJBPMJHU-UHFFFAOYSA-N 352.192 4.996 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2F)N1 587725163 BRPBABCXJWGEOF-HUTHGQBESA-N 370.212 4.664 0 1 FJAF CSc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841525 BKGSIITXCFADBI-BMLIUANNSA-N 366.299 4.934 0 1 FJAF C(=C\c1cccc2ccccc12)\c1nc2ccc(CN3CCOCC3)cc2[nH]1 587966750 CVNXXHDQJRCMEV-LUAWRHEFSA-N 369.468 4.719 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1c[nH]c3ccc(Cl)cc13)N(C)[C@H](C)C2 962616743 BMXDISXZTNPVNV-GTJPDFRWSA-N 370.880 4.804 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)=O)c1ccccc1OC 963235444 WMMYCCDYNWVRSV-SBUREZEXSA-N 351.490 4.575 0 1 FJAF CC(C)c1nnsc1C[S@](=O)C(c1ccccc1)c1ccccc1 1772613268 OVBMSRHWMYFNGO-DEOSSOPVSA-N 356.516 4.700 0 1 FJAF CC[C@@H]1CCCCN1C(=O)n1ncc(-c2ccc(-c3ccccc3)cc2)n1 1772616394 BZQAMWCNBVODHQ-HXUWFJFHSA-N 360.461 4.845 0 1 FJAF OCCN1CCC(c2cn(-c3ccc(F)cc3)c3ccc(Cl)cc23)CC1 13452446 ANOQQUDEPUAIRE-UHFFFAOYSA-N 372.871 4.595 0 1 FJAF CCCCNC(=O)Cc1nc(-c2ccc(F)cc2)oc1-c1ccsc1 27075966 WLBYMUXCVBRLCH-UHFFFAOYSA-N 358.438 4.668 0 1 FJAF Oc1ccc(C2=NCc3cncnc3-c3ccc(Cl)cc32)c(Cl)c1 29393034 YUJZUQCHSBXHES-UHFFFAOYSA-N 356.212 4.507 0 1 FJAF CC[C@H](C1CC1)n1cc(Cl)nc(Nc2cc(C)c(OC)cc2C)c1=O 43020952 PXQVFCROVZXJAD-OAHLLOKOSA-N 361.873 4.627 0 1 FJAF COc1ccc(Cn2c([C@H]3CCCN(C(C)C)C3)nc3ccccc32)cc1 49072938 BUNJVHAEMQLYJI-IBGZPJMESA-N 363.505 4.681 0 1 FJAF O[C@H](c1ccccc1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078512 RCVKSAHSJOBOGB-CYBMUJFWSA-N 369.343 4.521 0 1 FJAF CC(C)Oc1cccc(/N=c2/cc3c(c[nH]2)cc(-c2cccnc2)n3C)c1 82079015 DQPUPSMPNVWFJC-UHFFFAOYSA-N 358.445 4.588 0 1 FJAF NCCc1ccccc1NC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 84619348 VJFVCXVYJNCNIW-UHFFFAOYSA-N 357.763 4.504 0 1 FJAF Cc1ccccc1C(=O)N1N=C(C(C)(C)C)C[C@@H]1c1ccc2c(c1)OCO2 95556817 KQSULFCMGVIMAQ-QGZVFWFLSA-N 364.445 4.713 0 1 FJAF NCCOc1cccc2[nH]c(C(=O)c3ccc(Oc4ccccc4)cc3)cc12 95563959 FRSGCUFFGTZCDG-UHFFFAOYSA-N 372.424 4.529 0 1 FJAF Clc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1 141111608 HARSUWWKHSWWFG-UHFFFAOYSA-N 352.869 4.886 0 1 FJAF O=C1NC[C@@H](c2ccc(-c3ccccc3)c(F)c2)N1c1ccc2nc[nH]c2c1 198379081 PEOVDLCMKHZGFJ-NRFANRHFSA-N 372.403 4.640 0 1 FJAF CC(C)Cc1nnc(-c2ccc3[nH]cc(-c4nccc(C5CC5)n4)c3c2)o1 204772836 GWPJORJJIDSOOC-UHFFFAOYSA-N 359.433 4.751 0 1 FJAF Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)CC1 299810667 SYNAAQKVKRSFKL-IZAXUBKRSA-N 362.508 4.941 0 1 FJAF O=[S@@](c1ccc(F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 299832007 JOHSRMVJHDHTDQ-SANMLTNESA-N 363.413 4.913 0 1 FJAF FC(F)(F)Oc1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Cl 586917346 CBZREWHHEJCXKA-AWEZNQCLSA-N 370.714 4.627 0 1 FJAF Cc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1C 586997953 FKAFEUGLHPDYST-GQCTYLIASA-N 371.234 4.841 0 1 FJAF CC(C)Oc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587001918 ARURGKDTKQMVEK-UHFFFAOYSA-N 371.238 4.656 0 1 FJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1Cl 587065658 WKALKLZQHJMLMA-UHFFFAOYSA-N 365.142 4.677 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(N)cc1F 587136003 JPOFFHWXWFRRDW-UHFFFAOYSA-N 369.227 4.830 0 1 FJAF N[C@H](N=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144843 CWGPUOAFHIVHSS-OAQYLSRUSA-N 360.392 4.684 0 1 FJAF O=C(O)c1cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2cc1F 587164775 WTTAQZAPPZBZCU-UHFFFAOYSA-N 356.353 4.935 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 587170094 IDQNWYWVKOBBDS-SECBINFHSA-N 366.259 4.755 0 1 FJAF Cc1ccc(C)c2[nH]c(/C=C\c3cccc(I)c3)nc12 587185198 ZDWGUGUKZPPMPT-HJWRWDBZSA-N 374.225 4.955 0 1 FJAF Cc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587192634 XLPRPLOJNBBHNB-SFHVURJKSA-N 351.450 4.828 0 1 FJAF Cc1ccc(C)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc12 587219142 MPVUVGPSGXVNAV-OAQYLSRUSA-N 355.441 4.699 0 1 FJAF Nc1ccc(/C=C\c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587251650 LAEWGLUNRSWKAR-UTCJRWHESA-N 353.731 4.868 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1Br)O2 587378569 VRTJJVPYDNJXCS-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4ccc(Cl)cc14)[C@@H](C2)C3=O 587421310 LUWMLGMVZCVRTC-VBKZILBWSA-N 353.805 4.627 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(SCC(C)C)cc1)[C@@H](C2)C3=O 587453547 TXKSTXRHMSYMJG-UWJYYQICSA-N 354.471 4.932 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)cs1)CC2=O 587492782 CRGQAUPYVCXELS-AWEZNQCLSA-N 367.264 4.875 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1O 587497676 KKMPAWDPNXYJMN-KRWDZBQOSA-N 358.821 4.640 0 1 FJAF CCOc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501411 BMKPWRCTVKXCDW-QFIPXVFZSA-N 354.421 4.984 0 1 FJAF COc1ccc2c(c1F)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587509415 RNXQTUQVRWYWBE-JOCHJYFZSA-N 352.405 4.520 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587519170 WAQYRBFKZDRUKP-DNVKUUNQSA-N 373.496 4.564 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(F)cc1F 587558422 RYQNTIWKHFGXDE-YLJYHZDGSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccccc12 587589312 NZPDEGSUTYYHDP-SIKLNZKXSA-N 357.365 4.576 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2CC2(Cl)Cl)N1 587691485 GAXSCCAIBWEGGX-KEMBBXRSSA-N 367.089 4.531 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2C2CC2)N1 587852364 FWNAYTJNYFQLNL-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscc2Cl)N1 587852434 GQSDYWVXDBAUMK-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(Cl)c1C 587866528 FTAGMTGDKYYKIO-UHFFFAOYSA-N 367.758 4.924 0 1 FJAF Cc1cccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1C 587873846 OEPGOYXUTOSTKD-ZDUSSCGKSA-N 352.365 4.519 0 1 FJAF COc1cc2c(cc1OC)[C@](C)([C@@]13C[C@@H]4C[C@H]1C[C@@H](C4)C3)N(C)[C@@H](C)C2 962565736 INPGWVVWFYDRLJ-CMENNSNISA-N 355.522 4.622 0 1 FJAF CN(C)c1ccc(CCC[C@@H]2C(=O)Nc3ccc(C(F)(F)F)cc32)cc1 1772656449 BJSZCSUWIMZZNB-INIZCTEOSA-N 362.395 4.830 0 1 FJAF O=C(Nc1ccccc1Sc1ncc([N+](=O)[O-])s1)c1cccs1 6473984 UBPMVDGXHIWPGS-UHFFFAOYSA-N 363.445 4.516 0 1 FJAF C[C@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27560638 HCSCBGKMVNYQNJ-JQHSSLGASA-N 371.546 4.897 0 1 FJAF COc1cc(-c2ccccc2Cl)ccc1NC(=O)C1=C(C(=O)O)CCC1 27657086 NKYBUARCYZRXHG-UHFFFAOYSA-N 371.820 4.519 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28528780 YWKNRYHANZDVCM-FKEBYFGASA-N 350.506 4.815 0 1 FJAF Clc1ccc(CN(CC/C=C/c2ccccc2)n2cncn2)c(Cl)c1 40917898 UOVONACJLHZOCD-XBXARRHUSA-N 373.287 4.827 0 1 FJAF Cc1c(OCCCN2CCCC2)ccc2c(=O)cc(-c3ccccc3)oc12 96271275 PHWLRVAQNSVPJY-UHFFFAOYSA-N 363.457 4.633 0 1 FJAF COc1ccc(-c2ccnc(NC3CCC3)n2)cc1OCc1ccccc1 96937580 CPSYJEZLPRYCSY-UHFFFAOYSA-N 361.445 4.696 0 1 FJAF CC1=C(c2ccccc2O)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103198989 XHJFMKZNRGRQNQ-UHFFFAOYSA-N 364.470 4.553 0 1 FJAF OC[C@H]1CC[C@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 144260624 NJDTZXUHOKCZAJ-IRXDYDNUSA-N 361.445 4.889 0 1 FJAF Fc1cc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2cc1Br 586886506 QCNYGYYMPBGZRX-KZULUSFZSA-N 357.226 4.836 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4nc(Br)ccc4[nH]3)cc2)o1 586903295 NVJPRMXCYWAARP-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 586915974 JJKAUGVAHMMXNL-SBUREZEXSA-N 371.440 4.636 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccnc4[nH]ccc34)nc3ccc(O)c1c23 586989192 ATIWPJVJOKWNEL-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF COc1cccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586992160 PGTFHYXILQAZQK-UHFFFAOYSA-N 367.404 4.751 0 1 FJAF CN(C)C(=O)c1ccc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2c1 587053983 JYDRQJIPOTUJTB-CLFYSBASSA-N 360.244 4.742 0 1 FJAF C[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)C=C(c2ccccc2F)NO1 587158384 WYJPQHPJEZKLTP-QGZVFWFLSA-N 364.207 4.800 0 1 FJAF Fc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182048 CMZFKSNUXUYLFL-UHFFFAOYSA-N 372.568 4.627 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3cccc(Cl)c3)no1)O2 587379818 XBFRGFUELORZQW-QGZVFWFLSA-N 354.793 4.592 0 1 FJAF CCCN(CCC)c1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430267 SVJIRFCLWKHZTH-XXBNENTESA-N 365.473 4.810 0 1 FJAF O=C1C[C@H](c2cccc(Cn3cccn3)c2)Oc2c1ccc1c2CCCC1 587516241 AZOXXKLFCDIRRA-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF C[C@]1(c2cccc3[nH]ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589027 MQCGUNOMYLMHAF-NZQKXSOJSA-N 371.392 4.751 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2O)N1 587832931 LHHVRXUZQNDDDU-AGGFGQPTSA-N 362.242 4.583 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccccc1C 587862635 SSQQRKGVLQVWBF-UHFFFAOYSA-N 360.335 4.574 0 1 FJAF C[C@H](Cc1nc(-c2ccc(F)cc2)cs1)n1ccc(C(F)(F)F)n1 587922230 LOPSETLAAVTTRV-SNVBAGLBSA-N 355.360 4.968 0 1 FJAF CCCc1cc(O)cc(OC)c1Oc1cc(O)cc(CCC)c1C(=O)O 2356723038 XHIOULPFUBIBHT-UHFFFAOYSA-N 360.406 4.502 0 1 FJAF C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)C1CCCCC1 61905237 RXEDUEZWTUTGOE-SFHVURJKSA-N 369.292 4.503 0 3 FJAF COc1ccc(OC(=O)[C@](F)(Cc2ccccc2)c2ccccc2)cc1 230514028 QMQZNRWNQRXQBW-QFIPXVFZSA-N 350.389 4.708 0 3 FJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(Cl)c3)CCC2)cc1 13744268 FZTFVTPDNMGBRL-UHFFFAOYSA-N 350.842 4.977 0 1 FJAF CCOc1c(C(=O)OC)oc2c3cc(OC)ccc3n(-c3ccccc3)c12 29393226 SKQDAKUPRAMWKY-UHFFFAOYSA-N 365.385 4.571 0 1 FJAF CC1(C)C(C(=O)c2cn(C(=O)CC3CCOCC3)c3ccccc23)C1(C)C 38249092 AQPCQPVLFFQSHP-UHFFFAOYSA-N 367.489 4.963 0 1 FJAF c1cncc(-c2ccccc2CN2CCC3(CC2)OCc2ccccc23)c1 40380722 QACCJIIUHKLTNI-UHFFFAOYSA-N 356.469 4.770 0 1 FJAF Cc1nc(-c2cnc(N[C@@H]3CCCC[C@H]3C)nc2-c2ccco2)oc1C 82165407 DQNWAQPUXAHPGM-MLGOLLRUSA-N 352.438 4.999 0 1 FJAF CCCCNC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82224560 WZIXIRCMGQWLSX-UHFFFAOYSA-N 366.509 4.666 0 1 FJAF CCc1cccc(CC)c1NC(=O)[C@H](CC)Sc1nc2cc[nH]cc-2n1 102300593 WKLJKSYACVPCBY-KRWDZBQOSA-N 368.506 4.544 0 1 FJAF COc1cc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc(OC)c1O 104005074 QQTXYAGTRJCVDN-FQEVSTJZSA-N 366.417 4.645 0 1 FJAF CCS(=O)(=O)N(Cc1ccc(F)c(F)c1)c1cc2ccccc2s1 115231989 AKVVODQJIOHPJC-UHFFFAOYSA-N 367.442 4.536 0 1 FJAF CC(C)CCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166727041 OSQDTLQBPAYFSZ-UHFFFAOYSA-N 351.450 4.609 0 1 FJAF CCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@H](O)c2ccccc21 169346095 MEHYSALUHLCLAH-HSZRJFAPSA-N 371.480 4.558 0 1 FJAF COc1ccc([C@@H]2CC(=O)[C@@H]3Sc4cc(F)ccc4N=C3C2)cc1OC 169715438 LFGRCLMOFIJXRX-FKIZINRSSA-N 371.433 4.536 0 1 FJAF COC(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1OC 587026975 LJUIDZMCZREPHF-UHFFFAOYSA-N 364.426 4.754 0 1 FJAF COc1ccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc2c1 587063805 YBNHEWKAVWBPHG-UHFFFAOYSA-N 369.808 4.767 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)c(F)ccc3[nH]2)n1 587081233 YFHDHRILGHPZBB-SSDOTTSWSA-N 371.641 4.952 0 1 FJAF CC/C=C\CCOC(=O)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106560 LLFZIUPFQZPMHT-ARJAWSKDSA-N 357.409 4.959 0 1 FJAF CC(C)(C)OC(=O)N1CCC2(CCc3c2nc2cccc4c2c3CC4)CC1 587211872 IUOLYGKGYJQFPB-UHFFFAOYSA-N 364.489 4.548 0 1 FJAF FC(F)(F)c1cnc2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1 587230678 WZGRYWGEZTZVGO-UHFFFAOYSA-N 369.350 4.651 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccccc32)[C@@H]1c1ccc(F)cc1 587351559 KENVQGKMDJTVDZ-FYYLOGMGSA-N 360.384 4.732 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccco1)(c1c[nH]c3ccccc13)O2 587395395 CCPDYXSUQDZYTP-QFIPXVFZSA-N 358.397 4.561 0 1 FJAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455929 RAGPZELKLDIERO-LBUQITIBSA-N 358.478 4.577 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(C)n1-c1ccccc1)CC2=O 587470510 KOJLRTABIWTKGT-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N)cc1)(C(C)(C)C)CC2=O 587473108 QBGMFXNKEACRLP-QFIPXVFZSA-N 353.462 4.834 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@@H]1C[C@H]2CC[C@H]1C2 587604388 WFEFHKOFRCTHNW-GGTBVAQXSA-N 364.441 4.939 0 1 FJAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1C(=O)C(F)(F)C(F)(F)F 587637571 KRNRFBASEVZERT-UHFFFAOYSA-N 363.282 4.544 0 1 FJAF COc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1OC 587925688 GQNBFWDUJPIXKV-UHFFFAOYSA-N 360.413 4.963 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC[C@@H](C(=O)OC)c1ccccc12 963243512 SPJDOFQTOCBRJC-WSCWJOSJSA-N 363.501 4.637 0 1 FJAF Oc1ccc2c(c1)[C@@](c1ccc(F)cc1)(c1cc(Cl)cs1)NCC2 963353282 PZQWLEHMYWADRV-IBGZPJMESA-N 359.853 4.684 0 1 FJAF Clc1ccc([C@]2(c3ccncc3)NCCc3cc(Cl)ccc32)cc1 963378489 FYSHAOPRNRIYLG-HXUWFJFHSA-N 355.268 4.826 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@@]2(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 963733702 YBARJIOGEZXHNQ-ZHRRBRCNSA-N 368.521 4.865 0 1 FJAF Fc1ccc(Cn2c(=NCc3ccco3)[nH]c3ccccc32)c(Cl)c1 1857620010 VQKYBMCPIGAVLE-UHFFFAOYSA-N 355.800 4.504 0 1 FJAF C[C@@]12CC3CC(NC(=O)NC4C5CC6CC(C5)CC4C6)(C1)C[C@](C)(C3)C2 1911584637 CUFWQXHPSPUKCM-HDSJHIFHSA-N 356.554 4.859 0 1 FJAF C[C@H](CCOC=O)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)CCC[C@@]12C 2356487668 HVOITCZCMRGWKQ-VZRKHXGSSA-N 350.499 4.829 0 1 FJAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccccc2F)=NO1 12477178 KNUTWQQRJBTIFL-GOSISDBHSA-N 357.772 4.569 0 3 FJAF CSc1ccc(CN2C(=O)[C@H](C)Sc3ccc(C(C)=O)cc32)cc1 61907029 MIBODMDGTRLJFA-ZDUSSCGKSA-N 357.500 4.639 0 3 FJAF CCc1cc(N(C)Cc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887114 FFUGDSDUNSJUTI-UHFFFAOYSA-N 365.260 4.935 0 1 FJAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1 26824982 UMJZDACYLLYXCX-DURFZLONSA-N 360.538 4.880 0 1 FJAF O=C(O)COc1ccc2c(-c3ccc4ccccc4c3)noc2c1Cl 27433503 AXQKZJGNWKSTOS-UHFFFAOYSA-N 353.761 4.765 0 1 FJAF C[C@@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@@H]1C2=O 27560636 HCSCBGKMVNYQNJ-NXHRZFHOSA-N 371.546 4.897 0 1 FJAF CCCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1OC 40401436 ORPSCLJPQPYHNL-UHFFFAOYSA-N 361.825 4.558 0 1 FJAF c1cncc(CCNc2nccn3c(-c4cccc5ccccc45)cnc23)c1 45302378 YKHWJKRTUFNPCH-UHFFFAOYSA-N 365.440 4.599 0 1 FJAF COc1ccc(/C=C2\C(C)=C(CCN3CCOCC3)c3ccccc32)cc1 100903074 RRIVHTQLWXZTQY-JJIBRWJFSA-N 361.485 4.745 0 1 FJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c(C)c1Cl 146529635 WCPPKHNLYHIGTP-YVEFUNNKSA-N 368.824 4.783 0 1 FJAF CC(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@@]21C 238755180 LECAKRZOTZHHCK-AEEUIGNNSA-N 360.494 4.590 0 1 FJAF O=C(Nc1ccc(F)cc1)c1ccc(SCC(=O)c2cccs2)nc1 261147807 OFZUXEZYAQBLOI-UHFFFAOYSA-N 372.446 4.510 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4c(Br)cccc4[nH]3)oc12 586903787 NFVNJNPJOTXDDX-UHFFFAOYSA-N 371.190 4.560 0 1 FJAF Fc1c(Br)ccc2nc(CCc3ccccc3Cl)[nH]c12 587058500 GVUBZRNFQBAPLF-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF Cc1ccc(NC2(c3nc4cc(F)cc(C(=O)O)c4[nH]3)CCCC2)cc1 587237252 OHEPMFSNGRVXGG-UHFFFAOYSA-N 353.397 4.590 0 1 FJAF COCC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344556 DCNBDWXWULVEFF-SIKLNZKXSA-N 372.436 4.712 0 1 FJAF CCCc1ccc(OCC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444283 YYHVBPGTZUPLQI-VGSWGCGISA-N 352.430 4.535 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(C)cc1)[C@@H](C2)C3=O 587445844 OQXPHKPKGMEISH-GBXCKJPGSA-N 356.421 4.695 0 1 FJAF O=C1C[C@H](c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 587505015 RYWROAPAWUEGGF-GOSISDBHSA-N 373.246 4.740 0 1 FJAF C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530481 CIGPYQTYESQCIS-SZNDQCEHSA-N 364.441 4.507 0 1 FJAF C[C@@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547516 LYZYKKGMBZEPMG-RXVVDRJESA-N 366.800 4.923 0 1 FJAF CCCc1csc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613838 QSYRDECLKZSKTN-APWZRJJASA-N 367.426 4.504 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 587926744 OTXNXGYNIWEZAU-CQSZACIVSA-N 354.450 4.714 0 1 FJAF Cc1cc(-c2nc(-c3ccc(Cl)c(F)c3)n3c2CCOCC3)cc(C)n1 1772570143 VDUKIDZFLYVMRP-UHFFFAOYSA-N 371.843 4.594 0 1 FJAF O=C(O)COc1ccc(NCc2cccc(-c3ccccc3F)c2)cc1F 1857570277 BYJIABWRZGZTNI-UHFFFAOYSA-N 369.367 4.707 0 1 FJAF O=C(C12CC3CC(CC(C3)C1)C2)C(F)(F)[C@H](O)c1ccc(Cl)cc1 1857651637 SVFQABDCTYOIGR-CVTKOYADSA-N 354.824 4.794 0 1 FJAF CC(=O)Oc1c(O)c(C(C)C)cc2c1[C@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 2356430642 XXDPOBFOFASYAX-AOMKIAJQSA-N 374.477 4.536 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356572532 DPBCVQQQIVNUMJ-FXEQNPHBSA-N 362.510 4.663 0 1 FJAF CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2F)c1 1006590 MEUWXKRIDLXTOO-UHFFFAOYSA-N 362.832 4.507 0 3 FJAF C[C@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(F)ccc21 61902889 QAJNEHOGSCYCLX-MRXNPFEDSA-N 357.734 4.950 0 3 FJAF O=C1O[C@H](O)C(c2ccc3ccccc3c2)=C1c1ccc2ccccc2c1 28640257 BJPSFVGDBFALRM-QHCPKHFHSA-N 352.389 4.779 0 1 FJAF c1ccc(-c2ccc(CNCCCNc3nc4ccccc4[nH]3)cc2)cc1 45335353 YUAKAYJJFQLOMV-UHFFFAOYSA-N 356.473 4.822 0 1 FJAF Fc1cc2nc([C@H]3COc4ccccc4C3)sc2cc1-c1cn[nH]c1 49033360 SIQXAAIXYNABPH-GFCCVEGCSA-N 351.406 4.544 0 1 FJAF Cc1ccccc1-c1nc(CN2CCN(c3cccc(C)c3C)CC2)co1 72181970 FNIXCTLDYXJFNB-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccsc2)C2=C(O)CCCC2=N1 103539631 YBAVLIBMDXYPPG-SFHVURJKSA-N 356.491 4.569 0 1 FJAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2cccnc2)c1 205172901 FMRYGOIHTMRTMI-NRFANRHFSA-N 357.413 4.608 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C)cc(Br)c3[nH]2)cc1 586885901 DJSXKHDSCXPHHF-SJKOYZFVSA-N 359.267 4.779 0 1 FJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2ccc(Cl)cc2[nH]1 587041814 FUQPWDSKFRPCOO-CQSZACIVSA-N 364.257 4.525 0 1 FJAF FC(F)(F)c1cc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2cn1 587073694 NDTHLSYUVFQMFK-UHFFFAOYSA-N 351.759 4.904 0 1 FJAF CC(C)Oc1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076651 NLYPPMKMKSIEEH-GOSISDBHSA-N 355.825 4.621 0 1 FJAF Clc1ccc(-c2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)nn1 587088015 RRIJDLIGARLSAI-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF Cc1c(Br)ccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587107418 AEJSBSFPQFBUOI-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF Cc1cc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1Cl 587112233 DVZAVHRQRZJWTN-ZDUSSCGKSA-N 353.775 4.786 0 1 FJAF Cc1cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c2cc1Br 587139590 KSLGGQRSDZUKGX-UHFFFAOYSA-N 369.184 4.836 0 1 FJAF Fc1ccc(/C=C/c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1 587149696 QAQDCNXRPKKONS-DUXPYHPUSA-N 353.141 4.913 0 1 FJAF Cc1cccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587190270 JFEMVWNXHCYQCY-SFHVURJKSA-N 351.450 4.828 0 1 FJAF C[C@]1(C(F)(F)C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331901 RCZDUNZCBMSVMF-PBHICJAKSA-N 372.289 4.549 0 1 FJAF CC(C)COCC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347035 KSUNCKLSWBLQOP-UNMCSNQZSA-N 372.436 4.712 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccnc1Sc1ccccc1)O2 587408339 AZPKQQBDEWGNOZ-IBGZPJMESA-N 362.454 4.830 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)c(Cl)s1)O2 587408436 BTTIMXHFCQOQCT-LLVKDONJSA-N 372.671 4.761 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3cccc(Cl)c13)CC2=O 587458671 AIBIGGIVOJLPHZ-MRXNPFEDSA-N 371.820 4.892 0 1 FJAF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccccc1 587514569 GZYKIKPBBBFKON-JOCHJYFZSA-N 358.441 4.672 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2cn1 587588570 TVCQNPVOKODLPW-REWPJTCUSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12C1CCCC2CCC1 587602305 HRQDYIPFPBEXGS-KXJKHLRYSA-N 350.414 4.693 0 1 FJAF CCn1c(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587754460 YYEQGUCPJNLVJD-MLCYQJTMSA-N 365.290 4.650 0 1 FJAF Ic1cccc2nc(CC3CCCCCC3)[nH]c12 587960134 GLWCPRCYMZVUHL-UHFFFAOYSA-N 354.235 4.680 0 1 FJAF O=C(Nc1ccc2sc(-c3ccc(F)cc3F)nc2c1)N1CCCC1 1772625446 QDPPPKHCNSPNIV-UHFFFAOYSA-N 359.401 4.869 0 1 FJAF CC(C)Oc1cccc(-c2cn3c(-c4ccc(N(C)C)cc4)cnc3cn2)c1 1857577006 RINWMHDXELITRH-UHFFFAOYSA-N 372.472 4.917 0 1 FJAF Nc1c(C(=O)NC2CCCCC2)sc2nc(-c3cccs3)ccc12 1857747832 XEMLZOABKVRUCG-UHFFFAOYSA-N 357.504 4.670 0 1 FJAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc4ccncc4c3)oc2c1 1911572407 GDSCUSWZVZZQGW-VWLOTQADSA-N 352.330 4.613 0 1 FJAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@H]2c2ccc(C)cc2)cc1 199730514 YDCGLOREUZVCFY-OAQYLSRUSA-N 361.445 4.600 0 3 FJAF O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(C(F)(F)F)cc12 34803349 VKXYBRPZHFQWGP-UHFFFAOYSA-N 367.710 4.978 0 1 FJAF O=C(C[P@@](=O)(O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 40935266 ZHMFFPJDJZWDNG-UHFFFAOYSA-N 366.353 4.939 0 1 FJAF Fc1ccc(-c2[nH]c3cc(C4CCNCC4)ccc3c2-c2ccncn2)cc1 40952270 PPLHRBRFFFHVTD-UHFFFAOYSA-N 372.447 4.898 0 1 FJAF c1ccc(-c2cccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)c2)cc1 40976787 FMENTFKZKBOLCS-UHFFFAOYSA-N 371.425 4.936 0 1 FJAF O=C(/C=C/c1ccc(F)cc1)Nc1ccc(-c2nc3ccccc3n2O)cc1 45284521 YZMVKINGEILAKD-VGOFMYFVSA-N 373.387 4.732 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c(C3CCC(C)(O)CC3)nnc12 72110009 SKPWYOQUMDMAQT-UHFFFAOYSA-N 371.868 4.892 0 1 FJAF O=C(O)c1cccc2nc(-c3ccc(-c4c(F)cccc4F)cc3)[nH]c12 113982615 AILMAOHWYOLUJF-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF CO[C@H]1c2ccccc2[C@H]2[C@H](c3c(c4ccccc4n3C)[C@@H]2C(=O)O)[C@@H]1C 169355622 SAAHQXFSJMSMGY-PCWJXANBSA-N 361.441 4.565 0 1 FJAF Fc1ccc([C@@H](CC2CNC2)Oc2cccc(OC(F)(F)F)c2)cc1F 299835961 FJRHKFCLJYAKFM-QGZVFWFLSA-N 373.321 4.593 0 1 FJAF Fc1cc2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2cc1Br 586886505 QCNYGYYMPBGZRX-KPZWWZAWSA-N 357.226 4.836 0 1 FJAF COc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1C 587016813 COUXQCIBXROTMP-UHFFFAOYSA-N 363.442 4.605 0 1 FJAF Cc1ccc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2c1C 587019515 MJPRNFQOGZQMND-UHFFFAOYSA-N 368.487 4.541 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(OC(F)(F)F)ccc2[nH]1 587071447 KULZEBUXALATLH-UHFFFAOYSA-N 354.715 4.540 0 1 FJAF FC1(F)Oc2cc3nc(Cn4ccc5ccc(Cl)cc54)[nH]c3cc2O1 587080439 MYMBULHFVTZXPE-UHFFFAOYSA-N 361.735 4.541 0 1 FJAF N[C@H](N=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112997 QSRPQWFXHOIICH-MRXNPFEDSA-N 371.322 4.521 0 1 FJAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587162635 XTSMJEYEYMWRCV-ZJUUUORDSA-N 366.621 4.784 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)cc(F)c1F)CC2=O 587464792 ACQMAEZLDYJQOP-IBGZPJMESA-N 350.336 4.643 0 1 FJAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1 587522715 HIHNIONGROMRLT-FQEVSTJZSA-N 352.430 4.598 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587931085 LWYBPNLVACJNSH-NSHDSACASA-N 350.340 4.816 0 1 FJAF C[C@H](CCC(=O)O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587963525 YUBSQSZEAMMZIL-GFCCVEGCSA-N 365.458 4.883 0 1 FJAF Clc1ccc2c(c1)C[C@]1(CO2)NCCc2cccc(-c3ccccc3)c21 962664101 FSTRICOCFNTOOA-HSZRJFAPSA-N 361.872 4.983 0 1 FJAF Cc1sc2c(c1C)CCN[C@]2(C)c1cccc(Br)c1C 963019384 GVMNFDRJVOMFOK-QGZVFWFLSA-N 350.325 4.845 0 1 FJAF c1cncc(-c2nc(N[C@@H]3CCc4ccccc4C3)c3ccccc3n2)c1 1772584102 NNXTWWKGCDOEQE-LJQANCHMSA-N 352.441 4.661 0 1 FJAF Oc1ccc(-c2ccc(CNCCc3coc4ccc(F)cc34)o2)cc1 1857557170 NLWTWRZMLJHCRI-UHFFFAOYSA-N 351.377 4.870 0 1 FJAF Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1cccc(F)c1 1330015 GERZSJVRNPLPAA-UHFFFAOYSA-N 354.406 4.700 0 3 FJAF CC(C)(C)c1cc(-c2nc3ccc(C(=N)N)cc3[nH]2)c(O)c(C(C)(C)C)c1 1490698 OIRUIZLCTOBIQB-UHFFFAOYSA-N 364.493 4.815 0 1 FJAF N=C(N)c1ccc2cc(C(=O)Nc3cccc(OC4CCCC4)c3)ccc2c1 2047484 FWTQOPWAMQXIMI-UHFFFAOYSA-N 373.456 4.698 0 1 FJAF in-vivo Cc1cc(C)c(C(=O)N[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1C 13684690 RIHQERSJRHVRIQ-HXUWFJFHSA-N 358.913 4.688 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@@H](C)C(=O)Nc1nccs1)CC2 25203663 PQVPKGFOQMPDCF-ZBFHGGJFSA-N 372.534 4.928 0 1 FJAF biogenic C[C@@H](c1ccccc1)n1c2c(c3c(N)nc(-c4ccncc4)nc31)CCCC2 27523414 ZOMBMFYGFTUVHK-HNNXBMFYSA-N 369.472 4.564 0 1 FJAF CCc1ccc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1 35876806 OZMWKZVYFVERDW-UHFFFAOYSA-N 364.397 4.950 0 1 FJAF CC(C)=CC1(N2CCC3(CC2)C(=O)NC[C@@H]3c2ccccc2)CCCCC1 38147588 YGUWHZGNNDRWKA-OAQYLSRUSA-N 366.549 4.651 0 1 FJAF C[C@@H](C(=O)C(C)(C)C(=O)N1CCCC1)c1cccc(Oc2ccccc2)c1 39096051 XHDGNGSDEWMQJJ-QGZVFWFLSA-N 365.473 4.800 0 1 FJAF Clc1ccc(OCCOc2cccnc2Br)c(Cl)c1 82158353 SYWYYWJFZNNLPS-UHFFFAOYSA-N 363.038 4.609 0 1 FJAF Cc1cccc(-c2nc(N3CCCC3)ncc2-c2nc(C)c(C)s2)c1 82219899 VQZQWPXHAQYCAH-UHFFFAOYSA-N 350.491 4.793 0 1 FJAF CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84688663 QNJDDBRAMOMRCD-ZDUSSCGKSA-N 353.853 4.821 0 1 FJAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@@](C)(CO2)[C@@H]1C/C=C/CCCC(=O)O 101162579 VEKDZUVNPMZDCF-MGJXEZBISA-N 364.526 4.726 0 1 FJAF CC(=O)OC[C@@H]1CC[C@@H]([C@@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(O)c21 144363785 WWSLEIZYHDWGFE-ZVZYQTTQSA-N 374.477 4.997 0 1 FJAF CCc1noc(-c2cc3c(OC)c4cccc(OC)c4c(OC)c3s2)n1 299834766 UENNZJDQNMQQGU-UHFFFAOYSA-N 370.430 4.693 0 1 FJAF CC(C)(C)c1cccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c12 586967041 PQXNPAHVMNOPOH-UHFFFAOYSA-N 365.462 4.598 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)s1 587013780 CEDIKVRZXNGOCF-ZETCQYMHSA-N 357.266 4.794 0 1 FJAF COc1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cc1OC 587060541 HWNYCODHQJJFMR-UHFFFAOYSA-N 355.781 4.556 0 1 FJAF CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587105875 GJNJQNBQRYRQGY-UONOGXRCSA-N 371.436 4.675 0 1 FJAF COc1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)ccc1O 587107104 ODXDYLKCUSHSKW-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587150434 PQOYQSYQCSCQGJ-SFHVURJKSA-N 352.800 4.952 0 1 FJAF COC(=O)C1=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587362575 KDLLLGMBHLCSOS-UHFFFAOYSA-N 371.392 4.769 0 1 FJAF CCc1sc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587411916 WOKOHJZCHHEANL-ZDUSSCGKSA-N 366.280 4.670 0 1 FJAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587443486 AMRKYQVIVPCUQK-SQJMNOBHSA-N 370.448 4.971 0 1 FJAF C[C@]1(c2cnc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499889 NUXKNESSXBXZFQ-GOSISDBHSA-N 363.244 4.543 0 1 FJAF COc1cc(C)cc2c1OCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535163 JCFPZWWZUZJYQL-HSZRJFAPSA-N 364.441 4.526 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Cl 587547702 NCYZZZQWUQTAQY-PXNSSMCTSA-N 352.773 4.749 0 1 FJAF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)c1 587633994 SGDMDKWGTMHXNK-UHFFFAOYSA-N 367.298 4.574 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(F)cc2)N1 587737091 WDUNCEDTLBGUNR-MEBBXXQBSA-N 352.222 4.545 0 1 FJAF CSc1ccccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844627 LSLQMUSPFSBFTK-QGHHPUGFSA-N 366.299 4.934 0 1 FJAF CCCC[C@@H](CC)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868278 YMJPEPAWSMCROE-GFCCVEGCSA-N 369.387 4.829 0 1 FJAF COC(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1OC 587962789 YZFXFMHSLQHYEA-UHFFFAOYSA-N 372.424 4.616 0 1 FJAF CC(C)c1nn(C)c2c1[C@@]1(CC=C(c3ccc(Cl)cc3)CC1)NCC2 962923325 YTVQODVWJXSNHE-NRFANRHFSA-N 355.913 4.805 0 1 FJAF Cc1cc(-c2ccc3ncc4nnn(Cc5ccc(F)cc5)c4c3c2)ccn1 1772579417 SBZWDKFEGYDKIU-UHFFFAOYSA-N 369.403 4.537 0 1 FJAF COc1cc2[nH]c(-c3ccc(N4CCCCC4)cc3)c(C)c(=O)c2cc1F 1772632138 PVUYEIRRFFZBCX-UHFFFAOYSA-N 366.436 4.642 0 1 FJAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 61902991 NGCCIZUNSDEWRY-QGZVFWFLSA-N 351.805 4.998 0 3 FJAF CC(C)(C)c1cc(Cc2ccc(S(C)(=O)=O)cc2)c(O)c(C(C)(C)C)c1 1618963 GFKMGQYGOLGWQV-UHFFFAOYSA-N 374.546 4.982 0 1 FJAF CC(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@]23COC(=O)C2=CCC[C@H]13)c1ccoc1 1626254 DZAYTXGDCMMRGZ-HRLOXLBDSA-N 372.461 4.590 0 1 FJAF endogenous,in-man CCCCn1nc2c3ccccc3n(Cc3cccc(Cl)c3)cc-2c1=O 26642951 LGZVKYXBMJKHSM-UHFFFAOYSA-N 365.864 4.805 0 1 FJAF O=C(O)c1cccc2nc(/C=C/c3ccc(Br)cc3)ccc12 28957927 XJQKCYDXNNGEHB-RMKNXTFCSA-N 354.203 4.866 0 1 FJAF CCO[C@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 38464336 PHBHQFDEPQQVCZ-QGZVFWFLSA-N 368.351 4.837 0 1 FJAF O=C(CCCN1C[C@H]2C[C@@H]1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 40861640 ZBMQPMVISGXIDJ-VFNWGFHPSA-N 372.871 4.610 0 1 FJAF CC(C)NC(=N)c1ccc(-c2cc3ccc(C(=N)NC(C)C)cc3o2)cc1 40979436 AAIPJLQNAACFRF-UHFFFAOYSA-N 362.477 4.747 0 1 FJAF O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)c1c[nH]c2ccccc12 45255341 HWNXREIXJWGTSR-UHFFFAOYSA-N 356.381 4.782 0 1 FJAF Fc1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(F)cc3)C2)cc1 45357514 NZVBGJYITVMAHM-BGYRXZFFSA-N 358.476 4.651 0 1 FJAF O=C1Nc2ccccc2/C1=C\c1nc(-c2ccccc2F)n2ccccc12 72109889 NPJJOOOJIBYEHP-DTQAZKPQSA-N 355.372 4.633 0 1 FJAF CC1(C)C[C@H](NC(=S)Nc2cccc(Cl)c2)c2cc(N)ccc2O1 72175395 ZAOYJTXARIGJEH-HNNXBMFYSA-N 361.898 4.511 0 1 FJAF O=C1[C@H](c2ccccc2)C[C@H](c2ccccc2)C(=O)N1Cc1ccccc1 73198967 TZOWOAQYYKFDQY-SZPZYZBQSA-N 355.437 4.513 0 1 FJAF COc1cc(OC)cc(Oc2cc(NCc3cccc(Cl)c3)ncn2)c1 82067821 ZUUARBPOHOMKNY-UHFFFAOYSA-N 371.824 4.552 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@@H]1C(=O)O 86037207 SPGPUDJMXMJNCU-QYZOEREBSA-N 368.514 4.909 0 1 FJAF biogenic Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 101961541 KDQMZSJCFQGRAU-MRXNPFEDSA-N 361.207 4.780 0 1 FJAF CCOc1cccc(CN2C(=O)[C@H](C)C[C@@H]2c2c(F)cccc2OCC)c1 167581829 LWBJANYLUOJSLI-DNVCBOLYSA-N 371.452 4.733 0 1 FJAF CC[C@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1Cl 169352224 MSVSJGZEMZIISI-NSHDSACASA-N 354.878 4.913 0 1 FJAF COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)cs2)cc1 169726248 ZIADXVILFQFNRQ-SFHVURJKSA-N 365.458 4.521 0 1 FJAF CC(=O)N1CC2(CCN(Cc3ccc(Cl)cc3)CC2)Cc2ccccc21 299852258 PMRUVXVFAPGGBQ-UHFFFAOYSA-N 368.908 4.531 0 1 FJAF Clc1ccc(OCc2nc3ccc(Cl)nc3[nH]2)c(Br)c1 586976007 AYTHDMQNXMMZJS-UHFFFAOYSA-N 373.037 4.606 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084773 SPBINMBDVNUOKM-UHFFFAOYSA-N 355.722 4.849 0 1 FJAF Cc1c(Br)ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587092441 OYRIQGNVQOGWEA-UHFFFAOYSA-N 374.160 4.784 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c1 587159987 AQQHLPWGEOTEKY-UHFFFAOYSA-N 358.376 4.921 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=COc3c(Cl)cc(Cl)cc31)O2 587380499 VMUCFEVMZNJDDN-SFHVURJKSA-N 362.212 4.651 0 1 FJAF CCc1ccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587412171 HOXOPULJICVXCC-IBGZPJMESA-N 364.470 4.970 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)c(C)c1)[C@@H](C2)C3=O 587418289 CAZUDTWWHSPURX-KXBFYZLASA-N 362.347 4.685 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)c(C)o1)CC2=O 587459010 VTOCPHMXYUWZGR-MRXNPFEDSA-N 365.223 4.715 0 1 FJAF C[C@@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587504305 GZHCVXNRZDRCRA-MCMMXHMISA-N 352.405 4.736 0 1 FJAF CN(CC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587507060 QZOGEAUAXAIRMO-QFIPXVFZSA-N 373.493 4.546 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)F)N1 587714023 DZMGMPWIUMGFSO-DYZYQPBXSA-N 370.212 4.631 0 1 FJAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726177 VTTVAWGCTTXPMA-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587928148 WXGPHQAVPLYYOV-JTQLQIEISA-N 350.340 4.539 0 1 FJAF COc1ccc(-c2ccc3ncc(-c4cccc(Cl)c4)n3n2)cc1OC 653773161 QGHWHQCOYZXVNZ-UHFFFAOYSA-N 365.820 4.734 0 1 FJAF COc1ccc(C=Cc2cc(=N)c3ccccc3[nH]2)cc1Br 1857591624 MJCWABWVXSCOAC-UHFFFAOYSA-N 355.235 4.589 0 1 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccc(Cl)cc1)C2)c1ccccc1 96018969 AYDYFBMDYGBUPV-UBXANZILSA-N 353.849 4.776 0 3 FJAF CCCCSc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1 13556524 VYLWKZRBJKKHHL-UHFFFAOYSA-N 357.306 4.868 0 1 FJAF CCOC(=O)c1sc2c(c1C)[C@@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2 18062181 VVCRBEHYJDMBTK-JKSUJKDBSA-N 373.499 4.882 0 1 FJAF COc1cc2ccnc(Cc3cccc(Br)c3)c2cc1OC 26667616 BDTQGQRPDPQNOF-UHFFFAOYSA-N 358.235 4.605 0 1 FJAF C/C(=C\COc1ccc2ccc(=O)oc2c1)C1=CC(=N)C2(CCCCC2)O1 26724911 BVBOIIYLVKOSCI-RLOMILPJSA-N 365.429 4.755 0 1 FJAF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 28570253 YLQGCRVAOAOYQS-GOSISDBHSA-N 350.418 4.879 0 1 FJAF CCCCSc1ncc2ncn(Cc3c(F)ccc(Cl)c3F)c2n1 40977215 ZBDDRERNGJGTDY-UHFFFAOYSA-N 368.840 4.698 0 1 FJAF in-vivo CCOc1ccccc1CCNCC1CCN(CC2CCCCC2)CC1 45190408 PBHOUIGWFYYEIL-UHFFFAOYSA-N 358.570 4.510 0 1 FJAF O=c1[nH]cc(-c2cccc3cccnc23)c2sc(-c3ccncc3)cc12 72176029 ZFBKXLJPSOHGSJ-UHFFFAOYSA-N 355.422 4.867 0 1 FJAF Cc1ccccc1CNCc1coc(-c2ccccc2Br)n1 72181847 FMUCZYYLUQWPOY-UHFFFAOYSA-N 357.251 4.702 0 1 FJAF COc1ccc(CCNCc2coc(-c3cccc4ccccc34)n2)cc1 72184778 UDHVBZRGOWJTMG-UHFFFAOYSA-N 358.441 4.836 0 1 FJAF Cc1ccc([C@H](O)c2nnc(Nc3cccc(C(F)(F)F)c3)s2)cc1 82078324 DQRAVRGWEMNCKI-AWEZNQCLSA-N 365.380 4.691 0 1 FJAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2C/C=C/Cl 169315349 KGNAPNYIRWVYNQ-QFNQXOAFSA-N 353.893 4.697 0 1 FJAF c1cc(C2=NC3(CCCCC3)CO2)ccc1O[C@H]1C[C@@H](N2CCCCC2)C1 169330207 PTNZQYZEFFGEON-XUTJKUGGSA-N 368.521 4.562 0 1 FJAF CC[C@@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccco2)C1 299880731 MTSFAZQUXASQPT-OWCLPIDISA-N 370.497 4.598 0 1 FJAF C[C@@H](SCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586963075 JNNJKGGQRMRTCC-CYBMUJFWSA-N 352.438 4.882 0 1 FJAF COc1cc(-c2nc3cc(C)c(Br)cc3[nH]2)cc(Cl)c1O 587046364 PPMYYFQWCQHWJF-UHFFFAOYSA-N 367.630 4.668 0 1 FJAF Cc1cc(C)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 587202630 FSQIMHPQVPYZGK-UHFFFAOYSA-N 364.449 4.697 0 1 FJAF c1ccc(CNc2ncccc2-c2nc3ccc4ncccc4c3[nH]2)cc1 587230372 UBMCFZHRAZRXEJ-UHFFFAOYSA-N 351.413 4.785 0 1 FJAF O=C1c2ccc(O)cc2O[C@](CF)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587334160 XOMBFXQYQUPSHT-IFMALSPDSA-N 366.363 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC(Cc1ccccc1)(Cc1ccccc1)O2 587404600 YGOOGMXHSZCWHJ-UHFFFAOYSA-N 357.453 4.767 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428514 NOWKHVLJGFLSMN-RDPSFJRHSA-N 374.411 4.720 0 1 FJAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587602036 IJBAFUUJWJDIBR-LPTQZCDUSA-N 360.409 4.916 0 1 FJAF CC[C@@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615832 HPRDMYRLDLKNKE-RXVVDRJESA-N 350.370 4.561 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2CCC(F)(F)CC2)N1 587715349 CHDDJKXEOHBJJN-RFAUZJTJSA-N 362.233 4.989 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715669 IJHVPXZRYLTYQB-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587721124 OVIBUZKPLUCBJV-QPFGOUBPSA-N 370.212 4.798 0 1 FJAF Cc1cc(F)ccc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725977 HCGRWQSCAHPRMH-BBATYDOGSA-N 366.249 4.833 0 1 FJAF Cc1cc2c(cc1C)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818674 SFQIZSJXMNSFFC-XCLFUZPHSA-N 374.297 4.929 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CCc3ccccc32)N1 587824141 URLLJFHWVHGPIZ-VWCVUJCZSA-N 360.270 4.894 0 1 FJAF Clc1cnc2[nH]c(COC34CC5CC(CC(C5)C3)C4)nc2c1Cl 587950542 MQBGBHGPGIKUPB-UHFFFAOYSA-N 352.265 4.750 0 1 FJAF COc1ccc2c(c1)[C@H](c1ccc([C@H]3CCCCO3)o1)N(C(C)C)CC2 962093879 QMRIUFQFSQJODB-DENIHFKCSA-N 355.478 4.886 0 1 FJAF COc1ccc2c(c1)[C@](C)(c1ccc(Cl)cc1OC)N(C(C)C)CC2 962095527 UVSFPGJDJJWUKG-NRFANRHFSA-N 359.897 4.887 0 1 FJAF Nc1sccc1[C@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963116284 WJYZUQNQSMFNOG-HTAPYJJXSA-N 364.489 4.782 0 1 FJAF O=C1OC[C@H](Cc2ccc(F)cc2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772642094 QZONWQNVGOHOTI-DZGCQCFKSA-N 353.220 4.707 0 1 FJAF COC(=O)CC=C[C@H](C)[C@H](OCc1ccccc1Br)C(C)C 1857621837 ZNXUGWNPKPHYLU-KBXCAEBGSA-N 369.299 4.746 0 1 FJAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN[C@H]1[C@H](C(C)C)CC[C@]32C 2356486544 WDKKUOYIQZUWGE-GJUOTTCGSA-N 359.554 4.717 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1 2356685798 FWEXPIFVUNZITF-IRMYBRCSSA-N 372.505 4.764 0 1 FJAF O=C(NCc1ccco1)c1cccnc1SCc1ccccc1Cl 2922044 UKZFVSGMMDLZSP-UHFFFAOYSA-N 358.850 4.550 0 1 FJAF CC(=O)NC[C@@H]1C[C@H]1c1cccc2c1C[C@@H](CCCCc1ccccc1)O2 3816219 NRYQPXBVXFULBN-TUNNFDKTSA-N 363.501 4.643 0 1 FJAF O=C(NCCc1c2n(c3ccccc13)CCCc1ccccc1-2)C1CCC1 13494179 QOHNNZMJRQJDJV-UHFFFAOYSA-N 358.485 4.713 0 1 FJAF COc1cccc(-c2nc(N)c3c(C)c(C)n([C@H](C)c4ccccc4)c3n2)c1 13756601 IQMPKJPPLMCRRO-MRXNPFEDSA-N 372.472 4.915 0 1 FJAF Cc1cccc(C)c1NC(=O)c1c(C)n(-c2c(C)cccc2C)c(C)cc1=O 28766784 RLBBOFCARYUFDM-UHFFFAOYSA-N 374.484 4.940 0 1 FJAF Cc1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3C)cc2o1 40424528 OJGQHPUYUAVGQA-UHFFFAOYSA-N 361.376 4.898 0 1 FJAF CC(C)(C)c1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1 40951196 AXWNRMHVMNDHDL-UHFFFAOYSA-N 371.912 4.888 0 1 FJAF C=C1[C@H]2CC[C@H]3[C@](CC[C@H]4[C@@](C)(C(=O)O)CCC[C@@]43C)(C2)[C@H]1OC(C)=O 82123401 AQBQBBLJTDSVLC-WGDCLDDCSA-N 360.494 4.582 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 82186060 XSYCDDPHBNCOOV-ZDUSSCGKSA-N 353.445 4.501 0 1 FJAF COc1ccc(SC[C@H](O)Cn2c3ccccc3c3ccccc32)cc1 84672515 DIAXKTKBKTUNDZ-MRXNPFEDSA-N 363.482 4.956 0 1 FJAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1cccc2ccccc12 167776711 ONKKMUJQKJZJPD-IBGZPJMESA-N 361.441 4.721 0 1 FJAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 204750602 QZVZKUFXKQGDGX-DOMZBBRYSA-N 368.387 4.918 0 1 FJAF C/C=C/c1cc2c(cc1OC)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@@H]2C 238740244 VYLKLOAVECRURJ-QGGNAKNKSA-N 370.445 4.991 0 1 FJAF CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 238768256 HCYUBEIEJHOEDS-KSFYIVLOSA-N 374.477 4.536 0 1 FJAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)[nH]c2c(C)n1 586878943 FWLHPHAEMFUCIW-UHFFFAOYSA-N 357.413 4.915 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 586981430 CKSJWOGRSWEBOS-UHFFFAOYSA-N 369.140 4.824 0 1 FJAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1F 586986922 RBXUZBZHAUPURH-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Fc1cc2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br 587080432 MVDJLHWSWPWVTJ-CQSZACIVSA-N 367.605 4.794 0 1 FJAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2nc(Cl)c[nH]c-2n1 587129687 ZKQDRWVPVBYPJU-UHFFFAOYSA-N 363.780 4.686 0 1 FJAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587162406 BUTMQDLCIUWMNX-HNNXBMFYSA-N 355.310 4.511 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc2c1 587202290 DZRCQVHKAMLFJE-UHFFFAOYSA-N 368.412 4.527 0 1 FJAF O=C(OCc1ccccc1)N1CCC(c2cnc3cccc4c3c2CC4)CC1 587212163 LIMBIEPTDQODOG-UHFFFAOYSA-N 372.468 4.850 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)ccc1Br)O2 587377567 NMWWIOCIHLABFX-SFHVURJKSA-N 360.251 4.529 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3cccnc3)[nH]c3ccccc13)O2 587395357 BQDHAAHBBQCHTF-FQEVSTJZSA-N 369.424 4.827 0 1 FJAF COc1ccc(-c2ccccc2[C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402448 CVLDOXJUVQKAAL-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(Oc4ccccc4)c1)[C@@H](C2)C3=O 587442115 JZWPWWDNDGVFHC-CVDCTZTESA-N 358.393 4.976 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4O)cc1)[C@@H](C2)C3=O 587453072 XMLPIXSURLGKHF-FDDCHVKYSA-N 358.393 4.557 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)sc4ccccc14)[C@@H](C2)C3=O 587453327 QFTLKEZKDATMEB-YCRPNKLZSA-N 350.439 4.881 0 1 FJAF O=C(O)c1cccc2c(-c3ncc[nH]3)c(-c3ccc(Cl)cc3F)[nH]c12 587637594 LIZRQUPCDXBCHL-UHFFFAOYSA-N 355.756 4.716 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC2(C)C 587818120 BUIRTNYFDFLZPE-ODXCJYRJSA-N 374.297 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818724 IZOONKPSPUWBJM-VHKJUGFYSA-N 360.270 4.967 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4c(F)cc(F)cc4[nH]3)cc2)c1 587932200 PPPHCEXHIPFYON-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF Oc1nc2cc3nc(Cc4ccccc4Oc4ccccc4)[nH]c3cc2[nH]1 587951189 XTWVZMFEVTZGDT-UHFFFAOYSA-N 356.385 4.528 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCOc3c(F)cc(F)cc32)N1 962947602 NWGBIHNVQDCPPB-RCDICMHDSA-N 368.427 4.787 0 1 FJAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCCc1ccccc1)C2=O 1772583587 WUMJZYDDCKLLKU-DEOSSOPVSA-N 363.501 4.682 0 1 FJAF COc1cc([C@H](C)c2ccc(OC(F)(F)F)cc2)cc(OC)c1OC 1857749533 BDHXEHUOJNEXEY-LLVKDONJSA-N 356.340 4.763 0 1 FJAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCCO4)[C@@H](C)[C@H]2C)cc1OC 2356524671 BBSVRRFIUUMCCG-FDQSAEMMSA-N 370.445 4.560 0 1 FJAF CC(C)[C@@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61908235 OAAMVAUIYSIWBV-GOSISDBHSA-N 351.475 4.774 0 3 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590739 MPGFEMYHWUEOAQ-ZFVVBOAOSA-N 368.399 4.517 0 3 FJAF CC(=O)OC[C@@H]1CC[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 36434591 CSQRHRPGMJMXPY-TZEULACYSA-N 374.477 4.619 0 1 FJAF CCC[C@H](CC)OC(=O)c1cc(CO)cc(C(=O)O[C@@H](CC)CCC)c1 40972381 ONMFJTSDBZIFTK-OALUTQOASA-N 364.482 4.650 0 1 FJAF in-vivo CC(=O)Nc1cccc(NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110857 ONAJBEIVWPVZQQ-QHCPKHFHSA-N 366.505 4.974 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)o1 82164565 SIEFWBGJJGPNIC-OKILXGFUSA-N 366.440 4.728 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)[C@H](C)c4ccccc43)CC2)CC1 101680332 UDIDJCCXFVDPEB-GUDVDZBRSA-N 354.538 4.816 0 1 FJAF Cc1nn(Cc2c(Cl)cccc2C2CC2)c2cc(CCC(=O)O)ccc12 203701777 UXVNKZHKSALNLD-UHFFFAOYSA-N 368.864 4.941 0 1 FJAF COC(=O)N1C[C@@H]2[C@@H]3[C@H]4C[C@@H](C(c5ccccc5)=C4c4ccccc4)[C@@H]3[C@H]21 299815413 FZZYGBFGNWPQRI-ZNNMUCEXSA-N 357.453 4.560 0 1 FJAF CCCOc1cc2nc(-c3ncccc3Cl)[nH]c2cc1Br 587065638 USQYEEVVEGXPSE-UHFFFAOYSA-N 366.646 4.830 0 1 FJAF Clc1ccc(CC2(c3nc4ccc(Br)nc4[nH]3)CC2)cc1 587074259 VLSYWXXGTKEXGH-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF Fc1cc2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2cc1Br 587085007 WHSPEJKLWSMXJH-UHFFFAOYSA-N 366.621 4.593 0 1 FJAF CC[C@@]1(c2ccc(OCC(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399884 KUGFRJKUSAAFIU-QFIPXVFZSA-N 353.462 4.883 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587444583 DYGGQWQRWOEQKG-RDPSFJRHSA-N 356.421 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@H](n3nc(C)cc3C)C1)CC2=O 587476148 PPFWMULTOUBRIP-KSFYIVLOSA-N 368.477 4.677 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](OCC)C12CCCCC2 587489651 PLUKSUZQNMNZFX-DENIHFKCSA-N 358.478 4.808 0 1 FJAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)nn1C 587516072 QNXXBGLNSHQNOV-OAQYLSRUSA-N 372.468 4.981 0 1 FJAF Cc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2c1 587592415 YOHXHXWNJVJQBW-OFNKIYASSA-N 371.392 4.885 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587632019 APVHJRBTGLOQEN-UHFFFAOYSA-N 371.755 4.715 0 1 FJAF Cc1ccc(F)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587725387 CXOPWWMXHZTULT-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cc1O 587787573 VRAVFHQSOCCGRK-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@H]2C2CC2)N1 587823669 QUUOYCGSWNKUII-CDNVCLAFSA-N 352.291 4.918 0 1 FJAF COc1ccc(C2(c3nc4cc(Cl)ncc4[nH]3)CC3(CCC3)C2)cc1 587936902 MRVFJIBHAUKOJJ-UHFFFAOYSA-N 353.853 4.870 0 1 FJAF Cc1ccncc1[C@]1(c2ccc(F)cc2)NCCc2c1sc(C)c2C 963014119 TZVOIXJTHHGZHL-NRFANRHFSA-N 352.478 4.645 0 1 FJAF Oc1ccc2c(c1)[C@@](CCc1ccc(Br)cc1)(C1CC1)NCC2 963354973 ZVOYYISCZZERKB-HXUWFJFHSA-N 372.306 4.539 0 1 FJAF CC(=O)Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772636305 VIGNFZYVSZHVED-UHFFFAOYSA-N 372.350 4.864 0 1 FJAF NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccn1 1857566616 YYWLDHVFBDQOSB-IBGZPJMESA-N 365.820 4.622 0 1 FJAF COc1ccc([C@H]2c3ccc(OC)cc3O[C@H]2c2cccc(OC)c2)cc1 1857744422 UPMSWICUWCTLQT-GOTSBHOMSA-N 362.425 4.978 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1ccc(OC(C)=O)c(OC)c1)O2 2356641568 ULUHHHUHNYTNGV-ZSEKCTLFSA-N 368.429 4.899 0 1 FJAF CN(C)CCN=c1cc(/C=C/c2cccs2)[nH]c2ccc(Cl)cc12 2382233314 JWJUWXDBKYUBLN-VOTSOKGWSA-N 357.910 4.516 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCO[C@H]2O3)cc1 13609169 QIYIAVWWIGXXBQ-FPOVZHCZSA-N 353.418 4.817 0 1 FJAF Cc1ccc(-c2ncc(C(=O)NCC3CC3)nc2-c2ccc(C)cc2)cc1 28900234 XDASGFYZLKMNIT-UHFFFAOYSA-N 357.457 4.567 0 1 FJAF Cc1c(C2CCNCC2)ccnc1O[C@@H](c1cccc(F)c1)C(F)(F)F 40938893 TTZFFXORXRZDPG-KRWDZBQOSA-N 368.374 4.679 0 1 FJAF CCOc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(C)=O)c1 40980230 FRAIRAHFBRBHJA-UHFFFAOYSA-N 367.401 4.646 0 1 FJAF CN1CCC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 45291562 IEEUUMSWWJYKDX-KFULVZMISA-N 360.545 4.887 0 1 FJAF Cc1cc(C(=O)N2CCC[C@@H]2c2ccc(-c3cccc(Cl)c3)nc2)no1 72142839 DAFZNNUZXVOGHF-LJQANCHMSA-N 367.836 4.676 0 1 FJAF Cc1ccncc1-c1cccc2c1ncn2-c1cccc(C(F)(F)F)n1 95558766 HHNYTYCFMNXBSW-UHFFFAOYSA-N 354.335 4.810 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152197 FMMKJMIJNXFPMS-PIIMJCKOSA-N 356.491 4.517 0 1 FJAF O=c1c2c(sn1-c1cc(OC3CCCC3)c(Cl)cc1F)CCCC2 103180683 RJJNQTSISNCWOZ-UHFFFAOYSA-N 367.873 4.892 0 1 FJAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)c1cccs1 144708509 HFYNURUKGMHLKD-SFHVURJKSA-N 360.356 4.758 0 1 FJAF CC[C@H](NC)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164945680 JHHUNTNXOHKEGQ-HNNXBMFYSA-N 364.470 4.786 0 1 FJAF CC/C=C/[C@H](CC)C/C(C)=C/[C@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC 169370190 AVSPCYKDNIUSRR-ZXROIVBQSA-N 352.515 4.628 0 1 FJAF C[C@H]1c2[nH]c3cccc(-c4ccccc4)c3c2Cc2c(O)n(C)c(=S)n21 169729590 TUISZPWEVIWYLE-LBPRGKRZSA-N 361.470 4.923 0 1 FJAF CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@H]12 195335101 OGPGSYNCKSLJOF-WNOSKKOXSA-N 368.951 4.949 0 1 FJAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@H](C)CCC[C@@H]12 238754545 ZAWHOLMDNIHGEJ-JRDQZGIQSA-N 351.446 4.610 0 1 FJAF O=C1c2ccccc2-c2cc(Cc3ccccc3F)nc3ccc(O)c1c23 586988305 IOSCWAKXPBBUNS-UHFFFAOYSA-N 355.368 4.882 0 1 FJAF Cc1c(Br)cc2nc(C(C[C@H]3CCCN3)=C(F)F)[nH]c2c1C 587089068 XFIFJTFJYHEJFE-SNVBAGLBSA-N 370.241 4.692 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)c4ccccn4)nc13)-c1ccccc1C2=O 587098396 UQZASENESUFJTC-UHFFFAOYSA-N 364.404 4.575 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(F)c2[nH]1 587149346 FGNKTKXIJGZCSD-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587162409 BUTMQDLCIUWMNX-OAHLLOKOSA-N 355.310 4.511 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(C(F)(F)F)c3[nH]2)cn1 587246482 ANWWQBVDGWOQFH-UHFFFAOYSA-N 362.355 4.628 0 1 FJAF CCOC1=C[C@@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351440 MUWDGWJETIWWOH-IFMALSPDSA-N 368.404 4.733 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1Br)O2 587378279 UABYZIZBVSSFQA-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)cc(C(F)(F)F)c1)CC2=O 587464308 NZTSAIFBAMQIPS-KRWDZBQOSA-N 366.335 4.776 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(F)c1 587554660 MLPKXTUIPRFYJB-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](C(F)F)CC2 587557791 TXGAYNPQZOGAPX-IBNJYYFUSA-N 374.383 4.938 0 1 FJAF CCn1c(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587580048 WWHNPLGOQFHPPF-SIKLNZKXSA-N 363.413 4.533 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Cl 587614313 RTPKCWXOKIWVLT-YOEHRIQHSA-N 358.802 4.810 0 1 FJAF Cc1ccc(Cl)c2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587653858 MXVOENUKPYFIEU-UHFFFAOYSA-N 362.241 4.611 0 1 FJAF CCc1c(C)[nH]c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587795504 XWOLUHGJKSIUJA-LZVRBXCZSA-N 365.290 4.719 0 1 FJAF COC(=O)c1cc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc2cc1OC 587962687 VURFLWCHLRWRFU-UHFFFAOYSA-N 372.424 4.616 0 1 FJAF CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCCC(=O)O 2356506831 QJJOLZOJRISMDP-SFTDATJTSA-N 362.510 4.715 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@H](O)CC(=O)O 2356532287 VSFCXUJTWJIBPN-QEUVDIPISA-N 354.531 4.708 0 1 FJAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@H](C)CCC[C@@H]12 2356576391 ZAWHOLMDNIHGEJ-TWKWOARYSA-N 351.446 4.610 0 1 FJAF COc1ccc2c(c1)c1c(n2CCN2CCCCC2)-c2ccccc2CC1 1651447 GNAFEAWQHIWSDB-UHFFFAOYSA-N 360.501 4.901 0 1 FJAF Cc1csc(-c2nc(N)c3cc(C4(c5ccccc5)CC4)sc3n2)n1 96908912 NEGXZKPQYUOIFO-UHFFFAOYSA-N 364.499 4.785 0 1 FJAF CCCc1cn(-c2cccc(C(F)(F)F)c2)/c(=N\C(=O)OCC)s1 103293709 WXOGDJKMDYBHCG-XSFVSMFZSA-N 358.385 4.567 0 1 FJAF O=C1N[C@H](c2cncc(C#Cc3ccccc3)c2)[C@@H](c2ccc(Cl)cc2)O1 167175520 WEJDTERQTZOYSY-NHCUHLMSSA-N 374.827 4.657 0 1 FJAF CCOC(=O)c1ccc2c(c1)nc(-c1ccc(O)cc1)n2-c1ccccc1 169353539 CILWBTFYUCIFES-UHFFFAOYSA-N 358.397 4.575 0 1 FJAF O=[S@@](c1cccs1)c1c(O)c(-c2cccnc2)cc2ccccc12 299823519 DVLCPQBZOXEWCB-DEOSSOPVSA-N 351.452 4.836 0 1 FJAF O=C1C[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@@H]2CCCC[C@H]2N1 299845546 FLOVARDSPJUOHV-NJDAHSKKSA-N 368.908 4.714 0 1 FJAF CC1(C)OC(=O)C[C@@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912726 WZUYTANYZCYTJW-GFCCVEGCSA-N 363.442 4.649 0 1 FJAF Nc1ccc(-c2ccc3nc(-c4csc5ccc(O)cc45)[nH]c3c2)cc1N 587032344 IEBORCUILAMVSA-UHFFFAOYSA-N 372.453 4.982 0 1 FJAF Clc1ccc(CC2(c3nc4cc5c(cc4[nH]3)OCCCO5)CC2)cc1 587074778 YMDQFXSHERLWDX-UHFFFAOYSA-N 354.837 4.652 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c(Cl)c2c1 587174402 JQJDGNYFGBMTMD-UHFFFAOYSA-N 369.762 4.829 0 1 FJAF CCN(CC)c1ccc2cc(-c3cc4c5c(cccc5n3)CC4)c(=O)oc2c1 587212433 JLENSBJJGNXFTL-UHFFFAOYSA-N 370.452 4.953 0 1 FJAF CCC(=O)CC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349572 CJZWFNNCIKVCIL-IRLDBZIGSA-N 370.420 4.798 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)c(F)c1)O2 587385725 PMDQYRJEWYDMBK-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCc3ccccc3)c1)O2 587399196 JMAHUFLDEXATID-JOCHJYFZSA-N 359.425 4.863 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccc4F)c1)[C@@H](C2)C3=O 587425574 FDQDTAJADJMKJD-MBSDFSHPSA-N 360.384 4.990 0 1 FJAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccc(Cl)cc21 587496261 ARUQDDULYORBTK-LJQANCHMSA-N 366.848 4.812 0 1 FJAF C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549966 ULWSCSVLLQCKEE-GHTZIAJQSA-N 366.800 4.923 0 1 FJAF CC(C)COc1cccc(OCc2nc3ccc(OC(C)C)cc3[nH]2)c1 587566061 RYFHQMJRQUDLPW-UHFFFAOYSA-N 354.450 4.964 0 1 FJAF C[C@]1(c2cc3ccccn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589111 UALXTQYBIPTCDN-NFBKMPQASA-N 371.392 4.522 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)ccc2F)N1 587718045 MHSBFAXKSMDKAK-HUTHGQBESA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C2CC2)N1 587850911 GKFHEHBYGBLJIB-BTDLBPIBSA-N 366.299 4.838 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 587970475 IAJUARQYUHDMOV-UHFFFAOYSA-N 374.362 4.891 0 1 FJAF CC(C)(C)[C@@]1(c2ccc(F)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963130969 LVXRXLSHXLMGDO-FQEVSTJZSA-N 361.844 4.613 0 1 FJAF Cc1ccc(C(=O)NC2CCCCCC2)c(OCc2ccc(F)cc2)n1 2382233436 NRGJIFHBRFCUIQ-UHFFFAOYSA-N 356.441 4.561 0 1 FJAF CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccc(F)cc4)cn23)c1 61926214 QVESABWARUAGES-UHFFFAOYSA-N 373.387 4.578 0 3 FJAF COc1ccc(NC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1OC 4905904 VHPRWDDLZHBSQJ-UHFFFAOYSA-N 362.385 4.559 0 1 FJAF O=C(O)Cc1ccc(Oc2nc3ccccc3nc2-c2ccccc2)cc1 6582456 FWJUJPWPCHZQFF-UHFFFAOYSA-N 356.381 4.716 0 1 FJAF CC(C)(C)c1cc(-c2nc(CN3CCCC3)no2)cc(C(C)(C)C)c1O 13727719 MWBUUXKWIZSYDS-UHFFFAOYSA-N 357.498 4.633 0 1 FJAF CCN1CCC(c2ccccc2)=C(C(=O)OCCCCc2ccccc2)C1 13782827 XAPDCGAVGSRGKC-UHFFFAOYSA-N 363.501 4.732 0 1 FJAF CCCCC[C@@H](O)/C=C/CC[C@@H]1CCCc2c(OCC(=O)O)cccc21 26007871 JHZPIHBJWATKJV-PFKFJBCPSA-N 360.494 4.848 0 1 FJAF O=C(Oc1cccnc1)C1CCN(C2(c3ccccc3)CCCCC2)CC1 27553286 GBYZASSBMPSJTE-UHFFFAOYSA-N 364.489 4.559 0 1 FJAF CCC1=N[C@H](c2ccc(O)cc2Cl)[C@H](c2ccc(O)cc2Cl)N1 28007617 LSUKVXBNRUHWHI-CALCHBBNSA-N 351.233 4.599 0 1 FJAF CCCCC(CCCC)N1N=C(C2=C[C@H]3C=CC=C[C@@H]3C=C2)OCC1=O 40414035 NBSKTVFQBIYZTC-QZTJIDSGSA-N 354.494 4.762 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 40764073 UOQUGIWUWKCTLJ-SRUXOGRHSA-N 350.506 4.815 0 1 FJAF C[C@@]1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1 40951768 NLLIEHXGJJLHDT-HNNXBMFYSA-N 352.615 4.684 0 1 FJAF Cc1cccc(NC(=O)c2c[nH]c3cccc(NCc4ccncc4)c23)c1 66074156 JDQKZYKAMGEBEE-UHFFFAOYSA-N 356.429 4.736 0 1 FJAF O=C(c1cncs1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176544 RKXWYPUEOQNZBV-KRWDZBQOSA-N 369.877 4.836 0 1 FJAF CCCCCCCCCCCCCC[C@H](C(=O)O)[C@H](CC(=O)O)C(=O)O 85637023 YBZIIVKQVVKTTD-IRXDYDNUSA-N 372.502 4.954 0 1 FJAF biogenic CCOc1ccc(-n2cnc3nc(NCc4ccc(CC)cc4)ccc32)cc1 95593601 DDQJUJDHBSGFLN-UHFFFAOYSA-N 372.472 4.994 0 1 FJAF Cc1cccc(CNc2ncc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c1 117412105 LAEAEJMUQQRTTK-UHFFFAOYSA-N 363.852 4.518 0 1 FJAF Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144786446 YIWMNGFLSFBMIF-QGZVFWFLSA-N 364.754 4.519 0 1 FJAF CO[C@@H]1c2ccccc2[C@H]2[C@H](c3c(c4ccccc4n3C)[C@@H]2C(=O)O)[C@H]1C 195472451 SAAHQXFSJMSMGY-VCPOTMRNSA-N 361.441 4.565 0 1 FJAF CC[C@H](C)Cc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 299819844 BMFJFECGESTBHX-UGSOOPFHSA-N 357.519 4.706 0 1 FJAF CCOc1ccc(OCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 473146922 DTYBCDCKZNRYGO-UHFFFAOYSA-N 361.441 4.941 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587027183 QQBWMVAHDJXPCO-UHFFFAOYSA-N 365.245 4.880 0 1 FJAF COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc(Cl)c1OCC(C)C 587045855 HASZBQFAKIHGPQ-UHFFFAOYSA-N 374.824 4.625 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCOc1ccc(Cl)c(Cl)c1)O2 587377521 JMDQGSCSTOHBHH-LBPRGKRZSA-N 366.244 4.687 0 1 FJAF O=C1C[C@H](c2csc(-c3ccccn3)n2)Oc2c1ccc1c2CCCC1 587535115 IIWFKWRJPHVMLF-LJQANCHMSA-N 362.454 4.790 0 1 FJAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)O[C@@H](C)C2 587536250 STLYGOILQOYJEB-WHEQGISXSA-N 364.441 4.604 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)c(F)c1 587555530 GQFISRGCGQJPPT-OXJNMPFZSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2occc2c1 587617482 PVRXRZYNEBCUHT-KNQAVFIVSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818569 IQZXMVJVJGDUDH-YBJLUAFYSA-N 360.270 4.967 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Nc1ccccc1 587862916 LGRMQAWZNBNGIT-UHFFFAOYSA-N 361.323 4.658 0 1 FJAF Clc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c(Cl)n1 587951348 SXDQITSJNYRONY-UHFFFAOYSA-N 352.265 4.750 0 1 FJAF Cc1c(F)ccc2c1[C@H](c1cccc(Br)c1Cl)NCC2 962298633 NHCQLGDHERGALL-INIZCTEOSA-N 354.650 4.785 0 1 FJAF Cc1ccc2c(c1)C1(c3cc(C)ccc3-2)c2ccsc2CCN1C(N)=O 962703394 CNXFJGGOAWBGCE-UHFFFAOYSA-N 360.482 4.574 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCC[C@H]2NC(=O)OC(C)(C)C 963237754 ZJMUVIAPUYZJGM-ZWDAVXSWSA-N 358.526 4.616 0 1 FJAF Oc1ccc2c(c1)[C@@H](c1cccc(OCc3ccc(Cl)cc3)c1)NCC2 963343800 WTMCRJLUJZXUCD-JOCHJYFZSA-N 365.860 4.860 0 1 FJAF CCCc1[nH]nc2c1[C@H](c1ccc(C)cc1)c1c(nc3c(c1N)CCCC3)O2 1772632340 FRKFJZGWSRVWQO-SFHVURJKSA-N 374.488 4.813 0 1 FJAF COc1ccc(Br)cc1-c1nnc(-c2cc3ccccc3[nH]2)o1 1772652874 YLTNVJMKLZSQGK-UHFFFAOYSA-N 370.206 4.656 0 1 FJAF Cc1cc(Oc2ccccc2)c(C)cc1NC(=O)c1c(O)nn2ccccc12 1857747697 MAABWDSRAWCVBC-UHFFFAOYSA-N 373.412 4.701 0 1 FJAF COc1ccc2c(-c3ccc(O)cc3)c(Oc3ccccc3)c(=O)oc2c1 1861377 ZZYATZWOTZISSC-UHFFFAOYSA-N 360.365 4.967 0 1 FJAF O=C(O)c1ccc(-c2nc(-c3ccccn3)c(-c3ccc(F)cc3)[nH]2)cc1 13472531 RQQBMRHOBFJBAW-UHFFFAOYSA-N 359.360 4.643 0 1 FJAF CC1(C)C[C@@H](NC(=S)NCc2ccccc2)c2cc(Cl)ccc2O1 13608349 RHEPHFNLNYPAFY-MRXNPFEDSA-N 360.910 4.607 0 1 FJAF COC(=O)c1ccc(-c2[nH]c(-c3ccccc3)nc2-c2ccncc2)cc1 13798193 BTUXDHINVDWEQX-UHFFFAOYSA-N 355.397 4.592 0 1 FJAF OCc1cccc2c1Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2 28822272 UPYFAABHFADVIM-UHFFFAOYSA-N 354.409 4.513 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(C3CCCC3)C[C@@H]2C1 36289107 MJQVOFAVZVQEPV-URXFXBBRSA-N 350.550 4.603 0 1 FJAF CN(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 96913280 CUUYCUVOKRMBIO-UHFFFAOYSA-N 374.868 4.990 0 1 FJAF CC(=O)O[C@H]1C[C@@H](C)[C@](C)(/C=C\c2ccoc2)[C@H]2CCC[C@@H](C(=O)O)[C@]12C 103549988 ANOFHMQPLUCEOM-RENWYEBQSA-N 374.477 4.778 0 1 FJAF biogenic,in-vitro COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 169346080 BLOLSIOUOOBUTD-FMXKGSGQSA-N 371.527 4.516 0 1 FJAF COc1ccc(CC2=C[C@H](Cc3ccc(OC)cc3)[C@@H]3CC[C@@H]2N3C)cc1 169360192 IIUCDLSWGJQFQI-IGKWTDBASA-N 363.501 4.508 0 1 FJAF Cc1ncnc(C)c1-c1ccc(Oc2nccc3[nH]ccc23)c(F)c1F 169705972 GJTYTYLNEKAWDJ-UHFFFAOYSA-N 352.344 4.707 0 1 FJAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc([C@H](C)C(=O)O)ccc12 205653431 SWCINCQJQPUTBV-JTQLQIEISA-N 363.244 4.888 0 1 FJAF CN(C)[C@]1(c2ccccc2)CC[C@@H](NCCc2c[nH]c3ccccc23)CC1 299827394 GKKDBSVWRIIQDJ-SAIGFBBZSA-N 361.533 4.700 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3c(Cl)ncnc3[nH]2)c1 586880037 XFHFVWCGQBDTGR-UHFFFAOYSA-N 362.820 4.521 0 1 FJAF Cc1cc2c(o1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990059 CJXOBQZQXHWTLQ-UHFFFAOYSA-N 353.377 4.819 0 1 FJAF FC(F)(F)c1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cn1 587031827 BFGCKHIFXJVLMC-UHFFFAOYSA-N 374.391 4.985 0 1 FJAF Oc1ncnc2[nH]c(-c3cc(-c4ccccc4Cl)nc4ccccc34)nc12 587060197 FKAQHKJKFOLLNW-UHFFFAOYSA-N 373.803 4.594 0 1 FJAF FC(F)(F)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076104 IXXSGHYAKARFSE-HNNXBMFYSA-N 365.742 4.852 0 1 FJAF Oc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148476 ARYJTFCTMGZEAN-LJQANCHMSA-N 352.340 4.715 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587168408 HZBSDLGVDGDDMH-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)cc(F)c2[nH]1 587195169 GPPVPILXTNEUFK-SNVBAGLBSA-N 362.246 4.682 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1nc(-c4cccc(C)c4)cs1)[C@@H](C2)C3=O 587451991 PROQSWBSMWSYEC-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3ccc(OC)cc13)CC2=O 587477056 TUPFPTWDRIMPOQ-OAQYLSRUSA-N 365.429 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3ccc(OC)cc13)CC2=O 587486087 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364.574 4.878 0 1 FJAF C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 34801439 SYCPRHSKXPRURM-UXTBTXDCSA-N 359.554 4.645 0 1 FJAF CC(C)[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 102954568 FYPLYVPUIGBRQE-ZWOKBUDYSA-N 358.441 4.584 0 1 FJAF CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1ccc(OC)c(O)c1 103246260 SSYQGKJEKGYGMY-GOSISDBHSA-N 365.366 4.778 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CNC(=O)CC[C@]34C)C1=CC=C2c1cccnc1 169251948 NUWURQBNHLGVOO-CYELZPNWSA-N 362.517 4.764 0 1 FJAF Cc1c(Br)cc2nc(C[C@@H]3CCc4occc4C3=O)[nH]c2c1C 586908128 QLRQKIKBDVSUGF-NSHDSACASA-N 373.250 4.523 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4cnccc34)nc3ccc(O)c1c23 586989206 BGQUGDHAKHDHKN-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF COc1nccc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c12 587014897 SXSDUPYZMDQMKM-UHFFFAOYSA-N 356.838 4.719 0 1 FJAF Cc1c(Br)cnc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c12 587033169 GEBDGOABCZZDPT-MRVPVSSYSA-N 362.296 4.882 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc(C)c2[nH]1 587034266 GSNCTKPBUBOYRX-AWEZNQCLSA-N 364.474 4.752 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cc(Cl)cnc2[nH]1 587044505 GQGUSWNEEMTSAW-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2ccc(C(C)=O)cc2[nH]1 587045059 ZOEQDKMVXNTNRX-UHFFFAOYSA-N 365.216 4.757 0 1 FJAF Cc1cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2cc1Br 587079587 DTSUBNXZOQTASO-HNNXBMFYSA-N 363.642 4.963 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 587157593 BOSYGAVVICHXCA-UHFFFAOYSA-N 360.344 4.547 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)(C)C 587206932 ZAQOPWVIOZYQTC-HNNXBMFYSA-N 374.529 4.737 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1 587241429 BNGCZWZBJNVVHW-UHFFFAOYSA-N 373.359 4.536 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)[C@@H](O)C3)c1 587365023 CHZVHWBHVYBQDA-YJYMSZOUSA-N 359.425 4.752 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1cccc(Cl)c1)O2 587376646 DRZRWQRKVDVGEU-NRFANRHFSA-N 364.832 4.535 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COc1cc(/C=C\Cc2cc(O)c3ccsc3c2)cc(OC)c1OC 36311020 PFXLWGSECSGAJQ-XQRVVYSFSA-N 356.443 4.889 0 1 FJAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2c(C)cccc12 40862862 AUKQCJKXTYULAS-UHFFFAOYSA-N 362.473 4.975 0 1 FJAF COc1ccc2c(c1)OCc1c-2oc2c3c(c(O)cc12)OC(C)(C)C=C3 43013653 AMXXXMGWYLGBLR-UHFFFAOYSA-N 350.370 4.891 0 1 FJAF biogenic,in-vitro C/C1=C/CC[C@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 195375552 AVRRAMZPNSQDIW-HLFQCVCUSA-N 358.478 4.627 0 1 FJAF COC(=O)C[C@@H](CC[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]21C)C(=O)OC 238736902 AXMJAEHKLHWQFC-BZDHPDOMSA-N 364.526 4.918 0 1 FJAF Cc1cccc(OC(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)c1 253639304 DCCIBUPSLSMHHL-GFOJFJKKSA-N 369.892 4.820 0 1 FJAF Cc1cc(Br)c2[nH]c(/C=C\c3ccccc3C(=O)O)nc2c1 586880858 CJPCPHBJJAEFCN-SREVYHEPSA-N 357.207 4.502 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4cccc(Cl)c4[nH]3)n2C)cc1 586965810 YQGJNMDBGDZVMU-UHFFFAOYSA-N 369.881 4.613 0 1 FJAF Cc1nccc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587149380 GPHWYVRUPRFCMB-IBGZPJMESA-N 351.356 4.713 0 1 FJAF C/C=C/COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400884 SETQYAABHSOEKW-NVIZVJJSSA-N 365.473 4.889 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cc(Cl)nc1Cl)[C@@H](C2)C3=O 587419450 FAQZHFQXLNHWAQ-VXJOIVPMSA-N 370.619 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCCC(C)C)c1)[C@@H](C2)C3=O 587442533 QCUKXRAOGRGTNG-AVRDEDQJSA-N 352.430 4.609 0 1 FJAF COc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587515218 MDUMQMJMMWFOFM-NRFANRHFSA-N 359.425 4.829 0 1 FJAF COc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S 587530046 AQZVDAQYUBVZPL-NRFANRHFSA-N 354.471 4.743 0 1 FJAF COc1ccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2c1 587534224 BVXDMCDCBDHRNH-GOSISDBHSA-N 365.454 4.890 0 1 FJAF CCCC[C@@H](CC)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587555500 OWPHIMMLFWQWQG-CQSZACIVSA-N 367.449 4.698 0 1 FJAF CC1(C)CC(C)(C)[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604648 VAEOPTRPPPEURT-HTAPYJJXSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Cl)c2)N1 587705849 ZRKIXLZDAYSNIF-ZKANADHPSA-N 370.649 4.571 0 1 FJAF Cc1c(F)ccc2c1[C@@](C)(c1cc(Br)cc3cc[nH]c13)NCC2 962142039 DOMQTKWPNUNMJP-LJQANCHMSA-N 373.269 4.787 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]2(c1cc(F)ccc1C)C(F)(F)F 963269034 DMBOWSSKDIIKKK-KRWDZBQOSA-N 373.777 4.748 0 1 FJAF N[C@@H]1CO[C@@H](CCCCCCCCCCCOCC2CCCCC2)[C@H]1O 1772625269 FVDIITVBXQCLEM-FSSWDIPSSA-N 369.590 4.571 0 1 FJAF CC(C)=CCC/C(C)=C/Cn1cc(CSc2ccccc2C(=O)O)nn1 1857577943 GDXBOMQRXHBUOM-LFIBNONCSA-N 371.506 4.961 0 1 FJAF CCc1cn(CCOc2ccccc2)c(-c2cc3sccc3n2C)n1 1911585159 OABHGVRMKPSCJN-UHFFFAOYSA-N 351.475 4.745 0 1 FJAF CC(C)=C[C@@H](O)CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 2356429110 KIBSPHPOWGOQIS-QGZVFWFLSA-N 354.402 4.582 0 1 FJAF CC(C=C[C@]1(C)[C@@H](C)CCC(=O)[C@@H]1C)=CCc1c(O)cc(C)c(C=O)c1O 2356495996 AQCKKGIVKOHRLM-HKARXFIJSA-N 370.489 4.905 0 1 FJAF CC(=O)O[C@@]1(C)CC[C@H]2O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@@]2(C)O 2356600936 DVOLXISDJJZOLW-MBDNFAEBSA-N 364.526 4.710 0 1 FJAF COc1ccc2c(c1)OC[C@H]1c3ccc(OCc4ccccc4)cc3O[C@@H]21 6484848 HJOWUMBTYPBLOG-REWPJTCUSA-N 360.409 4.884 0 1 FJAF S=c1oc2ccccc2n1CCCCN1CCN(C2CCCCC2)CC1 29134301 FIQKIWMXLKEGEM-UHFFFAOYSA-N 373.566 4.694 0 1 FJAF Cc1cccc(C)c1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66263953 YEIQLAVHTDEMSC-NBOCOGBRSA-N 363.501 4.922 0 1 FJAF O=C(O[C@H](Cn1ccnc1)c1ccccc1)c1cccc(C(F)(F)F)c1 73198148 IQZPYAAZCSKUKU-QGZVFWFLSA-N 360.335 4.500 0 1 FJAF CCC(CC)Oc1cc(N2C(=O)OC(=C(C)C)C2=O)c(F)cc1Cl 103290459 WGACZWNDTCGWPI-UHFFFAOYSA-N 355.793 4.824 0 1 FJAF CCSc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332018 DLTBJFNKVNSDQJ-LJQANCHMSA-N 366.534 4.751 0 1 FJAF C[C@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1cccc(C(F)(F)F)c1 117736362 OTJIZLKGGQWOTK-BBRMVZONSA-N 362.395 4.525 0 1 FJAF O=C(O)c1c[nH]c2cc(F)c(-c3ccc(C4CCOCC4)cc3)c(F)c12 219360191 LANSNXCRUOUMHQ-UHFFFAOYSA-N 357.356 4.705 0 1 FJAF COC(=O)[C@@]1(C)CCC=C2[C@H]1CC[C@@H](C)[C@]2(C)CC/C(C)=C/COC=O 238764306 DZICGSYWAZOKHD-MYXHROJQSA-N 362.510 4.838 0 1 FJAF Cc1cc(N(C)Cc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 473086972 DOAOUNZHTCSESY-UHFFFAOYSA-N 374.271 4.585 0 1 FJAF CCOC(=O)[C@@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587106647 MPIUMTSAYYLCEO-SUMWQHHRSA-N 371.436 4.990 0 1 FJAF CCOC(=O)c1ccc2nc([C@@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171635 QVWMSPYLTJCGII-LBPRGKRZSA-N 358.438 4.775 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(C)(C)C 587204602 KVXYBEKIWUWTOY-CYBMUJFWSA-N 369.868 4.837 0 1 FJAF O=C1C[C@@H](c2c[nH]nc2-c2ccccc2F)Oc2c1ccc1c2CCCC1 587504117 MSKXEFLOZWFJAD-FQEVSTJZSA-N 362.404 4.801 0 1 FJAF Cc1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587496 GTAKJYFZSCKJBC-NFBKMPQASA-N 371.392 4.885 0 1 FJAF CCc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604850 ZKWLYUIPKWUSDQ-NZQKXSOJSA-N 360.409 4.966 0 1 FJAF CC(C)c1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587609788 DITRFVQTWYUNCL-QFBILLFUSA-N 367.426 4.675 0 1 FJAF CC(=O)c1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623018 WQUZRMZFUSNRJV-UHFFFAOYSA-N 372.197 4.815 0 1 FJAF COc1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc(OC)c1O 587786228 RWKNNSIXFJLYTJ-UHFFFAOYSA-N 372.730 4.625 0 1 FJAF CCC1(CC)[C@H](OC)C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807540 DNXPUHHXOLWWRJ-LSKLOWJMSA-N 370.306 4.543 0 1 FJAF C/C=C\[C@]1(c2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587815046 JVAYRQFGCOFFSD-BFUKVBGUSA-N 360.270 4.942 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587818539 ILOPIXBKEZRLNQ-PAKRVPSDSA-N 350.275 4.550 0 1 FJAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587961425 FTFNFLJHAOMSKW-YUMQZZPRSA-N 364.289 4.758 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCCOc3c(F)cc(F)cc32)N1 962947596 NWGBIHNVQDCPPB-PEBXRYMYSA-N 368.427 4.787 0 1 FJAF Oc1ccc(OC(F)(F)F)c([C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963101858 MFDPQJRXEWWJMV-SCLBCKFNSA-N 367.342 4.540 0 1 FJAF CC(C)c1ccc(OCCOc2ccc3nc(O)n(C(C)C)c3c2)cc1 1857547715 QWQJGZQGIBSUSS-UHFFFAOYSA-N 354.450 4.904 0 1 FJAF Cc1ccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)cc1 1857586520 WYQJUVQXBNDEJP-UHFFFAOYSA-N 351.837 4.853 0 1 FJAF FC(F)(F)c1cncc(-c2ccc3nccc(-c4ccncc4)c3n2)c1 1857638082 KVPIFXOWUJYTEF-UHFFFAOYSA-N 352.319 4.773 0 1 FJAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCc1ccccc1F 775927 WCLVOZZNIZFIJP-UHFFFAOYSA-N 352.409 4.708 0 1 FJAF COc1ccc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)cc1OC 1532031 JLJAVUZBHSLLJL-WRMVBYCNSA-N 372.461 4.806 0 1 FJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 13432177 PLWGJLHNBNMJOH-OHUMZHCVSA-N 372.505 4.764 0 1 FJAF biogenic COc1cccc(-c2ccc(NC(=O)c3ccsc3C(=O)O)c(F)c2)c1 13681616 GIUMGVUBDBDTDX-UHFFFAOYSA-N 371.389 4.513 0 1 FJAF in-vivo CN(C)[C@@H]1CCC[C@@H]1N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 28237110 LQQGYJZSCKRXFJ-CVEARBPZSA-N 367.276 4.716 0 1 FJAF CCCN[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 28346255 GWZRAKXYBMTKCM-XMMPIXPASA-N 356.469 4.543 0 1 FJAF C[C@@]1(C2CCCC2)Cc2cc(OCCC(=O)O)c(Cl)c(Cl)c2C1=O 34113123 AUTFNONVCZXNFD-SFHVURJKSA-N 371.260 4.782 0 1 FJAF CC[C@]1(C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H](C)C1(Cl)Cl 103272523 MWDQYFKQDWNBMC-YMTOWFKASA-N 369.119 4.872 0 1 FJAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@@H]4C[C@@H]3C4(C)C)ncn2)cc1 104930456 RINBHRNIRDMPQP-DAYGRLMNSA-N 353.466 4.762 0 1 FJAF CCCC1(c2nc3c(Br)cnc(Br)c3[nH]2)CCC1 586877880 UPEOSPZOKZRZAR-UHFFFAOYSA-N 373.092 4.705 0 1 FJAF N=c1[nH]c(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cs1 587020776 FKJVBPNZSZNDNR-UHFFFAOYSA-N 360.364 4.785 0 1 FJAF Fc1cc(Br)c2[nH]c(CSCc3ccsc3)nc2c1 587027176 QEWZHNQYROVVBO-UHFFFAOYSA-N 357.273 4.959 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115176 HAJSVXMZETUOGU-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(F)cc(Br)c2[nH]1 587148434 ABKMDKCYPPVVSS-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF Cc1cc(F)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587221311 VUXFADRJEBAMBJ-IBGZPJMESA-N 359.404 4.530 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)c(F)c1F)CC2=O 587466520 OEMSAOJJXVXHRT-CQSZACIVSA-N 354.299 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N1CCCC1)CC2=O 587474279 GDBORNIOJWLKQK-NRFANRHFSA-N 351.446 4.651 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1F 587556072 IRQJPWUDJUWGMM-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF Cc1ccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2c1 587592417 YOHXHXWNJVJQBW-REWPJTCUSA-N 371.392 4.885 0 1 FJAF C[C@]1(c2ccc(S)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610677 DMPWRFXZAQSAGX-WIYYLYMNSA-N 364.422 4.558 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(S)cc2)N1 587847414 XMXSOVXURHJNJF-QGHHPUGFSA-N 366.299 4.675 0 1 FJAF O[C@@](c1ccccc1)(c1nc(-c2cc(F)cc(F)c2)cs1)C(F)(F)F 61907227 XEOZFFFLVXXBDJ-INIZCTEOSA-N 371.330 4.887 0 3 FJAF CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2ccccc12 28707912 TZBUOABVIGYODT-UHFFFAOYSA-N 358.488 4.697 0 1 FJAF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccs1 29554284 MWZFSVMDXHMRHG-UHFFFAOYSA-N 373.441 4.596 0 1 FJAF O=C(c1ccccc1Br)n1ccnc1-c1ccc(Cl)cc1 43065829 HIJGSEDRWZKYTO-UHFFFAOYSA-N 361.626 4.655 0 1 FJAF CN1C[C@@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@H]2CCCC[C@@H]21 64513507 DSUFLXVZHYLIGK-SDHOMARFSA-N 373.496 4.925 0 1 FJAF C[C@@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 73295485 NILYCQSOTHNHKV-QGZVFWFLSA-N 364.829 4.529 0 1 FJAF OC1=NC(=S)S/C1=C\C=C\c1ccccc1OCc1ccncc1 96906490 CSDQWCSZQFVOCO-JLJGJNDSSA-N 354.456 4.546 0 1 FJAF CC1(C)c2cc(OCCn3ccnc3)ccc2C(=O)c2c1oc1ccccc21 116890385 YWPKWEJLYNKOPW-UHFFFAOYSA-N 372.424 4.579 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@H]1COCC1CCCCC1 169321628 MCXWYACNYOTKNC-PAGOWVGESA-N 350.499 4.578 0 1 FJAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 169346084 BLOLSIOUOOBUTD-OFHOQENRSA-N 371.527 4.516 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586881835 ZLMILANEUNWEGM-RAXLEYEMSA-N 370.408 4.907 0 1 FJAF CC(C)Oc1cc2nc([C@@H]3CCCC(=O)CC3)[nH]c2cc1Br 586884155 LBPRMJHBVLYOFR-LLVKDONJSA-N 365.271 4.729 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccc4c[nH]nc34)nc3ccc(O)c1c23 586989422 ILFLVYUTRWRELX-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF C[C@@H](c1nc2cncc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587098837 XKRFFIXWQHAYHH-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](C)C1 587108230 XPNDQGNNCPLTTI-UONOGXRCSA-N 371.436 4.675 0 1 FJAF FC(F)(F)c1nn(Cc2nc3cc4ccccc4cc3[nH]2)c2c1CCCC2 587119588 FKDICONCKSPEKK-UHFFFAOYSA-N 370.378 4.859 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1c(F)cccc1F)O2 587382433 RCXWUTYVOUIHIQ-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4cc(C)ccc4C)c1)[C@@H](C2)C3=O 587430255 GDIXQJQVNWTIGI-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(C)C)cc1Cl)CC2=O 587459672 CNWJLPWHNGFQSH-LJQANCHMSA-N 359.853 4.771 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)cc(F)c1F)CC2=O 587464793 ACQMAEZLDYJQOP-LJQANCHMSA-N 350.336 4.643 0 1 FJAF Cc1nccn1-c1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511760 IPHXJMGLYSUEBK-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587602044 IJDMQLKVRDSKQK-OFNKIYASSA-N 360.409 4.886 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2occc12 587618560 USYGEEFHEHGQQH-KNQAVFIVSA-N 358.349 4.841 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2o1 587619821 ZPGWDCFVHNFFPI-KNQAVFIVSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@@H]2C2CC2)N1 587824401 VVOHCLLMAHTTFY-YRILPIOLSA-N 352.291 4.918 0 1 FJAF Brc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2n1 587959725 SXMUBTOHMZSWPB-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 962943271 GKBXEAOYKBCXGP-KBXCAEBGSA-N 372.390 4.927 0 1 FJAF CCCCSc1ncc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cn1 963118589 ZSUBOUUBZGTMOH-LPHOPBHVSA-N 357.498 4.618 0 1 FJAF CC=C[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@@H]2C 2356437149 IOUYXYGRBKBIAU-JBISBCIJSA-N 361.526 4.855 0 1 FJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@@H](Cc5ccc(O)cc5)C4)(C[C@@H](N)[C@H]31)O2 2356499354 BZCXVPHXXDEZKB-BMLWVUQQSA-N 369.549 4.806 0 1 FJAF Cc1ccc(-c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)co2)cc1 72100982 SGBGSUIBGNWNOJ-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF Oc1cccc(CN2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)c1 73224821 ZDNKDZPPXUTBAP-UHFFFAOYSA-N 374.484 4.502 0 1 FJAF CSc1ccc([C@@H](O)c2nnc(Nc3ccccc3Cl)s2)cc1 82078211 JSBTWIIDDROCQD-CQSZACIVSA-N 363.895 4.739 0 1 FJAF CC(C)C[C@@H](O)c1nnc(Nc2ccc(OCc3ccccc3)cc2)s1 82078214 BKMQIJZVUQPHAO-GOSISDBHSA-N 369.490 4.940 0 1 FJAF COc1cncc(-c2nccc3[nH]nc(-c4cccc(C(F)(F)F)c4)c23)c1 82078878 DUNRKFUMCOYKRM-UHFFFAOYSA-N 370.334 4.714 0 1 FJAF Cn1cc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)nccc3[nH]2)cn1 82082585 BNLWYFFXFIRBIS-UHFFFAOYSA-N 357.339 4.726 0 1 FJAF CSc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 101335549 SAYYVEPDGUTVKI-MAUKXSAKSA-N 360.866 4.832 0 1 FJAF CC(C)(C)c1c[nH]c2cc(NC(=O)c3c[nH]c4ccccc4c3=O)ccc12 113737111 WZDRQXORFYIGGS-UHFFFAOYSA-N 359.429 4.559 0 1 FJAF O=C(/C=C/c1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 145059650 QTBUBOFCXCXKDA-NJGYHNCTSA-N 352.821 4.534 0 1 FJAF CN1[C@H]2CC[C@H]1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 254120102 QWGVIOYTQRTWPO-MHORFTMASA-N 359.876 4.553 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586891706 UZSFTYUTHDFRCC-MGPLVRAMSA-N 352.331 4.866 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4c(Br)cncc4[nH]3)cc2)o1 586903389 PBVBMDOODDXJHS-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048682 JHAPPOXXQGBLSN-YNHOBRIKSA-N 361.232 4.865 0 1 FJAF Cc1ccc2c(ccc3nc([C@@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c32)n1 587075626 FTVARQBRWWIWEW-SFHVURJKSA-N 362.820 4.690 0 1 FJAF OCc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124169 IVSSFEQBXOKISK-YWEYNIOJSA-N 350.365 4.838 0 1 FJAF Cc1ccnc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587127907 BTFUVMCDDUQICJ-LURJTMIESA-N 361.730 4.601 0 1 FJAF NC1CCC(c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)CC1 587256255 COSNKGSKUSVMER-UHFFFAOYSA-N 351.294 4.585 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(F)c1)(c1ccccc1F)O2 587384607 FWUBVSDEPVSWCE-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@@H]1C[C@@H]4C=C[C@H]1C4)[C@@H](C2)C3=O 587445983 QVEWIINCVZGJGF-IYPJOQSJSA-N 358.437 4.550 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Cl 587558666 SREOAWJFLRKAQA-XLIONFOSSA-N 370.763 4.888 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)c1 587604011 TYEYHDXXGJHNLR-REWPJTCUSA-N 360.409 4.886 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)cc2F)N1 587714386 FJHBKIXDTLAFSJ-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF CCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814290 GSXBAJQWOOAABC-BLVKFPJESA-N 362.286 4.948 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3c2CCC3)N1 587816689 ZZBDKWSGAHQSIY-FKIZINRSSA-N 374.297 4.875 0 1 FJAF Cc1cc2c(n1-c1nn(COc3ccccc3F)cc1Cl)CCCC2 587945855 PFWZVMDBDJRQJK-UHFFFAOYSA-N 359.832 4.690 0 1 FJAF COC(=O)C=C(C)CC[C@@H]1[C@H](C(=O)OC)CC[C@@H]2C(C)(C)CCC[C@]12C 2356587032 WDMMGTWRGDEGNH-OZQHCQBDSA-N 364.526 4.918 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@H]2CC[C@@]3(C)C=C[C@@]12C3 2356624339 BDOAWQRZWHQUEM-PVHSXGAPSA-N 360.494 4.582 0 1 FJAF O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2ccnc3[nH]ccc23)C1 2382224228 LEDMFKVVMMVZFP-OAHLLOKOSA-N 365.502 4.523 0 1 FJAF COc1ccc2[nH]cc(CCNc3cc(-c4ccccc4C)ncn3)c2c1 4266139 KNFWSOQBHLPKEI-UHFFFAOYSA-N 358.445 4.597 0 1 FJAF CC(C)=CCc1c(O)c(C(=O)CC(C)C)c2oc(=O)cc3c2c1O[C@H](C)C3 13461819 PSLCLCSSZBRNPD-CYBMUJFWSA-N 370.445 4.560 0 1 FJAF biogenic CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 13672618 YWKNRYHANZDVCM-JFYQVNSESA-N 350.506 4.815 0 1 FJAF COC(=O)[C@H](c1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 26820217 PFQISMRUXMIYPF-JOCHJYFZSA-N 360.409 4.504 0 1 FJAF O=C(Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1)N1CCCC1 28826583 VEXLNIRUECRPJS-UHFFFAOYSA-N 353.205 4.775 0 1 FJAF O=C(c1ccc[nH]1)[C@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424156 VZXSJUJGEIQSNE-OAQYLSRUSA-N 368.392 4.859 0 1 FJAF CCCC[C@H](C)OC(=O)c1cc(CO)cc(C(=O)O[C@@H](C)CCCC)c1 40972576 PPYAACOSKDYFTQ-HOTGVXAUSA-N 364.482 4.650 0 1 FJAF CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)c(F)c1 72109958 PCJNAMBTUJABGN-KRWDZBQOSA-N 370.449 4.785 0 1 FJAF CCOc1ccc(-c2nc(CN[C@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 72181662 UYYNNPPQRIBMQK-NVRFMJDISA-N 354.494 4.901 0 1 FJAF Cc1ccccc1[C@H](O)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 82078385 ONYHTMJAMLPLAV-AWEZNQCLSA-N 365.380 4.691 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 96914426 SWHDATMWMYPGIY-UHFFFAOYSA-N 353.765 4.697 0 1 FJAF Cc1nc(N2CCCCC2)c2nc(Cc3cccc(C(F)(F)F)c3)cc-2[nH]1 100867637 FISNVWSCGJNCMP-UHFFFAOYSA-N 374.410 4.818 0 1 FJAF O=C(/C=C/c1ccccc1)n1ccc2cc([125I])ccc21 102004088 BYGZFMHGQICMIH-DETBOVQPSA-N 371.194 4.600 0 1 FJAF Cc1cn(Cc2ccc(O)c(C(C)C)c2)c2c(C)cc(OCC(=O)O)cc12 299856088 HOXBAMMKYXXSDU-UHFFFAOYSA-N 367.445 4.599 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(-c4ccsc4)cs1)[C@@H](C2)C3=O 587454000 VVDULEYWWJJRDD-LIRRHRJNSA-N 354.452 4.974 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(C(F)(F)F)cc1 587650497 YFUFCDXIDPDYNO-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2F)N1 587723729 BZWOEOLYRTVSRX-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF CC(C)c1csc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587854823 UFEQZPYRDLBOQW-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 587960262 XHUKZCBGGZAZTR-UHFFFAOYSA-N 360.388 4.966 0 1 FJAF COc1ccc2c(c1)[C@@H](c1csc(-c3cccnc3)n1)N(C(C)C)CC2 962095161 YDNJVQCWULULLO-FQEVSTJZSA-N 365.502 4.570 0 1 FJAF Cc1c(F)ccc2c1[C@@H](c1cccc(Br)c1Cl)NCC2 962298647 NHCQLGDHERGALL-MRXNPFEDSA-N 354.650 4.785 0 1 FJAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@H]1Cc2cc(C(=O)O)ccc2O1 2356533427 FEWBLKHNHHTXBA-IFMALSPDSA-N 358.478 4.912 0 1 FJAF CN1CC[C@H](c2ccc(Cl)cc2)[C@@H](c2nc(-c3ccccc3)no2)C1 26179872 BFZBAJONTVXMLR-MSOLQXFVSA-N 353.853 4.593 0 1 FJAF CNc1ccc(S(=O)(=O)Oc2c3ccccc3cc3sccc23)cc1 28826845 GUABGPBWIUKNFP-UHFFFAOYSA-N 369.467 4.864 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ccccc3)C[C@H]2C1 29127836 NIKYPYAIHGCRMC-RDGATRHJSA-N 358.529 4.865 0 1 FJAF CCCCCC[C@@]1(C)NC(=N)NC(=N)[C@H]1c1ccc(Cl)c(Cl)c1 45209702 IWCHSUVCEDNRLB-RHSMWYFYSA-N 355.313 4.911 0 1 FJAF COc1ccc(OC)c(-c2cc(N[C@H]3C[C@H](C)CC(C)(C)C3)ncn2)c1 82162342 OHKHEADTDAWDIX-GJZGRUSLSA-N 355.482 4.788 0 1 FJAF CCc1ccc(OC(=O)c2cn(-c3ccccc3)nc2-c2ccncc2)cc1 98083324 QCZLLDIPMUQCKZ-UHFFFAOYSA-N 369.424 4.716 0 1 FJAF CCOC1(OCC)[C@H]2c3ccccc3[C@@H]([n+]3ccccc32)C1(CC)CC 100714668 PTYZTAQVAYKDIW-LEWJYISDSA-N 352.498 4.598 0 1 FJAF O=C(CCCN1C[C@@]2(c3ccccc3)CCC[C@H]1C2)c1ccc(F)cc1 101212851 UWWYOMKUHZCSGM-JTHBVZDNSA-N 351.465 4.985 0 1 FJAF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1ccccc1Cl 103196430 ZSCOVLYHKIBPJC-SFHVURJKSA-N 372.902 4.956 0 1 FJAF Cc1ccn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc2n1 113656337 UHNOLIYOGJZRNT-UHFFFAOYSA-N 354.457 4.710 0 1 FJAF O=C1NCCc2nc(-c3ccccc3)cc(Nc3cccc4ccccc34)c21 116991380 QLPSDYKTPWYQJI-UHFFFAOYSA-N 365.436 4.931 0 1 FJAF COc1cccc2c(-c3ccc4c(c3O)[C@@H](C)N[C@H](C)C4)c(C)cc(O)c12 166332157 FFCNRMUGVLXZTG-ZIAGYGMSSA-N 363.457 4.830 0 1 FJAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)cc1 169365750 QGPBRSDGYQTSKG-OYNPSCLESA-N 369.892 4.820 0 1 FJAF COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1N 203387878 NNIHZORVAXIZAJ-UHFFFAOYSA-N 371.440 4.548 0 1 FJAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1O 586989892 AHEQMDYRYQCQFY-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2n1 587004841 ZRTZGLHAGJNNNF-UHFFFAOYSA-N 370.254 4.561 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)cc(F)cc2[nH]1 587071642 MFNMQXABFWMPNN-UHFFFAOYSA-N 367.605 4.543 0 1 FJAF O=C(c1ccc(F)cc1)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587102581 AWCPZLOFKNCGID-UHFFFAOYSA-N 353.352 4.816 0 1 FJAF Cc1ccc2c(ccc3nc(-c4ccc(C(F)(F)F)cc4C(=O)O)[nH]c32)n1 587109380 NZUSRHKJTYGCLG-UHFFFAOYSA-N 371.318 4.804 0 1 FJAF Cc1c(Cl)ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 587109560 YKIWVLLONSWHNO-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF CCOc1cc(/C=C\c2nc3cc(Cl)ncc3[nH]2)ccc1OC(F)F 587129937 HNKZXRSNUMWNEJ-XQRVVYSFSA-N 365.767 4.782 0 1 FJAF C[C@@H]1c2ccccc2C[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587356062 YYQWPSRTYFKAES-QQFWFLOESA-N 374.411 4.989 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)c(F)c1)O2 587380424 DXNNMWLISFPSOX-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587421668 QWSUDCGVJFCQEJ-SJCJKPOMSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(OCC3CC3)c1)CC2=O 587467904 UPZQLCASPYUZEC-FQEVSTJZSA-N 370.420 4.979 0 1 FJAF CC(C)[C@]1(C)CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602276 HMZWQBLVIBZRCW-BWAGFHJFSA-N 352.430 4.939 0 1 FJAF CC[C@@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587638064 KGIROEUGOHXLNY-GFCCVEGCSA-N 350.418 4.940 0 1 FJAF CCc1c(C)[nH]c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587795502 XWOLUHGJKSIUJA-DYBLOJMWSA-N 365.290 4.719 0 1 FJAF C[C@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccccc21 587817075 HVMDQXIMMJUARX-CRTZDJKQSA-N 360.270 4.873 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccoc23)N1 587828844 AGYHXUXJXOWDHM-BMLIUANNSA-N 360.226 4.958 0 1 FJAF CC[C@@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc(C)c(Cl)c1C 587873913 LPRSHMNILHKHKS-AWEZNQCLSA-N 374.803 4.553 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587935274 HOPADHVMSRQDCW-MRXNPFEDSA-N 367.811 4.939 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1ccc(F)cc1 653887492 GLOJXKHRBBEESB-YMPZKCBVSA-N 358.416 4.966 0 1 FJAF Cc1cc2c(cc1F)[C@](c1cc3ccccc3nc1N)(C(C)(C)C)NCC2 962094951 USKWTJFIZNIBKH-QHCPKHFHSA-N 363.480 4.700 0 1 FJAF Cc1ccc(Nc2nc(C)c([C@@]3(C)NCCc4c(C)ccnc43)s2)cc1 963073515 QMZNREPOVKXYGC-NRFANRHFSA-N 364.518 4.616 0 1 FJAF COc1ccc(Nc2nccc3[nH]c(-c4cccc(F)c4)nc23)cc1OC 74386223 NQABQWJKEXLQDA-UHFFFAOYSA-N 364.380 4.525 0 3 FJAF O[C@@H](c1ccc(Cl)cc1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 206023425 ZKLKLUJDOYGXMP-ZDUSSCGKSA-N 370.236 4.809 0 3 FJAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@@H]2CCCC[C@]32CCN1CC1CCC1 13560066 HEIQNYAVPBPIJD-DKZVUGQWSA-N 367.562 4.737 0 1 FJAF in-vivo CCc1cc(CC)n2nc(-c3ccc(O)cc3)c(-c3cccc(O)c3)c2n1 13584990 DKDBIDZJCFUZGJ-UHFFFAOYSA-N 359.429 4.599 0 1 FJAF CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(CO)cc2)c1 28523378 BDOZQGIPSDJVJJ-UHFFFAOYSA-N 369.852 4.619 0 1 FJAF c1ccc(C2(c3ccccc3)OC[C@@H](CCCCN3CCCCC3)O2)cc1 28816337 AFVKOUNKXYZIPI-HSZRJFAPSA-N 365.517 4.959 0 1 FJAF C[C@@]1(Cc2cccc(C(=O)Nc3ccccc3N)c2)Cc2ccccc2C1=O 28824226 CLBOJPLZHSTGFL-XMMPIXPASA-N 370.452 4.509 0 1 FJAF COc1cccc(OC/C=C(\C)CC/C=C(\C)[C@H]2CC(=O)C(C)(C)O2)c1 29550321 HQVBXCZALKVWIP-KZNUJNJSSA-N 358.478 4.883 0 1 FJAF O=c1oc2ccccc2c2c1[C@H]1O[C@](c3ccsc3)(Cc3ccccc31)O2 36379210 SEGJAJKMRUZQIS-SIKLNZKXSA-N 374.417 4.762 0 1 FJAF Cc1cccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)c1 84633774 DYUMQBCAAHXVFF-UHFFFAOYSA-N 372.428 4.658 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152335 NNUZSHSDIMQZLW-QLPKVWCKSA-N 362.520 4.578 0 1 FJAF O=C(O)c1cccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)c1 144727490 UIOCSAZLSXQDLB-HXUWFJFHSA-N 370.326 4.830 0 1 FJAF Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)[C@@H]1[C@@H]2c1ccccc1 169687760 QIEXRHSKXRPESV-YADHBBJMSA-N 355.441 4.903 0 1 FJAF CCN(CC)C[C@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253678319 TXNFYPIAXHMYBE-JXXFODFXSA-N 357.929 4.835 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2c(Br)ccnc2[nH]1 586897031 VUDQHFSPIXEGQY-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF O=Cc1ccc(OCc2occc2-c2nc3ccc(Cl)cc3[nH]2)cc1 586900848 NSGAHRKPOOZFIB-UHFFFAOYSA-N 352.777 4.868 0 1 FJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2cc(Cl)cc(C)c2[nH]1 586972206 FAUMTHWGUYBTIK-KRWDZBQOSA-N 373.909 4.635 0 1 FJAF COc1c(F)cccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987095 SANYNFYJHLNHNK-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Fc1c(F)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(F)c(F)c1S 587133747 BDSUOTUUDZQYCR-UHFFFAOYSA-N 368.142 4.777 0 1 FJAF O=C(O)c1ccc2nc([C@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149276 KEUUKCQKQHNVMD-LJQANCHMSA-N 361.376 4.602 0 1 FJAF Cc1c(O)ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587206406 KLSYSCQMZGGWMD-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1cc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1F 587217791 GBOIQFHAHFJOJO-FQEVSTJZSA-N 359.404 4.530 0 1 FJAF Nc1ccc2oc(-c3nc4cc(Cl)cc(Br)c4[nH]3)cc2c1 587251957 PDBUKCRFFRFGIQ-UHFFFAOYSA-N 362.614 4.974 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3cccc(Cl)c3)no1)O2 587379816 XBFRGFUELORZQW-KRWDZBQOSA-N 354.793 4.592 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(F)c3C)o1)O2 587382159 OXIADSQSYYFSHI-FQEVSTJZSA-N 351.377 4.991 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587429830 DIGICJCXQUMNMO-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(F)c3n1)CC2=O 587470157 DTPPAIXNZUZSIL-IBGZPJMESA-N 351.377 4.739 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)ccc1OCC)CC2=O 587479180 LOBAQRIBCMHIHC-NRFANRHFSA-N 370.445 4.849 0 1 FJAF O=C1C[C@@H](c2cccc(-c3ncccn3)c2)Oc2c1ccc1c2CCCC1 587514161 GZEBYMXWUSVNQD-NRFANRHFSA-N 356.425 4.729 0 1 FJAF C[C@H](c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598036 AGCAHZZSYXTHEY-ZFUCPZCZSA-N 360.409 4.916 0 1 FJAF CC1(C)[C@H]2CC[C@](C)(C2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604023 QOBOPKIQJOSIHE-LAHPKLRZSA-N 364.441 4.939 0 1 FJAF CCCCn1nc(-c2ccc(OCC)c(OCC)c2)c2ccccc2c1=O 587670425 YFWYCVSWXZVIHQ-UHFFFAOYSA-N 366.461 4.661 0 1 FJAF CCc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1 587876904 XZKUDILGNHVTHN-UHFFFAOYSA-N 374.375 4.436 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1cccc(O)c1 653882156 QSWYEANWSAACBW-YMPZKCBVSA-N 356.425 4.533 0 1 FJAF Cc1cc2c(cc1F)[C@@](CCc1ccccc1)(C(F)(F)Cl)NCC2 962092379 NAFBBSNOOAAYSH-SFHVURJKSA-N 353.815 4.940 0 1 FJAF CCSc1ccc([C@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1 963041764 YPFUFOWZFNYAAD-QFIPXVFZSA-N 364.514 4.765 0 1 FJAF COc1cc([C@@H](C)c2ccc(OC(F)(F)F)c(F)c2)cc(OC)c1OC 1857629466 WFJFFFKZFSLIKX-JTQLQIEISA-N 374.330 4.902 0 1 FJAF COc1cc(OC)cc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)n2)c1 1911571695 PDZTVTYSEFJJHH-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 28527718 UOQUGIWUWKCTLJ-FKEBYFGASA-N 350.506 4.815 0 1 FJAF C[C@@]1(CCCCCCC(=O)Nc2ccccc2N)Cc2ccccc2C1=O 28824224 JRVIPUHBRFZBKR-HSZRJFAPSA-N 364.489 4.993 0 1 FJAF CC(C)(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCNC2 84689931 MLIFQDQYCJICEY-UHFFFAOYSA-N 371.531 4.655 0 1 FJAF FC(F)(F)Oc1ccccc1-c1nnc(SCc2ccccc2)o1 95755276 HZVOIMRMGUXEBB-UHFFFAOYSA-N 352.337 4.928 0 1 FJAF CCSc1cc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC)c(C)o1 102388786 NPVIPADPDCXCJF-QGZVFWFLSA-N 361.463 4.681 0 1 FJAF COc1ccc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)c2ccccc12 142248998 YMPBCZWAOYIFHD-VQHVLOKHSA-N 361.485 4.947 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCCc1ccc(F)cc1 207807588 NMOXQLIAHHBBFP-LLVKDONJSA-N 357.208 4.686 0 1 FJAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@H](CC(=O)O)c1ccc(C(C)C)cc1 299855733 FXCLQYZAEAKOQB-GOSISDBHSA-N 371.477 4.955 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006055 AZAFHLPTUOMDMN-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF Clc1cccc(COc2ccc(/C=C\c3nc4ncc[nH]c-4n3)cc2)c1 587069653 FVUOGHAMVNYZQY-TWGQIWQCSA-N 362.820 4.707 0 1 FJAF Cc1ccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc2c1 587081027 JYTCUAZPOZKANK-UHFFFAOYSA-N 359.820 4.901 0 1 FJAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(Cl)cc2[nH]1 587174899 NQPJZTGPIFUJCM-ZDUSSCGKSA-N 363.223 4.733 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)cn1 587247940 YUVAIEQADWMSQH-UHFFFAOYSA-N 350.466 4.907 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc4ccc(Cl)c(C)c4[nH]1)[C@@H](C2)C3=O 587421697 WQNCJECGXWAXGK-RBZFPXEDSA-N 353.805 4.627 0 1 FJAF Cc1cccnc1-n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513381 RWDYQJLOSPBJDN-NRFANRHFSA-N 358.441 4.766 0 1 FJAF c1ccc(COCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587566379 JVFQSIDUSWCYBI-UHFFFAOYSA-N 358.441 4.901 0 1 FJAF C[C@@H]1C[C@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603041 KOTLOPBNOYFZCR-ZTWLPKFNSA-N 358.393 4.757 0 1 FJAF Cc1ccc(F)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587725384 CXOPWWMXHZTULT-BMLIUANNSA-N 352.222 4.659 0 1 FJAF CCN(CC)CC(C)(C)[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743661 XODMYAAMIUVRFM-YVEFUNNKSA-N 371.338 4.532 0 1 FJAF Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)c(F)c2)c1 653849326 YZMQISQFDHASPC-UHFFFAOYSA-N 369.392 4.694 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cccn2C[C@@H]2CCCO2)cc1 962658188 CCSCICKFZNPXFR-URXFXBBRSA-N 358.485 4.569 0 1 FJAF Cc1cc(O)cc(C)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 963000654 WETCFDBOTCMISB-OAQYLSRUSA-N 350.487 4.613 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(OC)c(OC)cc1F 963236197 XTLSRVCQUFKJIU-NYHFZMIOSA-N 357.469 4.763 0 1 FJAF c1ccc2[nH]c(-c3ccc([C@H]4NCCc5c4[nH]c4ccccc54)cc3)nc2c1 1772628453 KKOGSXOXARKZRG-JOCHJYFZSA-N 364.452 4.946 0 1 FJAF CCCCOc1ccc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1 1857606136 HLZJYTYSHNBDLX-UHFFFAOYSA-N 351.368 4.814 0 1 FJAF O=C(C=Cc1ccc(Br)cc1)Nc1cccc2cnccc12 1857623617 HEWSYCQXZBBREJ-UHFFFAOYSA-N 353.219 4.649 0 1 FJAF COc1cc(OC)c([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1 2382227541 ZMVSPUCPYUARLO-LERAUJRQSA-N 352.446 4.707 0 1 FJAF CC[C@@H](NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C)c1ccccc1 201476955 MIQDBUXTKOGTHX-JOCHJYFZSA-N 374.484 4.934 0 3 FJAF Oc1cc(Br)c2oc(-c3ccc(O)c(C(F)(F)F)c3)nc2c1 13583643 YLDACOWFAJBPMW-UHFFFAOYSA-N 374.112 4.687 0 1 FJAF CO[C@H]1OC[C@@H]2CCC([C@@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@H]12 14677487 ZACQAWRFBSMZEU-NQMQNBMNSA-N 350.499 4.639 0 1 FJAF CN(CCc1ccccc1)C(=O)CCc1ccc(OCc2ccccc2)cc1 27210875 PKUVAUFCTBOTLO-UHFFFAOYSA-N 373.496 4.899 0 1 FJAF COc1cc2ncnc(Nc3ccc(-c4ccc(N)cc4)cc3)c2cc1OC 95586346 QODYJQFEHLYSCG-UHFFFAOYSA-N 372.428 4.640 0 1 FJAF COc1cccc(-n2c(SC(C)C)nc3c4ccccc4nc-3c2O)c1 100705898 BKRCLYOUODFZJX-UHFFFAOYSA-N 365.458 4.740 0 1 FJAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(N)cc4)n[nH]c2-3)CC1 101115308 ZIVSIJBGXUGLSL-GSXCWMCISA-N 372.516 4.898 0 1 FJAF O=c1ccc2cc(OCc3cc(-c4ccccc4Cl)no3)ccc2o1 299824108 HPJAVJNFXCSDKR-UHFFFAOYSA-N 353.761 4.680 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586961221 GNYUREVVAOLOEB-SSDOTTSWSA-N 358.776 4.878 0 1 FJAF CSCC(C)(C)c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1 586968776 JFKPQEUKKCWJIV-UHFFFAOYSA-N 367.234 4.985 0 1 FJAF COc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2n1 586975995 REPZHKNPWFJMLC-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3ccc(F)c(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587061407 LMWNIXCXNZILDC-YJYMSZOUSA-N 371.843 4.741 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)ncc2[nH]1 587065854 AFWPGLJNQCXNNO-SECBINFHSA-N 366.646 4.822 0 1 FJAF Fc1cccc([C@@H]2C[C@@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587162632 XTSMJEYEYMWRCV-UWVGGRQHSA-N 366.621 4.784 0 1 FJAF Fc1ccc(-n2nnc(-c3nc4cc(Cl)cc(F)c4[nH]3)c2C2CC2)cc1 587168961 UDQVXEKEODMCJM-UHFFFAOYSA-N 371.778 4.620 0 1 FJAF O=C1c2ccccc2-c2cc([C@@H]3COc4ccccc4O3)nc3cccc1c23 587209611 QSLLWKHNYVSKLG-QFIPXVFZSA-N 365.388 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(Cl)ccc3n1C)CC2=O 587462685 QALHHLFSMGVHEF-GOSISDBHSA-N 370.836 4.591 0 1 FJAF Cc1cccc(NC(=O)C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512699 OICLQONIVQGXPA-QHCPKHFHSA-N 363.457 4.627 0 1 FJAF CC[C@@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727316 NTQPRPIXRUCJDF-VOJFVSQTSA-N 366.249 4.915 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccccc23)N1 587808499 ZLPWYUTXQXTJCS-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF O=C(Nc1ccc2cc[nH]c2c1)c1ccccc1NC(=O)C1CCCCC1 653619326 FLTSJUJXOYCUFM-UHFFFAOYSA-N 361.445 4.939 0 1 FJAF CCOc1ccccc1C[C@@H]1CN(Cc2ccc(Cl)cc2)CCCO1 1772577551 GQMISPKLZVOONX-HXUWFJFHSA-N 359.897 4.572 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)[C@H](C)Oc2cnccc2-3)c1 2382239161 XEXZHTMEICBSBN-CABCVRRESA-N 374.440 4.702 0 1 FJAF CCCNC(=O)[C@]1(C)CCCN(Cc2cccc(Oc3ccccc3)c2)C1 61905035 UFTWBVKANJGUAA-HSZRJFAPSA-N 366.505 4.607 0 3 FJAF O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1 3832264 YDUUIKKCZDDRLN-UHFFFAOYSA-N 373.460 4.801 0 1 FJAF Cc1cccc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1 4265901 OMQJAHMFLUOLBT-UHFFFAOYSA-N 369.424 4.946 0 1 FJAF Cc1cc(=O)n(Cc2cccc(Cl)c2)c2c1c(C)nn2-c1ccccc1 8016432 WVCLORDYAYMFDB-UHFFFAOYSA-N 363.848 4.506 0 1 FJAF O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccncc1 13556565 GTQZRHGFRCKOFM-UHFFFAOYSA-N 373.431 4.795 0 1 FJAF COc1ccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c2c1 14975786 JWKATRJTLFUZFN-UHFFFAOYSA-N 369.505 4.941 0 1 FJAF CCC(=O)N(c1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(C)C 28238652 NPZHJKWPFOHQLU-ZIAGYGMSSA-N 363.716 4.873 0 1 FJAF Cc1ncc2c(n1)-c1ccc(Cl)cc1[C@@H](c1ccccc1Cl)NC2 29344490 TWWXLUNHZAUPLK-LJQANCHMSA-N 356.256 4.951 0 1 FJAF Nc1cccc(/C=C/c2cc(Br)c(N)c(Br)c2)c1 58649611 KYCYQIDURIMUDR-SNAWJCMRSA-N 368.072 4.546 0 1 FJAF in-vitro Cc1cccc(-c2ccc3nnc([C@@H](C)c4ccc5ncccc5c4)n3n2)c1 96284614 HVLIYQXRRXBLOC-INIZCTEOSA-N 365.440 4.800 0 1 FJAF CSc1nc2n(n1)[C@@H](c1ccccc1Cl)C1=C(O)CC(C)(C)CC1=N2 103539310 CCDZAVWXDZWZGN-HNNXBMFYSA-N 374.897 4.961 0 1 FJAF O=C1NC(=O)/C(=C\c2cccc(OCCCc3ccccc3)c2Cl)S1 115792493 AXBWDICYDXVUOR-FOWTUZBSSA-N 373.861 4.676 0 1 FJAF Cc1cc(C)n2cc(CCc3nc(-c4cccs4)cn3C(C)C)nc2n1 117899897 FZXKTJYIBVRUJN-UHFFFAOYSA-N 365.506 4.637 0 1 FJAF Cc1c[nH]c2ccc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)cc12 205440130 KVXWDHUOLVPLHD-UHFFFAOYSA-N 374.444 4.629 0 1 FJAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccncc2)c1 218299218 FHMCPGZWXSKGLZ-OAQYLSRUSA-N 357.413 4.608 0 1 FJAF CCO[C@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(CO)=CCC[C@H]23)CO1 238732112 FBKNZLADDYQBKT-WTDUKYKXSA-N 350.543 4.937 0 1 FJAF Cc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1C 586914290 AZEOTTAQUDDFSQ-UHFFFAOYSA-N 358.397 4.948 0 1 FJAF O=C(O)c1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cs1 586994178 OTQJQKNTYYDWOS-UHFFFAOYSA-N 373.389 4.579 0 1 FJAF Clc1cccnc1-c1nc(-c2nc3ccc4ncccc4c3[nH]2)cs1 587016750 BTTWJYNFHOBGLL-UHFFFAOYSA-N 363.833 4.950 0 1 FJAF Nc1c(-c2nc3ccc(F)cc3[nH]2)sc2cc(Br)ccc12 587033665 ZNLRZZGHXWLPNR-UHFFFAOYSA-N 362.227 4.928 0 1 FJAF Cc1cc2nc(-c3ccc(-c4ccc(Cl)cc4)nc3O)[nH]c2c(C)n1 587076632 KXYFDGMJKTYUHK-UHFFFAOYSA-N 350.809 4.663 0 1 FJAF COc1ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(Cl)n1 587084025 ROEDFYWBWHJSGH-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF FC1(F)Oc2cc3nc(-c4cc5ccccc5c(Cl)n4)[nH]c3cc2O1 587086199 XCGMGKQGYXHOEP-UHFFFAOYSA-N 359.719 4.753 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2c(F)cnc(Cl)c2[nH]1)C1CCCC1 587226803 TUMMZXDQPJWYLN-LLVKDONJSA-N 368.840 4.506 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@H](C3CC3)C2)[C@@H]1c1ccc(F)cc1 587351851 LAVYJKRCRXZECL-GNSUPJDDSA-N 352.405 4.839 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Cl)nc1Cl)CC2=O 587461875 NSGBMXYBAOQSMW-SFHVURJKSA-N 366.244 4.927 0 1 FJAF Cc1cc(C)n([C@H]2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)n1 587515675 OAKWAVNPWLGRRA-MBSDFSHPSA-N 364.489 4.898 0 1 FJAF COc1cc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587521402 BZSJCZYSDGOISV-HSZRJFAPSA-N 366.457 4.636 0 1 FJAF CCc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587819593 VJXOLTUGWRNOGF-MPBGBICISA-N 374.297 4.875 0 1 FJAF COC(=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956333 XGIBJYQQBUTVAR-LJQANCHMSA-N 356.425 4.724 0 1 FJAF CCn1ccc2ccc([C@@H]3c4cc(OC)c(OC)cc4C[C@@H](C)N3C)cc21 962577120 VQDWNVGBYVUMGY-IQMFZBJNSA-N 364.489 4.644 0 1 FJAF COc1ccc(-n2c([C@@H](OC(C)(C)C)C(=O)O)c(C)c3ccccc32)cc1 1857575877 PDVIKDBXKUUQAM-HXUWFJFHSA-N 367.445 4.888 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](F)c2ccc(F)cc2)CC1 1857578037 ZAQBCQUSUXCHKR-OAQYLSRUSA-N 372.459 4.744 0 1 FJAF CCCN1CCc2nc(Nc3ccc(OCc4ccccc4)cc3)ncc2C1 1857611594 CBAYAHSDYNYSIQ-UHFFFAOYSA-N 374.488 4.567 0 1 FJAF O=C(NCc1ccccc1)c1cccnc1Oc1cccc(C(F)(F)F)c1 13860728 UNBQKBYWCORREK-UHFFFAOYSA-N 372.346 4.823 0 1 FJAF CCC(=CCN1Cc2cc(C(C)(C)C)cc3[nH]c(=O)n(c23)C[C@@H]1C)CC 27887580 FVKCRHQTMWVNGN-HNNXBMFYSA-N 355.526 4.578 0 1 FJAF Cc1cc([C@H](c2ccc(C3CCCCC3)cc2)N2CCN(C)CC2)sn1 28254574 WPOPQUJLKPNWJA-QFIPXVFZSA-N 369.578 4.836 0 1 FJAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 40954640 AXPWNFAVTPIWHV-QIDMFYOTSA-N 366.892 4.836 0 1 FJAF in-vitro CCc1ccc(C(=O)N[C@H](C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103183422 NXNWPCHOVFXSTI-OAQYLSRUSA-N 351.490 4.893 0 1 FJAF CC(=O)O[C@@H](CC[C@@H](C)[C@@H]1CCC(C)=C[C@H]1O)[C@](C)(O)CCC=C(C)C 103231979 APHIXPILELNTEX-KMKNWIINSA-N 366.542 4.549 0 1 FJAF Cc1ccc([C@@H](NC(=O)c2c(C)cccc2C)C23CCC(CC2)CN3C)o1 140960852 HGOOAHFAWANHJW-JRSYVHTFSA-N 366.505 4.550 0 1 FJAF O=[S@](CC[C@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299859979 ISFOFKJYSXPBPW-CFMSYZGJSA-N 362.225 4.530 0 1 FJAF CCc1noc(C)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989246 CLIZCJKZJNVMPK-UHFFFAOYSA-N 356.381 4.678 0 1 FJAF FC(F)(F)c1ccc(-c2nc3nc(Cl)c[nH]c-3n2)c(C(F)(F)F)c1 587095064 OUEANGSBVPZLEJ-UHFFFAOYSA-N 366.652 4.663 0 1 FJAF CCCc1nc(-c2nc3cc(Cl)ccc3[nH]2)nn1-c1ccccc1F 587155260 CFYGKRPKWCLSBK-UHFFFAOYSA-N 355.804 4.556 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(c1cccs1)[C@@H](C2)C3=O 587428387 MUGSJWTZQPBPDY-KKSFZXQISA-N 366.413 4.587 0 1 FJAF O=C1C[C@H](c2cc(F)ccc2-n2cccn2)Oc2c1ccc1c2CCCC1 587507119 UHOWGHIYPWOMHY-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587611632 HGLJUWUSSSKDRR-RXVVDRJESA-N 364.422 4.817 0 1 FJAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccccc1F 587629651 VNXGTMMVUBRSMV-UHFFFAOYSA-N 363.747 4.507 0 1 FJAF O=C(c1cc2c(ccc3ccccc32)o1)n1ncc2ccc(Cl)cc2c1=O 587651458 ADBMCZJQMWZECS-UHFFFAOYSA-N 374.783 4.638 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cn(C)c3ccccc23)N1 587755624 IDYDDHGCVGWFSO-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(F)cc(Br)c3[nH]2)c1 587932844 WIPHSNZWYRWPNF-SNVBAGLBSA-N 363.230 4.819 0 1 FJAF O=C(O)CCCCCCCCCCCCc1nc2c(Cl)ncnc2[nH]1 587957442 ZZGUHIPOAMXJIR-UHFFFAOYSA-N 366.893 4.925 0 1 FJAF CCCCCn1cc(COc2ccc3cc(Br)ccc3c2)nn1 1772592740 WAXDOGPEVOSYPP-UHFFFAOYSA-N 374.282 4.963 0 1 FJAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773405 BZSPLMZJBNJPFB-UHFFFAOYSA-N 356.422 4.882 0 1 FJAF COc1ccc([C@H]2CC(=O)c3c(OC)cc4c(c3O2)C=CC(C)(C)O4)cc1 13397633 BIVJHZMNOBBBLR-QGZVFWFLSA-N 366.413 4.595 0 1 FJAF biogenic Cc1cccc(NC(=O)c2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673587 RDDOTPKEALTYSN-UHFFFAOYSA-N 374.469 4.810 0 1 FJAF O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCC[C@@H]1CN1CCCC1 13861052 QRIZARXGKJRHBY-HSZRJFAPSA-N 368.565 4.754 0 1 FJAF COc1ccc([C@H]2CC(=O)c3c(O)c(C)c(O)c(CC=C(C)C)c3O2)cc1 14815260 LLJWVWIUMYXGDE-GOSISDBHSA-N 368.429 4.630 0 1 FJAF biogenic CCCCCc1c(C(=O)OCC)c(OC)c2ccccc2c1OC(C)=O 27879977 CBJMJAOZTGGLRM-UHFFFAOYSA-N 358.434 4.683 0 1 FJAF CNC(=O)c1ccc2c(c1)[C@H](c1ccc(Cl)c(Cl)c1)CC[C@@H]2NC 28571559 MFRFEHWQLFFQLQ-UGSOOPFHSA-N 363.288 4.539 0 1 FJAF Nc1nccc2scc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12 28703850 KSAXJVKDBCJSHB-UHFFFAOYSA-N 352.463 4.610 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@@H](F)[C@@H]2NC(=O)Nc1cccc2[nH]ncc12 28965018 GNRVWTIJRDMIID-VQIMIIECSA-N 366.440 4.617 0 1 FJAF Cc1cc(-c2cccc(Cl)c2/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)ccc1F 29480207 YUKSSJOXWUFEPS-WLBISTCBSA-N 360.812 4.534 0 1 FJAF O=C(c1ccccc1)N1CC[C@](O)(c2cccc(Cl)c2)[C@H]2CCCC[C@@H]21 71316172 NELKNAISVNGJAO-ONTIZHBOSA-N 369.892 4.633 0 1 FJAF CC(C)S(=O)(=O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 71317120 FSPSPUXNGPONHZ-UHFFFAOYSA-N 370.257 4.984 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c(C3CCC(=O)CC3)nnc12 72109647 QEBUQUAZGODMJZ-UHFFFAOYSA-N 355.825 4.710 0 1 FJAF COc1ccc(/C=C/c2cc(=O)c3cc(Br)ccc3o2)cc1 103199526 ZGCYJSHVTUTINU-XBXARRHUSA-N 357.203 4.735 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 103529949 LKYKQZNGAZEYBT-LYHOESIGSA-N 351.381 4.677 0 1 FJAF CC1=Nc2ncnn2[C@@H](c2ccccc2Cl)/C1=C(\O)OC1CCCCC1 104059433 IJABWFIZTUAAJK-HVESIFNPSA-N 372.856 4.746 0 1 FJAF CCN[C@@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164852497 SPDXOSLCEMVVNH-LBPRGKRZSA-N 364.470 4.786 0 1 FJAF C[C@@H]1c2cc([C@@H]3C[C@H]3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C 253837601 BRZMIZNCFORRIR-BDJFWFNGSA-N 369.512 4.944 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3cnc4ccccc4c3[nH]2)c1 586895411 ZSMDMYVOVAZKMX-UHFFFAOYSA-N 351.409 4.937 0 1 FJAF Cc1c(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905657 XXYVJTILPPGTLA-GOSISDBHSA-N 372.424 4.732 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3c(Cl)ccnc3[nH]2)c(C)c1 586966206 JJSXVXHZOUEPPN-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF O=C1c2ccccc2-c2cc(Cc3ccc(F)cc3)nc3ccc(O)c1c23 586987289 CKWPUQBYCILNHD-UHFFFAOYSA-N 355.368 4.882 0 1 FJAF Cc1c(-c2cccc(O)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990164 DLQCTJBQRAPKPO-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF CC(C)Oc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005030 JTLJYZIPSRIKHB-UHFFFAOYSA-N 366.646 4.828 0 1 FJAF Nc1ccc(-c2nc3ccc(Br)c(F)c3[nH]2)c(C(F)(F)F)c1 587095926 ZKTHVYCZRCKFBN-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc12 587153398 ZKNVODDRXMOGQU-NXEZZACHSA-N 364.193 4.578 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCCCCC4)cc1)[C@@H](C2)C3=O 587440489 AJEZTBGSGLNYRQ-CVDCTZTESA-N 363.457 4.564 0 1 FJAF Cc1ccc(-c2ccc(O[C@@H](C)c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587553691 DEUZWFCXVAHZNA-AWEZNQCLSA-N 373.412 4.551 0 1 FJAF CC[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604858 ZNNHWWVVWUXCFJ-NZQKXSOJSA-N 360.409 4.968 0 1 FJAF CC(C)c1cnc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587854242 QUUQPUKCBWMGKP-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)cc1 587936085 RJHCJMUJYRNQOQ-HXUWFJFHSA-N 358.401 4.629 0 1 FJAF c1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653899363 HIEVTTBIZUWSKF-OAQYLSRUSA-N 356.425 4.814 0 1 FJAF Cc1cc2c(cc1F)[C@](c1ccc(F)cc1)(c1ccc(F)c(F)c1)NCC2 962373781 JFHQEVOTIVJQDC-QFIPXVFZSA-N 371.377 4.989 0 1 FJAF COc1ccc2c(c1)[C@](c1cccc(F)c1)(c1ccnc(C)c1)N[C@H]1CC[C@H]21 962996969 PSGJVCKZPIVEBX-NHTMILBNSA-N 374.459 4.679 0 1 FJAF CC(C)(C)OC(=O)c1cccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1 963101957 JRZYTIZFWRXQPH-GHTZIAJQSA-N 367.464 4.891 0 1 FJAF Cc1ccc(CC[C@]2(c3ccccc3)NCCc3c(C(=O)O)cccc32)cc1 963128977 CFMOXXYXCIPAEX-RUZDIDTESA-N 371.480 4.715 0 1 FJAF COc1cccc2[nH]cc(CCNCc3ccc(-c4ccc(F)cc4)o3)c12 1657984898 ZHDWWMHCYAMTEL-UHFFFAOYSA-N 364.420 4.908 0 1 FJAF C[C@H]1CCCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 5025873 DQHRAILQEASIBO-LBPRGKRZSA-N 373.909 4.827 0 3 FJAF C[C@H](CNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1 13835053 QBOPEOAWRHGLFY-MRXNPFEDSA-N 369.461 4.575 0 1 FJAF COc1ccc2c(c1)O[C@@H]1c3c(cc(O)c(CC=C(C)C)c3OC)OC[C@@H]21 14819621 XJMQUTIYKFBASW-AOMKIAJQSA-N 368.429 4.528 0 1 FJAF biogenic CC(C)=CC[C@@H]1C[C@@]2(CC=C(C)C)C(=O)O[C@](C(=O)C(C)C)(C2=O)C1(C)C 15252112 ZYGWHQBFRKQDQL-NLSFWIRASA-N 374.521 4.821 0 1 FJAF O[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2cccc(F)c2)C1 27711034 MUGIIFHWFNUWQQ-CHHLAKQQSA-N 369.480 4.612 0 1 FJAF O=C1CS[C@H](c2cc3ccccc3nc2Cl)N1c1ccc(F)cc1 38244412 YFQUPXHWHMWJMS-GOSISDBHSA-N 358.825 4.806 0 1 FJAF COc1ccc(/C=C2\CCCc3c2nc(N)nc3-c2ccc(OC)cc2)cc1 72177589 XYBWCBPZJMWHTO-SAPNQHFASA-N 373.456 4.620 0 1 FJAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2C[C@H](C)CC 82186434 WCVIQSUGVAYALU-OAHLLOKOSA-N 352.486 4.537 0 1 FJAF Cc1cccc(Nc2nc(-c3c(O)c4ccccc4oc3=O)cs2)c1 84669547 GJUDUCDHTQRENV-UHFFFAOYSA-N 350.399 4.674 0 1 FJAF CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1cccs1 100423728 FXZKPMWWWRDVCA-ROUUACIJSA-N 369.534 4.628 0 1 FJAF CC(=O)O[C@@H]1C/C(C)=C/CC/C(C)=C/CCC2=C[C@@H](OC2=O)[C@@H]1C(C)C 138471260 IMDXZXMRERRXIF-SWULUOMOSA-N 360.494 4.899 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1N 586883901 MRPAJYKMLVIGCS-ZDPRRSKRSA-N 358.489 4.862 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 586962430 DXZREKRMHYEYCH-MRXNPFEDSA-N 350.447 4.764 0 1 FJAF CSc1ccc2nc(CCSCC(=O)Nc3ccc(C)cc3)[nH]c2c1 586970670 NTAXENKYUWFQLQ-UHFFFAOYSA-N 371.531 4.508 0 1 FJAF Cc1nccc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587002012 RMCGHHQBYHWXHO-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF Fc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587081953 ZSDBHKSPUWRYAF-UHFFFAOYSA-N 363.783 4.732 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c2)c1 587233485 QNWQXFYLNLEEFO-UHFFFAOYSA-N 359.429 4.956 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3sccc32)[C@@H]1c1ccc(F)cc1 587376340 WUAWQSKDAZJBRK-CTNGQTDRSA-N 366.413 4.793 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(F)c(C)c3n1C)CC2=O 587467295 QJGAMYLGLPCLBU-HXUWFJFHSA-N 367.420 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3ccc(C)cc31)CC2=O 587491019 MTWICSJLWHQPPM-QFIPXVFZSA-N 352.430 4.686 0 1 FJAF COc1cc2c(cc1F)[C@@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587505606 JELKUEFOTIBDFY-JOCHJYFZSA-N 352.405 4.520 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1F 587570783 YOHHBNUOQDBRGI-OXQOHEQNSA-N 370.763 4.888 0 1 FJAF C[C@@H]1CC(C)(C)C[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601996 GPISBMUFNJGBRI-GHNFSYLKSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3[nH]2)N1 587802870 OAPHITBVABAFHD-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF CCc1c(C)[nH]c([C@H]2NC3(CC3)Cc3ccc(Br)cc32)c1C 961326955 SKRRHZQBRZUXMH-SFHVURJKSA-N 359.311 4.724 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]21CCSc2ccc(Cl)cc21 963256519 DATNERUSRBNGCD-GOSISDBHSA-N 366.313 4.887 0 1 FJAF C[C@]1([C@@H]2CC2(F)F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963834042 ZTDMYRFPNRKFNO-PZJWPPBQSA-N 368.427 4.763 0 1 FJAF CC(C)CNC(=O)C=CC=CCCCCCCc1ccc2c(c1)OCO2 2356332423 DMIKQRDDTCGOLE-UHFFFAOYSA-N 357.494 4.793 0 1 FJAF O=C(O)[C@@H](CC=CCCCCCCCC[C@@H]1C=C(CO)CC1)CCCO 2356763826 UBGUJVICJUKELH-FPOVZHCZSA-N 366.542 4.856 0 1 FJAF Brc1ccc([C@@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1 29311332 ANJFORKOAZCMIU-ROUUACIJSA-N 362.267 4.671 0 1 FJAF CC1=C(C(=O)O)[C@@H](CCCCCCCCCCCCC[C@H](C)O)OC1=O 85945708 RJNPNSFGRBJXHX-FUHWJXTLSA-N 368.514 4.765 0 1 FJAF biogenic CCN(CC)C[C@@H]1C[C@@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 101430628 TXNFYPIAXHMYBE-FTRWYGJKSA-N 357.929 4.835 0 1 FJAF CCCCCNC(=O)Oc1cccc(-c2ccc([C@@H](C)C(=O)O)cc2F)c1 143601999 ZTUDKEZTBWCJFR-CQSZACIVSA-N 373.424 4.959 0 1 FJAF CC(C)NCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146526278 ACYINCUPKUMFBP-UHFFFAOYSA-N 366.534 4.573 0 1 FJAF COc1ccccc1[C@@H](c1ccc(OCCN(C)C)cc1)c1cccs1 206287285 KKRZOWNOXDKMQW-JOCHJYFZSA-N 367.514 4.877 0 1 FJAF COc1cc2nc([C@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1OC 587068872 FCOGQPDKLZQPFO-LLVKDONJSA-N 358.825 4.610 0 1 FJAF CC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2c1 587077151 RQNGXEVZCHSIEB-UHFFFAOYSA-N 363.804 4.854 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1O 587107058 MVNVABCFQGRWCK-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF COc1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587159827 VIIWGTOGGXHQBG-UHFFFAOYSA-N 358.376 4.717 0 1 FJAF CC1=CC[C@H]([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601798 HTIUXIRIAFVNKX-LYLBAIIYSA-N 350.414 4.859 0 1 FJAF Cc1c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc(F)c1F 587714893 GJQKEVLRDWNFAQ-RBHXEPJQSA-N 370.212 4.798 0 1 FJAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724698 LHZGZTCZFRYWNI-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF CC1=COc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587844646 XTINRGVSHXXADL-CWTRNNRKSA-N 374.253 4.662 0 1 FJAF COc1ccc(C)c2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587876842 UGUCORAGGJDESS-UHFFFAOYSA-N 353.378 4.711 0 1 FJAF COc1cccc(Nc2nnc(-c3ccc(Br)cc3)s2)c1 653745113 DQNVGUPYIHTISC-UHFFFAOYSA-N 362.252 4.720 0 1 FJAF Cc1ccncc1[C@@]1(c2ccc(F)cc2)NCCc2c1sc(C)c2C 963014125 TZVOIXJTHHGZHL-OAQYLSRUSA-N 352.478 4.645 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cccc(-c2cccs2)n1 963259016 QJRAUKHOQACIFZ-LJQANCHMSA-N 356.878 4.707 0 1 FJAF Oc1ccc2c(c1)[C@@](c1ccccn1)(c1cccc(Cl)c1Cl)NCC2 963331744 ZSQJBNAXROIGHD-HXUWFJFHSA-N 371.267 4.532 0 1 FJAF Fc1cc(F)c(-c2cc(N=c3cc[nH]cc3)c3cc[nH]c3n2)cc1Cl 1857540359 MOXKDKRBVAMLRS-UHFFFAOYSA-N 356.763 4.722 0 1 FJAF Cn1c(SCc2ccc(F)cc2)nnc1C12CC3CC(CC(C3)C1)C2 5954787 SOTOLHCANNLUAD-UHFFFAOYSA-N 357.498 4.714 0 1 FJAF CC(=O)O[C@@H]1O[C@@H]2OC(=O)[C@@H](C)c3c([C@@]4(C)CCCC(C)(C)C4)ccc1c32 14918859 AQSIHMBSEUHXNO-LWTZNZQMSA-N 372.461 4.795 0 1 FJAF biogenic CCC(=O)N(c1ccccc1)[C@H]1CCCN(CCCc2ccccc2)C1 27872306 XMTOGORZONLFJZ-QFIPXVFZSA-N 350.506 4.527 0 1 FJAF C[C@H](Sc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29477376 QSIJCMMZKLLFLT-JTQLQIEISA-N 360.822 4.641 0 1 FJAF Cc1cc(Cl)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 29481424 MXPBKVOBCGEMAO-FZZYSBJUSA-N 374.839 4.843 0 1 FJAF O=c1c(C(=S)Nc2ccccc2)coc2cc(Cl)c(Cl)cc12 43016475 YKKAHLRTLRKDFW-UHFFFAOYSA-N 350.226 4.887 0 1 FJAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 66258434 JOPQLBJOBLLJOI-MRXNPFEDSA-N 368.477 4.653 0 1 FJAF COc1cc(OC)cc(Oc2cc(NC[C@H](C)c3ccccc3)ncn2)c1 82068371 HHDZTBVUGKRQGV-HNNXBMFYSA-N 365.433 4.502 0 1 FJAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 204750782 SOXOMWQCZJSTNP-CXAGYDPISA-N 350.397 4.779 0 1 FJAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205717096 MXZPGNOPALOWQW-QGZVFWFLSA-N 366.358 4.810 0 1 FJAF C[Si](C)(C)CCC[C@@](O)(Cn1cncn1)c1ccc(Cl)c(Cl)c1 211503861 BWQSHUJGRGAAKH-MRXNPFEDSA-N 372.372 4.591 0 1 FJAF COc1cc(O)c2c(=S)c(OC)c(-c3ccc(OC)c(OC)c3)oc2c1 473136391 QSSITKBBFBLDNM-UHFFFAOYSA-N 374.414 4.569 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3c(C)oc4c3C(=O)CCC4)nc2c1 586903704 NKGFDFRSULICCE-UHFFFAOYSA-N 359.223 4.721 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(OC(C)C)cc2[nH]1 586915138 BCKWYEVCNLDMCU-VGOFRKELSA-N 364.445 4.567 0 1 FJAF CC(C)Oc1ccc2nc(-c3cc(Br)cc(C=O)c3)[nH]c2c1 586982187 IBPAZMCXURFWDO-UHFFFAOYSA-N 359.223 4.592 0 1 FJAF C[C@H]1CCCCN1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988356 PWRDNTSQGOOUIV-AWEZNQCLSA-N 358.441 4.526 0 1 FJAF COc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Cl 587147876 UMWUBJUPGBBLSM-UHFFFAOYSA-N 374.778 4.571 0 1 FJAF O=C(O)c1cccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c12 587148786 HGFIAZXQANJBCK-IBGZPJMESA-N 361.376 4.602 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350360 DOUSCSIGXBVLOK-PFGRWTDPSA-N 364.416 4.861 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4SC[C@H]1C)[C@@H](C2)C3=O 587451756 KJFJYHZMMQCNLN-YERPZDBWSA-N 372.873 4.733 0 1 FJAF CCN(CC)CC1([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 587507878 UPRYFMQVCDUHNN-OAQYLSRUSA-N 355.522 4.801 0 1 FJAF Cn1cc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cn1 587517401 MPDXXUOSVIXZKO-QFIPXVFZSA-N 358.441 4.672 0 1 FJAF COc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587528090 ZLOZKSHVPCRWDP-HSZRJFAPSA-N 366.457 4.549 0 1 FJAF C[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587554733 FCSOJDJWAGMQFK-NQIIRXRSSA-N 368.335 4.547 0 1 FJAF Cc1ccccc1C1CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601967 GKBMPPZTHDXKLK-BFDGSKQISA-N 372.420 4.979 0 1 FJAF Cc1ccsc1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615517 XUJTYZCMUCPTKG-OXJNMPFZSA-N 352.411 4.639 0 1 FJAF CC(C)(C)[C@@H]1C[C@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618709 QAOXQWXUUPZBQD-XGHQBKJUSA-N 370.470 4.644 0 1 FJAF C[C@@]1(CCc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620373 YQWDMDJAJCUHGB-NQIIRXRSSA-N 366.438 4.807 0 1 FJAF O=c1c2cc(Cl)ccc2cnn1-c1nc2c3c(ccc2s1)CCCC3 587653381 GOOVLVOTXCPONC-UHFFFAOYSA-N 367.861 4.528 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccn3c2)N1 587773950 SREHFVVUXFSKKD-CWTRNNRKSA-N 373.269 4.639 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587934641 LFGQLGWWXCXCBB-UHFFFAOYSA-N 360.244 4.846 0 1 FJAF CC(C)=CCC/C(C)=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587969216 WVEQLUIBCMRIGZ-NTCAYCPXSA-N 363.465 4.772 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@H](C(=O)OC)c1ccccc12 963243519 SPJDOFQTOCBRJC-YQOVMPOYSA-N 363.501 4.637 0 1 FJAF CCCC[C@@]1([C@@H]2CCOC(C)(C)C2)NCC(C)(C)c2ccc3c(c21)OCO3 963390579 KSBZFEBBGRQXLQ-MWTRTKDXSA-N 373.537 4.887 0 1 FJAF Cc1ccccc1Oc1cc(F)cc(N2Cc3ccccc3S2(=O)=O)c1 1772653579 XKGJKRRDGPTDQE-UHFFFAOYSA-N 369.417 4.635 0 1 FJAF OCCCCCN1CCCC[C@H]1c1nc(-c2ccc3ccccc3c2)no1 1857594293 VGZLEPWHYSCXKG-FQEVSTJZSA-N 365.477 4.579 0 1 FJAF Cc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 1857607779 UDEMIVGGEXNRKI-UHFFFAOYSA-N 352.821 4.875 0 1 FJAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3cccnc3)c12 1857628028 WQNBCUDCLHYXRM-UHFFFAOYSA-N 368.392 4.633 0 1 FJAF CCCCOC(=O)[C@H]1CON(c2ccccc2)[C@H]1c1c[nH]c2ccccc12 1857649915 GJEKOZFJWZSLRR-FPOVZHCZSA-N 364.445 4.620 0 1 FJAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)OC 2356732568 ITRBVGLWLFOKTQ-QYZOEREBSA-N 352.515 4.593 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccccc3OC(F)F)nc2c1 2382254056 FXPCLIZBZBIFNC-RUZDIDTESA-N 367.288 4.666 0 1 FJAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3c(C)ccnc32)CC1 26016497 OYPLAXJPSYQQHQ-UHFFFAOYSA-N 366.892 4.586 0 1 FJAF Cc1ccc(NC(=O)CCC2CCCC2)cc1NC(=O)c1ccc(O)cc1 27082416 ULLWDGUJHMFZJU-UHFFFAOYSA-N 366.461 4.862 0 1 FJAF COc1cccc(C(=O)N2CCCC2)c1OCc1ccc(C(C)(C)C)cc1 28521159 NWIGDSHQGGVRHV-UHFFFAOYSA-N 367.489 4.808 0 1 FJAF CC(=O)Nc1ccc(-n2c3c(c4ccccc42)C(=O)CCC3)c(Cl)c1 34985322 WOQVPUGMBJUNSS-UHFFFAOYSA-N 352.821 4.761 0 1 FJAF COC(=O)c1c(C(=O)O)ccc2c(C3CCCC3)c(-c3ccoc3)n(C)c12 36350463 INDQEDNRNWCLQM-UHFFFAOYSA-N 367.401 4.581 0 1 FJAF CN(CCc1c[nH]c2ccccc12)C(=O)c1ccc(-c2ccncc2)cc1 40860120 NMGNSIMSXTWPBG-UHFFFAOYSA-N 355.441 4.545 0 1 FJAF O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1ccc(F)cc1 49067465 KCJLEXFFDQUJTC-UHFFFAOYSA-N 368.795 4.984 0 1 FJAF COc1ccc(N(C)C(=O)c2ccc(-c3cccc(OC)c3F)s2)cc1 95585483 FLQGOAHOPIFDCX-UHFFFAOYSA-N 371.433 4.848 0 1 FJAF CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccccc4N)n[nH]c2-3)CC1 169693387 QZTMUEVOGGBDFG-UHFFFAOYSA-N 372.516 4.898 0 1 FJAF CSC1=N[C@H](c2cccc(Cl)c2Cl)C(C(=O)OC(C)C)=C(C)N1 299856146 IDQMXQYUUZGHDL-CQSZACIVSA-N 373.305 4.582 0 1 FJAF COc1cc(/C=C\c2nc3cc(F)c(F)cc3[nH]2)ccc1Br 586975394 BQCYDKLSXWDGKR-HYXAFXHYSA-N 365.177 4.783 0 1 FJAF Cc1ncsc1CCc1nc2cc(Br)cc(Cl)c2[nH]1 587027585 WAHKTOVYDZFLRX-UHFFFAOYSA-N 356.676 4.529 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)nc(Cl)c4[nH]3)cc2[nH]1 587120525 MURCQQYKLQJXSZ-UHFFFAOYSA-N 372.137 4.827 0 1 FJAF C[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334804 ZBCZUSLYNCLUGB-SJLPKXTDSA-N 368.326 4.991 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)c(C)c1)[C@@H](C2)C3=O 587418286 CAZUDTWWHSPURX-HNAYVOBHSA-N 362.347 4.685 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587420312 JPERFEIYQHIHII-UGSOOPFHSA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)cc1OCC)CC2=O 587481620 QWSWYNKDWZTNNG-OAQYLSRUSA-N 370.445 4.849 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(OC)ccc3n1)CC2=O 587486557 CPSHTUNBVKFKML-OAQYLSRUSA-N 363.413 4.608 0 1 FJAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccnn2C)c1 587516579 DFGSZBGUHYHMPI-QHCPKHFHSA-N 372.468 4.981 0 1 FJAF Nc1ccc2c3c([nH]c2c1)[C@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587524601 KVYBBEZTRCJLSQ-DEOSSOPVSA-N 372.468 4.826 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587720938 UHMCUUFSMUMBRA-XYZCENFISA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ccc23)N1 587800173 ARKCVVLXVBCVDC-JEOXALJRSA-N 373.269 4.867 0 1 FJAF CC[C@]1(c2ccc(C)o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832165 ZBCKWYHQFPUXTH-BMLIUANNSA-N 352.247 4.677 0 1 FJAF COc1cc2oc(-c3cn4nc([C@H](C)F)sc4n3)cc2cc1Cl 653671239 UWGGAGCONWPWLH-ZETCQYMHSA-N 351.790 4.897 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2n[nH]cc2-c2ccccc2)cc1 962659410 GNCUBDPJEPTISH-QHCPKHFHSA-N 351.453 4.979 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](CCCN(C)C)(c2ccccc2)N1 962962423 VOZYUFGGQIMUBK-DVECYGJZSA-N 361.533 4.678 0 1 FJAF COc1ccc([C@]2(C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963108426 PDZZOHHJUAJLNM-HNAYVOBHSA-N 365.370 4.661 0 1 FJAF CC1=CC[C@@H]2[C@H](CCC(=O)C2(C)C)[C@H]1COc1ccc2ccc(=O)oc2c1 2356386638 QNYVPIIHDIDFPU-CEXWTWQISA-N 366.457 4.760 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC[C@@H](C)C(=O)CC=C(C)C 2356493927 LDJJMUSJYLVPLC-LJQANCHMSA-N 364.526 4.927 0 1 FJAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3cccc(F)c3)n2c1 95570170 WYUAWSJRFZLOLZ-UHFFFAOYSA-N 374.415 4.826 0 3 FJAF CC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2cc3cc(OC(C)=O)ccc3n21 3787612 WGGAULMDUIDUGU-QGZVFWFLSA-N 363.413 4.666 0 1 FJAF CC(=O)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1 3955854 AHIBHEZBMMLLAZ-UHFFFAOYSA-N 362.517 4.501 0 1 FJAF COc1ccc(-c2nc3sccn3c2Nc2ccc3c(c2)OCO3)cc1 4597541 PROQVRYFBBCLMC-UHFFFAOYSA-N 365.414 4.544 0 1 FJAF Fc1ccc(-c2cnnc(-c3ncccc3F)c2)cc1-c1ncccc1F 13686172 BGVDDMWFMIAGGF-UHFFFAOYSA-N 364.330 4.685 0 1 FJAF O=C1Nc2cccc3c2[C@@]1(CCCCCN1CCc2ccccc2C1)CCC3 13817854 UECFQSURZLIICR-RUZDIDTESA-N 374.528 4.832 0 1 FJAF Cc1cc(C)c(NC(=O)c2sc(NC(=O)NC(C)(C)C)nc2C)c(C)c1 14952077 KNXLIYDORHRPJC-UHFFFAOYSA-N 374.510 4.549 0 1 FJAF CCCC1=NO[C@@H](c2ccc(N3CCN(Cc4ccccc4)CC3)cc2)C1 28961995 GJHVGLVTYGMPTO-HSZRJFAPSA-N 363.505 4.626 0 1 FJAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29045016 ZCBQEXNDAUWJPW-UHFFFAOYSA-N 353.805 4.603 0 1 FJAF CCCC[C@@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2 34065117 GCEZTYNTOTZPMN-MRXNPFEDSA-N 356.418 4.609 0 1 FJAF biogenic Cn1cc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc2n1 66128848 NYZVLORTMXWLFI-UHFFFAOYSA-N 371.469 4.857 0 1 FJAF CC(C)(C)c1nc2ccccc2n1Cc1cc(=O)[nH]c2c(F)c(F)ccc12 72111071 OMZGQQKGLKDWKF-UHFFFAOYSA-N 367.399 4.502 0 1 FJAF O=C1N(c2cc(F)c3ccsc3c2)CCN1c1cnccc1C1CC1 143920624 UTGPHXYPSWMZCB-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF CC[C@@H](C)Sc1nc([C@@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352198 DMGVYRHFDSPCAD-ZJUUUORDSA-N 354.878 4.913 0 1 FJAF N[C@@H](Cc1cccc(Br)c1)c1nc2cc3ccccc3cc2[nH]1 586983408 CGMOIABQIUHTHJ-INIZCTEOSA-N 366.262 4.721 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2cc(Br)c(C)nc2[nH]1 587156001 PYUBPVJYRPSMBV-ZDUSSCGKSA-N 364.218 4.698 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2cc3c(cc2[nH]1)OCO3 587240896 RGYXDVSXXZOULG-UHFFFAOYSA-N 359.385 4.711 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(-c3ccc(Cl)cc3)no1)O2 587378390 BSVAXNPQBBLVOE-HXUWFJFHSA-N 368.820 4.766 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1csc(-c3cccc(F)c3)n1)O2 587384400 LLGRULLHORNRQA-KRWDZBQOSA-N 354.406 4.546 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)([C@@H](C)c1nc4ccccc4s1)[C@@H](C2)C3=O 587451232 JGVDWONLDDNVSZ-IOEWJQCESA-N 365.454 4.615 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1sc1ccccc41)[C@@H](C2)C3=O 587452324 MBNYFCDPDHNWHF-AOMKIAJQSA-N 362.450 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(CC)cc31)CC2=O 587483289 FFWMAYGICZVUAO-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF COc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587501594 CIZMLDVUQPJGAI-SFHVURJKSA-N 374.383 4.882 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@@H]2C1CC1 587601578 DRMUTCCXFHGTOG-WVBUVRCRSA-N 350.414 4.693 0 1 FJAF CCc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603741 RMGYEAYBFJHBKG-NFBKMPQASA-N 360.409 4.832 0 1 FJAF C[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603760 PFBZTROZUWBAJI-SJODRWRQSA-N 372.420 4.832 0 1 FJAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2cc(Cl)c(F)cc12 587627802 CEJDUAMEMHTAAC-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2F)N1 587725748 FTLQPFXTLCUVJK-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874277 SNVQOZGACCWLGF-LLVKDONJSA-N 372.783 4.864 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](CC)O[C@@H]3CCC[C@@H](C)C3)[nH]c2c1 587951838 IYOSDYHUZXJTKE-OGWOLHLISA-N 358.482 4.715 0 1 FJAF Cc1c(F)ccc2c1[C@](CCC(=O)O)(c1ccc3ccccc3c1)NCC2 962140973 ADTZQPMHTKANPN-QHCPKHFHSA-N 363.432 4.541 0 1 FJAF Clc1cc(Cl)c2c(c1)[C@H](c1ccnc(-c3ccccc3)n1)NCC2 963120504 JAAGNAPSSLQJGR-GOSISDBHSA-N 356.256 4.686 0 1 FJAF COCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)C1 61946860 HQSUOMDNEIPOEM-JSXDIISVSA-N 362.554 4.732 0 3 FJAF CCCCCCC1=NO[C@@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N(C)C 4295661 NSXKRWVXSCOCNN-SJORKVTESA-N 354.853 4.581 0 1 FJAF c1ccc(Nc2nccc(-c3c(-c4ccccc4)nn4ncccc34)n2)cc1 13582654 UTOOHPODUPHFBL-UHFFFAOYSA-N 364.412 4.597 0 1 FJAF CCn1c(=O)n(CC)c2cc(-c3cccnc3-c3cccc(C)c3)ccc21 14958593 VKGRIWAKRCOIPD-UHFFFAOYSA-N 357.457 4.880 0 1 FJAF CCSc1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 28709003 XQZXFZQVAHRPEI-UHFFFAOYSA-N 368.487 4.544 0 1 FJAF Cc1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2C)C1 45388169 UYUUBRBRUZYWLZ-FGZHOGPDSA-N 350.550 4.989 0 1 FJAF O=C(c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12 66066537 KXGMOCGXJIAAOK-UHFFFAOYSA-N 351.203 4.710 0 1 FJAF O=C(c1ccccc1)N1c2ccccc2[S@@](=O)c2ccc(Cl)cc21 72109969 PULVLDVDFQOFGN-DEOSSOPVSA-N 353.830 4.799 0 1 FJAF C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 72118487 HIZMYJHNUZCWKW-JTQLQIEISA-N 353.775 4.777 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13C[C@H](CC[C@H]12)[C@@H](C(=O)O)C3 101659173 ZKXLEDOCSSUHKY-WAAHBIMHSA-N 362.510 4.663 0 1 FJAF COc1ccc([C@@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203669131 HBHBUOSPGAPLHZ-SFHVURJKSA-N 352.434 4.747 0 1 FJAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(F)cc1 473111627 AXLXDMCCHNCTRW-UHFFFAOYSA-N 359.784 4.563 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 586918409 YJKIGGRLOAADJY-AUUYWEPGSA-N 374.362 4.798 0 1 FJAF Cc1c(Cl)ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587007095 LXQFAJQBEKCAKB-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1c(Br)cc2nc(-c3cc(F)cc(F)c3O)[nH]c2c1C 587134001 HBRDOZDFUMUWOE-UHFFFAOYSA-N 353.166 4.593 0 1 FJAF CCCCOc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br 587176907 JMAFFDDKZLLMOH-UHFFFAOYSA-N 364.218 4.705 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1csc(Br)c1)CC2=O 587496374 WVMWUOANTAXVJT-AWEZNQCLSA-N 367.264 4.875 0 1 FJAF C[C@@]1(c2cnn(-c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517739 TZQAYXNLCJXTPG-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cccnc2c1 587589566 YFFJBSFNEBNIAO-REWPJTCUSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC1(C1CCC1)C1CCC1 587603519 PZSUBTWVNGYSRS-LJQANCHMSA-N 350.414 4.693 0 1 FJAF CCCc1csc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613842 QSYRDECLKZSKTN-QFBILLFUSA-N 367.426 4.504 0 1 FJAF O=c1c2cc(Cl)ccc2cnn1-c1c(Cl)cc(Cl)cc1Cl 587651349 REHQLDFIACEWIT-UHFFFAOYSA-N 360.027 4.999 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814192 RTLMEMAITLTUFF-FEMPBKKVSA-N 370.306 4.589 0 1 FJAF CCCCSc1ncc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cn1 963118597 ZSUBOUUBZGTMOH-VQIMIIECSA-N 357.498 4.618 0 1 FJAF CC(C)n1ccc2c(C(=O)Nc3ccccn3)cc(-c3cccs3)nc21 1772616699 HITJSPLQSBLNPV-UHFFFAOYSA-N 362.458 4.993 0 1 FJAF CN(C)c1ccc(-c2cc(-c3cccc4ccccc34)nc3nncn23)cc1 1857613680 IPPABVXASIKASH-UHFFFAOYSA-N 365.440 4.678 0 1 FJAF CC(C)CNC(=O)C=CC=CCCCCC=Cc1cccc2c1OCO2 2356454256 FBTXMNLZNGRIOP-UHFFFAOYSA-N 355.478 4.874 0 1 FJAF CCCc1cc2cc(O)cc(Oc3c(O)cc(O)cc3CCC)c2c(=O)o1 2356722334 DJGNDSKOUUDRIZ-UHFFFAOYSA-N 370.401 4.607 0 1 FJAF CCc1nc2c(OCCC3CCCCC3)cccn2c1N(C)C(=O)C1CC1 61903966 BFRNEFWXKTXFEI-UHFFFAOYSA-N 369.509 4.619 0 3 FJAF CC(=O)c1ccccc1N[C@H](C(=O)NC1CCCCC1)c1ccccc1F 206049652 COQVQXHUGBBKAN-NRFANRHFSA-N 368.452 4.630 0 3 FJAF COc1ccc(-n2c(-c3ccccc3)cn(-c3ccc(C)cc3)c2=O)cc1 677284 AHJSIXHFEQCBLL-UHFFFAOYSA-N 356.425 4.612 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CC[C@H]2CCCCN2)cc1 13780281 OJXMFPOBPZXOPS-QGZVFWFLSA-N 369.896 4.801 0 1 FJAF C[C@H]1CCCN(CC[C@H](C)[C@@H](C)S(=O)(=O)c2cccc3ccccc23)C1 27637392 NSIUOUDAPUEWFM-GBESFXJTSA-N 373.562 4.760 0 1 FJAF O=C1c2cccc3cccc(c23)C1(Cc1cccnc1)Cc1cccnc1 27980964 HFOIWJOMAGXSQG-UHFFFAOYSA-N 350.421 4.549 0 1 FJAF COP(=O)(OC)O[C@@H](c1ccc2ccccc2c1)P(=O)(OC)OC 29224291 VSQRGQIWQHOMKS-OAHLLOKOSA-N 374.266 4.742 0 1 FJAF CC(C)c1cccc2c(C(=O)O)c(O)c(Cc3c[nH]c4ccccc34)nc12 35087101 QMSZYNYKJIVMKO-UHFFFAOYSA-N 360.413 4.834 0 1 FJAF c1ccc2[nH]c(Oc3ccc(OCCCN4CCCCC4)cc3)nc2c1 40919265 ODJODTWJYGPSFX-UHFFFAOYSA-N 351.450 4.610 0 1 FJAF COc1cc(OC)c2c(C)[n+](-c3ccc(Br)cc3)c(C)cc2c1 40935508 IVXHBJSFBKEBFN-UHFFFAOYSA-N 373.270 4.513 0 1 FJAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC[C@@H]1Cc1ccccc1 45388262 DNKJIHBHAFUTQD-ROCCCLLUSA-N 352.522 4.618 0 1 FJAF C[C@@H]1O[C@@H](OCCCc2c(-c3ccccc3)oc3ccccc23)CC[C@H]1O 66112548 JAHWMMAGTYGCIC-SAWYMBPVSA-N 366.457 4.935 0 1 FJAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2ccccc2Cl)C1 66251736 CMTPDJMYNGZGLH-GEBKJHSDSA-N 369.892 4.958 0 1 FJAF CCOc1cc(C(=O)O)ccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 90472052 BILVFEFPYFDDEK-UHFFFAOYSA-N 351.189 4.634 0 1 FJAF biogenic CCCOC1(OCCC)[C@@H]2c3ccccc3[C@H]([n+]3ccccc32)C1(C)C 100714845 FXQHUFQIJNCSSB-RTWAWAEBSA-N 352.498 4.598 0 1 FJAF CCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(=O)c1ccccc1 103266117 XDMMJPGMULBKLB-UHFFFAOYSA-N 370.924 4.714 0 1 FJAF CCCCc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332626 MCOKCTAPEUYJLT-QFIPXVFZSA-N 362.521 4.982 0 1 FJAF COc1ccc(-c2cc3cc(Br)cc(OC)c3o2)cc1OC 140784476 UDAZVHNLUNWCFM-UHFFFAOYSA-N 363.207 4.888 0 1 FJAF Cc1nc2c(s1)[C@H](C(=O)NCc1c(C)cc(Cl)cc1Cl)CCC2 220875627 RZSNPEBJVUTBCZ-GFCCVEGCSA-N 369.317 4.803 0 1 FJAF Nc1ccc(-c2ccc3nc(CCCCc4cccc(O)c4)[nH]c3c2)cc1N 586896222 LYRJZHNMIAKGLF-UHFFFAOYSA-N 372.472 4.665 0 1 FJAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2c1 586904903 DBDONYNDVKPGAL-UHFFFAOYSA-N 366.442 4.592 0 1 FJAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2c(O)nc(S)nc2[nH]1 587074542 XAAHRKCDIKXSDL-UHFFFAOYSA-N 368.849 4.643 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ncncc4[nH]3)cc2)cc1 587112055 JRBNRNYHNAXALO-UHFFFAOYSA-N 356.307 4.831 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2n1 587113581 NLWULUTZMVRQLR-ZDUSSCGKSA-N 362.399 4.517 0 1 FJAF COc1ccc2nc(-c3cc(C)ccc3N(C)C(=O)OC(C)(C)C)[nH]c2c1 587195433 HIDATJZWAIFPMV-UHFFFAOYSA-N 367.449 4.918 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCOc1ccc(Cl)c(Cl)c1)O2 587377516 JMDQGSCSTOHBHH-GFCCVEGCSA-N 366.244 4.687 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc(C(C)C)cc3)c1)O2 587391267 MDASEDHMHXJBGH-OAQYLSRUSA-N 361.445 4.593 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3cccnc3)[nH]c3ccccc13)O2 587395359 BQDHAAHBBQCHTF-HXUWFJFHSA-N 369.424 4.827 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587446603 ZUCJCPILZTZMJJ-NTDBCUBYSA-N 364.485 4.988 0 1 FJAF CN(CC[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)OC(C)(C)C 587507059 QZOGEAUAXAIRMO-JOCHJYFZSA-N 373.493 4.546 0 1 FJAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604029 QOBOPKIQJOSIHE-VLCIQMGPSA-N 364.441 4.939 0 1 FJAF COc1ccc(OC)c(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)F)c1 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CCO[C@]1(C)[C@H](O)CC[C@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CCC(C)=CCO 2356416368 RBLSOOWMEDZHMU-LJUYRKFLSA-N 352.559 4.714 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356651466 OMUWPNNQUCLTRC-QWRAQGELSA-N 372.549 4.508 0 1 FJAF O=C1N(CC[C@@H](O)c2ccccc2)CCC12CCC(c1ccccc1)CC2 205707414 KXTKSLTWHNYFAJ-DJSMFCCRSA-N 363.501 4.687 0 3 FJAF CCCc1cc(C(=O)OC)cc(CCC)c1O[C@H](C(=O)O)c1ccccc1 13539260 JVBKTIFDZAGSRW-FQEVSTJZSA-N 370.445 4.583 0 1 FJAF O=C(O)CCCCCCCc1nnc(-c2ccccc2)n1-c1ccccc1 13727500 XGBOIVUSKXFDCE-UHFFFAOYSA-N 363.461 4.902 0 1 FJAF Cc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1 28528491 UDMXACKVXLMYLO-UHFFFAOYSA-N 354.538 4.666 0 1 FJAF C[C@H]1CC(=O)O[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)C1 40408176 JXXDUTXBMVLCBL-SXSAHBMQSA-N 354.490 4.960 0 1 FJAF Cc1ccc(C2=C(OC(=O)N(C)C)c3cccn3-c3ccccc3O2)cc1 55662784 KVEJUNNTLYYMDH-UHFFFAOYSA-N 360.413 4.702 0 1 FJAF Cc1oc2c(C)c3oc(=O)cc(C)c3cc2c1/C=C/C(=O)OC(C)(C)C 66251490 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361.001 4.833 0 1 FJAF Fc1ccc(/C=C(\c2nc3c(Cl)ncnc3[nH]2)c2cccs2)cc1 587163846 LYAQRZJIQSVRFI-WQLSENKSSA-N 356.813 4.796 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cnn(C)c3C)c2c1 587642176 QBXHOEUYJWJTBO-JTQLQIEISA-N 363.383 4.973 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3cn2)N1 587779982 XCRQJANWASOVHW-NSPYISDASA-N 371.253 4.760 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587845403 QYMFHOJBGDPZAE-XXFAHNHDSA-N 354.288 4.890 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccccc1F 587861087 MPSMQPJOJBEIRJ-UHFFFAOYSA-N 350.315 4.765 0 1 FJAF COc1ccc(/C=C/Cc2nc3cccc(C(F)(F)F)c3[nH]2)c(OC)c1 587930252 RQAIZFKXPXIVAI-HWKANZROSA-N 362.351 4.855 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc5ccccc5cc4[nH]1)(C3)C2 587949974 HBKPQIYYTLOMSN-IWENEADUSA-N 360.457 4.870 0 1 FJAF Cc1cc(-c2ccc(C(=O)c3c(F)ccc(O)c3F)s2)cc(C)c1O 1772634074 WWRZTYAWJIMEKC-UHFFFAOYSA-N 360.381 4.952 0 1 FJAF Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CC3CCCC3)nn2c1 1857565893 HKRIFBQBAOBRGQ-UHFFFAOYSA-N 366.440 4.671 0 1 FJAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2ncccc21 1857614573 MORAXDYDOYEJTE-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF CC(=O)OC=C1C=CC=C(C)C[C@H]2OC(=O)[C@H]1[C@H]2[C@H](C)CCC=C(C)C 2356633191 PUSGGIDEGQFCFM-RZXSNQJFSA-N 358.478 4.880 0 1 FJAF O[C@](c1ccccc1)(c1nc(-c2cccc(F)c2)cs1)C(F)(F)F 61902762 DQAUUVDQVSHQFF-MRXNPFEDSA-N 353.340 4.747 0 3 FJAF COc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)cc1 13474629 HOTOPLMUHTWMOS-UHFFFAOYSA-N 364.449 4.822 0 1 FJAF CC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21 28822989 UGGWFWBEVUZUOW-UHFFFAOYSA-N 364.445 4.509 0 1 FJAF Cc1ccccc1N1CCN(CCCSc2ccc(Cl)cc2)CC1 28886588 YFCMBEXUPUUGBE-UHFFFAOYSA-N 360.954 4.953 0 1 FJAF O[C@](c1ccccc1)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954217 ZWZWFKKOXQAOPD-CQSZACIVSA-N 361.150 4.668 0 1 FJAF c1ccc(Cn2c(SCc3cccnc3)nnc2-c2ccsc2)cc1 28976752 CCINSTFRKSVKQZ-UHFFFAOYSA-N 364.499 4.742 0 1 FJAF COc1cccc(N(C)C(=O)c2c(-c3ccccc3Cl)noc2C)c1 45372960 WFGAXKTYJDIHQF-UHFFFAOYSA-N 356.809 4.589 0 1 FJAF OCCCCC[C@H](O)c1ccc(-c2ccc(OC(F)(F)F)cc2)cc1 58590844 ZLHDGCCKWXRUCV-SFHVURJKSA-N 354.368 4.838 0 1 FJAF CCOC(=O)c1c(/C=C/CCCCO[C@@H]2CCCCO2)cccc1OC 71281211 VKIKPGQXASGXBU-NJGYHNCTSA-N 362.466 4.599 0 1 FJAF O=C(CCC1CCCCC1)N1CCC(c2nc(-c3cccs3)no2)CC1 71297034 XCFURFMJZSIXLQ-UHFFFAOYSA-N 373.522 4.865 0 1 FJAF CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(O)CCCC2=N1 103941799 MPVTUWAURZTJDS-IBGZPJMESA-N 365.458 4.590 0 1 FJAF CCN[C@H](C)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 164852620 SPDXOSLCEMVVNH-GFCCVEGCSA-N 364.470 4.786 0 1 FJAF COc1ccc(-c2nc3ccccn3c2-c2nc3cc(F)ccc3[nH]2)cc1 473152867 WGWNATHMASEVQL-UHFFFAOYSA-N 358.376 4.692 0 1 FJAF Cc1cc(Cc2nc3cnc4ccccc4c3[nH]2)ccc1Br 586977068 MYWKEOYTJWWJQT-UHFFFAOYSA-N 352.235 4.773 0 1 FJAF Clc1cncc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041640 OGJJJTSRTQPECG-UHFFFAOYSA-N 363.895 4.669 0 1 FJAF Fc1c(Cl)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077586 XGABFTICQZETBN-LBPRGKRZSA-N 368.170 4.765 0 1 FJAF Fc1cc2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2cc1Br 587080431 MVDJLHWSWPWVTJ-AWEZNQCLSA-N 367.605 4.794 0 1 FJAF Fc1cc(Br)cc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587084668 PYSODLQGZSZXHC-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCOC(=O)C[C@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587108205 XBPKZVYHUZTEOE-AWEZNQCLSA-N 371.436 4.504 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cnc(Cl)[nH]c-3n2)c1 587238978 QPHJAKKRGLJTOP-UHFFFAOYSA-N 364.840 4.568 0 1 FJAF Cc1cccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587341528 XBGKJECBXUEYQJ-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)F)c(Cl)c1)O2 587382894 PGYYIBUIASITBV-OAHLLOKOSA-N 353.752 4.539 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCC3)c(F)c1)O2 587384461 DRVMYYYUZPLWDB-JOCHJYFZSA-N 368.452 4.587 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(N3CCCCCC3)cc1)O2 587397424 APDWOTSYZLFZNR-HSZRJFAPSA-N 364.489 4.838 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN([C@@H](C)c3ccccc3)[C@@H](C)C1)O2 587400017 NLGYNZKPOLYDMG-HKARXFIJSA-N 364.489 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(F)ccc3s1)CC2=O 587471154 JEGKZDHRARFMSN-MRXNPFEDSA-N 357.406 4.800 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccc(O)cc1)CC2=O 587478140 GKPSGQXYHFYCBF-XMMPIXPASA-N 374.436 4.959 0 1 FJAF C/C(=C\[C@@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536611 XLRWGOJAJSPKQW-GLBTYYSXSA-N 367.514 4.953 0 1 FJAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587568008 JMCUPHXIECFMLZ-LAUBAEHRSA-N 350.345 4.543 0 1 FJAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)c(C)n1 587629682 XIDGOMHPYKPGHN-UHFFFAOYSA-N 355.747 4.600 0 1 FJAF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cc(F)ccc12 587633175 ZMAUHWCBUGDZMY-VIFPVBQESA-N 362.198 4.925 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587721604 PVHSMNARBVFXBH-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(C3CC3)n2)N1 587850193 CPANGDJONUTHLL-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF COc1ccc(/C=C\Cc2nc3cccc(Br)c3[nH]2)c(OC)c1 587930223 RAFSZYPUZSOXJP-HYXAFXHYSA-N 373.250 4.599 0 1 FJAF COc1cc(C(C)=O)c(OC)n1-c1cc(OC(C)C)c(Cl)cc1Cl 587943386 YTQIQPRCKPNXKE-UHFFFAOYSA-N 372.248 4.791 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(OC(C)C)cc4[nH]1)(C3)C2 587949976 HGFIDKWNGJYXAQ-MBWAJUJLSA-N 368.477 4.504 0 1 FJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@]12NCCc1cccc(-c3ccccc3)c12 962673109 ZQEVYQKVOLDRSK-ARNLJNQMSA-N 360.545 4.979 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn3cc(C)cc(Cl)c3n2)N1 962955293 RZNCJAMSCSBTTM-ZUOKHONESA-N 364.880 4.791 0 1 FJAF Cc1ccc([C@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)nc1 963096436 NKYZFZXNZJNFAN-URXFXBBRSA-N 358.460 4.842 0 1 FJAF COc1ccc(-c2cn3cc(-c4ccc(OC)c(OC)c4)ccc3n2)cc1 1857555119 XZCIASUJUIGTFI-UHFFFAOYSA-N 360.413 4.694 0 1 FJAF C[C@H](N=c1cc2c(cnn2C2CCCC2)c(O)[nH]1)c1ccc(Cl)cc1 1857641177 VBIAKLBUMDSAKO-LBPRGKRZSA-N 356.857 4.500 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@@H]1C 2356643227 LJMVPNYZXHUHTL-RIALKMOYSA-N 374.477 4.679 0 1 FJAF O=C(O)c1cc2c(Nc3ccc(F)c(Br)c3)ccc(F)c2[nH]1 2382239121 XOCQCOSNJGIZNF-UHFFFAOYSA-N 367.149 4.650 0 1 FJAF Fc1ccc(CCN2CCC3(CCc4cccc(F)c4O3)CC2)c(F)c1 13472078 GIUIKVQZCWGRMY-UHFFFAOYSA-N 361.407 4.506 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CO[C@H](C2)O3)cc1 13609200 KOFCNZPCQOBXHD-PZJWPPBQSA-N 353.418 4.817 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@@H]12 13823526 MEHJFIPYSWVCTE-RCTKEMKKSA-N 374.521 4.814 0 1 FJAF CCC[C@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18211059 SKFLRFBMDZILLG-PZJWPPBQSA-N 354.471 4.500 0 1 FJAF CN(C)CC[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1 28654051 TWEHNYKGYPOPRW-MEWQITQSSA-N 358.485 4.662 0 1 FJAF COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 36378938 PLWGJLHNBNMJOH-KKSHJYNMSA-N 372.505 4.764 0 1 FJAF Cc1ccccc1C(=O)Nc1cccc(Nc2nc(-c3cccnc3)c[nH]2)c1 40898909 KJBQDKWAFOVXMX-UHFFFAOYSA-N 369.428 4.776 0 1 FJAF c1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)cc1 63539379 TVUWQDLBEOZVOU-UHFFFAOYSA-N 362.462 4.648 0 1 FJAF COc1ccc(NC(=O)Cc2cccc(Oc3ccccc3)c2)c(OC)c1 73222978 WZAHIQUKDFITLB-UHFFFAOYSA-N 363.413 4.677 0 1 FJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 100703356 ICOGOQGVMRSKAS-OAHLLOKOSA-N 367.474 4.898 0 1 FJAF C[C@]1(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 101051416 QFGBXMNKPLHDLK-DJEJETEASA-N 367.533 4.707 0 1 FJAF CC(=O)OC/C(=C\CC/C(=C\CO)CO)CC/C=C(\C)CCC=C(C)C 238748846 VOPVVWGGRWHKOQ-WJHQBALMSA-N 364.526 4.640 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1 586897941 AOMIZYBSQBPUOX-UHFFFAOYSA-N 354.409 4.579 0 1 FJAF Clc1ccccc1OCc1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)o1 587064181 CMNNYPRVBKDZAO-UHFFFAOYSA-N 368.776 4.784 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(C)c(Br)cc2[nH]1 587067135 OWFVABLFMJKEOH-UHFFFAOYSA-N 350.647 4.996 0 1 FJAF O=C1c2ccccc2-c2cc(CSc3nncs3)nc3cccc1c23 587207687 IVWOXDFOCSSESU-UHFFFAOYSA-N 361.451 4.590 0 1 FJAF Cc1ccc(NC2(c3nc4cc(Br)cnc4[nH]3)CCCC2)cc1 587237591 VFCGWKRZJDTBAV-UHFFFAOYSA-N 371.282 4.910 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c1 587249818 KFDCEOZTJQKMCV-UHFFFAOYSA-N 360.255 4.508 0 1 FJAF Nc1cc(-c2nc3cc(Br)c(F)cc3[nH]2)c2ccccc2c1 587251348 DOZBREVVAYMLPF-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1cccc(C(=O)O)c1)O2 587408987 SFWZENXNYUBGHY-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(C(F)(F)C(F)(F)F)CC2=O 587463689 ZRTHVDQDCMREHX-CQSZACIVSA-N 352.299 4.656 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(F)cc31)CC2=O 587470235 FRDJGOXZXMWSAR-OAQYLSRUSA-N 356.393 4.517 0 1 FJAF COc1c(F)cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506566 OBKVSMJAQQLSLA-OAQYLSRUSA-N 358.384 4.733 0 1 FJAF O=C1C[C@H](c2cnc(-c3cccs3)nc2)Oc2c1ccc1c2CCCC1 587530707 GYIPVQXNDLGUKM-GOSISDBHSA-N 362.454 4.790 0 1 FJAF Cc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587570738 XMXWXZQKVUEMJK-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615943 YEBHZJMICVXKLD-VQIMIIECSA-N 370.451 4.879 0 1 FJAF Cc1[nH]c2cccc(F)c2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587634362 WCKXASUFQJAKIQ-UHFFFAOYSA-N 352.287 4.766 0 1 FJAF CC/C(=C/c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587968429 SSHYGECXRJUDSL-CYVLTUHYSA-N 361.489 4.654 0 1 FJAF CCOC(=O)CCC[C@@]1(c2ccc(C)cc2)NCCc2cc(C)c(F)cc21 962295377 DFYCLSJZDCRYGZ-QHCPKHFHSA-N 369.480 4.565 0 1 FJAF FC(F)(F)c1cccc2c1[C@]1(C=CCCCC1)NCC21CCOCC1 962952330 GTRSCSQWPLOZQN-LJQANCHMSA-N 351.412 4.682 0 1 FJAF CCCC[C@]1([C@H]2CCOC(C)(C)C2)NCC(C)(C)c2ccc3c(c21)OCO3 963390580 KSBZFEBBGRQXLQ-QMHKHESXSA-N 373.537 4.887 0 1 FJAF Cc1ccc(-c2nnc(-c3cnn(-c4ccccc4)c3C)c3nocc23)cc1 1772644446 RXEPIZBULZVYEH-UHFFFAOYSA-N 367.412 4.754 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(NC(=O)CCc2ccccc2)cc1 1857647638 IJDAKQCRDGXBIO-UHFFFAOYSA-N 358.485 4.890 0 1 FJAF O=C(C=CC=CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356346304 NYSPLUVUHIKYHV-UHFFFAOYSA-N 353.462 4.724 0 1 FJAF Fc1ccc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1 2382216451 OLSQVCOYAGWUNV-KRWDZBQOSA-N 353.422 4.590 0 1 FJAF Cc1nc(SCc2nc3ccc(F)cc3[nH]2)c2oc3ccccc3c2n1 36380927 NGJLWSLHILEWGD-UHFFFAOYSA-N 364.405 4.992 0 3 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1ccccc1)C2)c1ccc(Cl)cc1 96018895 HNLVPCCNZSHYQI-UBXANZILSA-N 353.849 4.776 0 3 FJAF COc1ccccc1CNc1ncnc2ccc(-c3ccccc3OC)cc12 4264558 BKHXRNGRGPVNKF-UHFFFAOYSA-N 371.440 4.926 0 1 FJAF CS(=O)(=O)c1ccc(-c2cc3c(cc2CC2CCCCC2)OCO3)cc1 13530406 OZOQVVJTLCNVSB-UHFFFAOYSA-N 372.486 4.609 0 1 FJAF Cc1c(CC(=O)Nc2ccncc2)c2cc(F)ccc2n1Cc1ccccc1 13556624 AYPZTEDFIUECST-UHFFFAOYSA-N 373.431 4.713 0 1 FJAF Brc1ccc2c(c1)CNc1c(Nc3ccccc3)ncnc1O2 28572345 HSRXRBPVKROIEI-UHFFFAOYSA-N 369.222 4.701 0 1 FJAF COc1ccc(-c2nc3ccccc3c(=O)n2-c2ccc(SC)cc2)cc1 72108190 JFAUAENOGRSYID-UHFFFAOYSA-N 374.465 4.783 0 1 FJAF CC[C@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)[C@H](C)C1(Cl)Cl 103272528 FQNRASSQPGZQOB-LKFCYVNXSA-N 369.119 4.872 0 1 FJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@](O)(C(C)C)[C@@H]23)cc1 238763334 PLWGJLHNBNMJOH-SKWRMQMOSA-N 372.505 4.764 0 1 FJAF C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1 261077339 BDHDIEVXYUODTG-XYWHTSSQSA-N 362.521 4.627 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586963284 GSJWBRJSGWIAPU-CQSZACIVSA-N 362.458 4.785 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587028354 TXOJNFKBIHJVDQ-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF CC(C)Oc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116455 XUFVPBDCIUQHSE-UHFFFAOYSA-N 372.350 4.979 0 1 FJAF CCc1ccccc1NC(=O)c1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 587241591 XWURDRLMHDDRQX-UHFFFAOYSA-N 369.424 4.609 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OCCC(C)C)cc1)[C@@H](C2)C3=O 587442229 PFZZWXZLWBPQBG-CVDCTZTESA-N 366.457 4.783 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OCC)CCC3)CC2=O 587483475 XAVHKMFVOPQNKB-QFIPXVFZSA-N 366.457 4.939 0 1 FJAF Cc1ccc(C)c(C[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603049 MOFORTQROZEUDO-RTWAWAEBSA-N 360.409 4.582 0 1 FJAF CSc1ccccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610012 BDQFZRKILWNQFE-RXVVDRJESA-N 364.422 4.817 0 1 FJAF CCn1ncc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c1C 587628461 LEXZTBMLVQHATN-UHFFFAOYSA-N 373.737 4.897 0 1 FJAF O=C(C(c1ccccc1)c1ccccc1)n1ncc2ccc(Cl)cc2c1=O 587652690 ZGZRLYVXYBBEIO-UHFFFAOYSA-N 374.827 4.522 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccccc23)N1 587828771 OWIKRQGQVBTISC-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF C[C@@]1(Cc2ccc(F)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716684 VRMJZYKRAQGKKB-LAUBAEHRSA-N 359.485 4.786 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3cccc(F)c3)nc2C)N1 962952825 VYOMVGCIAHYMTD-MWTRTKDXSA-N 374.463 4.815 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CC(C)=O)C(F)(F)Br 963238034 HJTNGLIQPSJLMW-LRDDRELGSA-N 374.269 4.505 0 1 FJAF CCCN1CCc2nc(Nc3ccc(Oc4ccccc4)cc3)ncc2C1 1857584650 LSAHZUFVLSBGFT-UHFFFAOYSA-N 360.461 4.781 0 1 FJAF CCCC1CCC2(CCCN2CCOC(=O)NCc2ccccc2)CC1 205709699 DGSLFHFPAFECPF-UHFFFAOYSA-N 358.526 4.738 0 3 FJAF CN1CCc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc21 13737831 VUEKQQFQMBNDTO-UHFFFAOYSA-N 362.517 4.554 0 1 FJAF CC1(C)CN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1 22574309 YBDPFVPDVAAUOC-QUCCMNQESA-N 358.888 4.740 0 1 FJAF CCC(=O)[C@H](c1ccc(OC)cc1)C1CCN(CCc2ccccc2)CC1 27871652 SUFXNGJEXXOXCL-XMMPIXPASA-N 365.517 4.713 0 1 FJAF Cc1ccc(Oc2ccc(NC(=O)c3ccc4c[nH]nc4c3O)cc2)cc1 36185168 URMGSJXLSFBNTA-UHFFFAOYSA-N 359.385 4.622 0 1 FJAF Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nc(-c2ccncc2)c[nH]1 40873441 PKLGMAIBQNEJHW-UHFFFAOYSA-N 369.428 4.776 0 1 FJAF COc1cc2c(cc1Cl)CCN=C2c1cccc(Br)c1 49049897 NLBDGEQENFDEJW-UHFFFAOYSA-N 350.643 4.505 0 1 FJAF Cc1c(Sc2ccc(Cl)c(Cl)c2)ccc2nc(N)nc(N)c12 169337660 FNNGUKSZIXNARY-UHFFFAOYSA-N 351.262 4.561 0 1 FJAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(\CCC=C(C)C)COC(C)=O 238766471 WSBFBHTWXLODOA-IPLRIRKJSA-N 372.461 4.571 0 1 FJAF CC(C)c1cc(-c2nc3cc4c(cc3[nH]2)OCC(=O)N4)c(O)c(C(C)C)c1 586896902 UJPDBSWJQODXHP-UHFFFAOYSA-N 365.433 4.513 0 1 FJAF Sc1nc(S)c2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587048831 YXGOEPHXEMPVPQ-RITPCOANSA-N 369.302 4.508 0 1 FJAF O[C@H](c1nc2cc(Br)cc(Cl)c2[nH]1)c1ccccc1Cl 587058597 HILFFQKAZPWYBA-ZDUSSCGKSA-N 372.049 4.714 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(C(=O)O)co4)nc13)-c1ccccc1C2=O 587102344 WCKNMPJYFSJVOM-UHFFFAOYSA-N 355.349 4.713 0 1 FJAF Oc1c(F)cc(F)cc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587134066 KKNHQPCWJCROGB-UHFFFAOYSA-N 364.657 4.766 0 1 FJAF COC(=O)c1ccc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2c1 587194978 AIKUMEVGXINREH-UHFFFAOYSA-N 371.440 4.556 0 1 FJAF Cc1cc(Br)cc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587377332 MLFAZGVQSKYRGL-SFHVURJKSA-N 360.251 4.529 0 1 FJAF C[C@@]1(c2ccc(Br)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587495259 CMMUWIPMDQPRFO-IBGZPJMESA-N 372.262 4.604 0 1 FJAF C[C@@]1(c2c(Cl)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587500537 PSNGSFAKSJWOOZ-NRFANRHFSA-N 366.848 4.747 0 1 FJAF CC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601793 HRXYZQDDZDHXAH-REWPJTCUSA-N 360.409 4.968 0 1 FJAF CC(C)(C)C(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638292 VYAURIYBPDZAQZ-UHFFFAOYSA-N 363.282 4.749 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2F)N1 587715316 CFABEQSPGMIDEA-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF NC(=S)Cc1nc(-c2c(-c3ccc(F)cc3)[nH]c3ccccc23)cs1 587922386 CZAWNCVZGCIINU-UHFFFAOYSA-N 367.474 4.926 0 1 FJAF Cc1cc(C)c2c(N)c(C(=O)c3ccc(OC(F)(F)F)cc3)sc2n1 621431876 VZCHPGJHTCIPPY-UHFFFAOYSA-N 366.364 4.625 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](CCCN(C)C)(c2ccccc2)N1 962962422 VOZYUFGGQIMUBK-CYFREDJKSA-N 361.533 4.678 0 1 FJAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccc(C)cc1 1911586392 IPRWDYPIPQZLRH-IBGZPJMESA-N 373.294 4.511 0 1 FJAF CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C=CC[C@H](C)C(=O)O 2356520614 SVBYZDJRYNOEIV-KNJMJIDISA-N 364.526 4.794 0 1 FJAF CC(C)=CCCC(C)=CCC[C@H](CC(=O)c1cc(O)ccc1O)C(=O)O 2356654170 PNXHXPQJFNVWQM-MRXNPFEDSA-N 360.450 4.844 0 1 FJAF Cc1ccc([C@@H](O)c2nc(-c3ccc(C(F)(F)F)cc3)c[nH]2)cc1F 61929128 BHBJHZMUSRDJEN-MRXNPFEDSA-N 350.315 4.625 0 3 FJAF C#CSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947087 UYDMBIPEVBFZKB-RPHTVSPISA-N 354.515 4.702 0 1 FJAF CC(C)CC(C/C=C1/CO[C@@](CO)(COC(=O)C(C)(C)C)C1)CC(C)C 28525881 ZZNLNGDYKWBALR-PHKVRQNRSA-N 368.558 4.752 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28528779 YWKNRYHANZDVCM-QXUYBEEESA-N 350.506 4.815 0 1 FJAF FC(F)(F)c1cccc(Oc2ccc(OCCN3CCCC3)cc2)c1 71318344 GZMOHFLTIPOQHH-UHFFFAOYSA-N 351.368 4.972 0 1 FJAF Cc1ccc(N2C(=O)[C@H](c3ccccc3)C[C@H](c3ccccc3)C2=O)cc1 73197063 MZAMWDUMGIEZEU-SZPZYZBQSA-N 355.437 4.826 0 1 FJAF Nc1nc(Nc2ccc(C(F)(F)F)cc2)sc1C(=O)c1ccccc1 96905502 UGWSXXUCHWBRTD-UHFFFAOYSA-N 363.364 4.719 0 1 FJAF Cc1nc2[nH]c(CCc3cc4ccccc4o3)nc2cc1Br 586903218 GYHLWVZAJHWMBW-UHFFFAOYSA-N 356.223 4.560 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(SC)cc2[nH]1 586915549 FUGXGUGBEHGQFZ-QRWLVFNGSA-N 352.459 4.501 0 1 FJAF Cc1cc2c([nH]1)CCc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990558 ZBLOLBWHJQLMQU-UHFFFAOYSA-N 352.393 4.554 0 1 FJAF Cc1cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2cc1Cl 587003064 JQUHUZFICYXRGA-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1nc(COc2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cs1 587019978 AHYDOWAVAACYAQ-UHFFFAOYSA-N 357.385 4.852 0 1 FJAF COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1Cl 587028903 BEQPWJUIIFBCKI-UHFFFAOYSA-N 371.849 4.927 0 1 FJAF COc1cc2nc(-c3c(OC)c(Cl)cc(Cl)c3OC)[nH]c2cc1F 587044515 HATWDAMYBGIWBT-UHFFFAOYSA-N 371.195 4.702 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587049409 IFLIEJPYESHNBP-UHFFFAOYSA-N 356.159 4.773 0 1 FJAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1C 587077361 VVCPLIIAUWFQLB-UHFFFAOYSA-N 365.820 4.968 0 1 FJAF N[C@@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587157006 QQLRLDQAPZDMNA-JTSKRJEESA-N 359.404 4.836 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(c1cccs1)[C@@H](C2)C3=O 587428382 MUGSJWTZQPBPDY-HRAATJIYSA-N 366.413 4.587 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CSCc3c(F)cccc31)CC2=O 587470760 IKTFCJXXSFBZDJ-FQEVSTJZSA-N 358.434 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cc[nH]n3)s1)CC2=O 587495845 UZUZXAXKCDGTIG-MRXNPFEDSA-N 354.431 4.503 0 1 FJAF CCCn1nc(C2CC2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517033 ZMHKEALBWZXZFQ-OAQYLSRUSA-N 350.462 4.756 0 1 FJAF COc1cc(C)ccc1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587563321 BWVIFGLPWZSVBC-UHFFFAOYSA-N 372.424 4.690 0 1 FJAF CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609942 FAVQTVXSFSSBMP-PXNSSMCTSA-N 352.411 4.721 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2occc12 587618561 USYGEEFHEHGQQH-SIKLNZKXSA-N 358.349 4.841 0 1 FJAF COc1nccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c12 587783966 KEXYERLHBQZOOU-FMIVXFBMSA-N 357.413 4.716 0 1 FJAF Cc1cc(O)cc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587833734 PARHBNXPGNPOMT-ZMZPIMSZSA-N 364.258 4.534 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1sccc1C 587863794 ISVJRZDKBYCCNC-UHFFFAOYSA-N 366.364 4.636 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(-c2ccccc2)nc(C)n1 587871441 HHGIPFVPUCHELL-UHFFFAOYSA-N 374.419 4.843 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)cc1 587936083 RJHCJMUJYRNQOQ-FQEVSTJZSA-N 358.401 4.629 0 1 FJAF O=Cc1c(-c2ccccc2)nc2sc3cc(OC(F)(F)F)ccc3n12 957618013 GGSDSDKOXSSJJG-UHFFFAOYSA-N 362.332 4.927 0 1 FJAF CN1CCc2c(Br)cccc2[C@@]1(C)C1CCC(F)(F)CC1 963288881 GWAYZPDASPMVBD-MRXNPFEDSA-N 358.270 4.978 0 1 FJAF CN(CCOc1cc(COc2cccc(Cl)c2)on1)C1CCCCC1 1857541832 OMZCBZBIZKRNAB-UHFFFAOYSA-N 364.873 4.550 0 1 FJAF Cc1cc(NC(=O)Cc2ncc(-c3ccccc3)o2)n(C2CCCCC2)n1 1857573507 IFBJZEMBFDOSNU-UHFFFAOYSA-N 364.449 4.533 0 1 FJAF CCS(=O)(=O)Nc1ccccc1-c1cccc2c1[nH]c1ccccc12 1857643295 OEWGWFKOIQMQCR-UHFFFAOYSA-N 350.443 4.750 0 1 FJAF CC(=CCOc1c2occc2cc2ccc(=O)oc12)CCC(=O)C(C)C 2356401701 MGSJQKGFMSBYEO-UHFFFAOYSA-N 354.402 4.870 0 1 FJAF COC(=O)CC[C@@H]1[C@H]2CCC[C@@]23CC[C@H]2CN3C[C@@H](C(C)C)CC[C@]21C 2356545231 HJDGISYATUXIDQ-NYRCHLECSA-N 361.570 4.893 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]2C[C@@]3(C)[C@H]4C[C@]21C[C@]43C 2356580244 NLDXAZWXVUJQQN-KPCWMUDGSA-N 374.521 4.662 0 1 FJAF O=C(CNCc1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2382242907 NINJPMMTMWOQAN-UHFFFAOYSA-N 373.481 4.692 0 1 FJAF Cc1c(Cc2cccc3ccccc23)nc(SC2CCCC2)[nH]c1=O 13761931 IIALOYSJVJWXRV-UHFFFAOYSA-N 350.487 4.857 0 1 FJAF COc1ccc2c(c1)c(C(=O)C1C(C)(C)C1(C)C)cn2CC1CCOCC1 14975783 SHHVJVSDLZXOHR-UHFFFAOYSA-N 369.505 4.941 0 1 FJAF Cc1ccc(NC(=O)CCc2ccccc2)cc1NC(=O)c1ccc(O)cc1 26986099 JXOYBBCKNJQOJZ-UHFFFAOYSA-N 374.440 4.524 0 1 FJAF CC[C@@H](O)C(C[C@H](C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 28000801 YHPOEDVSZWYMCZ-WMZHIEFXSA-N 351.534 4.864 0 1 FJAF O=[S@](CCC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220386 NEIXCEZBNRYZQK-VWLOTQADSA-N 364.392 4.804 0 1 FJAF Cc1cccc(-c2ccc3c(c2)c(CC(N)=O)cn3Cc2ccccc2)c1 28888154 ACDZNAKMZQTDJF-UHFFFAOYSA-N 354.453 4.693 0 1 FJAF CO[C@@H]1Cc2sccc2C2(CCN(CCCCc3ccccc3)CC2)O1 40951248 ZPZLQTRNWNNBTL-NRFANRHFSA-N 371.546 4.607 0 1 FJAF CCC(CC)OC(=O)c1cc(/C=C/c2c(Cl)cncc2Cl)on1 45284256 SRQNWGPDSPYWDJ-AATRIKPKSA-N 355.221 4.892 0 1 FJAF O[C@H](c1nnc(Nc2cccc(C(F)(F)F)c2)s1)C1CCCCC1 82078142 BMVHFCBWTFFNPW-ZDUSSCGKSA-N 357.401 4.914 0 1 FJAF CC[C@@H](NC(C)(C)CO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 220691256 LPLQRYIISFJDKD-MRXNPFEDSA-N 363.860 4.522 0 1 FJAF CCCCNc1nccc(NCc2sc(-c3ccccc3)nc2C)n1 299865458 TXIMFFWLJNRXOB-UHFFFAOYSA-N 353.495 4.733 0 1 FJAF COc1cc2nc(-c3cnc(C)c(Br)c3C)[nH]c2cc1Cl 586978685 BEKWWSHLROATPS-UHFFFAOYSA-N 366.646 4.666 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c1 586982917 RYFCATYCEPFAFP-UHFFFAOYSA-N 353.578 4.597 0 1 FJAF CC(C)(C)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040522 HVTMSDHECPXYOL-ZWKOTPCHSA-N 351.519 4.807 0 1 FJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2cccc(Cl)c2[nH]1 587042505 LEIBHPLVGNXVLJ-ZDUSSCGKSA-N 364.257 4.525 0 1 FJAF N=c1[nH]ccc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082557 RLHCRWCJFCFSFG-UHFFFAOYSA-N 371.831 4.906 0 1 FJAF Clc1nccnc1N1CCC(c2nc3cc4ccccc4cc3[nH]2)CC1 587085477 WBOZKSXPHWZIBG-UHFFFAOYSA-N 363.852 4.544 0 1 FJAF COC(=O)C[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@H]1C 587097680 NORXYQFULLLUCP-KBPBESRZSA-N 371.436 4.594 0 1 FJAF Fc1ccc2nc(-c3cc(I)ccc3Cl)[nH]c2c1 587182849 OIZHULVZQHNODQ-UHFFFAOYSA-N 372.568 4.627 0 1 FJAF Cc1c(F)ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587192592 WHQIFEYSTWIOAU-SFHVURJKSA-N 369.440 4.967 0 1 FJAF Cc1cc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2cc1F 587197957 QHOICINYINXKNB-IBGZPJMESA-N 369.440 4.976 0 1 FJAF CCc1cc(=O)oc2cc(C)cc(OCc3cc4c5c(cccc5n3)CC4)c12 587215599 KBJKGGIPUMPTKZ-UHFFFAOYSA-N 371.436 4.890 0 1 FJAF CCC[C@H](O)[C@@]1(CCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347951 CGRJJBPGJAEADX-TUNNFDKTSA-N 372.436 4.590 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(N)cc1)(c1ccc(C)c(C)c1)O2 587389564 LKJHSSVPJWABBF-XMMPIXPASA-N 372.468 4.685 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)([C@H]1C[C@@H]1c1ccc(OC)cc1)CC2=O 587481210 QBJPYCVMQYDSQA-MSYCTHLASA-N 366.457 4.881 0 1 FJAF Cn1cc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587531963 OAZYHQWTQHPSAH-GOSISDBHSA-N 364.470 4.734 0 1 FJAF Cc1ccc(OC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587801335 KIAWKZIOAHTXFU-MLGOLLRUSA-N 364.258 4.551 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccc(O)cc2)N1 587835265 VWXAWDKTTIULOU-MTNBJQBKSA-N 362.242 4.583 0 1 FJAF CCOC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958444 CMXXURCBBQOGOL-UHFFFAOYSA-N 356.425 4.997 0 1 FJAF Cc1cccc2c([C@H]3NCCc4c3c(C(C)C)nn4C)c(C(C)(C)C)[nH]c12 962916346 JQDMTGVXRHXQJC-OAQYLSRUSA-N 364.537 4.866 0 1 FJAF Cc1sc2c(c1C)CCN[C@@H]2C[C@H](CC(C)C)NC(=O)OC(C)(C)C 963015254 WRZZQRHKALCBOB-DOTOQJQBSA-N 366.571 4.881 0 1 FJAF O[C@H](CCN1CC=C(c2ccc(F)cc2)CC1)c1ccc(F)c(Cl)c1 1857629088 LHSVULDHGHEPFH-HXUWFJFHSA-N 363.835 4.831 0 1 FJAF CN(C)c1ccc(-c2ccc3ncnc(NCc4ccccc4)c3c2)cc1 4258508 RUQXKKVIBSBOED-UHFFFAOYSA-N 354.457 4.975 0 1 FJAF Cc1nc(N2CCCCC2)c2[nH]c(Cc3cccc(C(F)(F)F)c3)cc2n1 13834975 HGYVSIRUPADAOK-UHFFFAOYSA-N 374.410 4.866 0 1 FJAF Cc1ccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)cc1 14945194 HDYAQZTYJSNOEK-UHFFFAOYSA-N 357.413 4.549 0 1 FJAF O=C(c1ccc(OCCCN2CCCC2)cc1)c1cccc2ccccc12 35814136 KGCGGQVJOWOQSD-UHFFFAOYSA-N 359.469 4.936 0 1 FJAF COc1cc(OC)c2c(c1)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2 45285606 CIPGTFNQXYGVFJ-UHFFFAOYSA-N 369.852 4.572 0 1 FJAF Cc1ccccc1NC(=O)Nc1cccn(Cc2ccccc2Cl)c1=O 64527130 CLQNWHYSPRXVOG-UHFFFAOYSA-N 367.836 4.502 0 1 FJAF CCOc1cccc(-c2nc(Cn3cc(-c4ccccc4)c(C)n3)co2)c1 72185978 DRQXXSTVSSNVRU-UHFFFAOYSA-N 359.429 4.961 0 1 FJAF Cc1cnc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21 118094573 TWZVRQMWEHTIFK-UHFFFAOYSA-N 373.500 4.809 0 1 FJAF CCc1ccc2c(c1)[C@H]1CN(CCCC(=O)c3ccc(F)cc3)CC[C@H]1N2 169330439 DQCBVOZIAOFELG-IFMALSPDSA-N 366.480 4.635 0 1 FJAF Oc1c(-c2nc3cc(Br)c(F)cc3[nH]2)ccc2c1CCCC2 586899348 YRXHYAZNRJVBRR-UHFFFAOYSA-N 361.214 4.716 0 1 FJAF CCOc1cc(/C=C\c2nc3ccccc3[nH]2)cc(Br)c1OC 586978651 ZPYFLSFQHRASHW-HJWRWDBZSA-N 373.250 4.903 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C)CC1(C4)OCCO1)-c1ccccc1C2=O 587101954 KAUFWIHLAMFZEV-CQSZACIVSA-N 371.436 4.547 0 1 FJAF CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342118 YXTASKWYGCGLLZ-UNMCSNQZSA-N 363.388 4.591 0 1 FJAF Cc1cccc(-c2csc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 587411551 DFFGALKPSQORLL-SFHVURJKSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@@H](C)OC)cc1)CC2=O 587479576 ISFVGRXXPKZJTH-PEBXRYMYSA-N 354.446 4.933 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1sc(Cl)nc1Cl)CC2=O 587494636 MXXZRRXNGSQOPP-LLVKDONJSA-N 358.246 4.815 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(ccn3C)c2)N1 587756789 MEWFEVHGWGQRGP-JEOXALJRSA-N 373.269 4.704 0 1 FJAF Cn1nc(C(C)(C)C)cc1-c1nc2ccc(-c3ccccc3Cl)nc2[nH]1 1772573047 OECXNZHNGALERK-UHFFFAOYSA-N 365.868 4.976 0 1 FJAF O=C(CCCCCCCCCCc1ccccc1)[C@H]1C(=O)[C@H](O)CC=C1O 2356613524 OTCZFMJSCRSWHW-FGZHOGPDSA-N 372.505 4.701 0 1 FJAF Cc1ccc(NC(=O)[C@@]2(C)CCN2Cc2csc3ccccc23)cc1 61930168 GXOXFKDMHUCIOS-OAQYLSRUSA-N 350.487 4.813 0 3 FJAF CCCc1c(OCCCCCCCCC(=O)O)ccc(C(C)=O)c1O 27733430 HQPGBTKYUVCVSH-UHFFFAOYSA-N 350.455 4.741 0 1 FJAF COc1cc(-c2snnc2-c2ccc(Cl)cc2)cc(OC)c1OC 28820918 BJKPUCOPWWRJSC-UHFFFAOYSA-N 362.838 4.551 0 1 FJAF O=C(c1cc(-c2cc(F)c(Cl)cc2Cl)n[nH]1)N1CCCCCC1 64600156 JMFHLDQOISHBPN-UHFFFAOYSA-N 356.228 4.539 0 1 FJAF COc1cc2c(Cc3ccc(SC)cc3)nccc2cc1OCCF 72105150 DBTFVZPIHHGTGT-UHFFFAOYSA-N 357.450 4.904 0 1 FJAF COc1ccc([C@H]2[C@@H](C)[C@@H](C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 85930426 IOTXFXWARGNLEJ-ZYKUOIRYSA-N 356.462 4.874 0 1 FJAF biogenic CCCNC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1 103255888 DEMZLQKTAXZBDF-UHFFFAOYSA-N 369.513 4.742 0 1 FJAF Cc1nccc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)n1 118749529 DHBYBIHVLGMSSY-UHFFFAOYSA-N 371.231 4.774 0 1 FJAF CCCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143602214 ZTUDKEZTBWCJFR-AWEZNQCLSA-N 373.424 4.959 0 1 FJAF O=C(c1ccccc1Br)[C@H](c1ccccc1)c1ccccn1 169333160 DXVCNAZOXZHAMR-GOSISDBHSA-N 352.231 4.859 0 1 FJAF O=C1O/C(=C/c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586906112 JKLHSMGCUDHJHR-DEDYPNTBSA-N 368.392 4.810 0 1 FJAF Cc1ccc(O)c2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990583 GLKPHYSSMNIWBD-UHFFFAOYSA-N 365.388 4.737 0 1 FJAF CC(=O)C[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586991682 VMSYLGLLIFADEP-ZDUSSCGKSA-N 357.409 4.551 0 1 FJAF Fc1cc(Br)cc2nc(CSCc3ccsc3)[nH]c12 587025461 GPDQLHWRIZEVNB-UHFFFAOYSA-N 357.273 4.959 0 1 FJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncnc(Cl)c4[nH]3)c21 587031155 PBLIFIGDCBJLKL-JTQLQIEISA-N 369.881 4.965 0 1 FJAF Nc1cc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2cc1N 587122998 APSIVMJANICJMU-ZZXKWVIFSA-N 350.369 4.510 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1 587192701 ZOLPLLLZDSRKRG-INIZCTEOSA-N 372.856 4.568 0 1 FJAF c1ccc(CN2CCC[C@@]23CCc2nc4cccc5c4c(c2C3)CC5)cc1 587211405 DRACMRWFVSNMLC-VWLOTQADSA-N 354.497 4.857 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1ccc(Cl)c(Cl)c1)O2 587374120 GRXUSXIZIWJQMU-LBPRGKRZSA-N 350.245 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1nc(C)cs1)CC2=O 587495394 QSTKMAUCAUTVSQ-SFHVURJKSA-N 368.458 4.607 0 1 FJAF Cc1[nH]c2ccccc2c(=N)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512460 YEHFEHDEYJEGPR-DEOSSOPVSA-N 372.468 4.715 0 1 FJAF O=C1C[C@@H](c2ccnc(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587515768 QYATYQNSAYBRLY-NRFANRHFSA-N 356.425 4.729 0 1 FJAF CC(C)(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587578867 RZGKZMSMAGFWOB-WIYYLYMNSA-N 363.413 4.652 0 1 FJAF Cc1ccc(-c2[nH]c3ccc(S(C)(=O)=O)cc3c2-c2ccccn2)cc1 587651621 XEBXJPCEIPJLCL-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587722659 ZMTHPIWWQAFEHH-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587748323 WFXKYCJKBJHJDI-ADLMAVQZSA-N 359.242 4.937 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ncccc23)N1 587777003 FJTYGJUDSVISNJ-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CC[C@@]1(Cc2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831540 XSEUJVRZIUOVOC-GTNSWQLSSA-N 352.247 4.563 0 1 FJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587935792 JGECXKSORLXIHB-ABKXIKBNSA-N 368.330 4.567 0 1 FJAF CSc1ccccc1[C@@]1(C2CCCC2)NCCc2c(C(=O)O)cccc21 963130587 KLSTWXHGSIOQLY-QFIPXVFZSA-N 367.514 4.686 0 1 FJAF CCCc1[nH]nc2c1[C@H](c1ccccc1)c1c(nc3c(c1N)CCCC3)O2 1772583195 SXVWBXBRRDKJSA-KRWDZBQOSA-N 360.461 4.504 0 1 FJAF CCN(CC)c1ccc(NC(=O)c2cc(C)oc2-c2cc(C)on2)cc1 1857555048 ODEKNMDFMSYWJO-UHFFFAOYSA-N 353.422 4.650 0 1 FJAF FC(F)(F)Oc1ccc(N=c2cc3[nH]c(-c4ccccn4)cc3c[nH]2)cc1 1857583871 BHCPGFYZBFQFMU-UHFFFAOYSA-N 370.334 4.689 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)c(Cl)c1)c1cc(Cl)ccc1O 1857588800 LNLGEHREZHIGPV-UHFFFAOYSA-N 350.123 4.970 0 1 FJAF CCCCN(C=O)c1c(CC)nc2c(OCC3CCCCC3)cccn12 61926564 HGWDMKOWLVDGEX-UHFFFAOYSA-N 357.498 4.619 0 3 FJAF COc1ccccc1-c1c(C)nn2c(N(C)C3CCCCC3)cc(C)nc12 3063588 SSKKADOXSJBHIL-UHFFFAOYSA-N 364.493 4.791 0 1 FJAF CC(C)(C)c1cc(C2CCCCC2)ccc1OC(=O)c1ccc[n+]([O-])c1 5355230 PKTVPGYSIOIYJT-UHFFFAOYSA-N 353.462 4.884 0 1 FJAF CC1CCN(C(=O)c2oc3ccccc3c2NC(=O)c2cccs2)CC1 9265687 XPBUQIJVTOZFLC-UHFFFAOYSA-N 368.458 4.619 0 1 FJAF O=S(=O)(CCCCCCc1ccccc1)c1ncc(-c2ccco2)o1 28357626 BAAUWIQDVIDBQB-UHFFFAOYSA-N 359.447 4.511 0 1 FJAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(Cl)c1O 40834691 ARPHTRQCUAXYGU-IDNTVEGQSA-N 364.869 4.825 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@H]1OC(=O)C(C)=C1C(=O)O 85945694 KYSXDEQQOVVLIN-GOSISDBHSA-N 366.498 4.973 0 1 FJAF biogenic COc1ccc(/C=C\C=C\C=C\c2cc(OC)c(OC)c(OC)c2)cc1O 98083158 QYNUEGJOUPCWKD-YHDXSUECSA-N 368.429 4.709 0 1 FJAF CCc1oc2ccccc2c1-c1nc2cc(C(=O)OC)cc(Cl)c2[nH]1 586904343 SKMBAXWIMYGRPY-UHFFFAOYSA-N 354.793 4.979 0 1 FJAF CCc1ccc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2c1 586914314 BUANAKVJZIRQPB-UHFFFAOYSA-N 358.397 4.894 0 1 FJAF COc1cc(/C=C\c2nc3cc(C)cc(F)c3[nH]2)ccc1Br 586978163 YGNWJRYHOFUQFB-XQRVVYSFSA-N 361.214 4.952 0 1 FJAF Fc1cc(F)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc2c1 587017962 UKXGCIPAPCTKDM-UHFFFAOYSA-N 355.369 4.567 0 1 FJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4ncnc(Cl)c4[nH]3)c21 587031158 PBLIFIGDCBJLKL-SNVBAGLBSA-N 369.881 4.965 0 1 FJAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587070102 PSSBRFNVIAMNDT-GFCCVEGCSA-N 370.836 4.754 0 1 FJAF O=C(CCCc1nc2cccc(C(F)(F)F)c2[nH]1)c1ccc(Cl)cn1 587081606 DBGIQPDGVHPBJD-UHFFFAOYSA-N 367.758 4.836 0 1 FJAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)C=C1C 587108163 WAGQAYDSFMZZEK-KRWDZBQOSA-N 369.420 4.585 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cnc3ccccc3c2[nH]1)C(C)(C)C 587204165 IZZCMPKUWJAGBA-INIZCTEOSA-N 368.481 4.593 0 1 FJAF O=C1c2ccccc2-c2cc(-c3scc4c3OCCO4)nc3cccc1c23 587208107 LJIMAPCOQVZDOL-UHFFFAOYSA-N 371.417 4.946 0 1 FJAF C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338644 XXFNJCLSVVYXHM-IRLDBZIGSA-N 366.363 4.945 0 1 FJAF CCCCCn1c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587388999 CTTFJTQFCQAHDX-HXUWFJFHSA-N 363.461 4.824 0 1 FJAF CCCc1ccc([C@@]2(C(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442017 JKOKSFIIDVWGRF-AUSIDOKSSA-N 350.458 4.947 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccc(C)c1)CC2=O 587488169 YPYJOJOVOOBVMA-FQEVSTJZSA-N 362.429 4.750 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccncc1)(c1ccccc1)CC2=O 587488235 HYBPMJLIVFTUKO-XMMPIXPASA-N 373.452 4.843 0 1 FJAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1-c1cccnc1 587514537 ZLEXEFYJJHTXPD-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF CCn1nc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587516949 YCSMKLCEZCTGSN-QGZVFWFLSA-N 374.484 4.902 0 1 FJAF Cn1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1-c1ccccc1 587517269 KCZXAEQLXMQDDH-OAQYLSRUSA-N 358.441 4.672 0 1 FJAF Cn1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587574456 AZALMLHGNNNKFY-REWPJTCUSA-N 371.392 4.587 0 1 FJAF CC(C)[C@@H]1CCC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601304 CNWLKNWGUDYKEY-YIFZBPKDSA-N 352.430 4.939 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603646 OOSYRBJASYJXBU-NFBKMPQASA-N 358.393 4.504 0 1 FJAF CSC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587607914 OQXNCYDBRIOYSE-OXJNMPFZSA-N 358.459 4.644 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 587932553 GFMZJCHXGQLBSI-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF C[C@@H]1CCCc2ccccc2[C@@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962729370 IAMXEWDOFPBGNQ-RFVSGWPVSA-N 373.418 4.548 0 1 FJAF CC(C)=CCc1cc(/C=C/C(=O)O)cc(NC(=O)CCc2ccccc2)c1 1857560565 OLZABESEMNMHRL-ACCUITESSA-N 363.457 4.864 0 1 FJAF C[C@@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)CC1 2356747236 ZSDHBKWEFFUPKB-NRJQMVOHSA-N 372.505 4.569 0 1 FJAF Cc1nc(CCCCCC[C@@H](O)c2ccccc2)n2nc(Cl)ccc12 5891776 GLBSNDUVYMWILA-GOSISDBHSA-N 357.885 4.918 0 1 FJAF CC(C)=CCC/C(C)=C/CCCC[C@H](P(=O)(O)O)[P@](C)(=O)O 13742060 TXSAXNBTLJLALN-IPJDOKCGSA-N 352.348 4.644 0 1 FJAF O=C(CCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2)c1cccs1 13827340 GZLRSKHJKSOBOU-KBXCAEBGSA-N 350.487 4.954 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCC[C@@H]1N(C)C 28237282 CKBBSTXXVDRFDD-DLBZAZTESA-N 357.325 4.999 0 1 FJAF O=c1c(-c2ccccc2Cl)cc(-c2ccccn2)cn1-c1cccnc1 38444569 MRTOEHCBCUGICH-UHFFFAOYSA-N 359.816 4.615 0 1 FJAF O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)cc1 39829996 QNZBVIYOTZMPOA-RMKNXTFCSA-N 356.393 4.968 0 1 FJAF C[C@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 40915846 FAZGTKALGZTMQB-UHFSGOIRSA-N 354.490 4.960 0 1 FJAF COC(=O)[C@H](c1cccc(Cl)c1)[C@H]1CCCCN1Cc1ccccc1 64251786 QUIVXFJDADACBW-WOJBJXKFSA-N 357.881 4.651 0 1 FJAF in-vivo FC(F)(F)Oc1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1 66112000 JZHOADSBUGKCTH-UHFFFAOYSA-N 372.390 4.748 0 1 FJAF CC(=O)O[C@H]1C[C@@H](C)[C@](O)(CCc2ccoc2)[C@@]2(C)CCCC(C)(C)[C@H]12 85541706 QKHCQFQIJKXMOE-WGMIIJIISA-N 362.510 4.747 0 1 FJAF biogenic,in-vitro CCCCCOc1nc2ccccc2cc1[C@H](O)CCCCCC(=O)O 95540043 SNADZOMJIROEOR-LJQANCHMSA-N 359.466 4.872 0 1 FJAF S=C(NCCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1c(Cl)cccc12 100596670 RQXZCPUCPTUARH-CRAIPNDOSA-N 356.922 4.691 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(CCc2cccs2)CC1 103230037 JMBXBTYIZOYHHH-LJQANCHMSA-N 356.535 4.588 0 1 FJAF Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2cn[nH]c2)cc1 199836948 NMAFYRAZICCKEL-UHFFFAOYSA-N 361.854 4.763 0 1 FJAF CC(C)(C)c1ccc(-c2ccc([C@]3(O)CN4CCCC[C@@H]4CO3)cc2)cc1 473112310 CMJYCIHZKRQNTI-VWNXMTODSA-N 365.517 4.681 0 1 FJAF c1ccc(CNCC[C@H]2COCC(c3ccccc3)(c3ccccc3)O2)cc1 473167244 GXWZMLKZZVQKSW-DEOSSOPVSA-N 373.496 4.526 0 1 FJAF COC(=O)c1ccc(Oc2ccc3nc(C(C)(C)CSC)[nH]c3c2)cc1 586968575 FZNFHOIHWVEYPF-UHFFFAOYSA-N 370.474 4.782 0 1 FJAF Clc1cnc(Br)c(-c2nc3cc4ccccc4cc3[nH]2)n1 587005773 RFUJTFLMYDRCGK-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2c(Br)ccnc2[nH]1 587066394 MILPQJFJUDMUBR-SECBINFHSA-N 366.646 4.822 0 1 FJAF Oc1cccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150055 JYEDYQWLBLPBOD-LJQANCHMSA-N 352.340 4.715 0 1 FJAF O=C(/C=C\c1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166937 KLSNNTNMMJOFQM-WAYWQWQTSA-N 350.180 4.661 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C)c3C)nc1)O2 587394309 TXRRMDFLRCJTLE-JOCHJYFZSA-N 358.441 4.963 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3cccc(O)c3)c1)O2 587404425 QAXBIDZXRGSTKN-HSZRJFAPSA-N 359.425 4.830 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)s1)(C1CCC1)[C@@H](C2)C3=O 587450232 ICLLBFPICFNDCR-ORAYPTAESA-N 360.862 4.853 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](c2ccccc2)OC1(C)C 587482268 DLONSBOSMREGKN-NZQKXSOJSA-N 366.457 4.989 0 1 FJAF CC(C)[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614101 RANJVEADFJWDQY-NQIIRXRSSA-N 366.438 4.967 0 1 FJAF Cc1cc(Br)ccc1-c1[nH]c2cc(F)ccc2c1CC(=O)O 587632559 JWOFSSGPUZEHRG-UHFFFAOYSA-N 362.198 4.672 0 1 FJAF Cc1c(-c2ccc(F)c(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650484 XLDOVIVNXADBMU-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)c(Cl)c2)N1 587696549 PRPBXSCVQBWCFN-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(F)c2)N1 587725940 TUQPCSAWGFDIPI-HUTHGQBESA-N 370.212 4.664 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1 587864520 LGDKYMOZBCTLQU-UHFFFAOYSA-N 360.335 4.656 0 1 FJAF CC[C@]1(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)CC(=O)c2ccccc2C1 587959912 ITQBONLSNUBHEO-LJQANCHMSA-N 373.378 4.745 0 1 FJAF O=C(O)Cc1ccc(Cc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587961702 NYYCIWLGXZTHNJ-UHFFFAOYSA-N 358.397 4.573 0 1 FJAF COc1cc(C=O)ccc1-c1cc2c(Nc3ccccc3)ncnc2s1 653710230 YKBSTCIMMWNFBG-UHFFFAOYSA-N 361.426 4.923 0 1 FJAF CC(C)(c1ccccc1)[C@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730438 NRMHQMGQLKIQEN-YLJYHZDGSA-N 361.407 4.525 0 1 FJAF COC(=O)Cc1ccc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)c-2cc1 1857655330 RDTYOBWFAPSNQF-UHFFFAOYSA-N 372.342 4.757 0 1 FJAF CCOC(=O)c1cc2ccccc2n1C1CCN(Cc2ccccc2)CC1 95569752 BNMLQSCLSBGZAH-UHFFFAOYSA-N 362.473 4.655 0 3 FJAF C[C@]12CCC=CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](c3ccc(=O)oc3)CC[C@]12O 5648532 KBOQXVVZFSWICE-NTQRXFJSSA-N 366.501 4.967 0 1 FJAF biogenic COc1ccc([C@@H]2CC(=O)c3c(O)c(C)c(O)c(CC=C(C)C)c3O2)cc1 14815258 LLJWVWIUMYXGDE-SFHVURJKSA-N 368.429 4.630 0 1 FJAF biogenic C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26397024 SYCPRHSKXPRURM-FBAXFMHRSA-N 359.554 4.645 0 1 FJAF O[C@@](Cn1cccc1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26849730 LOOXBAFMFWBQIY-HSZRJFAPSA-N 358.416 4.625 0 1 FJAF c1ccc(CN2CCN(C3=Nc4ccccc4Nc4cscc43)CC2)cc1 28000696 MPLQFWYFQDTDNO-UHFFFAOYSA-N 374.513 4.701 0 1 FJAF Cc1ccsc1CN(C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 28825434 REFOKOYWCWAHCW-DFNIBXOVSA-N 370.518 4.825 0 1 FJAF COc1cc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 33832943 YPQNDHHCUQGPFN-WVGOSAFVSA-N 358.434 4.503 0 1 FJAF biogenic,in-vitro CC(C)(C[C@@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1 35876734 ULOAOMMDFZMTER-IBGZPJMESA-N 362.395 4.767 0 1 FJAF Fc1cccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)c1 72185404 MRWSZRMWDZBADK-UHFFFAOYSA-N 350.315 4.789 0 1 FJAF Fc1ccc(NCn2nc(-c3ccc4ccccc4n3)oc2=S)cc1 95593721 LLEBEPFYXKHPCC-UHFFFAOYSA-N 352.394 4.629 0 1 FJAF COc1ccc(C)n2nc(/C=C/c3cc(Cl)c4cccc(F)c4n3)nc12 144580234 IGJRVXPXQLTRFL-VQHVLOKHSA-N 368.799 4.557 0 1 FJAF CCCC(=O)OCCc1c(C)cc2c(c1COC(=O)CCC)CC(C)(C)C2 144581544 RPDLAJDEIDDXIU-UHFFFAOYSA-N 374.521 4.849 0 1 FJAF CCC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314011 JVJYOCYVDQOIIM-XSHFPWBXSA-N 350.289 4.839 0 1 FJAF Cc1cccc(OCCCCCC(=O)Nc2ccnc(C(F)(F)F)c2)c1 299858896 FBZCQKBBCUKSML-UHFFFAOYSA-N 366.383 4.987 0 1 FJAF Clc1cccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587012958 PFYNJTHKXRBVSZ-UHFFFAOYSA-N 354.660 4.980 0 1 FJAF Nc1c(-c2nc3cccc(F)c3[nH]2)sc2cc(Br)ccc12 587032537 UINKLCLIQNWBHF-UHFFFAOYSA-N 362.227 4.928 0 1 FJAF Cc1nn(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)c(C)c1Cl 587065849 ZNPVXYUVXBFBPL-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF Fc1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587083912 CDALYEIQZLRFOJ-UHFFFAOYSA-N 366.621 4.593 0 1 FJAF Fc1c(F)c(-c2nc3ccc4c(c3[nH]2)CCCC4)c(F)c(F)c1S 587133944 FUOIEJLFEBVEMH-UHFFFAOYSA-N 352.356 4.954 0 1 FJAF CN(C)[C@H](c1ccc(F)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587164604 XNAMJYAMICLCLX-OAHLLOKOSA-N 355.310 4.511 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)c(C=O)cc3ccccc13)O2 587375968 BEHMICKHPVLAGP-SFHVURJKSA-N 365.816 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-n3cnc4ccccc43)cc1)O2 587390695 NFIXBZPVJWCQLY-QFIPXVFZSA-N 369.424 4.623 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(C(=O)C4CCCC4)cc1)[C@@H](C2)C3=O 587443500 AQNWUXRKTAGXQW-FDDCHVKYSA-N 362.425 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(N)c1)CC2=O 587468146 BJTIGVKSZZUOLI-XMMPIXPASA-N 373.452 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(OC)cc13)CC2=O 587482494 JDFMYQSQHHUBIG-HXUWFJFHSA-N 351.402 4.541 0 1 FJAF C[C@@]1(c2cnc(Cl)nc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587499890 NUXKNESSXBXZFQ-SFHVURJKSA-N 363.244 4.543 0 1 FJAF O=C1C[C@]2(CCCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587515171 QRZGCUCDKSPNIB-DEOSSOPVSA-N 361.485 4.565 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Cl)c1 587558475 SLBVQAJYXYRWNR-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF CCc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559788 YYBRQBNEPRHZSB-UGKGYDQZSA-N 364.372 4.797 0 1 FJAF O=Cc1ccc(OCCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587566616 WCTMPSSVAZOAKL-UHFFFAOYSA-N 372.424 4.576 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3)CC2)N1 587820707 QEUINDGRBBVZIT-SGTLLEGYSA-N 360.270 4.895 0 1 FJAF CCC[C@]1(Cc2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828954 PHGBKBXKXBGTKW-KPZWWZAWSA-N 366.274 4.954 0 1 FJAF COC(=O)c1cc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2cn1 587949186 ADQDXFIFRKZNNC-VAWYXSNFSA-N 371.396 4.707 0 1 FJAF CCCC/C=C/c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587965824 PRBQVVCXEUMTGU-BQYQJAHWSA-N 351.244 4.706 0 1 FJAF Fc1cnc(Br)c2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587969023 XVGRETXTVFDZPE-UHFFFAOYSA-N 362.246 4.699 0 1 FJAF Cc1cc2c(cc1F)[C@](c1cc(F)c(F)c(F)c1)(C(C)(C)C)NCC2 962093084 ORAQAKBKANXTTF-HXUWFJFHSA-N 351.387 4.987 0 1 FJAF CC(C)(c1ccccc1)[C@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730435 NRMHQMGQLKIQEN-FXAWDEMLSA-N 361.407 4.525 0 1 FJAF Cc1sc2c(c1C)CCN[C@@H]2c1cccc2c1OC(F)(F)C(F)(F)O2 963005447 FGAQUBPZQPRXRJ-CYBMUJFWSA-N 373.371 4.557 0 1 FJAF COc1ccc(-c2cc3c(=N[C@H](C)c4ccc(F)cc4)nc[nH]c3o2)cc1 1772579783 JDAADPSQUJZOJL-CYBMUJFWSA-N 363.392 4.633 0 1 FJAF COc1ccc2c(c1)CCN2c1nc(C)nc2c(Cc3ccccc3)c[nH]c12 1772647962 OECKCOWMOMORQW-UHFFFAOYSA-N 370.456 4.560 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(F)c(F)c21 1857596067 RIHHHQVVZXLLLA-UHFFFAOYSA-N 364.395 4.619 0 1 FJAF CO[C@H]1Cc2ccccc2C2(CCC(NCc3ccc(C)cc3C)CC2)O1 1857631759 VZUSSQMIRYIEKX-SHSGKGFPSA-N 365.517 4.776 0 1 FJAF CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 2356549569 HCYUBEIEJHOEDS-OPAMFIHVSA-N 374.477 4.536 0 1 FJAF Nc1ncc(-c2ccc(C(=O)O)cc2)cc1-c1ccc(C(F)(F)F)cc1 2382251808 XFCSIUSQRDAIIU-UHFFFAOYSA-N 358.319 4.715 0 1 FJAF C[C@H](Nc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccccc1 1503830 NJXAXNHNWJXUJG-INIZCTEOSA-N 353.429 4.774 0 1 FJAF COc1ccccc1-c1c(C)nn2c(N(C)Cc3ccccc3)cc(C)nc12 3063594 RXNOEJPHSCAUON-UHFFFAOYSA-N 372.472 4.658 0 1 FJAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@@H]3CCCN3C2=O)cc1 29404618 NIPYFGRVPHWLQW-KRWDZBQOSA-N 365.498 4.723 0 1 FJAF CCCn1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29568543 UMNZEQMSNKRVBA-UHFFFAOYSA-N 362.521 4.565 0 1 FJAF CCCCCOc1c(CCC)cc(Cc2cnc(N)nc2N)cc1CCC 45202476 WETHRPVYAVIZAR-UHFFFAOYSA-N 370.541 4.706 0 1 FJAF c1ccc(Cn2cc(-c3ccc4[nH]nc(-c5ccccc5)c4c3)nn2)cc1 63539985 AGYZUONRISUOIK-UHFFFAOYSA-N 351.413 4.537 0 1 FJAF CCN(C)c1ncc(-c2nc(-c3ccccc3)c(C)o2)c(-c2ccco2)n1 82166431 RESGSBAKSRHBII-UHFFFAOYSA-N 360.417 4.823 0 1 FJAF c1cncc(CNc2ccn3ncc(-c4ccc5ccccc5c4)c3n2)c1 96286352 WTJIDWOBNGLCKI-UHFFFAOYSA-N 351.413 4.557 0 1 FJAF CC1(C)CCN(C(=O)c2ccc(C3CC3)c(Cc3ccc(F)cc3)n2)CC1 146198729 DVYOWTKVBICBOZ-UHFFFAOYSA-N 366.480 4.951 0 1 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 255287826 ZUKZAQFFEBCYLE-JPEVTHOXSA-N 358.614 4.890 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(SC)cc2[nH]1 586915550 FUGXGUGBEHGQFZ-YWZLYKJASA-N 352.459 4.501 0 1 FJAF CC(C)C(=O)Nc1ccc(Cl)c(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587052110 ZNCNHMMSXZPUMR-UHFFFAOYSA-N 367.211 4.665 0 1 FJAF COc1cccc(-c2ccc(-c3nc4ccnc(O)c4[nH]3)c(Cl)c2)c1 587052616 YEGLYHJUGIEKTD-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587062255 PGQHSUZFUISEHK-AWEZNQCLSA-N 374.824 4.542 0 1 FJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc(F)cnc4[nH]3)c2)cc1 587067729 MVPDCOQRFFRFCR-UHFFFAOYSA-N 353.784 4.577 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587084303 XNMKJKHDAICBIP-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4c(Cl)ncnc4[nH]3)ccc2F)cc1 587139695 QMPXGTJJXPNUFV-UHFFFAOYSA-N 366.783 4.682 0 1 FJAF Cc1c(Cl)ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587147248 IGENUABUMJGYAU-UHFFFAOYSA-N 358.779 4.870 0 1 FJAF CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336958 LFFTZRXAHLLRPT-IRLDBZIGSA-N 363.388 4.591 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)Nc3ccccc31)O2 587402000 UZWSXZIZYRKFOF-QPPBQGQZSA-N 370.452 4.995 0 1 FJAF CC[C@@]1(c2ccccc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414777 XIKSOSVYXYTUTI-KUHUBIRLSA-N 373.246 4.511 0 1 FJAF Cc1nc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587498421 IGNKGRWPPSWGCQ-CQSZACIVSA-N 363.244 4.677 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)[C@H]1CC[C@H]2N(Cc2ccccc2)C1 587519169 WAQYRBFKZDRUKP-CYSDGLOUSA-N 373.496 4.564 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2[nH]ccc2c1 587592910 ZFBJLTSRPQHORF-KNQAVFIVSA-N 357.365 4.576 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Cl 587614311 RTPKCWXOKIWVLT-RHSMWYFYSA-N 358.802 4.810 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(Cl)c2)N1 587705853 ZRZWTHDIJIOTLW-FVMDXXJSSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCC3)N1 587815410 MGSKWZNPTMMCRS-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF Cc1ccc(Cl)c(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587872757 PYIDGRFZJLMTNF-UHFFFAOYSA-N 358.756 4.476 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587951892 JONAYJYNALMITA-MDYRTPRTSA-N 359.514 4.550 0 1 FJAF CC(C)(CC(=O)O)Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587955214 IESLQADNQGIDTQ-UHFFFAOYSA-N 368.277 4.644 0 1 FJAF CCCn1cc([C@@H]2c3cc(OC)ccc3CCN2C(C)C)c(C2CC2)n1 962085838 BMMLTMOVFWFXAE-QFIPXVFZSA-N 353.510 4.535 0 1 FJAF C[C@H](C[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12)CC(C)(C)C 962671754 SRFLTNQAAHPGLC-BIFSNJIPSA-N 368.521 4.837 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCc2ccc(O)c(OC)c2)N1 962963455 ZASXEYGAROWRLE-QMHKHESXSA-N 364.489 4.654 0 1 FJAF Cc1cc(C)c2c(=O)c([C@@H]3NCCc4c(Cl)cc(Cl)cc43)coc2c1 963118418 FVRDQOFYWFXQQS-LJQANCHMSA-N 374.267 4.952 0 1 FJAF O=C(O)Cc1cccc(Sc2nc3cc(Cl)c(Cl)cc3[nH]2)c1 1772646089 KUGMLOJDIGSBHS-UHFFFAOYSA-N 353.230 4.648 0 1 FJAF CCOCc1ccc(O)c(Cc2ccc(O)c(Cc3ccc(O)cc3)c2)c1 1857553405 VFURDENLYWKYCA-UHFFFAOYSA-N 364.441 4.522 0 1 FJAF Brc1cccc([C@H](Cn2ccnc2)OCc2ccccc2)c1 1857591526 WNBITPSIBJDZAZ-SFHVURJKSA-N 357.251 4.604 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](Cc1ccc(Cl)cc1)C(=O)N2 1857749163 YLQYCDNFSWMVDY-GOSISDBHSA-N 368.820 4.554 0 1 FJAF O=C(O)Cc1csc2cc(O[C@H]3CCc4ncccc43)cc(Cl)c12 2382240357 SEQWWMWMLLFKLT-HNNXBMFYSA-N 359.834 4.643 0 1 FJAF COc1ccc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)cc1O 2382249310 LEPLKNGVBFCGPL-UHFFFAOYSA-N 359.429 4.901 0 1 FJAF CCCc1nc2ccc(Br)cn2c1Cc1ccccc1OC 72136541 ZLKUUFLCCBLXMI-UHFFFAOYSA-N 359.267 4.649 0 3 FJAF COc1ccccc1N1CCN(CC/C=C2\CCCc3ccccc32)CC1 13740665 NWZQVOAMBHTGNW-SRZZPIQSSA-N 362.517 4.627 0 1 FJAF O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@@H]1Sc1ccccc1 18166893 DYDHMUUVUPWECJ-OAQYLSRUSA-N 374.461 4.607 0 1 FJAF COc1ccc([C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1OC1CCCC1 34095831 NAEOZGVJWOAYEW-SFHVURJKSA-N 365.473 4.846 0 1 FJAF CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@H]1c1ccc(Cl)cc1 45254811 WDNUTPYREZHSTO-HNNXBMFYSA-N 370.865 4.669 0 1 FJAF CCC(CC)Nc1cc(Nc2ccc(OC)cc2Cl)nc2ccnn12 72116821 LHRKSJNQWAPZEB-UHFFFAOYSA-N 359.861 4.735 0 1 FJAF O=C(Nc1ccccc1)c1cccc(NC(=O)c2cc(Cl)ccc2O)c1 95594099 DKLBMNYPWTZNSV-UHFFFAOYSA-N 366.804 4.550 0 1 FJAF CCOC(=O)[C@@H](c1ccccc1)C(c1ccc(O)cc1)c1ccc(O)cc1 96931876 KTXKFXVYUJCGDX-QFIPXVFZSA-N 362.425 4.577 0 1 FJAF Cc1ccc(C(=O)OCC2=C3C(=O)O[C@@H](c4ccoc4)[C@]3(C)CCC2)cc1 103206628 ZDPCGMVVZHWXPP-SIKLNZKXSA-N 366.413 4.530 0 1 FJAF COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)cc2C)c1 103278788 OWIXXPFYJBLGOI-UHFFFAOYSA-N 352.365 4.647 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c([N+](=O)[O-])c3CC[C@H]21 145624782 BMSNLFKXRWSZRA-DUXKGJEZSA-N 359.466 4.902 0 1 FJAF c1ccc(CN2CCC(Nc3nc4ccsc4n4cccc34)CC2)cc1 169329275 UXSALLQHLMCUCB-UHFFFAOYSA-N 362.502 4.626 0 1 FJAF CCCCSc1nc([C@@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 169352250 WYKNFUMAIWZRCQ-NSHDSACASA-N 352.450 4.655 0 1 FJAF COc1ccccc1-c1ccc2ncc(-c3ccc(F)c(Cl)c3)n2n1 223803179 COBMYISUBMVUNE-UHFFFAOYSA-N 353.784 4.864 0 1 FJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2c1 586902207 CNDYFBJESSWMNM-UHFFFAOYSA-N 360.413 4.904 0 1 FJAF CCCC(=O)O[C@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989224 BSAFXROLOSYDQI-GFCCVEGCSA-N 361.397 4.556 0 1 FJAF CCOC(=O)Cc1ccc2[nH]c(-c3cc4c(s3)CC[C@H](C)C4)nc2c1 587034390 UAVQSURHRKQGQE-LBPRGKRZSA-N 354.475 4.522 0 1 FJAF CC(C)(C)c1cccc2nc(C(F)(Br)Br)[nH]c12 587086910 IQNDKBBBPJIBLL-UHFFFAOYSA-N 364.056 4.730 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cncc(Br)c4[nH]3)c(Cl)c2c1 587174686 RFJLRZCMBYKGIO-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587195773 MPGNWLSCWWIPHY-JTQLQIEISA-N 351.347 4.939 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(NC(=O)OC(C)(C)C)c1)O2 587392414 YUWSAYCNEDDIEW-GOSISDBHSA-N 368.433 4.631 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@@H](C)c1nc3ccccc3s1)O2 587415824 YNVUJSLEYRYCQX-YUNKPMOVSA-N 352.459 4.715 0 1 FJAF COc1ccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)cc1 587442688 NDLATCUTHXRXDT-HYBUGGRVSA-N 372.420 4.860 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccccc4OC)c1)[C@@H](C2)C3=O 587443219 POFOUTOACFKKMJ-CYFREDJKSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)nc(Cl)c1)CC2=O 587459589 DMUUOHRNTRBOLP-AWEZNQCLSA-N 352.217 4.753 0 1 FJAF CC(=O)[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587500615 MLGVMJIRUJRHNY-OAQYLSRUSA-N 354.833 4.669 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCC2(CC1)CC2 587602965 KFYULLXZHZXIRR-WIYYLYMNSA-N 350.414 4.693 0 1 FJAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587615477 XNLWAFJFZNBUSO-RXVVDRJESA-N 366.438 4.948 0 1 FJAF CCOc1ccccc1OCc1nc2cc(C)c(Br)cc2[nH]1 587780325 PULJCQOGNPCSEZ-UHFFFAOYSA-N 361.239 4.612 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587826952 HELCEMFDBBIATD-DYZYQPBXSA-N 352.247 4.596 0 1 FJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cccc(OCc5ccccc5)c4[nH]1)(C3)C2 587968849 GOECOWNFWRMFPY-VYSIZUCDSA-N 372.468 4.789 0 1 FJAF ClC1=CC=CC=C[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962648768 YHTJQBZOTPYJKE-URXFXBBRSA-N 374.915 4.878 0 1 FJAF Cc1ccc(-c2nc(CN(CC3CCC3)C[C@H]3CCCO3)c(C)o2)s1 13595833 ROXHWHGLHMNLMA-QGZVFWFLSA-N 360.523 4.801 0 3 FJAF COc1cc2c(cc1OC)CN(Cc1cccc(-c3ccccc3)c1)CC2 29064166 OVNSGEVSIXKNMG-UHFFFAOYSA-N 359.469 4.929 0 1 FJAF Cc1cnc2ccccc2c1Nc1ccc(N2CCN(C)C(C)(C)C2)cc1 34801110 RXEIREHXCVZQFP-UHFFFAOYSA-N 360.505 4.817 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](c1ccc(Cl)cc1)[C@@H]2C(=O)Oc1ccccc1 36270925 AAEKULYONKUBOZ-LMCOJAPRSA-N 355.865 4.512 0 1 FJAF Cc1c(-c2ccncc2)cc2nc([C@H]3COc4ccccc4O3)[nH]c2c1C 49070394 ADDUZZHCDWVPIF-HXUWFJFHSA-N 357.413 4.754 0 1 FJAF COc1ccc(Nc2nc(NCc3ccco3)c3cc(F)ccc3n2)cc1 66074021 UKHCLYRBVJEFAN-UHFFFAOYSA-N 364.380 4.726 0 1 FJAF CC(C)(C(=O)Nc1nccs1)[C@@H](c1ccccc1)c1ccc(O)cc1F 72109960 LINXPBWLXPKDPX-KRWDZBQOSA-N 370.449 4.785 0 1 FJAF CSc1ccc([C@H](O)c2nnc(Nc3ccc(Cl)cc3)s2)cc1 82078383 OURDMRRKQIFLFQ-AWEZNQCLSA-N 363.895 4.739 0 1 FJAF O=C1Nc2ccccc2/C1=C(\c1nc2ccccc2[nH]1)c1ccc(F)cc1F 84738769 OLPOQVVGXISZPS-FMQUCBEESA-N 373.362 4.752 0 1 FJAF COc1ccc(-c2ccc3c(c2)c(C#N)cn3-c2ccc(C(=O)O)cc2)cc1 113277252 NRRFGVIEQFRBQL-UHFFFAOYSA-N 368.392 4.876 0 1 FJAF COc1ccc(-c2nc3ccccn3c2-c2nc3cc(C)ccc3[nH]2)cc1 473152174 SJEFIDLBTVAQNA-UHFFFAOYSA-N 354.413 4.862 0 1 FJAF COc1c(F)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587135293 YKMDUQJCDGXTQW-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF Oc1nc2cc3nc(Cc4ccc(-c5ccccc5)c(F)c4)[nH]c3cc2[nH]1 587145959 XDVNEQDSLUHFHA-UHFFFAOYSA-N 358.376 4.542 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422079 BYASOVZCUQTDRX-DYZYQPBXSA-N 353.176 4.630 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4cc(F)ccc41)[C@@H](C2)C3=O 587428641 PHFZLSNDMJJNNE-WMZHIEFXSA-N 358.368 4.506 0 1 FJAF Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587556332 JKKWFSBNBHGFGA-UTKZUKDTSA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ccccc12 587585483 DZLORQYUDOBUCN-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF C[C@]1([C@@H]2C[C@H]3CC[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600299 ALMVQCIJOIZAQT-IZKBAOSASA-N 350.414 4.549 0 1 FJAF CCn1ncc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)F)c1C 587629292 IVFOXIBBSCEWKQ-UHFFFAOYSA-N 355.747 4.600 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)(F)F)N1 587710005 PVIMWWFRHPAXPL-ISVAXAHUSA-N 354.185 4.680 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(F)c2)N1 587723533 AVQIAUMBLMJEKC-XYZCENFISA-N 370.212 4.664 0 1 FJAF CSc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587841820 BVHMGQXAOQMDGA-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccccc1-c1ccncc1)N(C)[C@@H](C)C2 962625837 JZODQMDWIBIHDM-UPCLLVRISA-N 374.484 4.732 0 1 FJAF O=C(O)CCC[C@@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962659861 ATLKGLOUZDCEMG-VWLOTQADSA-N 371.480 4.998 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)C[C@@]12c1ccc(F)cc1C[C@H]1CCCN12 963105259 MXRCOQQFTZJCJQ-KZHMMYNISA-N 373.512 4.677 0 1 FJAF Fc1cccc2c1[C@H](c1cc(CN3CCCCC3)cs1)N1CCC[C@@H]1C2 963111536 OVZKXGSUPCGIPR-GCJKJVERSA-N 370.537 4.983 0 1 FJAF CO[C@H](C)c1ccc([C@H]2c3cccc(Br)c3CCN2C)cc1 963270616 QBVGKAQETMOJTB-YJYMSZOUSA-N 360.295 4.734 0 1 FJAF S=C(NCC12CC3CC(CC(C3)C1)C2)NC12CC3CC(CC(C3)C1)C2 1857750567 SXSYCOAOYQAYJN-UHFFFAOYSA-N 358.595 4.636 0 1 FJAF COc1ccc([C@H]2OCc3ccccc3S2)cc1SC(=O)N(C)C 2356669915 SEGUOZKOMGRILO-KRWDZBQOSA-N 361.488 4.790 0 1 FJAF Cc1ccc([C@H](O)c2nc(-c3ccccc3C(F)(F)F)c[nH]2)cc1F 61902913 FPVCKQQGDHQZQD-INIZCTEOSA-N 350.315 4.625 0 3 FJAF COc1cccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 61907471 IAOCUERMDDMFSD-INIZCTEOSA-N 365.376 4.919 0 3 FJAF CC[C@@H](C)Sc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1 13556529 BSMBUEWDJYQNBV-SECBINFHSA-N 357.306 4.867 0 1 FJAF N=C(N)c1cc2cc(-c3cc(Cl)cc(Cl)c3O)[nH]c2cc1Cl 14954805 BWMVXULSVHMQIK-UHFFFAOYSA-N 354.624 4.785 0 1 FJAF Cc1ccc(NC(=O)c2ccccc2Cn2ccc3cnccc32)c(F)c1 28572476 PHGKFDGPRXONDI-UHFFFAOYSA-N 359.404 4.784 0 1 FJAF O=C(CCc1ccc(-c2ccc(F)cc2)cc1)Nc1ccccc1C(=O)O 34600460 ONJBINFWAWEQQG-UHFFFAOYSA-N 363.388 4.762 0 1 FJAF CC(C)Oc1ccc(Oc2ccc(CC[C@@H](C)NC(=O)C3CC3)cc2)cn1 66259367 ZKLUUIYEAKAKIE-MRXNPFEDSA-N 368.477 4.508 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1ccc(Br)cc1O 84742292 GYKIYTXJULHBQD-UHFFFAOYSA-N 372.671 4.604 0 1 FJAF Cc1ccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1C 95585350 RXRRTVLGWNBXDX-QHCPKHFHSA-N 373.496 4.830 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2ccnn2[C@H]1c1cccc(Cl)c1Cl 100859573 YKLHHAHOSWUXGN-WSTOHFRZSA-N 352.221 4.691 0 1 FJAF O=C(NC1CCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 148022187 JBVAQPPXSFEMJF-UHFFFAOYSA-N 374.444 4.685 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 586915088 AHDSWHWOXNOELK-LIRRHRJNSA-N 374.362 4.798 0 1 FJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2nccc(C)c2[nH]1 586981911 WTNCQKGSBXRJOT-UHFFFAOYSA-N 367.250 4.795 0 1 FJAF FC(F)(F)c1cccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587076496 MMMLHHGCHOMOJW-AWEZNQCLSA-N 365.742 4.852 0 1 FJAF O=C(/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167522 TYWTUSYTDGWDID-AATRIKPKSA-N 367.277 4.512 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3ccc(C(F)(F)F)cc3n1)O2 587382510 MKASGSNGCOTVSL-GOSISDBHSA-N 372.346 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(N3CCCC3)c1)CC2=O 587475968 RQKMIEASZMGLMV-NRFANRHFSA-N 351.446 4.651 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(CC3CCCCC3)n1)CC2=O 587477817 VGUBSFQCLDTRGF-OAQYLSRUSA-N 368.477 4.828 0 1 FJAF O=C1C[C@@](c2ccccc2)([C@H]2CCCCN2)Oc2c1ccc1c2CCCC1 587525526 NTDWHPQWQISBBB-ISKFKSNPSA-N 361.485 4.568 0 1 FJAF Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809332 ACVMWVIVPOMSOJ-BFUOFWGJSA-N 362.286 4.889 0 1 FJAF Cc1ccccc1C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587813748 PNLVZUWSPKMHET-YJYMSZOUSA-N 362.286 4.889 0 1 FJAF Cc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587817436 LBXUHGFRFCZRGX-BLVKFPJESA-N 360.270 4.621 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)oc1C 587830712 UJPUXLYFIMWMHN-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF CSC[C@@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587841897 CMJWIJOTKKQVHZ-MGPLVRAMSA-N 360.336 4.727 0 1 FJAF Cc1cc([C@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc(C)c1O 962715915 PRZPBZBNWWSJLD-HTAPYJJXSA-N 371.521 4.775 0 1 FJAF Fc1cccc2c1[C@]1(CCCC[C@@H]1N1CCCCCC1)N1CCC[C@@H]1C2 963113058 YZKNTCIOOVYOOJ-UNWVZKJWSA-N 356.529 4.860 0 1 FJAF Cc1nn(-c2ccccn2)c2cc(-c3ccc(CCCC(=O)O)cc3)ccc12 1772642635 CVCOQEOZBAXHMY-UHFFFAOYSA-N 371.440 4.803 0 1 FJAF CC(=O)OCC1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@H]1C3 2356511207 BPNHQUDTVYQGKS-WXEHXQQSSA-N 360.494 4.583 0 1 FJAF 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)C=CC(=O)O1 2356822468 FVVRWVBGHVCJSE-JLISXPQNSA-N 370.533 4.798 0 1 FJAF CC(=O)O[C@@H]1CC[C@]2(C)C(CCc3ccoc3)=C(C)C(=O)C[C@@H]2C1(C)C 1565857 WDMYWPSUQZKSFN-KCZVDYSFSA-N 358.478 4.876 0 1 FJAF biogenic Cc1cc(=O)n(Cc2ccc(Cl)cc2)c2c1c(C)nn2-c1ccccc1 8016521 RXEHSBAASILLDK-UHFFFAOYSA-N 363.848 4.506 0 1 FJAF C/C(=C\c1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1C(=O)O 13677452 REJKALRSHUBPIT-CSKARUKUSA-N 350.201 4.734 0 1 FJAF CC/C=C/[C@@H](CC)C/C(C)=C/[C@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC 33955050 AVSPCYKDNIUSRR-OJSOWQJOSA-N 352.515 4.628 0 1 FJAF CCCc1cc(N)c2cc(NC(=O)/C=C/c3ccc(CC)cc3)ccc2n1 36351839 NAISSBBPUWBPAO-JLHYYAGUSA-N 359.473 4.984 0 1 FJAF Nc1nc(Nc2ccc3[nH]ccc3c2)c2cc(CCc3ccccc3)[nH]c2n1 40973170 FIHNNYNOPNUKJK-UHFFFAOYSA-N 368.444 4.550 0 1 FJAF COc1ccccc1-n1nc(C)c2cnc(N[C@@H](C)c3ccccc3)cc21 40976772 PHLAPDHHLBMRBX-HNNXBMFYSA-N 358.445 4.911 0 1 FJAF C[C@H](c1ccccc1)c1nc2c(C(F)(F)F)cccc2c(C(=O)O)c1O 64460106 XHHONXOGMOGSEV-SNVBAGLBSA-N 361.319 4.809 0 1 FJAF CCN1[C@H](C/C=C2/[C@H]3CCCCC3=C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C 101012196 JBKSSZSHKBVHIR-ZAEGHLNZSA-N 357.538 4.874 0 1 FJAF CCOc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(F)c2)c1 103277255 KQEDVMAOFHJZAA-UHFFFAOYSA-N 352.365 4.728 0 1 FJAF COc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H](C2)[C@@]1(C)CCC(=O)CC(C)C 169321852 NAYVVJXSRXXBOE-YTFSRNRJSA-N 357.538 4.615 0 1 FJAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3cccc(F)c3)c2F)cn1 212179040 ZIXUZFHQRZCSBO-UHFFFAOYSA-N 367.399 4.851 0 1 FJAF OCc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299837494 OSMNYKIEKQKEHO-UHFFFAOYSA-N 371.396 4.561 0 1 FJAF O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994467 UDIDORMRNARJLW-UHFFFAOYSA-N 373.389 4.579 0 1 FJAF Cc1cc2[nH]c(-c3cccc(-n4nc(C)c(Cl)c4C)c3)nc2c(C)n1 587065411 PYNYAFOTFMJOLK-UHFFFAOYSA-N 351.841 4.698 0 1 FJAF Clc1cccc(COc2ccc(/C=C/c3nc4cnncc4[nH]3)cc2)c1 587069725 GUSFEVWFJCIVMT-RMKNXTFCSA-N 362.820 4.756 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(Cc3c(F)cncc3Cl)[nH]c2c1 587175812 IFMONEPLCCTVJC-UHFFFAOYSA-N 365.795 4.572 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cccc(C)c3nc1Cl)O2 587380279 SKYXPVVNNXSDGW-KRWDZBQOSA-N 352.821 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCc4c1ccc(Cl)c4Cl)[C@@H](C2)C3=O 587421421 MGCZMBUVQIBELZ-DJJJIMSYSA-N 361.224 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O 587444390 STMPIHWAPFRSQQ-GBXCKJPGSA-N 372.420 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccn1)(C(C)(C)C)CC2=O 587492958 YXQGVGQBGTVQOA-JOCHJYFZSA-N 353.462 4.733 0 1 FJAF Cn1c(O)cc2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514491 FYLBFUZECSDTJO-QHCPKHFHSA-N 361.441 4.643 0 1 FJAF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603468 OUCKLGCIVBYMRR-NZQKXSOJSA-N 360.409 4.664 0 1 FJAF CC1=COc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608319 KAGUZPWAEYAXOO-NZQKXSOJSA-N 372.376 4.546 0 1 FJAF COc1cc(-c2[nH]c3ccc(F)c(Cl)c3c2CC(=O)O)ccc1Cl 587628007 FGJMBGWXUPIMJD-UHFFFAOYSA-N 368.191 4.917 0 1 FJAF CC[C@H](C)c1ccc(NC(=O)c2c(C)[nH]c3c(C(=O)O)cccc23)cc1 587638071 KGIROEUGOHXLNY-LBPRGKRZSA-N 350.418 4.940 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cc[nH]c23)N1 587802305 KXDLFQWGNWNAQL-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF COc1ccc2c(c1)[C@H](c1ccn(Cc3ccccc3)c1)N(C(C)C)CC2 962089457 JMIMHIMIQUDLCV-DEOSSOPVSA-N 360.501 4.901 0 1 FJAF Cc1cccc(-c2cc(C(=O)Oc3ccccc3Br)no2)c1 1857552048 UBBDVKRNJFYRAX-UHFFFAOYSA-N 358.191 4.632 0 1 FJAF CC(C)=CCCC(C)=CC=C[C@]1(C)C[C@@H](O)CC(C)=C1[C@H](O)CC(=O)O 2356845645 OGXRBXPEGCXCCR-NNMXDRDESA-N 362.510 4.548 0 1 FJAF COc1cc(OC)c2c(-c3cccc(-c4ccc(O)cc4)c3)cc(=O)oc2c1 13814052 QHLYMUAXGZDGPA-UHFFFAOYSA-N 374.392 4.850 0 3 FJAF aggregator N[C@@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)C1CCCCC1 61908205 GGBWRHFKVKLPNQ-CQSZACIVSA-N 356.417 4.881 0 3 FJAF CO[C@@H](C)CCCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460247 BQXYXRGHAYTBOA-YJBOKZPZSA-N 364.482 4.725 0 1 FJAF biogenic C[C@@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1c(F)cccc1F 13474580 CYLJSOXMKZQFQS-NSHDSACASA-N 350.434 4.625 0 1 FJAF O=C(c1ccc(Cl)c(Cl)c1)N1CCCC(c2ccc(F)cc2)=N1 13744695 MFLFGBFDXCPCBG-UHFFFAOYSA-N 351.208 4.773 0 1 FJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cnccn1 26393584 QVTBBCPMVZFZTF-PEOWNTLRSA-N 350.506 4.794 0 1 FJAF NC(=O)c1ccc(-c2nnc(Nc3ccc(Cl)cc3)c3ccccc23)cc1 28525406 MQUPBMLJFDWPQB-UHFFFAOYSA-N 374.831 4.793 0 1 FJAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccccc2F)n1 38279631 CKJNHCSDTASNJS-UHFFFAOYSA-N 371.795 4.742 0 1 FJAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@H]1c1ccccc1 45259585 DEKIIMZJSLIXGB-HNNXBMFYSA-N 370.865 4.669 0 1 FJAF CC[C@H](C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1 45261853 WDWUDQLDYWBWLS-WWNPGLIZSA-N 365.650 4.623 0 1 FJAF Oc1cccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)OC2)c1 71316099 BEKVGRWNHHPELI-UPVQGACJSA-N 373.496 4.862 0 1 FJAF Nc1c(O)nc2cc(C(F)(F)F)ccc2c1-c1cc(Cl)ccc1O 100804500 FIKKMEWLLLPZIV-UHFFFAOYSA-N 354.715 4.567 0 1 FJAF CCCCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@H]2C1 196481625 OKPRNKRSEPOPFL-FPRUBCACSA-N 359.517 4.845 0 1 FJAF Cc1ncc2c(n1)CCc1c-2nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096965 MQUKQJWJLYOPHJ-UHFFFAOYSA-N 363.420 4.619 0 1 FJAF Cc1cc(F)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168468 XENUYFFQFSXQAZ-MRXNPFEDSA-N 356.376 4.519 0 1 FJAF O=c1c(-c2nc3ccc(Cl)cc3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170945 HBIZVXKIZWUWSM-UHFFFAOYSA-N 371.774 4.811 0 1 FJAF Cc1c(Br)cc2[nH]c(-c3n[nH]c4c(F)cccc34)nc2c1C 587176544 PTFZROXRPMKOBQ-UHFFFAOYSA-N 359.202 4.625 0 1 FJAF CCc1c(-c2cn(CC(=O)O)c3ccccc23)nc2cccc3c2c1CC3 587211177 MYHYDOIFBWWWRJ-UHFFFAOYSA-N 356.425 4.602 0 1 FJAF N[C@@H](Cc1nc2cccc(OC(F)(F)F)c2[nH]1)c1cccc2ccccc12 587259639 YJLVAKZMYZKTAF-HNNXBMFYSA-N 371.362 4.857 0 1 FJAF C[C@@]1(Cc2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374756 LFIDVZSTXAVPSF-FPOVZHCZSA-N 368.429 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccccc1F)O2 587386280 VEJKQYANOAJMBF-QHCPKHFHSA-N 361.416 4.820 0 1 FJAF Cc1cccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)c1 587411550 DFFGALKPSQORLL-GOSISDBHSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(CN3CCCC3)c1)CC2=O 587477243 WVGRCGZWIVTXGC-JOCHJYFZSA-N 365.473 4.647 0 1 FJAF O=C1C[C@]2(CCC[C@@H](c3ncccc3O)C2)Oc2c1ccc1c2CCCC1 587518359 GNIUNXFPZAXKHU-WAIKUNEKSA-N 363.457 4.728 0 1 FJAF C[C@@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600336 ANXZMZPEGNPQRM-URXFXBBRSA-N 372.420 4.758 0 1 FJAF CC1=C(C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601696 FSANCPPKQQCIBY-YIFZBPKDSA-N 350.414 4.859 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(Cc1ccccc1)C2 587604089 QUKMTLDUKZKEMS-SSSUMRQXSA-N 372.420 4.745 0 1 FJAF CCC1(CC)[C@H](OC)C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587813677 WLNOQGDMFXUCNB-UCMVZMLTSA-N 370.306 4.543 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CC2)N1 587815450 NARVBDREJYKCJP-CWTRNNRKSA-N 360.270 4.776 0 1 FJAF CC(C)CSC[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587841877 CJZCSLQHWSFJGU-BDJLRTHQSA-N 360.336 4.727 0 1 FJAF COc1cc(N)c(-c2nc(-c3ccc(SC)cc3)cs2)cc1OC 587924605 FIBMUZOIJVMCFC-UHFFFAOYSA-N 358.488 4.798 0 1 FJAF Cc1c(F)ccc2c1[C@]1(NCC2)c2ccccc2-c2[nH]nc(C(C)(C)C)c21 962092065 MCBMPTHGSPQVQG-HSZRJFAPSA-N 361.464 4.573 0 1 FJAF CCN(Cc1ccccc1F)C(=O)Cn1c2ccccc2c2ccccc21 1857565737 HDQAEEBRPKEDNV-UHFFFAOYSA-N 360.432 4.982 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H]5ON=C(C)[C@H]5[C@@]4(C)CC[C@@H]32)C1 1857623494 XHKXOQIVQHCQQV-PVRUNILOSA-N 371.521 4.882 0 1 FJAF COc1ccccc1-c1noc2nc(OCc3ccc(F)cc3)ccc12 206054855 NUCRYVNUCIZOPM-UHFFFAOYSA-N 350.349 4.617 0 3 FJAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775293 MLEFMRWRELWTDU-CQSZACIVSA-N 352.409 4.922 0 1 FJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@@H](C)C(C)C 775931 ZCCIFSXQBRULEJ-AWEZNQCLSA-N 358.482 4.812 0 1 FJAF COc1ccccc1-c1ccc(NC(=O)C2=C(C(=O)O)CCC2)c(Cl)c1 13534097 ZWGCPICZWQOBLO-UHFFFAOYSA-N 371.820 4.519 0 1 FJAF CC(C)n1c2ccccc2c2c(F)c(NC(=O)N3CCOCC3)c(F)cc21 27101865 RTALAECPNZHYMK-UHFFFAOYSA-N 373.403 4.518 0 1 FJAF Clc1cccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)c1 29205279 NEYKSMPOAIRBOR-UHFFFAOYSA-N 367.884 4.535 0 1 FJAF O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1cccc2ccccc12 72172343 UGEFRBYPVXCPCK-NRFANRHFSA-N 352.389 4.954 0 1 FJAF FC(F)(F)c1ccccc1-c1cc(NCc2ccc3c(c2)OCO3)ncn1 82160788 AVKSBKNTQFGXCR-UHFFFAOYSA-N 373.334 4.503 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 82180461 METDOUZUEIGILM-HNNXBMFYSA-N 351.498 4.916 0 1 FJAF Cc1ccccc1N1C(=O)CS[C@@H]1c1cc2ccccc2nc1Cl 103194964 AOAOKANGNPKZHS-LJQANCHMSA-N 354.862 4.975 0 1 FJAF O[C@@]1(c2ccc(-c3ccc4ccccc4c3)cc2)CN2CCCC[C@H]2CO1 253947077 LKDZAVLPTGMMGZ-ZEQRLZLVSA-N 359.469 4.537 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)cc1 586881460 WTQVZEJILLFFLM-UHFFFAOYSA-N 374.371 4.937 0 1 FJAF c1ccc(COc2cccc3nc([C@@H]4COc5ccccc5O4)[nH]c23)cc1 586917549 GAXVQSFULFHWLA-FQEVSTJZSA-N 358.397 4.654 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c([C@@H](C)SCc3ccccc3)nc2c1 586962713 GVZSYDOFAYKISS-LLVKDONJSA-N 360.866 4.997 0 1 FJAF CC(C)n1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)n1 586987266 MHMGAFCSKXQONC-UHFFFAOYSA-N 369.424 4.520 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2c(Cl)ncnc2[nH]1 587014732 PGWGGMFMRUKQJZ-UHFFFAOYSA-N 362.245 4.759 0 1 FJAF COC1(C[C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCC1 587347585 FIYMXAQRPGJWQV-CTNGQTDRSA-N 370.420 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(F)c(C)c3[nH]1)CC2=O 587465901 IHSLGMCOKCVPEE-LJQANCHMSA-N 353.393 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](C1(CN(CC)CC)CCCC1)CC2=O 587470586 UEMADEMSBNPZRN-HXUWFJFHSA-N 359.510 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3cc(C)ccc13)CC2=O 587480611 DMNUGJZVJDGNHG-SFHVURJKSA-N 351.402 4.547 0 1 FJAF Cc1cc(F)cc2c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 587509514 SMBWJADCKQUQQO-GOSISDBHSA-N 350.393 4.596 0 1 FJAF COc1c(F)cc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509828 XAGKGYJVKHVMKJ-HNNXBMFYSA-N 372.411 4.819 0 1 FJAF Cc1c(F)cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587555573 GZBWWKPNRLXTFK-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2c1 587586293 KDGALXQMIKVCKL-NFBKMPQASA-N 369.376 4.643 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)cc2)N1 587698307 NUOLLLBODHVYGZ-FVMDXXJSSA-N 354.650 4.865 0 1 FJAF COc1cccc(C)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810061 WFCSTDUXLQISNY-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF CCCc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831809 YIPNQYRLKAZWPP-QGHHPUGFSA-N 352.247 4.757 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CC3)s2)N1 587856171 WJPXVWNITIGQOR-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(Br)ccnc2[nH]1 587949832 DCSVVIGMNLTDEN-LOWVWBTDSA-N 352.276 4.767 0 1 FJAF CC[C@]1(Cc2nc3c(F)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587962280 WTIPPRHCFGUHOD-LJQANCHMSA-N 357.816 4.518 0 1 FJAF Cc1cc(F)c([C@@]2(C)NCCc3ccc(F)c(C)c32)cc1Br 962094599 TYQIRUFKNRGHRX-GOSISDBHSA-N 366.249 4.753 0 1 FJAF Cc1ccc(C)c([C@@]2(CC(C)(C)C(=O)O)NCCc3cc(C)c(F)cc32)c1 962297633 KHUAJEJPWFCSNU-HSZRJFAPSA-N 369.480 4.641 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1cnn(-c2ccc(F)cc2F)c1 963237713 ZBSZLTUJJCIWJX-OYHNWAKOSA-N 367.443 4.897 0 1 FJAF CO[C@@H](C)c1ccc([C@@H]2c3cccc(Br)c3CCN2C)cc1 963270614 QBVGKAQETMOJTB-ORAYPTAESA-N 360.295 4.734 0 1 FJAF C[C@]1(c2ccc(F)cc2Br)NCCc2cc(Cl)ccc21 963390873 NXVSGSIABNWMTP-INIZCTEOSA-N 354.650 4.651 0 1 FJAF O=c1c(-c2ccncc2)c(-c2ccc(F)cc2)[nH]n1-c1ccc(Cl)cc1 3832165 PRQWAZOCOMJRCV-UHFFFAOYSA-N 365.795 4.687 0 1 FJAF Cc1c(C)c(CO)c(C)c([C@H](CCCCCC(=O)O)c2ccccc2)c1O 13456377 BXFQMQOFVZFIEO-LJQANCHMSA-N 370.489 4.977 0 1 FJAF Cc1ccc(NC(=O)Cc2nc(-c3cc(F)ccc3F)cs2)c(C)c1 25666667 UFXQKULVPUMWMZ-UHFFFAOYSA-N 358.413 4.886 0 1 FJAF CC(=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 27419774 SUEPTDAMYWMEOU-NGVSTBRYSA-N 356.506 4.801 0 1 FJAF COc1cc(OC)c2ccn(CCC[C@H]3CCC[C@@]4(CCCCO4)O3)c2c1 40953361 OKTDCOOPWZVWAN-VGOFRKELSA-N 373.493 4.905 0 1 FJAF CC(C)N1C(=O)c2ccccc2C[C@@]1(CCN(C)C)c1ccc(Cl)cc1 53242722 HHAVLXMLYHADSP-QFIPXVFZSA-N 370.924 4.594 0 1 FJAF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCC3)cc2Cl)S1 96282307 RAWVDFCEIKLHJZ-DHDCSXOGSA-N 351.855 4.623 0 1 FJAF c1cc([C@H]2CC[C@H](N3CCC3)CC2)ccc1OCCCN1CCCCC1 101437349 BUPDKQVYUKWVSM-GRGXKFILSA-N 356.554 4.673 0 1 FJAF CCOc1ccc(C[C@@H]2CC(c3cccc4ccccc34)=NO2)cc1OC 103213659 MYNBJEWZSMZCSK-GOSISDBHSA-N 361.441 4.983 0 1 FJAF COc1ccc(C)cc1-c1cnc(OCCCCc2ccccc2)n1C 103244463 QEHBKBVTBLVVFM-UHFFFAOYSA-N 350.462 4.806 0 1 FJAF Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1C 140113401 VWIIAPJXHVHVMV-UHFFFAOYSA-N 366.468 4.912 0 1 FJAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C 152971047 ZROQUMPZTDXHBC-NLGFINLOSA-N 374.613 4.710 0 1 FJAF CC(C)c1cc([C@@H]2CCCN2C(=O)NCC23CC4CC(CC(C4)C2)C3)no1 473154627 JLTLUJLPOUMEAM-QPRVAFDKSA-N 371.525 4.861 0 1 FJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@H]3C=C12 504699658 FYEXWWJAZZNSHA-WXNGJSTRSA-N 351.490 4.572 0 1 FJAF biogenic COc1ccc2c(c1)Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992048 MRXYKDSIDALMKX-UHFFFAOYSA-N 365.388 4.732 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4c(C)cccc4C)c1)[C@@H](C2)C3=O 587431272 NKGLUSWTXNJZHA-MBSDFSHPSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(CC)sc31)CC2=O 587496716 SVNYCNQGXWIUNI-FQEVSTJZSA-N 357.475 4.561 0 1 FJAF COCc1c(-c2ccc(F)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587623130 ZEFOMZIGNFBDFF-UHFFFAOYSA-N 374.213 4.759 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2ccc(F)c(Cl)c12 587628859 AWFWLRUXBONZQA-UHFFFAOYSA-N 363.747 4.512 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ccccc3F)c(C(=O)C(=O)OC)c2c1 587642754 PZCDZFCYLLRDCH-GFCCVEGCSA-N 353.393 4.843 0 1 FJAF COc1cc(OC)c2[nH]c([C@@H](Cc3ccccc3)c3ccccc3)nc2c1 587954922 DILLEDNOMJBZOG-IBGZPJMESA-N 358.441 4.955 0 1 FJAF Cc1occc(=O)c1Oc1nc(C(Cl)(Cl)Cl)nc2ccccc12 653866814 XMXIRFQIGHODEQ-UHFFFAOYSA-N 371.607 4.510 0 1 FJAF CN(C)CC[C@]1(Cc2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962660164 HIDSQGMZHMNGJI-AREMUKBSSA-N 370.540 4.889 0 1 FJAF C[C@]1(c2ccc3nc(N)sc3c2)NCCc2cc(-c3ccccc3)ccc21 962671155 WOJQNLAWQRAUJP-HSZRJFAPSA-N 371.509 4.955 0 1 FJAF Fc1cccc2c1[C@H](c1ccn(CC3CCCCC3)n1)N1CCC[C@H]1C2 963099496 AHYGLQOGRRZNTG-AVRDEDQJSA-N 353.485 4.712 0 1 FJAF C=C(c1ccc(OC(F)(F)F)cc1)c1c(OC)cc(OC)cc1OC 1857750398 QYDMCLXFVAVHDA-UHFFFAOYSA-N 354.324 4.673 0 1 FJAF CC(C)=CCc1ccc([C@@H]2C(=O)OC(=Cc3ccc(O)cc3)[C@H]2C)cc1O 2356394883 INWBNVWKWLOEKI-IVZQSRNASA-N 364.441 4.924 0 1 FJAF COc1cc([C@@H](O)c2nc(-c3cnc4ccccc4c3)cs2)ccc1F 205215297 OMWHYQCLVWSCLA-LJQANCHMSA-N 366.417 4.588 0 3 FJAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)c1 776223 KICZHKRELNVKTH-CQSZACIVSA-N 358.482 4.812 0 1 FJAF CC1=Nc2ncnn2[C@H](c2cccc(Cl)c2)/C1=C(\O)OC1CCCCC1 4597993 IKDARAMOBHBUQC-GROYHEBESA-N 372.856 4.746 0 1 FJAF CC(C)c1ccc(NC(=O)c2nn(C)c3c2CCc2sccc2-3)cc1 9687538 ZPDQIIGATUUYQW-UHFFFAOYSA-N 351.475 4.623 0 1 FJAF CCCc1c(OC2CCCC2)c2cc(Br)ccc2[nH]c1=O 11328263 AVLRXDLVYUIDPW-UHFFFAOYSA-N 350.256 4.565 0 1 FJAF CNCCC[C@@]1(C(C)C)Cc2ccccc2N(c2ccc(C)cc2)C1=O 28528866 PHZZSZDDGUPIKS-QHCPKHFHSA-N 350.506 4.858 0 1 FJAF Cc1cc(=S)c(O)c(C(=O)NCc2ccc(-c3ccccc3)cc2)o1 40896271 ZOMMNLRHGAAUNM-UHFFFAOYSA-N 351.427 4.620 0 1 FJAF in-vivo Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(C)n1C1CCCCC1 43131869 HIGMKCMBOFFCOW-UHFFFAOYSA-N 355.526 4.704 0 1 FJAF Cc1cc(Cl)nc(NCCCNc2ccnc3cc(Cl)ccc23)n1 84742136 UUTBSOVCRUSCJG-UHFFFAOYSA-N 362.264 4.554 0 1 FJAF Cn1ccc2cc(-c3ccc4oc(N5CCn6cccc6C5)nc4c3)ccc21 149173190 MCBHKKITYUPMCN-UHFFFAOYSA-N 368.440 4.808 0 1 FJAF COC(=O)c1cc2[nH]c(-c3cccc(-c4ccsc4)c3)nc2cc1OC 587027646 YPNFSHDMXMCGCU-UHFFFAOYSA-N 364.426 4.754 0 1 FJAF Cc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1C 587172792 MNBMGBFUWWGNHC-UHFFFAOYSA-N 365.383 4.775 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)O2 587175539 ZJSRSKZLSFCEHH-CQSZACIVSA-N 372.705 4.930 0 1 FJAF Cc1ccc(NC2(c3nc4c(Br)ccnc4[nH]3)CCCC2)cc1 587237590 VDSGPKGVUOFUBN-UHFFFAOYSA-N 371.282 4.910 0 1 FJAF CCCn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 587514549 GVKBKZZDRCJJEV-HXUWFJFHSA-N 350.462 4.756 0 1 FJAF CC(C)Oc1ncccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587518121 BBULSPWQYDDPRE-QFIPXVFZSA-N 351.446 4.628 0 1 FJAF Cn1ccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587579150 SSAOHKFOAAERCR-NZQKXSOJSA-N 371.392 4.587 0 1 FJAF C[C@H](c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587598032 AGCAHZZSYXTHEY-OFSQETHSSA-N 360.409 4.916 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]1c1ccccc1 587602840 LJRJJXDXGJCKCF-XLJIZYSNSA-N 358.393 4.526 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccccc2O)N1 587832936 LHHVRXUZQNDDDU-MANSABKXSA-N 362.242 4.583 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc([C@@H](N)N=O)ccc3[nH]2)cc1 587932615 QUORFSAKRUVSPM-FQEVSTJZSA-N 358.401 4.629 0 1 FJAF Brc1cnc2[nH]c(Cc3ccccc3-c3ccccc3)nc2c1 587959200 LYGXBPRYLKIGHL-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Fc1cccc2c1NCC[C@]21c2ccsc2CCN1Cc1ccco1 962714087 YHGMUIXCODTRKM-FQEVSTJZSA-N 354.450 4.598 0 1 FJAF CCC[C@@H](OC)[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831725 HSTMDMKYHAQQMC-FYYLOGMGSA-N 364.489 4.749 0 1 FJAF CC(C)(F)c1ccc(-c2nnc(SCCCC(=O)O)o2)c(Cl)c1 1857551775 CYYLCWKWZHKSKM-UHFFFAOYSA-N 358.822 4.552 0 1 FJAF C[C@H](CCOC=O)CC[C@@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]12C 2356487666 HVOITCZCMRGWKQ-DKXUYOFUSA-N 350.499 4.829 0 1 FJAF Cc1c(CN2CCc3c([nH]c4ccccc34)[C@H]2C2CCCCC2)cnn1C 13594344 IUXHWXRWZOTHRS-HSZRJFAPSA-N 362.521 4.890 0 3 FJAF COc1ccc(F)cc1Oc1ccc2c(-c3ccccc3OC)noc2n1 205223404 RWZWKBRGMLPYHI-UHFFFAOYSA-N 366.348 4.838 0 3 FJAF Oc1cccc(-c2nc3ncccn3c2Nc2cccc(C(F)(F)F)c2)c1 4763358 NRROTYAZAFNRTI-UHFFFAOYSA-N 370.334 4.864 0 1 FJAF O=C(NC1CCCC1)c1ccc2c(c1)sc1nc(-c3ccccc3)cn12 6748747 FDELTYAEUODVMX-UHFFFAOYSA-N 361.470 4.888 0 1 FJAF Cc1cccc(Cn2c(C)c(CNC3CCCCC3)c(C(=O)O)c2C)c1 8611009 VNCKZBZDLHOATQ-UHFFFAOYSA-N 354.494 4.582 0 1 FJAF CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@](C)(CO2)[C@@H]1C/C=C/CCCC(=O)O 26009965 VEKDZUVNPMZDCF-DGIUFPRSSA-N 364.526 4.726 0 1 FJAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)C[C@H](C)CC3 28949261 NYJXOLVPUSEQPG-LLVKDONJSA-N 370.543 4.911 0 1 FJAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc(F)cc2)cc1)n1ccnc1 95561125 JCSZGGFDFBJQKT-LJQANCHMSA-N 367.424 4.554 0 1 FJAF Cc1c(N(CC(F)F)S(=O)(=O)c2ccccc2)sc2ccccc12 115232014 CGCGDXSPFOOWKP-UHFFFAOYSA-N 367.442 4.670 0 1 FJAF CCCCc1c(-c2ccc(OC)cc2)nc(N)nc1-c1ccc(OC)cc1 203854342 HTFZRKZTJYBYJU-UHFFFAOYSA-N 363.461 4.753 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@@H](C)N(C)C[C@H]1C 253690084 QQNNOLZJZYPLTA-CHWSQXEVSA-N 372.513 4.609 0 1 FJAF Cc1cc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2CC(F)(F)F)ccc1F 299827160 OZNVAQFXGNOYPW-BXKDBHETSA-N 370.350 4.660 0 1 FJAF Oc1ccc(C2(c3nc4cc(Cl)c(Cl)cc4[nH]3)CCOCC2)cc1 586913665 SIXYWAAMMHTCFE-UHFFFAOYSA-N 363.244 4.672 0 1 FJAF CC(C)(SCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)O 586958769 GBNUAEOZQGUQLI-UHFFFAOYSA-N 358.488 4.811 0 1 FJAF c1ccc2c(c1)ncc1nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587016710 AUGWLMWDPSEBLR-UHFFFAOYSA-N 370.437 4.837 0 1 FJAF O=C(O)c1cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587049006 KHPRFKIRABFCTQ-HTQZYQBOSA-N 365.191 4.978 0 1 FJAF Clc1cccc(/C=C/c2nc3nc(Br)c[nH]c-3n2)c1Cl 587055657 WCXOMHCTQKIBAC-SNAWJCMRSA-N 370.037 4.544 0 1 FJAF CC(C)[C@@H](c1nc2cc(C(F)(F)F)c(Br)cc2[nH]1)N(C)C 587198217 BYMQDXDWZFNWFJ-LBPRGKRZSA-N 364.209 4.603 0 1 FJAF CCc1ccccc1NC(=O)c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587241627 ZNIRAGYDAJOAAH-UHFFFAOYSA-N 351.303 4.536 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=COc3c(Cl)cc(Cl)cc31)O2 587380498 VMUCFEVMZNJDDN-GOSISDBHSA-N 362.212 4.651 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(SCC(F)F)cc1)O2 587380785 ALJNEYBYZVZDGD-LJQANCHMSA-N 363.429 4.815 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccc(O)c1)CC2=O 587488485 JTWCNPAAQKUNKS-XMMPIXPASA-N 374.436 4.959 0 1 FJAF COc1ccc2c(c1)c([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587514576 HDCMXZLJNJXWKM-QFIPXVFZSA-N 361.441 4.772 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587631957 NPBIWXZPDOCQMA-OAHLLOKOSA-N 368.836 4.577 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721925 WWIJUNBFARNWLV-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF CC[C@]1(c2ccc(C)o2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831750 YDYROUXJCHUDPY-BTDLBPIBSA-N 352.247 4.677 0 1 FJAF Cc1ccc2nc(C)cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)c2c1 587874061 SXLDCORDPCDBMR-UHFFFAOYSA-N 359.360 4.648 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2cccc(Br)c2[nH]1 587931115 QTHORYJRHWGEPK-KPZWWZAWSA-N 357.251 4.779 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@]3(c2ccccc2)c2ncc[nH]2)cc1 962659235 FFYFXFRMSYJJIY-DEOSSOPVSA-N 351.453 4.514 0 1 FJAF C[C@H](C[C@@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)CC(C)(C)C 962671764 SRFLTNQAAHPGLC-ZOUOIUENSA-N 368.521 4.837 0 1 FJAF COc1cc2c(cc1C(C)=O)CC[C@H]1C(C)(C)c3oc(C)nc3C[C@]21C 1772627854 NHVMLGXLRVLOEQ-SIKLNZKXSA-N 353.462 4.548 0 1 FJAF COC(=O)C1=C2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC[C@H]1C 2356687695 YFTPYZDSHBLAJW-RCMYNHNDSA-N 362.510 4.670 0 1 FJAF O=C(C=Cc1ccccc1)NC1=N[C@H]2CCCCCCCCCC[C@@H]2O1 2356713985 XZORUNHMSUAKIS-PMACEKPBSA-N 354.494 4.854 0 1 FJAF CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C(N)=O)cc2C)c1C 14974991 ZPSJLQMQKUVCKZ-UHFFFAOYSA-N 356.466 4.774 0 1 FJAF COC1(c2cc(F)cc(OCCc3c[nH]c4ccccc34)c2)CCOCC1 28704795 LYNLBUMGSPPBMU-UHFFFAOYSA-N 369.436 4.581 0 1 FJAF Cc1cc(C)c2c(=O)n(CCCCN3CC4CCC(CC4)C3)sc2c1 29399660 QQRUCWXMDRMQKW-UHFFFAOYSA-N 358.551 4.582 0 1 FJAF Fc1ccc([C@@H]2NC(N3CCCCC3)=NC3=C2CCc2ccccc23)cc1 45291003 NPAIUWCXVKERBJ-NRFANRHFSA-N 361.464 4.669 0 1 FJAF Cc1cc(C)cc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 58603196 RKHYKZKCEDYPQI-LJQANCHMSA-N 366.461 4.608 0 1 FJAF COc1ccc(-c2cccc(C(=O)N(C)Cc3cccc(OC)c3)c2)cc1 73170194 JXAYDESAZDATGQ-UHFFFAOYSA-N 361.441 4.643 0 1 FJAF N=C1Sc2cc(Br)ccc2C2=NCC3(CCCCC3)CN12 95576149 FUCXPKNYZXPPGQ-UHFFFAOYSA-N 364.312 4.502 0 1 FJAF COc1cccc2c1CC[C@H]1[C@@H]2CCCN1C(=O)c1cn(C)c2ccccc12 96169289 UHIDIMBWIAJJQY-VGSWGCGISA-N 374.484 4.522 0 1 FJAF COc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1Cl 118807166 RYZTUZZZFBTDMQ-UHFFFAOYSA-N 370.865 4.529 0 1 FJAF O[C@@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334821 YRDGFJXTCBQLJX-JTSKRJEESA-N 368.427 4.746 0 1 FJAF CN1c2ccccc2C(=O)NN(c2ccccc2)[C@H]1c1ccc(Cl)cc1 299849049 XNBNVQKCXSFFRM-NRFANRHFSA-N 363.848 4.640 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 586881628 YNMULWUVCHWOAW-UHFFFAOYSA-N 352.397 4.976 0 1 FJAF CN(C)c1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988944 TUYBFCJYBPFSOT-UHFFFAOYSA-N 366.420 4.885 0 1 FJAF Clc1ncc(Br)c2nc(CSCc3ccsc3)[nH]c12 587027143 PTXQVBXUEPUIFG-UHFFFAOYSA-N 374.716 4.869 0 1 FJAF CCc1c(C2CCNCC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587095806 AWVIEOXHDZOFPI-UHFFFAOYSA-N 356.469 4.784 0 1 FJAF Cc1nccc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587149381 GPHWYVRUPRFCMB-LJQANCHMSA-N 351.356 4.713 0 1 FJAF CCOc1cc(C(=O)c2coc3ccccc23)cc(OCC)c1OCC 587280526 IXWXTBZPEDTDHO-UHFFFAOYSA-N 354.402 4.860 0 1 FJAF C[C@]1(C(F)(F)C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331916 RCZDUNZCBMSVMF-YOEHRIQHSA-N 372.289 4.549 0 1 FJAF C/C(=C/[C@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536612 XLRWGOJAJSPKQW-OOZJCBPQSA-N 367.514 4.953 0 1 FJAF C[C@H](C(=O)O)c1c(-c2cccc(Br)c2)[nH]c2cccc(F)c12 587632571 KFCFCGFHYMZMKX-VIFPVBQESA-N 362.198 4.925 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(Cl)s1 587661203 LLTYMTFQFZTUCZ-UHFFFAOYSA-N 370.836 4.966 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587722661 ZMTHPIWWQAFEHH-XYZCENFISA-N 370.212 4.798 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccncc23)N1 587779206 QWEXOWFOKLKZAV-NSPYISDASA-N 371.253 4.760 0 1 FJAF CC1=C[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C[C@@H]1C2(C)C 587817517 LJTACMYHVWQEPV-LHNPVRLTSA-N 364.302 4.940 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)c(F)c1 587867623 BBVFTMFRRMEJOM-UHFFFAOYSA-N 371.721 4.754 0 1 FJAF COC(=O)c1ccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c2c1 587934272 IHCOPAHYDSOPGF-CYBMUJFWSA-N 360.413 4.663 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3ccc(C(C)=O)cc3[nH]2)cc1 587938024 RVWZTTRKIVGJRO-QFIPXVFZSA-N 356.425 4.954 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1cnn(-c2ccccc2Cl)c1 963089406 HCQDJRHHQHKDSS-UWJYYQICSA-N 367.855 4.775 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963113258 QJBXGNCTBUMTTD-HZPDHXFCSA-N 371.308 4.580 0 1 FJAF O=C1OC[C@H](Cc2ccc(F)c(F)c2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772647412 HGLPTFVHGKMJRD-QWHCGFSZSA-N 371.210 4.846 0 1 FJAF CC1=CCOC(=O)CC(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC1)C(C)=CC[C@H]3C2(C)C 2356442658 LLMHUMBEEZSSMH-KGYLXKDPSA-N 374.521 4.980 0 1 FJAF O=C(Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1)c1ccccc1 13674580 YPDLBVCPCFRNSB-UTKZUKDTSA-N 362.473 4.734 0 1 FJAF CCCCNc1nn2c([C@H](C)c3ccc(CC(C)C)cc3)nnc2s1 40943180 NIBMUDHJMDIKSC-CQSZACIVSA-N 357.527 4.748 0 1 FJAF C[C@H](C1=C(CCN(C)Cc2ccccn2)Cc2ccccc21)c1cnccn1 66076829 IJFPVAYNHAMKAK-SFHVURJKSA-N 370.500 4.507 0 1 FJAF COc1cc(-c2cccc(Cl)c2)ncc1[C@H]1CCCN1C(=O)C1CCC1 72175157 QGGMLWQJUHYNLK-LJQANCHMSA-N 370.880 4.874 0 1 FJAF O=C(CCC(F)(F)F)N1CCC(c2nc(-c3cccs3)cs2)CC1 82150829 WPYOVYFGYUBPPN-UHFFFAOYSA-N 374.453 4.920 0 1 FJAF COc1cc(N[C@H](C)CCCN)c2nccc(C)c2c1Oc1ccccc1 96880864 GAHXOAGMKXAKSA-MRXNPFEDSA-N 365.477 4.883 0 1 FJAF Cn1nc(C(C)(C)C)cc1-c1nc2cc(-c3ccccc3Cl)ncc2[nH]1 140788471 PJQHOTBFTZFHGJ-UHFFFAOYSA-N 365.868 4.976 0 1 FJAF O[C@@H](C[C@H]1CCCCN1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334824 YRDGFJXTCBQLJX-VGSWGCGISA-N 368.427 4.746 0 1 FJAF CSC1=N[C@H]2C(=C(O)OCCCCCSc3ccccc32)C(C)=N1 253689786 PIRYLGGXEKYRTL-MRXNPFEDSA-N 362.520 4.983 0 1 FJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 261185766 XJWCUVSKMVQPGX-KESTWPANSA-N 368.521 4.697 0 1 FJAF Cc1ccc(NC(=O)NC2CCN(c3cc(C)nc4ccccc34)CC2)cc1 299868361 RFABBRJKPBHVGL-UHFFFAOYSA-N 374.488 4.642 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586878411 COMIRWUOJBSAPA-WAYWQWQTSA-N 366.726 5.000 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587011487 HWGRESKJKWWNNG-UHFFFAOYSA-N 369.675 4.683 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)s1 587015124 XTKRFKZGSGAZKN-LBPRGKRZSA-N 352.463 4.949 0 1 FJAF CCOC(=O)c1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587074630 YOUWNKNBGYGBHA-UHFFFAOYSA-N 354.837 4.863 0 1 FJAF C[C@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1C(F)(F)F 587098970 VHWOEFCNKIQZNU-NSHDSACASA-N 362.351 4.895 0 1 FJAF CCOC(=O)[C@@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099316 YTBKJZIPVOAWJG-GOSISDBHSA-N 369.420 4.818 0 1 FJAF CCn1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1C 587105245 UOKPBIJTWKQBTG-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF COc1ccc2c(c1)Cc1c(nc3cccc4c3c1-c1ccccc1C4=O)C2 587107188 PUDXVAREKFGKJW-UHFFFAOYSA-N 363.416 4.950 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(Cl)ncc2[nH]1 587136448 HKSDEXPXZHVUQX-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(Cl)c3[nH]1)O2 587174342 OPYKTIYRNIFDNH-ZDUSSCGKSA-N 367.605 4.794 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1C(=O)OC(C)(C)C)CC2=O 587472078 XQBDIAIILSGNFB-GOSISDBHSA-N 371.433 4.636 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(OC)c(C)c1)CC2=O 587480971 PAFSNAPCQPOKPD-QFIPXVFZSA-N 354.446 4.851 0 1 FJAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c(C)cc(Cl)cc12 587624274 IWGIDMNIJDKORO-UHFFFAOYSA-N 362.212 4.806 0 1 FJAF Cc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587729566 VYKBDUBASXNPLA-BBATYDOGSA-N 366.249 4.833 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2ccc3nc(C)ccc3c2[nH]1 587787311 NKKWFWYAXVDFLH-UHFFFAOYSA-N 359.429 4.552 0 1 FJAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848345 NUHILTINQNZHMF-JDNHERCYSA-N 354.288 4.756 0 1 FJAF O=C(Nc1ccccn1)Nc1cc(-c2cccnc2)ccc1OC(F)(F)F 653702395 CILDJFIVENUVDR-UHFFFAOYSA-N 374.322 4.686 0 1 FJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962673114 ZQEVYQKVOLDRSK-JBRSBNLGSA-N 360.545 4.979 0 1 FJAF CC(C)(C)CNC(=O)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857550806 WPKIQACLHOSWIL-UHFFFAOYSA-N 355.457 4.556 0 1 FJAF CCCc1oc2cccc(CC3CCCCC3)c2c(=O)c1OCCCO 1857746945 ZIMQIMUVNGYATQ-UHFFFAOYSA-N 358.478 4.630 0 1 FJAF CC1=C[C@H](CN(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cc(Cl)cnc2[nH]1 2356288007 UCPYZDLSTNJXDN-ZMSDIMECSA-N 360.933 4.570 0 1 FJAF CCCC=CCCCCCCCCCC[C@]1(C)OC(=O)[C@H](CO)[C@H]1O 2356462274 MAPUWVOKJMDGSL-SBHAEUEKSA-N 354.531 4.529 0 1 FJAF O=C(CCCC(F)(F)F)C1CCC(c2nc(-c3nccs3)no2)CC1 2382257821 YULJCIWRZPESCP-UHFFFAOYSA-N 373.400 4.769 0 1 FJAF COc1ccc(-c2nc(-c3ccc(OC)cc3)n(-c3ccccc3)n2)cc1 1860724 KFGLAEHVEFYEOK-UHFFFAOYSA-N 357.413 4.619 0 1 FJAF O=C(O)[C@H]1[C@@H](C2CCCCC2)O[C@@H](C2CCCCC2)O[C@H]1C(F)(F)F 5566910 OSUJCLBTJXTGCB-KLZNWCGWSA-N 364.404 4.520 0 1 FJAF CC(=O)O[C@H](C[C@@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 15162852 DZAYTXGDCMMRGZ-DDHROXKOSA-N 372.461 4.590 0 1 FJAF endogenous,in-man CN(c1ccccc1)[C@H]1C(=O)N(c2ccccc2)[C@@H]1/C=C/c1ccccc1 16953233 LDNPWLLXLIEPKG-GERLKTCDSA-N 354.453 4.620 0 1 FJAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2=O)cc1 29404621 NIPYFGRVPHWLQW-QGZVFWFLSA-N 365.498 4.723 0 1 FJAF COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1 34435386 BVWBCENEPRSZES-LJQANCHMSA-N 365.473 4.533 0 1 FJAF Cc1cccc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)c1 49070850 FXYBNZRRMHLSKX-UHFFFAOYSA-N 365.502 4.612 0 1 FJAF CCSc1ccc(-c2cc(C(F)(F)F)ccc2OCC(=O)O)cc1 71335177 BAEUVFVUAABNHC-UHFFFAOYSA-N 356.365 4.948 0 1 FJAF Fc1ccc2nc(NCCCNCc3ccc(Cl)c(Cl)c3)oc2c1 84596288 XLRHEUANIPCDDX-UHFFFAOYSA-N 368.239 4.866 0 1 FJAF COc1ccc([C@H]2CC(=O)[C@H]3Sc4cc(F)ccc4N=C3C2)cc1OC 169715441 LFGRCLMOFIJXRX-ODXCJYRJSA-N 371.433 4.536 0 1 FJAF C=C/C(C)=C/C[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C 238747203 CDYBXHABQVLJHE-AWKDEEHNSA-N 360.494 4.914 0 1 FJAF Fc1cc(Br)cc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885283 LVPHTTQSEWWNCI-FZKQIMNGSA-N 357.226 4.836 0 1 FJAF CO[C@@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989400 HQIDEMQDBGCNCN-DEOSSOPVSA-N 367.404 4.888 0 1 FJAF CCC[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989527 ANTYCFFWSSGXSF-LBPRGKRZSA-N 357.409 4.551 0 1 FJAF COc1cnc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1Cl 587064243 GFJQSYDAEAESOQ-UHFFFAOYSA-N 359.760 4.899 0 1 FJAF Fc1cc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2cc1-n1cccn1 587085682 AUTJROKTJGULPF-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF C[C@@H](c1nc2ccnc(Br)c2[nH]1)c1ccccc1C(F)(F)F 587097173 GAAYBTATRNRYFE-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF CSc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109662 RICFMFCTEONHLG-UHFFFAOYSA-N 352.337 4.669 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)O2 587174340 OPYKTIYRNIFDNH-CYBMUJFWSA-N 367.605 4.794 0 1 FJAF CCc1ccc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2c1 587258829 UKLBTXJDIWMYQX-IBGZPJMESA-N 372.472 4.697 0 1 FJAF CCC[C@H](OC)c1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402619 ZYNPHAFYNSLDLR-UNMCSNQZSA-N 353.462 4.945 0 1 FJAF COc1ccc2oc(C3CC3)c([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587412044 LRUSPCNHRRTFBJ-LJQANCHMSA-N 363.413 4.916 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3ccc(C)cc31)CC2=O 587491016 MTWICSJLWHQPPM-JOCHJYFZSA-N 352.430 4.686 0 1 FJAF O=C1C[C@@H](c2cccc3c2OC(F)(F)O3)Oc2c1ccc1c2CCCC1 587503376 GRHQUVDKYLVOPJ-KRWDZBQOSA-N 358.340 4.593 0 1 FJAF CC(C)CC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602026 IDQLHYRFGUGURY-DENIHFKCSA-N 352.430 4.939 0 1 FJAF CC(C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603813 PQVRHHSYEOGBTA-XWFZLUIHSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2F)N1 587723727 BZWOEOLYRTVSRX-HUTHGQBESA-N 370.212 4.664 0 1 FJAF CC[C@@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733813 SLKCZWNSESFTOY-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF Cc1ccc(-n2c(S)nnc2-c2scc(-c3ccccc3)c2N)cc1 958014248 MAEONYBEDMRMHI-UHFFFAOYSA-N 364.499 4.842 0 1 FJAF Cc1ccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)cc1 1772641875 DODKSSCBRFFWJZ-UHFFFAOYSA-N 357.417 4.886 0 1 FJAF Cc1cccc(Nc2ncc(C(=O)c3cccc(-c4ccncc4)c3)[nH]2)c1 1857612216 YQRVBDWPXBYPBW-UHFFFAOYSA-N 354.413 4.755 0 1 FJAF CCCCN(CC1CCN(Cc2ccc(Cl)cc2Cl)CC1)C(C)=O 1857654459 NWTPMZUTMIESKN-UHFFFAOYSA-N 371.352 4.854 0 1 FJAF Cc1cc(C)c2c(N)c([S@](=O)c3ccc(C(C)(C)C)cc3)sc2n1 4123213 JMTHDMQJJDFLCY-DEOSSOPVSA-N 358.532 4.960 0 3 FJAF COc1ccccc1-c1cc(NC(C)=O)c2ncc(-c3ccccc3)n2c1 61904565 FRYMPKJUEHKUQR-UHFFFAOYSA-N 357.413 4.635 0 3 FJAF COc1ccccc1-c1ccccc1C(=O)NCCc1c[nH]c2ccccc12 40380398 AUGHDMPWXNMXSA-UHFFFAOYSA-N 370.452 4.816 0 1 FJAF FC(F)(F)c1cccc(Nc2ncnc3cc4c(cc23)OCCCO4)c1 45368026 JAPVOBRAYBDDFR-UHFFFAOYSA-N 361.323 4.554 0 1 FJAF Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2cc[nH]cc-2n1 103587596 AVLJZMVGYCXELR-UHFFFAOYSA-N 356.838 4.819 0 1 FJAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@@H]1C 169355888 UKJSXJBJJJWIHD-SDDDUWNISA-N 368.458 4.629 0 1 FJAF O=C1c2cc(Cl)cc(Cl)c2O[C@@H]2c3[nH]c4ccccc4c3CCN12 473089842 MKEXPMWJIBYWSD-GOSISDBHSA-N 359.212 4.564 0 1 FJAF Nc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)oc2cccnc12 587104134 DLIUBFBCLSLAGS-UHFFFAOYSA-N 363.376 4.837 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(N)cc1F 587136613 SRJBQKZXTUZNIY-UHFFFAOYSA-N 368.334 4.542 0 1 FJAF Cc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2n1 587149030 FUYAHGARLFLIBS-SFHVURJKSA-N 351.356 4.713 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(Cl)cc2[nH]1)C(C)(C)C 587206565 WRKKFAUFCUMBPL-CQSZACIVSA-N 351.878 4.698 0 1 FJAF COc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1F 587242033 LTEAOHPULIXTAK-UHFFFAOYSA-N 355.413 4.752 0 1 FJAF Oc1nc(O)c2ccc(-c3ccc(Oc4ccc(Cl)cc4)cc3)nc2n1 587369045 RYBMOTYGDWUHBB-UHFFFAOYSA-N 365.776 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccc(Cl)cc3[nH]1)CC2=O 587458575 AEZSGIQUTAHMNR-FQEVSTJZSA-N 370.836 4.755 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc(C(F)(F)F)cs1)CC2=O 587464766 XQJBXSBKNPZAME-MRXNPFEDSA-N 371.380 4.701 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(C)c(C)cc3[nH]1)CC2=O 587486685 SQXURHWMMBLYCN-IBGZPJMESA-N 350.418 4.544 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCc1cnc3ccccc3c1)CC2=O 587487105 DGRPVJAGTWXEJX-QGZVFWFLSA-N 361.441 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3ncsc3c1)CC2=O 587495630 PMJSIXHJYDQPEW-FQEVSTJZSA-N 353.443 4.835 0 1 FJAF O=C1C[C@@H](c2ccc(-n3cccn3)c(F)c2)Oc2c1ccc1c2CCCC1 587504447 JVAPEYCBDONJEL-NRFANRHFSA-N 362.404 4.597 0 1 FJAF Cc1cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2[nH]1 587587029 DYCXFACBNHUUOB-XXBNENTESA-N 371.392 4.885 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1O 587819811 BNLCRWYWBPPHEC-ADLMAVQZSA-N 364.258 4.534 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(C(=S)NCCc3ccc(Cl)cc3)n1)O2 587875780 JBRDYFQCFXOSQF-UHFFFAOYSA-N 373.840 4.414 0 1 FJAF CC(C)Oc1cccc(-c2cn3c(-c4ccc5c(c4)OCO5)cnc3cn2)c1 653759998 AKOCYPLFBQTHKY-UHFFFAOYSA-N 373.412 4.579 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c[nH]c3ccc(Cl)cc13)N(C)[C@H](C)C2 962616805 BMXDISXZTNPVNV-XUSGNXJCSA-N 370.880 4.804 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@](CCc2ccccc2)(C2CC2)N1)C(F)(F)F 962759650 CNIGMENIFOXQIP-FPOVZHCZSA-N 373.418 4.570 0 1 FJAF FC(F)(F)c1ccc2nc(N[C@@H]3OCCc4ccccc43)sc2c1 1857761573 RLBWKIOLDOHCLI-OAHLLOKOSA-N 350.365 4.999 0 1 FJAF CC1=C(C(=O)O)[C@@H](CCCCCCCCCCCC[C@H](C)CO)OC1=O 2356819699 FEGXSCTZZUZMJG-FUHWJXTLSA-N 368.514 4.623 0 1 FJAF Cc1ccnc(N[C@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 4992024 ZTXYCCSRUQWGFP-HXUWFJFHSA-N 363.848 4.810 0 3 FJAF aggregator Cc1cc(F)ccc1[C@@H](O)c1nc(-c2ccccc2C(F)(F)F)c[nH]1 61902803 QHWDEITVADQYNS-MRXNPFEDSA-N 350.315 4.625 0 3 FJAF O=C(CN1c2ccccc2Sc2ccccc21)n1cnc2ccccc21 12942837 NOZDGQUDSJMKAI-UHFFFAOYSA-N 357.438 4.979 0 1 FJAF CCCc1c([S@](=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O 13585218 QRBUGQMJMFAHKS-QHCPKHFHSA-N 351.899 4.574 0 1 FJAF in-vivo COC(=O)Cc1ccccc1Oc1c(Cl)cc(Cl)cc1N(C)C 26391541 WLSLKWHILHDOPK-UHFFFAOYSA-N 354.233 4.567 0 1 FJAF C[C@H]1CCCN(CC[C@H](C)[C@H](C)S(=O)(=O)c2cccc3ccccc23)C1 27637386 NSIUOUDAPUEWFM-FHWLQOOXSA-N 373.562 4.760 0 1 FJAF C[C@H](Nc1cncc(NCCOc2ccc(F)cc2)c1)c1ccccc1 28367702 WZOLAPLLOXSNMF-INIZCTEOSA-N 351.425 4.885 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)c(C)c2)c1 169710118 HMQWFQHVYCBHFE-UHFFFAOYSA-N 372.472 4.905 0 1 FJAF CC(C)=CCC[C@H](C)c1ccc(C)c2c1OCN(CC1CCNCC1)C2 200034459 VZPLMUMQRZOPJJ-SFHVURJKSA-N 356.554 4.996 0 1 FJAF CO[C@@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 299806296 BLHLYSLDSMMWFB-PVIWCNJMSA-N 371.908 4.696 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(F)c(F)c2[nH]1 586963411 NCZZDSCQMVUNFB-SECBINFHSA-N 370.812 4.542 0 1 FJAF FC1(F)Oc2cc3nc(-c4cnc(Cc5ccccc5)s4)[nH]c3cc2O1 587021918 QTUJXCCGDPGBFH-UHFFFAOYSA-N 371.368 4.599 0 1 FJAF Clc1ccc(CC2(c3nc4ccnc(Br)c4[nH]3)CC2)cc1 587074417 XGLSDAITBZYKTO-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF Cc1nc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1Br 587084930 KQBSKVBGBNJKFX-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF Fc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2c(F)c1F 587091980 PVKHXWDJFNRZFV-UHFFFAOYSA-N 363.286 4.697 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4cccc5c4c1CC5)[C@@H](C2)C3=O 587444618 FGCZNIWUJUCTPK-CYFREDJKSA-N 356.421 4.610 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(Cl)cc3C1)CC2=O 587461681 LQVUOTGDPULXGV-OAQYLSRUSA-N 356.849 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(CC1CCCC1)CC2=O 587483209 PTLAARWWCGKFCR-QFIPXVFZSA-N 374.477 4.582 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817422 KZLKBRJMNULWKR-SNIUQLBOSA-N 352.291 4.774 0 1 FJAF CSc1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962398953 OMQPWTPNJJCPDE-HXUWFJFHSA-N 354.544 4.956 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn3cc(C)cc(Cl)c3n2)N1 962955290 RZNCJAMSCSBTTM-XCLFUZPHSA-N 364.880 4.791 0 1 FJAF Oc1ccc(OC(F)(F)F)c([C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1 963101855 MFDPQJRXEWWJMV-FZKQIMNGSA-N 367.342 4.540 0 1 FJAF Cc1cc(-c2n[nH]c3cc(NC(=O)OCc4ccccc4)ccc23)ccn1 1857584336 WWUMBMALEWSGCB-UHFFFAOYSA-N 358.401 4.682 0 1 FJAF CC(=O)O[C@@H]1C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2CC[C@H]1C(C)C 2356453930 QSFKOXOLMLLFAI-QELZFYTISA-N 362.510 4.828 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@]21C 2356598304 LVEQJEMTPJQUOC-QDUSEVNMSA-N 374.477 4.679 0 1 FJAF O=C(Cc1ccccc1)Nc1onc(-c2ccc(F)cc2)c1-c1ccncc1 588549 FBUXJPJWIZCTBZ-UHFFFAOYSA-N 373.387 4.724 0 1 FJAF CN(C)C[C@H]1CCCC[C@@H]1[C@@]1(O)c2ccccc2CSc2sccc21 13111042 YKADOOIFTVIBPM-LDBYXDLTSA-N 373.587 4.958 0 1 FJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](CN1CCCC1)C(C)(C)C 13446377 QVDJYGZIUPKDAR-KRWDZBQOSA-N 371.352 4.505 0 1 FJAF CC(C)C1CCN(CCCCN2C(=O)c3cccc4cccc2c34)CC1 13531145 DFEGJCFQOIKENM-UHFFFAOYSA-N 350.506 4.948 0 1 FJAF CC(C)n1cc(-c2ccc(Oc3ccccc3N)cc2)c2c(N)ncnc21 26272672 ITJWOPPSOKMWCK-UHFFFAOYSA-N 359.433 4.636 0 1 FJAF Cc1cc(C(=O)c2cccc(Cl)c2)ccc1OCCN1CCCCC1 40955108 NBDXFUWREPLKKS-UHFFFAOYSA-N 357.881 4.744 0 1 FJAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(F)cc1 53229551 PDGYHHNDLCODKQ-KRWDZBQOSA-N 351.208 4.830 0 1 FJAF Cc1ccc(Nn2c(SCC(=O)c3ccccc3)nc(C)c2C)cc1 103244316 HGAMYXYFNNSPJB-UHFFFAOYSA-N 351.475 4.659 0 1 FJAF CN1Cc2cc(-c3cccnn3)ccc2[C@@H](c2ccc3ccccc3c2)C1 149777735 VLBMNJKZTDKZNF-HSZRJFAPSA-N 351.453 4.874 0 1 FJAF O=C(O)COc1ccc(-c2cc(-c3c(Cl)cccc3Cl)no2)cc1 169342543 FBOKRFKGAVYROT-UHFFFAOYSA-N 364.184 4.779 0 1 FJAF Cc1c(F)ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c12 587013465 XJVDSGPLKPATDG-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF Cc1cc2nc(CNc3ccccc3Cl)[nH]c2cc1Br 587060122 AHTUTZWNCLMNJC-UHFFFAOYSA-N 350.647 4.899 0 1 FJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cccc(O)c4[nH]3)c2)cc1 587067847 RNAZRVXUJVULRC-UHFFFAOYSA-N 350.805 4.748 0 1 FJAF Fc1ccccc1CCc1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587148288 ASFAZCUFCPUUDQ-UHFFFAOYSA-N 359.273 4.536 0 1 FJAF C[C@@H]1Cc2ccccc2[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351357 JOOAPBIHMBLVHY-FUEHQLCJSA-N 374.411 4.978 0 1 FJAF CCc1noc(C2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)n1 587527253 RRTVZJDJDTYYHO-UHFFFAOYSA-N 366.461 4.573 0 1 FJAF Cc1cc(F)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587573376 WDYRXMMZHFUDEE-RXVVDRJESA-N 350.345 4.543 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603336 MDIXVDKHAABJOH-REWPJTCUSA-N 358.393 4.504 0 1 FJAF CCc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587604749 XXYCPFXSXCUASM-IFMALSPDSA-N 374.436 4.918 0 1 FJAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)s1 587638896 SOUMCVCSTQBUNQ-UHFFFAOYSA-N 367.348 4.740 0 1 FJAF Cc1c(-c2ccccc2C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649812 LANFHADNIDXHCZ-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)F)N1 587720268 SHUNUHLXCXFWQC-BMLIUANNSA-N 370.212 4.631 0 1 FJAF CCCOc1cccc(Cc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587777782 CANDTEZJWCJRKB-UHFFFAOYSA-N 350.340 4.841 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587783270 LJUQCLSIRGGMRQ-UHFFFAOYSA-N 366.364 4.557 0 1 FJAF N=C(N)c1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783719 FOVZVSQOJWPCPO-MDWZMJQESA-N 368.440 4.596 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C)C2 587818817 FSNYJCIDVYVWIK-KQHSUYLTSA-N 374.297 4.867 0 1 FJAF COc1ccc2c(c1)[C@](C)(Cc1cc(Cl)cnc1Cl)N[C@@H]1CC[C@@H]21 962995968 NVKYASPRPXROJW-WDYCEAGBSA-N 363.288 4.704 0 1 FJAF CSCc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)o1 962998817 WIKYKQZMDIYTGQ-LJQANCHMSA-N 356.516 4.747 0 1 FJAF CC(C)c1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963112975 YCRNMDWMXTZNAD-WZONZLPQSA-N 351.465 4.996 0 1 FJAF C[C@@]1([C@H]2CC2(F)F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963834040 ZTDMYRFPNRKFNO-CTNGQTDRSA-N 368.427 4.763 0 1 FJAF COc1ccc(-c2cc3c(=N[C@H](C)c4cccc(F)c4)nc[nH]c3o2)cc1 1772617580 IBMXICUELWPXBV-CYBMUJFWSA-N 363.392 4.633 0 1 FJAF CCCCn1c(-c2cc(-c3ccc(F)cc3)[nH]c(=N)n2)nc2ccccc21 1857652402 UOZDCVFSILKBSL-UHFFFAOYSA-N 361.424 4.512 0 1 FJAF CCC(CC)CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2 1857769165 NQAPPGUSXMHRGU-LJQANCHMSA-N 370.445 4.879 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(F)c3F)cn12 3948376 UVYJJMBRCLAQBP-UHFFFAOYSA-N 358.323 4.592 0 1 FJAF COc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1 6523813 VFDQMJCSKFAKRY-UHFFFAOYSA-N 350.462 4.681 0 1 FJAF CCN(c1ccc(-c2csc(-c3ccccc3C)n2)cc1)S(C)(=O)=O 8209694 VWLLNIJVHWOOSY-UHFFFAOYSA-N 372.515 4.571 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 15153142 GPTWTKZDAAYJRN-BVIIXDKSSA-N 370.445 4.991 0 1 FJAF endogenous,in-man Clc1ccc(CN2CCN3Cc4ccccc4-n4cccc4[C@@H]3C2)cc1 27519963 DYOPDPNESZMMSU-QFIPXVFZSA-N 363.892 4.503 0 1 FJAF C[C@H]1CCCN(CC[C@@H](C)[C@H](C)S(=O)(=O)c2cccc3ccccc23)C1 27641724 NSIUOUDAPUEWFM-OTWHNJEPSA-N 373.562 4.760 0 1 FJAF O=C(O)C1(C(=O)O)CC=C(c2c(-c3ccccc3)[nH]c3ccccc23)CC1 29400351 LMMMWJNDVTWHSK-UHFFFAOYSA-N 361.397 4.558 0 1 FJAF COc1ccc2c(c1)OC[C@H]1c3cc(O)c(OC)c(CC=C(C)C)c3O[C@@H]21 59204702 KSFWNDOCIUMRTJ-PXNSSMCTSA-N 368.429 4.528 0 1 FJAF biogenic,in-vitro O=C(Nc1cc2c(Cl)nc(-c3ccccc3Cl)cc2cn1)C1CC1 169700067 HBJYBFDTRCDHLJ-UHFFFAOYSA-N 358.228 4.952 0 1 FJAF Cc1ccnc(NC(=S)N2CCCc3ccc(C(F)(F)F)cc32)c1 198404382 HMSVYCRXIQYYBR-UHFFFAOYSA-N 351.397 4.558 0 1 FJAF CC1=CC[C@H]2C(C)(C)[C@@H]3CC[C@@]2(C)[C@@H]1CC/C(C)=C/COC(=O)CC(=O)O3 238778495 LLMHUMBEEZSSMH-COZWXFEOSA-N 374.521 4.980 0 1 FJAF C[C@@H]1c2cc([C@H]3C[C@H]3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C 253837605 BRZMIZNCFORRIR-ZNZBMKLDSA-N 369.512 4.944 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)ncc3[nH]2)c(C)c1 586967211 ZVVJEMKCLRSKID-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 587051455 XPAZQOWQBYCGIO-UHFFFAOYSA-N 353.731 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2Oc2cccnc21 587491480 SUDSUYRYIVHPIF-QHCPKHFHSA-N 373.408 4.754 0 1 FJAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cc(F)ccc12 587634465 ZZJIPHUIWCZJQK-UHFFFAOYSA-N 373.252 4.846 0 1 FJAF CCCOc1cccc(Cc2nc3ccc(Br)c(F)c3[nH]2)c1 587779122 VBCFEYKIJUVBRM-UHFFFAOYSA-N 363.230 4.844 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC3)N1 587815408 MGSKWZNPTMMCRS-FKIZINRSSA-N 374.297 4.875 0 1 FJAF CSc1nn2cc(-c3cc4cccc(OC(F)(F)F)c4o3)nc2s1 653768332 ZORWETNBHKLOOG-UHFFFAOYSA-N 371.365 4.825 0 1 FJAF CCC[C@]1(Cc2ccco2)c2ccsc2CCN1Cc1cccn1C 962375033 QVHGUYJFBJOSCY-NRFANRHFSA-N 354.519 4.976 0 1 FJAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccnc4cnccc34)cc21 1857534882 YOLDPXSUMAHRFY-DEOSSOPVSA-N 365.436 4.749 0 1 FJAF OCC1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccccc2)CC1 13593577 VRNKPORYDDTFBU-UHFFFAOYSA-N 363.423 4.523 0 3 FJAF CCc1cccc(NC(=O)c2cc(/C=C/c3ccccc3)nc(S)n2)c1 5891333 DZTXYYGRYCIDCZ-VAWYXSNFSA-N 361.470 4.750 0 1 FJAF CC(C)=CCC[C@]1(C)Oc2c(CC=C(C)C)cc(C(=O)O)cc2C[C@@H]1O 13461829 BZURYTKOXWYRAG-UGKGYDQZSA-N 358.478 4.694 0 1 FJAF biogenic,in-vitro C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)[C@H](c1ccccc1)C1CCCC1 13734041 UXGYHPCEXONQIZ-WOIUINJBSA-N 356.554 4.730 0 1 FJAF CCOC(=O)c1cccc(-c2nn(Cc3ccccc3)c3ccccc23)c1 13864647 DGCOVLUYNUVONV-UHFFFAOYSA-N 356.425 4.928 0 1 FJAF CCN1C(=O)CC(C)(C)c2cc(C)c(-c3ccc(/C=C/C(=O)O)s3)cc21 28952476 BCXHZUDDEBAWHW-VQHVLOKHSA-N 369.486 4.856 0 1 FJAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2)c2cccc(F)c2c1=O 45357196 DTOUHNVAVIMSRE-UHFFFAOYSA-N 373.383 4.554 0 1 FJAF CC(C)N1C(=O)c2ccccc2C[C@]1(CCN(C)C)c1ccc(Cl)cc1 53242723 HHAVLXMLYHADSP-JOCHJYFZSA-N 370.924 4.594 0 1 FJAF c1cc(C[n+]2ccc3ccccc3c2)cc(C[n+]2ccc3ccccc3c2)c1 66075282 SREHLCDERLVEFU-UHFFFAOYSA-N 362.476 4.665 0 1 FJAF CC(C)(C)c1ccc(CN2C(=O)S/C(=C\c3cccc(N)c3)C2=O)cc1 96905872 IACDCILKMCZIHJ-PDGQHHTCSA-N 366.486 4.803 0 1 FJAF CN(C)C1(c2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 114002552 FPSHFESBMNTMNM-UHFFFAOYSA-N 359.517 4.540 0 1 FJAF O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 169295808 ZTRBOBVGGNZMJG-KTHFCVJJSA-N 358.485 4.875 0 1 FJAF CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC[C@@H]2N=O 169724429 OMOWQLFQUKOKPB-HNNXBMFYSA-N 351.362 4.502 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(CCc2ccccc2)C[C@H]1C 256068391 ODPKHHGQKIYCTJ-ZRCGQRJVSA-N 364.533 4.771 0 1 FJAF in-man O=C1c2ccccc2-c2cc(C(Cl)(Cl)Cl)nc3ccc(O)c1c23 586986230 PQDSSVOWDNIFPP-UHFFFAOYSA-N 364.615 4.979 0 1 FJAF Fc1ccccc1CCc1nc2cc(Br)c(F)c(F)c2[nH]1 587148251 AARKLQZCLQHMOX-UHFFFAOYSA-N 355.157 4.528 0 1 FJAF Nc1c(-c2nc3ccc(F)c(Br)c3[nH]2)ccc2ccccc12 587253171 CMOGRSUNFDPBPC-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4SC[C@@H]1C)[C@@H](C2)C3=O 587451754 KJFJYHZMMQCNLN-RJVYXSBYSA-N 372.873 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc(C(F)(F)F)c(C)s1)CC2=O 587464259 MODVBXMHDYZUPL-ZDUSSCGKSA-N 371.380 4.835 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](Oc2ccccc2)C1(C)C 587481073 PGABNRYDTLWEIC-REWPJTCUSA-N 366.457 4.926 0 1 FJAF Cc1ccc([C@@]2(c3ncccn3)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587514255 HXPPMKJWUCDFPQ-XMMPIXPASA-N 370.452 4.573 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cncc2ccccc12 587588129 RXUQNTAPHGBHSD-OFNKIYASSA-N 369.376 4.643 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1cnc2ccccc2c1 587661320 WXRSTGHOEXAHQH-UHFFFAOYSA-N 367.383 4.740 0 1 FJAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587729569 VYKBDUBASXNPLA-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3[nH]ccc23)N1 587802538 MQJNOPCEVKGDSP-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]3CC[C@@H]2C3)N1 587819743 MWEOBJNUZVJZFV-MNXLVCHVSA-N 352.291 4.774 0 1 FJAF Cc1nc(-c2ccc(-c3ccsc3)cc2)sc1-c1ccnc(N)n1 653840610 JXKMWDLMKYTHCN-UHFFFAOYSA-N 350.472 4.886 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(CCC(=O)OCC)c1ccccc1 963221331 ADXZBFYCWAQGKJ-YADARESESA-N 365.517 4.930 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cccc(OCCN(C)C)c1 963240666 LAJPFFSQVXVKKN-CYFREDJKSA-N 366.549 4.547 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2ccccc2C)c2ncn(C(C)C)c2c1 61948963 YHCLDYVECSQHPG-SFHVURJKSA-N 367.493 4.687 0 3 FJAF O=C(NCCc1ccccc1F)c1ccc2c(c1)ncn2C1CCCCC1 201460434 XNCRVQGSJLZKLD-UHFFFAOYSA-N 365.452 4.653 0 3 FJAF COc1ccc(NC(=O)O[C@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684763 JGEPIEFNRYBGEJ-GOSISDBHSA-N 362.857 4.590 0 1 FJAF CCC/C=C1\CCCO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C1 13828967 CUMSVDVDOMMYBC-KWJIGKFDSA-N 355.400 4.531 0 1 FJAF CC(C)Nc1nc2ccc(-c3c(-c4ccccc4F)n[nH]c3N)cc2s1 29041807 DTEVYCITSOLYHT-UHFFFAOYSA-N 367.453 4.895 0 1 FJAF COc1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1OCc1ccccc1 29571268 RHHCALWLYKHBLR-UHFFFAOYSA-N 374.396 4.516 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3ccc4nccnc4c3N)cc2)c1 40379370 FJZXDUKUMALHNP-UHFFFAOYSA-N 369.428 4.831 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1ccc(C(F)(F)F)cc1O 84739995 MUUVPKKCTLAFKB-UHFFFAOYSA-N 361.772 4.861 0 1 FJAF O=C(Oc1ccccc1/C=C/C=C1\SC(=S)N=C1O)c1ccccc1 96906481 MGSWWYPESHUEOY-GPIDLQMLSA-N 367.451 4.791 0 1 FJAF CC(=O)c1ccc2c(c1)c1c3c(ccc1n2CC[C@H]1CCCN1C)C(=O)CC3 96935368 HCMMBTOYIMVPBJ-QGZVFWFLSA-N 374.484 4.610 0 1 FJAF c1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1 96940342 XESNQMLFTITTNJ-JOCHJYFZSA-N 350.506 4.623 0 1 FJAF COC[C@@H]1CCCCCc2c1oc(O)c([C@@H](c1ccccc1)C1CC1)c2=O 100916029 VPXXSTZDNSFSTJ-HKUYNNGSSA-N 368.473 4.734 0 1 FJAF O=C(O)c1ccc(Cn2cc3c(n2)-c2cc(Cl)ccc2SC3)cc1 103179703 NQDZXVZZXWCWPC-UHFFFAOYSA-N 356.834 4.556 0 1 FJAF COc1cc(-c2ccc3ncnc(Nc4ccc(C)c(O)c4)c3c2)ccc1O 143123433 YQPMOXSWJBWGTI-UHFFFAOYSA-N 373.412 4.769 0 1 FJAF Clc1c(Br)cnc2[nH]c(CSCc3ccsc3)nc12 587024857 BYXNBOPCLBMAIT-UHFFFAOYSA-N 374.716 4.869 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)c1 587051513 XZRIFLAVERGNQN-UHFFFAOYSA-N 350.809 4.698 0 1 FJAF CCOc1n[nH]c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1Cl 587065785 ZDQPFSCBCXWOSO-UHFFFAOYSA-N 368.824 4.584 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc12 587087535 KRCUKGHBDWQQDH-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1noc([C@H]2CCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)n1 587097532 QIMCNTQBZWUECM-KRWDZBQOSA-N 367.408 4.524 0 1 FJAF Cc1ccc2c3c(cc(CN4CCC[C@H](C)C4)nc13)-c1ccccc1C2=O 587098457 VHFMQHBNJXVIOF-HNNXBMFYSA-N 356.469 4.987 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCOC1)C4)-c1ccccc1C2=O 587102418 QDSAEYWFTJJJBR-DEOSSOPVSA-N 355.437 4.650 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(=O)O)cc4[nH]3)ccc2F)cc1 587139724 RTONZFCZUNAYOP-UHFFFAOYSA-N 374.371 4.937 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1ccc(Cl)cc1)O2 587377514 JLJPYZUTICCMTP-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)c(C(F)(F)F)c1)O2 587383017 UUPQNIANGADIRK-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OC(F)(F)C(F)F)c1)O2 587383593 TUNLHUUTYLWGJG-HNNXBMFYSA-N 369.314 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3cc(Cl)c(OC)cc31)CC2=O 587458580 AGGNJPVKOOYNLH-OAQYLSRUSA-N 372.848 4.814 0 1 FJAF COc1c(F)cc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587509829 XAGKGYJVKHVMKJ-OAHLLOKOSA-N 372.411 4.819 0 1 FJAF CC(C)n1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758302 WNJXAGDRXKFGTR-APPDUMDISA-N 351.263 4.594 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587778299 KULOVBQLLDQVIH-UHFFFAOYSA-N 352.221 4.729 0 1 FJAF Cc1ccc(OC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587802026 PECXGJZNARUXLZ-KZULUSFZSA-N 364.258 4.551 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 587933100 UVPZSIPSYRNQOS-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COc1ccc(OC(C)(C)C)n1CC1CCN(Cc2ccc(F)cc2)CC1 587946024 IKFPJWBJKIMHKT-UHFFFAOYSA-N 374.500 4.725 0 1 FJAF CN(C)Cc1csc([C@@]2(C)c3ccsc3CCN2Cc2ccco2)c1 962711086 SSQQRNAKNUONRI-HXUWFJFHSA-N 372.559 4.786 0 1 FJAF Fc1cccc2c1[C@H](c1cccc(OCC(F)(F)F)c1)N1CCC[C@@H]1C2 963093095 BHLFVVBBLAQGOT-BEFAXECRSA-N 365.370 4.877 0 1 FJAF S=C1NN2C(c3ccccc3)=C[C@@H](c3ccccc3Cl)N=C2S1 1857641280 XZCOBXRDQFRGAZ-AWEZNQCLSA-N 357.891 4.630 0 1 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cc(CO)ccc1C 603498 QYMZMFAYAPGUTN-UHFFFAOYSA-N 364.445 4.771 0 1 FJAF O=C(O)CC1(Cc2nc3cc(F)ccc3n2Cc2ccc(Cl)cc2)CC1 13826761 XXJXZRBBJBHJRP-UHFFFAOYSA-N 372.827 4.675 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 26657042 MRDOIVGFARRMGI-ANULTFPQSA-N 359.473 4.779 0 1 FJAF CCCC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2[C@H]1O 28229944 AYOHBNKIDNBRON-PKTZIBPZSA-N 368.473 4.897 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1cccnc1)[C@@H]2O 28568724 FCVLVYMOBDNAMK-LWPXZRSMSA-N 361.485 4.698 0 1 FJAF in-vivo CNC(=O)c1ccc2c(c1)[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1 28571484 JJMNVQSTRSYLOB-UGSOOPFHSA-N 363.288 4.539 0 1 FJAF CCNc1ccc([C@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978543 MPHKWUBLVAYZKB-SFHVURJKSA-N 363.244 4.518 0 1 FJAF CC(C)(C[C@](O)(Cc1cc2ccncc2[nH]1)C(F)(F)F)c1ccccc1 35876736 ULOAOMMDFZMTER-LJQANCHMSA-N 362.395 4.767 0 1 FJAF COc1ccc(-c2snnc2-c2cc(Cl)c(O)c(Cl)c2O)cc1 40972915 MJKIORSQUNNUCG-UHFFFAOYSA-N 369.229 4.599 0 1 FJAF CC(C)Nc1cc(-c2nc3ncccc3nc2-c2ccc(F)cc2)ccn1 45252945 VVJCNCKPSAOYIJ-UHFFFAOYSA-N 359.408 4.713 0 1 FJAF CCOC(=O)c1c(C)oc2nc(Nc3cccc(C)c3)nc(NC(C)C)c12 64528419 NIUYDWTVJZHFGJ-UHFFFAOYSA-N 368.437 4.580 0 1 FJAF COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1 66148918 ZDIYRLBWSWKICW-UHFFFAOYSA-N 370.836 4.810 0 1 FJAF Oc1ccc(CCNc2cc(-c3ccccc3C(F)(F)F)ncn2)cc1 82162323 WIBPLELTPBHBJH-UHFFFAOYSA-N 359.351 4.523 0 1 FJAF N=C(Nc1cccc(CNCCc2cccc(F)c2)c1)c1cccs1 98208518 QJSHZJYEBIUVCD-UHFFFAOYSA-N 353.466 4.657 0 1 FJAF in-vitro O[C@]1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1(F)F 118721572 VSYXPEOPYUZLMW-GFCCVEGCSA-N 360.109 4.806 0 1 FJAF OCc1ccc(-c2nn(Cc3ccc(C(F)(F)F)cc3)c3ccccc23)o1 143978395 VSORCADJAVHFHV-UHFFFAOYSA-N 372.346 4.856 0 1 FJAF Cc1cc(C2(O)CCC2)ccc1-c1cc2c(C(=O)O)c[nH]c2cc1Cl 219340085 JLOXWFOZOYIWFD-UHFFFAOYSA-N 355.821 4.866 0 1 FJAF O[C@H](COc1cccc(C2CCCCC2)c1)CN1CCc2ccccc2C1 219728493 MHRKVLMXYZWTQD-QHCPKHFHSA-N 365.517 4.532 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(SC)cc2[nH]1 586915547 FUGXGUGBEHGQFZ-FOIQADDNSA-N 352.459 4.501 0 1 FJAF Brc1ccnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c12 587023956 TUMVHROMFFCZGV-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3ncsc3-c3ccccc3)nc2c1 587028672 ZSQSZMFOGIRPNW-UHFFFAOYSA-N 369.833 4.793 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(C(=O)OC)c(OC)c2[nH]1 587062256 PGQHSUZFUISEHK-CQSZACIVSA-N 374.824 4.542 0 1 FJAF Clc1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc2ccccc12 587085853 KWLMRLQDBUITNW-UHFFFAOYSA-N 351.793 4.593 0 1 FJAF Cc1ccc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c2n1 587138656 PNGUWYXRYYSTPM-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 587169816 AWVAWLIKOFSLJA-VIFPVBQESA-N 366.259 4.755 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2c1 587241856 BZLGFMFYTQGPRV-UHFFFAOYSA-N 373.412 4.856 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCCC3)cc1Cl)O2 587376249 QWSQOCPGVFXJTL-HXUWFJFHSA-N 370.880 4.927 0 1 FJAF CCCCCOc1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442558 QSXCXVYJORPZGM-XXBNENTESA-N 366.457 4.927 0 1 FJAF O=C1C[C@@]2(COc3ccc(Cl)cc3C2)Oc2c1ccc1c2CCCC1 587499142 HNSSKNLGGYNRJU-NRFANRHFSA-N 354.833 4.558 0 1 FJAF O=C1C[C@@](c2ccccc2)([C@@H]2CCCCN2)Oc2c1ccc1c2CCCC1 587525532 NTDWHPQWQISBBB-LADGPHEKSA-N 361.485 4.568 0 1 FJAF CCOc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803528 WXXSKMYMFPXPPD-BBATYDOGSA-N 364.258 4.611 0 1 FJAF CC[C@@]1(c2cccs2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587849291 SCJJWEHASRTOPK-MGPLVRAMSA-N 354.288 4.838 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@H](C)OC(C)C 587858954 QQIXETFMOWXTSI-NSHDSACASA-N 371.264 4.709 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc2ccccc2c1 587871043 XVBWSFDDZULLQY-UHFFFAOYSA-N 360.388 4.930 0 1 FJAF Cc1ccnc2c1CCN[C@@]21C=C(c2ccccc2)Oc2ccc(Cl)cc21 963076908 UBLBQWGXESZWCE-HSZRJFAPSA-N 374.871 4.866 0 1 FJAF Cc1cc(-c2cccc3ccccc23)sc1C(=O)N1CCC(CO)CC1 1772599794 KCRXRZYHSMXJDI-UHFFFAOYSA-N 365.498 4.721 0 1 FJAF O=C(Cc1ccccc1)Nc1ccc2c(c1)C[C@H]1c3ccsc3CCN1C2 1857747025 YBMCMHJGWDPJJH-NRFANRHFSA-N 374.509 4.585 0 1 FJAF COc1ccc(N2C(=O)c3n[nH]c(C(C)C)c3[C@@H]2c2ccc(C)cc2)cc1 199730534 YDCGLOREUZVCFY-NRFANRHFSA-N 361.445 4.600 0 3 FJAF O=C1N(CCCCCCOc2ccc(Cl)cc2)CCN1c1ccncc1 29394018 XGDLDOWGZFLWLD-UHFFFAOYSA-N 373.884 4.616 0 1 FJAF Cc1ccc(Nn2c(SCC(=O)c3ccc(F)cc3)nc(C)c2C)cc1 103243290 AZAFSVDIOQJUMW-UHFFFAOYSA-N 369.465 4.798 0 1 FJAF Cc1ccc2c(c1)nc(CCc1ncc3ccccn13)n2-c1ccccc1 169349797 NAGFJJRSJXQNJP-UHFFFAOYSA-N 352.441 4.767 0 1 FJAF Brc1ccc(-c2nc3ccc(N4CCCCC4)nc3o2)cc1 205326132 RISIFWRXFKJXOI-UHFFFAOYSA-N 358.239 4.643 0 1 FJAF CCO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(CO)=CCC[C@H]23)CO1 238750332 FBKNZLADDYQBKT-OUOFTWIQSA-N 350.543 4.937 0 1 FJAF Cc1nn(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)c(C)c1Cl 587064747 FJWOINXZZBFQRQ-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cc(Cl)nc1Cl)O2 587378705 DFSQEADGPRHNSL-NSHDSACASA-N 357.624 4.639 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)cc(C(F)(F)F)c1)O2 587382034 MQLOYXCQGJGSHO-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccccc4C)n1)[C@@H](C2)C3=O 587449028 DBBAFJYKIIQCGS-YWZLYKJASA-N 363.438 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(O)c(C(C)C)c1)(C(C)C)[C@@H](C2)C3=O 587451199 QDEZXUJODWBVLD-MBSDFSHPSA-N 366.457 4.823 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C3CC3)n(C(C)C)n1)CC2=O 587476247 QVAQJWMDMCHBHT-HXUWFJFHSA-N 354.450 4.706 0 1 FJAF Cc1cc(Cl)c2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587499870 NNLZONSMTIOZPQ-IBGZPJMESA-N 366.848 4.881 0 1 FJAF Cc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731333 ZAQVZQJYJPMOQY-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(C)c3c2)N1 587758522 QKOQDTMBIJTADQ-JEOXALJRSA-N 373.269 4.704 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@@H]1c1ccc(C)cc1 587871951 QQERUDHOHLCDOK-RTBURBONSA-N 364.420 4.840 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4ccc(Cl)c(C)c4[nH]1)(C3)C2 587949911 NBHWULRVTMZLQE-LWYUSKRHSA-N 358.869 4.678 0 1 FJAF Cc1cc(F)cc([C@@]2(c3cc(F)cc(F)c3)NCCc3c(C)ccnc32)c1 963072517 SSXDHXKLFKXYGV-QFIPXVFZSA-N 368.402 4.553 0 1 FJAF CC(C)(C)c1[nH]c2c(F)cccc2c1[C@H]1NCCc2c(C(=O)O)cccc21 963135159 XFYLEGXOTFPSBP-IBGZPJMESA-N 366.436 4.538 0 1 FJAF Brc1cccc(C[n+]2ccc3ccnc4c3c2-c2ccccc2-4)c1 1772609211 VUPHPKNMPGUPNU-UHFFFAOYSA-N 374.261 4.981 0 1 FJAF CC(C)CN1CCc2c(ccc3[nH]ccc23)[C@@H]1c1ccc(/C=C/C(=O)O)cc1 1857552681 HRLHOAPGBLHTAI-OGZUKIFOSA-N 374.484 4.869 0 1 FJAF Nc1ccc2nc(N3CCc4c([nH]c5ccc(Cl)cc45)C3)sc2c1 1857612708 YFGZZZMEFARFIQ-UHFFFAOYSA-N 354.866 4.576 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]2C[C@@]3(C)[C@H]4C[C@@]12C[C@]43C 2356580249 NLDXAZWXVUJQQN-PTRMINJESA-N 374.521 4.662 0 1 FJAF CCn1c(/C=C/N(C(C)=O)c2ccccc2)[n+](CC)c2cc(Cl)ccc21 15974235 DBJWSKMLICHWPM-UHFFFAOYSA-N 368.888 4.646 0 3 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(C(C)C)cc2)O1 95566996 RMWUUAXMODOHIW-CRAIPNDOSA-N 358.507 4.777 0 3 FJAF CCCCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1 3629209 BGNOLNWEDJWWJL-UHFFFAOYSA-N 364.493 4.826 0 1 FJAF CN(C)c1ccc(-c2nc(N(C)Cc3ccco3)c3ccccc3n2)cc1 4258476 NYIAMZTVDFGSMO-UHFFFAOYSA-N 358.445 4.592 0 1 FJAF CCCCN(CC)c1cc(C)nc2c1NCCN2c1ccc(OC)cc1C 14975045 AKCRCXMZFCNHMM-UHFFFAOYSA-N 368.525 4.897 0 1 FJAF CCC(=O)C(Cc1ccc(/C=C/c2ccc(OC)cc2)cc1)C(=O)CC 34075120 MFYVLSUYEDNMSX-VOTSOKGWSA-N 350.458 4.983 0 1 FJAF 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FJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2c(C(C)(C)C)cccc2[nH]1 587037924 AIWMQLQLOSRPCA-UHFFFAOYSA-N 373.482 4.726 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3ccc(N)cc3C(F)(F)F)nc2c1 587095478 GEVURPFNALRDCB-UHFFFAOYSA-N 370.172 4.902 0 1 FJAF FC(F)(F)c1ccn(CCc2nc3ccc(Oc4ccccc4)cc3[nH]2)n1 587118923 SSYHCJLUMMXPPA-UHFFFAOYSA-N 372.350 4.813 0 1 FJAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)cc(Cl)c2[nH]1 587174251 HZRAIDCCNCGGHK-ZDUSSCGKSA-N 363.223 4.733 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587189235 AFZXWZHZCUVBLM-HNNXBMFYSA-N 372.856 4.568 0 1 FJAF Cc1cnc(Cl)c2nc(-c3ccc(C(=O)Nc4ccccc4)cc3)[nH]c12 587244655 QQAAWJNVHTXJQQ-UHFFFAOYSA-N 362.820 4.839 0 1 FJAF CCOC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364202 ZNLBGAJZNHWRHL-MRXNPFEDSA-N 373.408 4.859 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(Cl)cc(C)cc31)O2 587379817 LDTSCCUPYDBBSZ-HXUWFJFHSA-N 357.837 4.572 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C)c3C)nc1)O2 587394310 TXRRMDFLRCJTLE-QFIPXVFZSA-N 358.441 4.963 0 1 FJAF COc1ccc(-c2ccccc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587399363 KMQLHBIMZRTTCF-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)O2 587404869 SMSUSPSBLQFPCV-OXJNMPFZSA-N 357.494 4.579 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cccc1C(F)(F)F)[C@@H](C2)C3=O 587419653 HMJPXODRQGVUHI-DYZYQPBXSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1ccc(C)cc1)CC2=O 587471099 ZDRZRPPTBWNMNP-ZVQQDINOSA-N 365.473 4.589 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Br)cs1)CC2=O 587492793 CRGQAUPYVCXELS-CQSZACIVSA-N 367.264 4.875 0 1 FJAF CC(=O)n1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515069 JABNQVYSLXAGGK-JOCHJYFZSA-N 359.425 4.887 0 1 FJAF CC(C)COc1cccc(OCc2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587566162 YOJNJRGGLVPZJH-UHFFFAOYSA-N 365.355 4.591 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Cl 587569232 HCGXFAQYNBCXEY-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF C[C@]1([C@H]2CC3CCC2CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603712 RAYYZPJNINOOPA-QDYXAJEHSA-N 364.441 4.939 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1c(Cl)cccc1Cl 587650022 USXNZOWKSQJZHN-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)(F)F)N1 587708833 FCBIUQILZKXNRI-SDBXPKJASA-N 354.185 4.680 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3nc4ccc(Br)cc4[nH]3)n1)O2 587871744 AWRVCZIPFXTZIP-UHFFFAOYSA-N 371.169 4.423 0 1 FJAF COc1ccc2c(c1)[C@@](C)(c1ccc(Cl)cc1OC)N(C(C)C)CC2 962095529 UVSFPGJDJJWUKG-OAQYLSRUSA-N 359.897 4.887 0 1 FJAF Fc1cccc2c1CC[C@]1(C2)c2cccc(F)c2CCN1[C@H]1CCSC1 962722086 YIIVHAQPTIHCJR-AOMKIAJQSA-N 371.496 4.713 0 1 FJAF O=C(O)c1cccc2c1CCN[C@@H]2c1ccc(F)c(Oc2ccccc2)c1 963121765 LIZMIEWNMBXXCJ-OAQYLSRUSA-N 363.388 4.551 0 1 FJAF COc1cccc([C@]2(c3ccc(F)cc3)NCCc3cccc(Cl)c32)c1 963391237 QRVQSHKFNAPYDF-QFIPXVFZSA-N 367.851 4.925 0 1 FJAF CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C(=O)[C@H](C)C=C(C)C=CC[C@@H](C)C(=O)O 2356520615 SVBYZDJRYNOEIV-RMMWZPCPSA-N 364.526 4.794 0 1 FJAF C[C@@H](NC=O)[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 2356680105 UVZXIKHRPFCSKF-UKLYKMQYSA-N 374.613 4.710 0 1 FJAF CCC=CC[C@@H](O)C=CC=CCC=CC=C[C@@H](O)CCCCCC(=O)O 2356710081 JUBMLVBCKBUAQW-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61929340 LZALHZWOVITIST-HNNXBMFYSA-N 352.743 4.831 0 3 FJAF O=C(NCCc1ccccc1)c1cc(Nc2ccccc2)nc2ccccc12 3585702 IEYFSOQQPNRUFT-UHFFFAOYSA-N 367.452 4.951 0 1 FJAF CCc1cc(SCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887508 JOXLHLUBKIVNIJ-UHFFFAOYSA-N 369.273 4.986 0 1 FJAF Cc1cccc(N(C)C(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 14945183 YGUQDYVWPNWASR-UHFFFAOYSA-N 371.440 4.574 0 1 FJAF CCC[C@H](CC)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576232 UMCMCYKHVWJOKE-YWZLYKJASA-N 366.461 4.870 0 1 FJAF CC(C)n1c(NC2CCN(CCc3ccccc3)CC2)nc2ccccc21 29560286 PXSRXDWQLNKHBU-UHFFFAOYSA-N 362.521 4.736 0 1 FJAF COc1ccc(N2O[C@@H](CO)C[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 38244467 LEVMIUWXDINKKO-DHIUTWEWSA-N 361.441 4.606 0 1 FJAF CCOCc1cc2c3n1CCC[C@@]3(CC)CCC(=O)Nc1ccccc1-2 43015015 UNVXNWJNODKIRV-QFIPXVFZSA-N 352.478 4.866 0 1 FJAF biogenic C[C@@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1[C@H]2C)OCc1ccccc1 58500474 CUHNXKIICYLWNY-SRWPTAKMSA-N 365.517 4.522 0 1 FJAF Cn1nccc1C1=CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 58615654 VHPGMNFYRNXNDD-NFLIXYCQSA-N 352.522 4.737 0 1 FJAF O=C(c1nccs1)N1CCC[C@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176542 ZDRLSVCSTYWGGZ-KRWDZBQOSA-N 369.877 4.836 0 1 FJAF COc1ccc2cc1Nc1nc(ncc1Cl)Nc1cccc(c1)CC2 82155456 YRYMEBBSKQQRKU-UHFFFAOYSA-N 352.825 4.724 0 1 FJAF O=C1Nc2ccccc2/C1=C(\c1cccc(F)c1)c1nc2ccccc2[nH]1 84740255 MEVPRNFNZQYFKY-VXPUYCOJSA-N 355.372 4.613 0 1 FJAF Cc1ccccc1[C@H](OC[C@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 169301452 BWNMYDFFSCWUHU-CXFRRJOOSA-N 367.533 4.725 0 1 FJAF c1ccc(CN2CCC(Oc3nc4ccsc4n4cccc34)CC2)cc1 169329269 ARPPGOSATDMFRN-UHFFFAOYSA-N 363.486 4.592 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(Br)cc(Cl)c3[nH]1)C2 586887543 UVSGYVVDJAPZDJ-LPEHRKFASA-N 365.658 4.618 0 1 FJAF CCOC(=O)c1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587074313 RWADNRIRYNJWKU-UHFFFAOYSA-N 354.837 4.667 0 1 FJAF COc1cc(OC)c2[nH]c(-c3cnc4ccc(C(F)(F)F)cc4c3)nc2c1 587113624 VZOOVOGJLFHYAV-UHFFFAOYSA-N 373.334 4.814 0 1 FJAF CCCc1nc(-c2nc3cc(Cl)c(C)cc3[nH]2)nn1-c1ccccc1F 587157095 VTXQSSVHYKICNM-UHFFFAOYSA-N 369.831 4.864 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc2c1 587171245 JZDKSAVTVQKREJ-UHFFFAOYSA-N 369.346 4.605 0 1 FJAF COc1ccc(NC(C)(C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1 587201521 QHXUXUSDZFSXQL-UHFFFAOYSA-N 351.237 4.621 0 1 FJAF O=C(O)CC[C@@]1(c2ccccc2)CCCc2c1nc1cccc3c1c2CC3 587215694 RRQYVYXHFBABGM-XMMPIXPASA-N 357.453 4.821 0 1 FJAF CCOc1cccc2cc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587408009 GIMDGSYCMRWJQZ-NRFANRHFSA-N 351.402 4.603 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(CC(F)(F)F)s1)CC2=O 587461325 MEYXDQLTYNVQRM-CYBMUJFWSA-N 371.380 4.613 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccc(C)cn1)CC2=O 587470561 LFBLZZXSYLIVOC-FQEVSTJZSA-N 362.429 4.545 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1 587542790 ADXZHKHJGYUXGY-YLJYHZDGSA-N 352.773 4.749 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2F)N1 587725902 SSKJFJKUVLLXSR-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587783812 ARSAEYPZQONVKY-CHWSQXEVSA-N 361.228 4.813 0 1 FJAF C[C@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818871 GDDDQBNJRASUAR-MRRFBWAASA-N 374.297 4.948 0 1 FJAF Cc1cccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1C 587873844 OEPGOYXUTOSTKD-CYBMUJFWSA-N 352.365 4.519 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC 587925130 AUAQLZYCNKOTKZ-LLVKDONJSA-N 364.367 4.945 0 1 FJAF COc1ccc2c(c1)[C@](c1cccc(F)c1)(c1ccnc(C)c1)N[C@@H]1CC[C@H]21 962996962 PSGJVCKZPIVEBX-JRFVFWCSSA-N 374.459 4.679 0 1 FJAF Cc1cc([C@]2(C)NCCc3cc(Cl)ccc32)ccc1Br 963390190 GPCMOJRZWOEDRA-KRWDZBQOSA-N 350.687 4.820 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2C1=C(Cl)c2ccccc2CC1 963640488 WDWIXUQFZFPQJR-XMHCIUCPSA-N 369.892 4.875 0 1 FJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1C[C@H](C)OC2=O 2356308960 MOMMXCDOMXCEJA-HNNXBMFYSA-N 360.450 4.574 0 1 FJAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@H]2[C@@H]1CCC[C@H]2C 2356576390 ZAWHOLMDNIHGEJ-SKWUIDRYSA-N 351.446 4.610 0 1 FJAF COc1cccc(-c2cnc3cnc(-c4cccc(OC(C)C)c4)cn23)c1 2382226912 AUWFWYNJQQQBRJ-UHFFFAOYSA-N 359.429 4.859 0 1 FJAF O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882124 WTLSILCKHMMQAL-OAHLLOKOSA-N 370.499 4.697 0 3 FJAF aggregator CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2cccc3ccccc23)O1 95569457 JBXRZDALEHREMW-LIRRHRJNSA-N 366.486 4.807 0 3 FJAF O=C(Nc1ccccc1C(F)(F)F)O[C@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590737 MMJXZDNFMKGFDK-GFOFROLCSA-N 368.399 4.517 0 3 FJAF O=C(Cn1c(-c2cccs2)cc2ccccc21)NCCc1ccccc1 6750723 ZPXKYGBFDSDRCP-UHFFFAOYSA-N 360.482 4.729 0 1 FJAF CC1(C)CCC[C@@]2(C)Oc3c(c(O)cc(O)c3C(=O)c3ccccc3)C[C@H]12 13376337 NUBZMOOMCLFMKK-WZONZLPQSA-N 366.457 4.849 0 1 FJAF biogenic CCCC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2[C@@H]1O 28229936 AYOHBNKIDNBRON-GOTSBHOMSA-N 368.473 4.897 0 1 FJAF Cc1ccccc1C(=O)NCCCCNc1ccnc2cc(Cl)ccc12 35190614 PEBZBWBLJOFDAJ-UHFFFAOYSA-N 367.880 4.819 0 1 FJAF COc1ccc(-c2c3c(cc4c2[nH]c2ccccc24)COC3=O)cc1OC 64539839 UTDXQHQFVSEELC-UHFFFAOYSA-N 359.381 4.676 0 1 FJAF COc1ccc(-c2cnc3c(-c4ccc5cnccc5c4)cnn3c2)cc1 96927004 XQWNRSMPSFILLW-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF Cc1cn2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)cc2n1 114035690 GLOKHTIHUXDYDZ-UHFFFAOYSA-N 354.457 4.710 0 1 FJAF O=C(O)c1ccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)cc1 205480998 HWNKTQTVTRXALF-UHFFFAOYSA-N 374.322 4.681 0 1 FJAF O[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299807871 ZYCCDGNCYIZABH-KKGFQHLNSA-N 361.529 4.953 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc3ccccc3cc2[nH]1 586962414 DXZREKRMHYEYCH-INIZCTEOSA-N 350.447 4.764 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)cnc(Cl)c2[nH]1 587026790 IRWHJQWYPUKLKU-UHFFFAOYSA-N 365.245 4.880 0 1 FJAF CCOC(=O)c1ccc2nc(Cc3ccc(C)c(C(F)(F)F)c3)[nH]c2c1 587095539 JNZIDBKMWXUZRT-UHFFFAOYSA-N 362.351 4.658 0 1 FJAF COc1c(F)ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1N 587132774 HDFNVHCIMNCPLE-UHFFFAOYSA-N 359.710 4.632 0 1 FJAF O=C(/C=C\c1nc2ccc(OCc3ccccc3)cc2[nH]1)Nc1ccccc1 587243918 KFLSTQIYLDPXCS-YPKPFQOOSA-N 369.424 4.794 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605337 YZZODIZDUIWIOI-URXFXBBRSA-N 372.420 4.812 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C(C)(C)SC2(C)C 587859089 VKLGKRCLKQVHIJ-VIFPVBQESA-N 358.320 4.622 0 1 FJAF COc1cc2c(cc1OC)[C@@](C)(CCc1ccc(C)cc1)N(C)[C@@H](C)C2 962630732 SSCWKEBXUANZOE-GAJHUEQPSA-N 353.506 4.737 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(OC)c(Cl)c1N 963230297 PEHGVXUCFDQDHM-SPLOXXLWSA-N 358.913 4.851 0 1 FJAF CC/C=C(/C=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772650350 CTUXHJXJVGZLQK-VUORTJFXSA-N 369.461 4.810 0 1 FJAF COc1ccccc1OCCNCCc1cccc2[nH]c3ccccc3c12 1857535873 MJNGBHBPAWZUCT-UHFFFAOYSA-N 360.457 4.541 0 1 FJAF O=c1c2cnccc2cc(-c2ccccc2)n1Cc1c[nH]c2ccccc12 2356284167 QMEQVCBFCFURDO-UHFFFAOYSA-N 351.409 4.593 0 1 FJAF CCC[C@@H]1C[C@H]2CCc3c([nH]c4ccc(OC)cc34)[C@@](C(=O)OC)(C1)C2 2356726049 VTPKXBMSSJJZPO-DOQJBMMISA-N 355.478 4.750 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@H]2c2ccccc2)O1 61920929 WBXIKGVHDUBYET-RXVVDRJESA-N 364.441 4.713 0 3 FJAF c1ccc(CNc2nc(NCc3cccs3)nc3ccsc23)cc1 61930020 HZPVDNXWZZRHOS-UHFFFAOYSA-N 352.488 4.977 0 3 FJAF COc1ccc(-c2cncc(-c3cc(NCc4ccco4)nc(C)n3)c2)cc1 1497187 SDEGUZVQJMOSHT-UHFFFAOYSA-N 372.428 4.728 0 1 FJAF C[C@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388147 SSFLLJHYNMDQDP-GZWQRGTNSA-N 357.538 4.770 0 1 FJAF Oc1c(C(c2ccco2)c2ccc3cccnc3c2O)ccc2cccnc12 29553032 WJUJERHUSFXRGQ-UHFFFAOYSA-N 368.392 4.967 0 1 FJAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82152519 LJWWHTXSCRKEFS-CQSZACIVSA-N 370.472 4.556 0 1 FJAF COC(=C\C(C)=C\[C@H]1CCCc2oc3ccc(O)cc3c21)/C=C/C(=O)O 96095395 LWPQRRAIIWETLD-NKZSGIIPSA-N 354.402 4.676 0 1 FJAF in-vitro Clc1ccc(OCCN2[C@@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 100753850 YZLWLOOEGMGHIW-FOIQADDNSA-N 352.865 4.962 0 1 FJAF O=C(O)c1ccccc1Nc1cc(Br)cc(C(F)(F)F)c1 103285749 AHGYFPWQYCJJDR-UHFFFAOYSA-N 360.129 4.910 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587040175 LHHAVVOETCRZPN-NSHDSACASA-N 373.400 4.564 0 1 FJAF CCOC(=O)C[C@@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099248 XHHYKSQQRCVMER-AWEZNQCLSA-N 371.436 4.738 0 1 FJAF Cc1cncc2nc([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587128756 PLXFMBTVXHJWIY-LURJTMIESA-N 361.730 4.601 0 1 FJAF Nc1cc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)ccc1F 587139441 JKAQXQVBRSLAQL-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Cl)c(Br)cnc3[nH]2)c1 587162629 XTSMJEYEYMWRCV-NXEZZACHSA-N 366.621 4.784 0 1 FJAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587349611 VGGAAPSZWYQKQB-UGKGYDQZSA-N 365.404 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCCC[C@H]1C(=O)OCC)CC2=O 587477868 HQNBZLYEUXWOHD-HTAPYJJXSA-N 374.477 4.582 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccn1)(c1cccs1)CC2=O 587492279 BNZYYGNTQDBQCP-NRFANRHFSA-N 365.454 4.710 0 1 FJAF COc1cc2c(cc1[C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)O[C@H](C)C2 587536248 STLYGOILQOYJEB-DMZKTXOQSA-N 364.441 4.604 0 1 FJAF C[C@@]1(c2cccc(F)c2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569181 PHVSBSGPCQEITH-UWJYYQICSA-N 368.335 4.547 0 1 FJAF CCn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587580047 WWHNPLGOQFHPPF-KNQAVFIVSA-N 363.413 4.533 0 1 FJAF COc1ccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)Cl)cc1 587634194 UIFMGGLETQJRRP-UHFFFAOYSA-N 353.727 4.997 0 1 FJAF CCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587849646 UXBNZIOUZVHEKV-ABKXIKBNSA-N 354.288 4.836 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncncc1Cl 587855782 JYPGPPZEYAVYTI-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF Cc1ccc(C)c(Cc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587958731 IPOHMQJRMFCHTJ-UHFFFAOYSA-N 355.310 4.820 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587959526 OPQZKQBGWJXGLY-UHFFFAOYSA-N 368.362 4.890 0 1 FJAF O=C(O)c1cccc(NC(=O)c2ccc(Br)c3ccccc23)c1 621476474 BILPLTMHQNNHIW-UHFFFAOYSA-N 370.202 4.553 0 1 FJAF CCCC1CCC2(CC1)c1ccccc1C[C@@]1(C3CCC3)C(=O)NC(=O)N21 962668830 OXLKELVYXKVFQR-KKOYGPPHSA-N 366.505 4.519 0 1 FJAF CCOc1cccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c12 1857584379 VYNGIQBPIAAUQD-UHFFFAOYSA-N 372.468 4.739 0 1 FJAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1cccc(F)c1 1857767599 DSGHLZFJLCRYJS-UHFFFAOYSA-N 355.344 4.583 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC 2356478525 HSNPSWRYBNJNOF-UTYWTXRGSA-N 362.510 4.670 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@H]2CC[C@@]3(C)C=C[C@@]12C3 2356624340 BDOAWQRZWHQUEM-PYOHVKMUSA-N 360.494 4.582 0 1 FJAF O=C(NCC[C@@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 29040712 FYRPRLROAVQHPT-HNNXBMFYSA-N 363.379 4.825 0 1 FJAF c1ccc(Cn2cnc3cc(Nc4ncnc5ccccc45)ccc32)cc1 29207391 STIOXNKQSXTMJD-UHFFFAOYSA-N 351.413 4.771 0 1 FJAF O=C(O)C1(C(=O)O)CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1 29395368 NGXOEDWIIXLCRN-UHFFFAOYSA-N 363.413 4.648 0 1 FJAF Clc1ccc(CO[C@H](CCn2cncn2)c2ccco2)c(Cl)c1 71297098 ZMLXKIKNMZKEDR-MRXNPFEDSA-N 352.221 4.526 0 1 FJAF Nc1nc2c(NCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12 72176430 STNHPPUKBIEADN-UHFFFAOYSA-N 365.440 4.768 0 1 FJAF COc1ccccc1Nc1cc2[nH]c(-c3cnn(C(F)F)c3)cc2cn1 103250547 UNVSMSCAFUYXNO-UHFFFAOYSA-N 355.348 4.574 0 1 FJAF CCCOc1cc2nc([C@@H]3CCCC(=O)CC3)[nH]c2cc1Br 586884627 QVGITHCQPKMHHV-LLVKDONJSA-N 365.271 4.731 0 1 FJAF COc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586976935 JBMHXNPZNQBUDT-UHFFFAOYSA-N 367.630 4.566 0 1 FJAF COc1cc2nc(COc3ccccc3C3SCCS3)[nH]c2cc1C 587042653 VGBJDNFGYOJMGT-UHFFFAOYSA-N 372.515 4.938 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3c(C)ccc(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587060578 AQDWSOKKMHVTAU-QRWLVFNGSA-N 367.880 4.910 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1 587090170 MRYHQZCEQAHYLI-OAHLLOKOSA-N 356.706 4.717 0 1 FJAF CCC[C@@H](C)OC(=O)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107692 TUGAEXJWTSVLSD-CQSZACIVSA-N 359.425 4.721 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Cl)cnc3[nH]2)c1 587158272 BMXAOVYJIPAFMN-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF Cc1cc2nc(-c3cnc4c(F)cccc4c3N)[nH]c2cc1Br 587176939 WMZAHCRCNYXLCD-UHFFFAOYSA-N 371.213 4.570 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2c(Cl)c(Cl)cnc2[nH]1 587229559 YRTBCKNBLOPLJM-UHFFFAOYSA-N 365.264 4.626 0 1 FJAF COc1cc(OC)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc2c1 587242423 SFTNNOJNOYCCJR-UHFFFAOYSA-N 367.449 4.622 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587250993 VTTZTIFJXXMNBQ-UHFFFAOYSA-N 357.413 4.640 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccccc1Cl)O2 587379798 WTDYJGLAJCXEIY-LJQANCHMSA-N 352.821 4.728 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4cc(OC)ccc4c1)[C@@H](C2)C3=O 587441233 FPARGSZUYOUJQS-WMZHIEFXSA-N 360.409 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccccc3n1CCC)CC2=O 587479580 ZZZCKNKQMYTBLO-HXUWFJFHSA-N 364.445 4.811 0 1 FJAF CCCC[C@@]1(CCCCC(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 587489070 MSWRQAPLRKOLPD-OAQYLSRUSA-N 362.466 4.884 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(S)[nH]c3ccccc13)CC2=O 587489479 CMKOTYCFQMPXJR-QGZVFWFLSA-N 353.443 4.821 0 1 FJAF O=C1C[C@@]2(CCC=C(NNc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587511092 MZFWHGZIRHNQOA-DEOSSOPVSA-N 374.484 4.954 0 1 FJAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587527015 VVRUIYNFVFLUMW-HXUWFJFHSA-N 352.430 4.679 0 1 FJAF Cn1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)ccc21 587579152 SSAOHKFOAAERCR-REWPJTCUSA-N 371.392 4.587 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCC2(CC1)CC2 587602959 KFYULLXZHZXIRR-GHTZIAJQSA-N 350.414 4.693 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587824900 AZVPYTHAYQBNLM-RTRLTSMRSA-N 352.291 4.918 0 1 FJAF Cc1csc([C@@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645168 SDPABCCQDXOGGX-REWPJTCUSA-N 360.526 4.893 0 1 FJAF CC(C)c1ccc2c(c1)[C@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963112965 YCRNMDWMXTZNAD-FDDCHVKYSA-N 351.465 4.996 0 1 FJAF CCC[C@@]1(c2ccc(Cl)cc2Cl)NCCc2c(C(=O)O)cccc21 963127175 ZGPKGTRQFAAYCU-LJQANCHMSA-N 364.272 4.881 0 1 FJAF CC(C)=CCC[C@@]1(C)Oc2cc(O)cc(CCc3ccccc3)c2C[C@H]1O 1857586263 XQUVUAZOPHFHOJ-DNQXCXABSA-N 366.501 4.978 0 1 FJAF Nc1ccc2c(c1)C(c1ccc(Br)cc1)c1cc(N)ccc1-2 2382227931 GFXWHWIKDDGZLM-UHFFFAOYSA-N 351.247 4.774 0 1 FJAF CC(=O)c1cccc(-c2cnc3c(NC=O)cc(-c4ccccc4F)cn23)c1 61895576 HRCXMQOVOBAZBV-UHFFFAOYSA-N 373.387 4.578 0 3 FJAF CNc1nc2cnc(Nc3ccc(F)c(Cl)c3)cc2n1-c1ccccc1 206019214 RSVAWTVKPZZYES-UHFFFAOYSA-N 367.815 4.998 0 3 FJAF Cc1ccc(CSc2nc(C)c(Oc3ccc(F)cc3)c(=O)n2C)cc1 1047982 LLRVFVFSYMBHBY-UHFFFAOYSA-N 370.449 4.621 0 1 FJAF CC(=O)Oc1ccc(C)c2c1[C@H]1CC[C@]3(C)[C@@H](OC(C)=O)CC[C@H]3[C@@H]1CC2 5539375 GPXCTBVDTQKXOZ-CPXOHJFISA-N 370.489 4.708 0 1 FJAF CCCC/C=C/[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 5781986 LJHPNCDMTWAWSV-LTSKSLEPSA-N 369.530 4.857 0 1 FJAF COCc1ccc(CN2CCOc3ccc(C4=CCCCC4)cc3C2)o1 11815596 VGXMCLFQIYGPNP-UHFFFAOYSA-N 353.462 4.778 0 1 FJAF CCCN(CCc1cccs1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741760 NATZFOMSDOBVCC-GOSISDBHSA-N 366.530 4.854 0 1 FJAF O=C1OC2(CCN(CCc3cccc4ccccc34)CC2)Cc2ccccc21 26736748 AROUGQIPMYQUEE-UHFFFAOYSA-N 371.480 4.630 0 1 FJAF O=C1c2cccc3cccc(c23)C1(Cc1ccccn1)Cc1ccccn1 27899759 LIQHNKKOGMPULV-UHFFFAOYSA-N 350.421 4.549 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 28527716 UOQUGIWUWKCTLJ-QXUYBEEESA-N 350.506 4.815 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C2 28528778 YWKNRYHANZDVCM-KGSLCBSSSA-N 350.506 4.815 0 1 FJAF CCC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1 28863807 IYYXLIZHVNLJEV-KPKJPENVSA-N 351.446 4.797 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181034 QBGBSHYEWZNLPW-AWEZNQCLSA-N 367.472 4.544 0 1 FJAF CC(C)CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 84690412 QHARLLLAWPVOBG-UHFFFAOYSA-N 353.853 4.678 0 1 FJAF Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2C1CCC1 202265502 GSDVBAWUNWUIHS-UHFFFAOYSA-N 370.456 4.985 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@H](CSCCc2ccccc2)[C@H]2CC[C@H]1O2 253819985 ZLEMKOGTMZQMLN-QLGQLBNXSA-N 374.546 4.957 0 1 FJAF COc1cc(OC)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587033414 UVISKOWOXKAJIB-UHFFFAOYSA-N 365.458 4.588 0 1 FJAF O=C(O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083152 IKZPGWXIVIVILL-UHFFFAOYSA-N 358.184 4.783 0 1 FJAF FC(F)(c1ccccn1)c1nc2cc(Br)cc(Cl)c2[nH]1 587089136 KSVXZJCKQWPTAD-UHFFFAOYSA-N 358.573 4.514 0 1 FJAF C[C@@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1C(F)(F)F 587096900 DUOBBRJJAVZVTQ-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(C(=O)C4CCCC4)cc1)[C@@H](C2)C3=O 587443511 AQNWUXRKTAGXQW-MBSDFSHPSA-N 362.425 4.557 0 1 FJAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615992 YIITVTGFWCIJRV-NQIIRXRSSA-N 366.438 4.893 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c(F)cccc2F)N1 587721702 QEYWSCRDBDIQRV-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@H]3CC[C@@H]2C3)N1 587819741 MWEOBJNUZVJZFV-HZKOEDQFSA-N 352.291 4.774 0 1 FJAF C[C@H]1C[C@@H]1c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831092 WAZAKTZHOBAKKX-YKWFYXENSA-N 364.258 4.928 0 1 FJAF COc1ccc2c(C)c([C@@]3(C)NCCc4cc(C)c(F)cc43)oc2c1OC 962150425 ZGRKHFFPLIUKJX-QFIPXVFZSA-N 369.436 4.615 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3cc(F)cc(F)c3C2)N1 962945634 JAJGFLMUGBCERD-OYHNWAKOSA-N 352.428 4.755 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(OC)c(NC(C)=O)c1 963235058 FOBZWXIEKCDHLB-HJPURHCSSA-N 366.505 4.574 0 1 FJAF OCc1ccc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)o1 1772652846 WRTVNNBCIHEHLT-UHFFFAOYSA-N 369.783 4.918 0 1 FJAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CCCO)CC1 2356349542 HLBPUFFLXMVORW-IVAOSVALSA-N 368.558 4.934 0 1 FJAF COC(=O)CC[C@@]12C3=CCC[C@@H]3CC[C@H]3CN[C@H]1[C@@H](C(C)C)CC[C@]32C 2356486545 WDKKUOYIQZUWGE-KDLOKWSHSA-N 359.554 4.717 0 1 FJAF CC(=CCc1c(C)cc(O)cc1O)CCC=C(C)CC[C@@H](O)C(C)(C)O 2356545772 ZKCYQOSNPGUGJL-OAQYLSRUSA-N 362.510 4.534 0 1 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2cccc3ccccc23)O1 95569458 JBXRZDALEHREMW-AUUYWEPGSA-N 366.486 4.807 0 3 FJAF COc1ccc(/C=C/c2nsc(/C=C/c3ccc(OC)cc3)n2)cc1 6010369 IBWHIMRWWXHIFU-FNCQTZNRSA-N 350.443 4.896 0 1 FJAF CN(C)C[C@H]1CCCC[C@@H]1[C@]1(O)c2ccccc2CSc2sccc21 6995948 YKADOOIFTVIBPM-KUDFPVQQSA-N 373.587 4.958 0 1 FJAF O=C(c1ccc(Br)cc1)N1CCC2(C=Cc3ccccc32)CC1 13728376 RRKFZMRPNFJRSP-UHFFFAOYSA-N 368.274 4.650 0 1 FJAF CC(C)N(C(=O)[C@H](C)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C 29415201 GLXJLFRNSUCJSN-MRXNPFEDSA-N 353.462 4.801 0 1 FJAF O=C(c1cc2cc(O)ccc2s1)N1CCC(Cc2ccccc2)CC1 35259636 WEANNBRWVBWFBD-UHFFFAOYSA-N 351.471 4.702 0 1 FJAF CCCC[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 38930484 WQHXUQNMTOLDDL-KRWDZBQOSA-N 356.249 4.908 0 1 FJAF Cc1cc(C)nc(N2C(=O)CS[C@@H]2CC23CC4CC(CC(C4)C2)C3)c1 40401738 FCYAHCQICPCEKI-LTUUKXNJSA-N 356.535 4.711 0 1 FJAF CCOC(=O)c1sc(Nc2ccc3c(c2)CCC3)nc1-c1ccncc1 45254636 FYWFAQZRCVMKHB-UHFFFAOYSA-N 365.458 4.614 0 1 FJAF CN(C)C1(Cc2ccccc2)CCC2(CC1)NCCc1c2[nH]c2ccccc12 114383760 XPOHRPISGJWNOS-UHFFFAOYSA-N 373.544 4.626 0 1 FJAF O=C(CCNC12CC3CC(CC(C3)C1)C2)c1cccc(Br)c1 169330330 CTKJHZIGMVBKSX-UHFFFAOYSA-N 362.311 4.580 0 1 FJAF COc1cc2ccc3c(c2cc1OC)CCc1cnn(-c2ccc(F)cc2)c1-3 169339082 KILQILYZDZNHHU-UHFFFAOYSA-N 374.415 4.947 0 1 FJAF Cc1nc2ccccn2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 219009268 NUPMFRPZTYUCQW-UHFFFAOYSA-N 369.472 4.591 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)C2 586884831 JJNCTTUEYMAJJO-GUBZILKMSA-N 370.758 4.754 0 1 FJAF CCCC(Br)(CCC)c1nc2ccc(C(=O)OC)cc2[nH]1 586970207 BUJIXWPYNVTJGW-UHFFFAOYSA-N 353.260 4.540 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3ccnc(SCC(F)(F)F)c3)nc12 587091273 HTMOPRZLWASDDB-UHFFFAOYSA-N 358.776 4.636 0 1 FJAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc3ncccc3c2[nH]1 587120752 FQSAPNPQVISDMC-UHFFFAOYSA-N 371.244 4.539 0 1 FJAF N[C@@H](Cc1nc2cccc(Br)c2[nH]1)c1cccc2ccccc12 587259010 PAGAQKPDZMAJGV-INIZCTEOSA-N 366.262 4.721 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C(F)(F)F)nc3ccccc13)O2 587383124 QQFCHWBLRKBGCL-KRWDZBQOSA-N 372.346 4.851 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1F)(c1ccccc1)[C@@H](C2)C3=O 587425225 ALNJQSKTONSPIE-CYFREDJKSA-N 374.411 4.720 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(C)ccc31)CC2=O 587481233 AVFGUVVYBNHVKM-JOCHJYFZSA-N 352.430 4.686 0 1 FJAF CCOC(=O)C[C@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522272 GWXIKTSYVMFQRT-QHCPKHFHSA-N 370.489 4.803 0 1 FJAF C[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557388 NEHCAZIGQSFBMW-NQIIRXRSSA-N 368.335 4.547 0 1 FJAF Cn1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576174 HZKPNDIPOAEMTF-OFNKIYASSA-N 371.392 4.587 0 1 FJAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587602034 IJBAFUUJWJDIBR-GQWLDOHISA-N 360.409 4.916 0 1 FJAF C[C@@H]1CCc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603761 PFBZTROZUWBAJI-YFMCZXFPSA-N 372.420 4.832 0 1 FJAF O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2ccc(F)c(Cl)c12 587632991 VBOOOXUHWYMBAZ-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587717955 LXHIDBZKOJYBIG-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ccccc23)N1 587777146 FNAXFQADWFNMNO-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827591 KZLKBRJMNULWKR-QRNKATFGSA-N 352.291 4.774 0 1 FJAF COc1ccccc1CC(=O)c1nc2c(Cl)cc(C(F)(F)F)cc2[nH]1 587930327 OCCRUMQKQQGYKD-UHFFFAOYSA-N 368.742 4.669 0 1 FJAF CC(=O)NCCc1ccc(O[C@H]2C=CCCC2)cc1-c1cccc(F)c1 653740480 UBHNDCKTYRVQEP-FQEVSTJZSA-N 353.437 4.659 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccc(OC)c(C(C)C)c1)N(C)[C@@H](C)C2 962636099 XWVXBHLHUANMHX-NPMXOYFQSA-N 369.505 4.802 0 1 FJAF CCSc1ccc([C@@]2(C)NCCc3cc4cccc(OC)c4nc32)cc1 963041763 YPFUFOWZFNYAAD-JOCHJYFZSA-N 364.514 4.765 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)c1cc(F)c(F)cc1Cl 963045456 FVNHAWCQGAHCIV-FQEVSTJZSA-N 374.818 4.584 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1cc(C)cc(F)c1 963227396 JFASNINSCIUYNX-UZUQRXQVSA-N 369.480 4.597 0 1 FJAF C=C(c1ccc(OC(F)(F)F)c(F)c1)c1cc(OC)c(OC)c(OC)c1 1857628885 XQJGITTTXQDBDJ-UHFFFAOYSA-N 372.314 4.812 0 1 FJAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356511205 BPNHQUDTVYQGKS-GBGLBQAQSA-N 360.494 4.583 0 1 FJAF Brc1ccc(OCCOc2nc3ccccc3s2)cc1 2382261638 ULWJVHLTBAMOOA-UHFFFAOYSA-N 350.237 4.517 0 1 FJAF CC[C@@H]1CCCCN1C(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C 2925953 SDDORHNSQLHCLA-OAHLLOKOSA-N 374.554 4.559 0 3 FJAF CCN(CCCCCNC(=O)/C=C/c1ccccc1)Cc1ccccc1 13738618 GUEIGSWUPBKQBS-WUKNDPDISA-N 350.506 4.508 0 1 FJAF Cc1ccc(Oc2cn(C)c(=O)c(Nc3ccc(Cl)cc3)n2)c(C)c1 28110814 XKTYFOXFQRIREG-UHFFFAOYSA-N 355.825 4.586 0 1 FJAF C[S@@](=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 28218544 KMTKGYIXHGZBLU-QFIPXVFZSA-N 351.258 4.788 0 1 FJAF CC(C)N1CCC[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 49088369 XVMSTDBLFRGHSD-SFHVURJKSA-N 351.469 4.812 0 1 FJAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CCCCC3)cc1 96923884 POXVGHAALJUZQL-UHFFFAOYSA-N 373.456 4.783 0 1 FJAF CC[C@H](COC(=O)NCc1ccccc1)Oc1cccc(C(F)(F)F)c1 103194100 JXZQDPLYRFIXOB-MRXNPFEDSA-N 367.367 4.789 0 1 FJAF CC1(C)[C@H](/C=C/Cl)[C@@H]1CC(=O)OCc1c(F)c(F)cc(F)c1F 103216080 UCZKEXJPWJCLOO-OKWQPMOJSA-N 350.739 4.701 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3ccc4c(c3)CCO4)nc(C)n2)c1 142194991 DSMORNXCERLSRU-AWEZNQCLSA-N 361.445 4.569 0 1 FJAF Cc1ccc([C@](C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1 202435239 BIHSEQOJWWXWOI-NRFANRHFSA-N 368.502 4.564 0 1 FJAF CN[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 217347674 YYZXRKLXYNZSDC-APYKUEBJSA-N 351.538 4.575 0 1 FJAF COc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587038573 ASFQSOIAWPWIMF-UHFFFAOYSA-N 358.488 4.629 0 1 FJAF O=C(O)c1cc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2cc1F 587053581 FVFIYCHTCMTLOD-SNAWJCMRSA-N 351.164 4.877 0 1 FJAF Cc1cc(Cl)ccc1OCCCc1nc2c(F)cnc(Cl)c2[nH]1 587067153 VXQQIPGKBQZDJW-UHFFFAOYSA-N 354.212 4.724 0 1 FJAF CCOC(=O)[C@H]1C[C@@H](c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587213019 XAKPHMDCEMSGBE-PXNSSMCTSA-N 357.453 4.710 0 1 FJAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC 587439503 BDODZGMAVGIVSD-VGSWGCGISA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(C)cc1)CC2=O 587486807 ULELRNWJXNOCTK-HXUWFJFHSA-N 362.429 4.750 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cncc3ccccc23)N1 587777284 GNRCPOCYRCFTCL-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826983 HQWAILSOBGPTJF-BTDLBPIBSA-N 352.247 4.541 0 1 FJAF CC[C@]1(Cc2nc3ccc4ncccc4c3[nH]2)CC(=O)c2ccccc2C1 587960928 OISSLAICWACRPZ-HSZRJFAPSA-N 355.441 4.879 0 1 FJAF Cc1nc(-c2cccnc2)sc1-c1nnc(-c2ccc(Cl)cc2)o1 653867859 ZEMHYDMFLAZINN-UHFFFAOYSA-N 354.822 4.884 0 1 FJAF CCCOc1c(OCC)cccc1[C@@H]1N[C@H]2CC[C@@H]2c2ccc(OC)cc21 962996992 PVACZFXESXNNIT-AGHHOFFYSA-N 367.489 4.821 0 1 FJAF Cc1ccc(Nc2nc(C)c([C@]3(C)NCCc4c(C)ccnc43)s2)cc1 963073520 QMZNREPOVKXYGC-OAQYLSRUSA-N 364.518 4.616 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@@H]1[C@H]1CCCCCN1 963115330 VWRVSQUQTYFXMP-IZBOUPIGSA-N 356.529 4.764 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@H]1[C@H]1CCCCCN1 963115334 VWRVSQUQTYFXMP-SNJCGAMXSA-N 356.529 4.764 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc4cnccc4c3)nc2c1 1911578681 ZWDKFJHUHPERRH-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CCCC=CCCCCCCCCCC[C@]1(C)OC(=O)[C@H](CO)[C@@H]1O 2356462273 MAPUWVOKJMDGSL-DYXWJJEUSA-N 354.531 4.529 0 1 FJAF CSc1ccc(CN2C(=O)[C@@H](C)Sc3ccc(C(C)=O)cc32)cc1 61907028 MIBODMDGTRLJFA-CYBMUJFWSA-N 357.500 4.639 0 3 FJAF CCCNC(=O)OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21 13491308 SKHDFAYJEGIIBI-UHFFFAOYSA-N 360.413 4.832 0 1 FJAF CCOC(=O)c1c(-c2ccccc2)c(OC(C)=O)c2ccccc2c1OC 27878876 JHLYISLDHANMNW-UHFFFAOYSA-N 364.397 4.617 0 1 FJAF Cc1c2c(c(CCCCCC(=O)O)c3c1Oc1ccccc1O3)C(=O)OC2 35090781 KVAANFJPBXDNOH-UHFFFAOYSA-N 368.385 4.751 0 1 FJAF C[C@]1(c2cccc(Br)c2)ON=C(c2cccc(Cl)c2)O1 40835609 IJWYXWBOZMLPQC-OAHLLOKOSA-N 352.615 4.684 0 1 FJAF CN1CC[C@@]2(Cc3ccccc3)c3ccccc3N(Cc3ccccc3)[C@H]12 40835643 UYRHGHRUYWENSS-LOSJGSFVSA-N 354.497 4.849 0 1 FJAF CN1CCc2cc(Br)c(O)cc2[C@H]1Cc1ccccc1Cl 45301990 DNBNCVBHGFCTMA-MRXNPFEDSA-N 366.686 4.580 0 1 FJAF Cn1c(-c2cccc(C(F)(F)F)c2)cc2onc(-c3ccccc3)c2c1=O 45349959 LSWFLNNWMCGJGL-UHFFFAOYSA-N 370.330 4.879 0 1 FJAF O=C(/C=C/c1ccccc1)n1ccc2cc(I)ccc21 72118548 BYGZFMHGQICMIH-RMKNXTFCSA-N 373.193 4.600 0 1 FJAF C[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1ccc(Cl)cc1 72118847 CZNACOZGQNSJNC-JTQLQIEISA-N 353.775 4.777 0 1 FJAF O=C1[C@@H](c2ccccc2)C[C@H](c2ccccc2)C(=O)N1Cc1ccccc1 73198968 TZOWOAQYYKFDQY-FGZHOGPDSA-N 355.437 4.513 0 1 FJAF CCCCN[C@@H](c1ccc(O)cc1)[C@H](NCCCC)c1ccc(O)cc1 84835289 DKBDIHXAMHKFKL-SZPZYZBQSA-N 356.510 4.660 0 1 FJAF CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CC)CC1)=N2 101761057 OODKZSFMFWCVQT-UHFFFAOYSA-N 359.517 4.556 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2cc[nH]c2c1 142594813 HLKLLLHUYUFOFH-NSHDSACASA-N 363.244 4.558 0 1 FJAF O=C(CCCN1[C@H]2CC[C@H]1c1c([nH]c3ccc(F)cc13)C2)c1ccco1 194984050 HMWCSFUVGFNRSK-KSSFIOAISA-N 352.409 4.625 0 1 FJAF COC(=O)c1cccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c12 587013490 YCCVIQMLYJHCSL-UHFFFAOYSA-N 363.442 4.757 0 1 FJAF Oc1nc2cc3nc(-c4csc(-c5ccc(Cl)cc5)n4)[nH]c3cc2[nH]1 587015993 MOVBKRNBIWAUAS-UHFFFAOYSA-N 367.821 4.589 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3cc(C)c(C)cc3[nH]2)[C@@H]1c1ccccc1Cl 587061635 OYWQCUQTVLCEIJ-QRWLVFNGSA-N 367.880 4.910 0 1 FJAF C[C@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171871 BVCVJXYQNWLVDW-QGZVFWFLSA-N 365.191 4.637 0 1 FJAF CSc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225879 YUWTVBGDGAPBJA-FQEVSTJZSA-N 373.481 4.804 0 1 FJAF COC(=O)c1cccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c12 587241156 WCSQWWCHKYEXOV-UHFFFAOYSA-N 373.412 4.769 0 1 FJAF CC[C@@H](C)CN(C)c1ccc(F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386953 YGJRQJMIEOYHRQ-LRTDBIEQSA-N 370.468 4.905 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccccc4)ccc1OC)[C@@H](C2)C3=O 587444044 RJAPGKSRYUARRQ-CYFREDJKSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1cccc(OC)c1)(C1CC1)CC2=O 587475513 AFLJJZRINJFAJM-HSZRJFAPSA-N 366.457 4.710 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(S)c(OC)c1)CC2=O 587494977 ZJZNFBRDMUSGQG-HXUWFJFHSA-N 358.459 4.523 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(Cl)=COc1cc(O)ccc12 587496913 CHUFUIIBJGAMDA-OAQYLSRUSA-N 368.816 4.604 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2N=O 587505393 MALGNQQUAFEIHQ-JCXROGDPSA-N 353.462 4.861 0 1 FJAF C[C@@]1(c2cc(Br)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587507040 ZYYZYROESGZGLA-IBGZPJMESA-N 372.262 4.604 0 1 FJAF Cc1cc(C)n([C@@H]2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)n1 587515676 OAKWAVNPWLGRRA-WZONZLPQSA-N 364.489 4.898 0 1 FJAF Cc1cc2occ([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2cc1C 587529635 BTEVSCVEUGSQQP-JOCHJYFZSA-N 374.436 4.995 0 1 FJAF O=C1C[C@]2(CCc3nc(Cl)sc3C2)Oc2c1ccc1c2CCCC1 587535124 IJUSWSOGTHSVLG-IBGZPJMESA-N 359.878 4.568 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1CC21CCOCC1 587535806 OAUWJXVCJZRDDY-VWLOTQADSA-N 374.480 4.779 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Cl 587611641 HHXHIMNHQDSGJB-PBHICJAKSA-N 358.802 4.810 0 1 FJAF CSCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587613012 MEPWRRKZZVMSJA-YLJYHZDGSA-N 368.410 4.551 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726175 VTTVAWGCTTXPMA-BBATYDOGSA-N 366.249 4.833 0 1 FJAF CCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816693 ZZOLORJZTQSKOT-BLVKFPJESA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2C2CC2)N1 587853082 KRYLPXSTJNDMSD-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF CC(C)c1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856755 XREVHYAGNHVDJK-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(C)c(C)c1 587872482 LTLOABLPWZSHPD-UHFFFAOYSA-N 369.465 4.950 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@H](c2csc3ccccc23)N1)C(F)(F)F 962763296 JZMABGMCZBDUJT-NVXWUHKLSA-N 361.388 4.636 0 1 FJAF Cc1ccc(Oc2ccc([C@H]3NCCc4c3c(C(C)C)nn4C)cc2)cc1 962912967 PWSJZZWXMIIZCO-HSZRJFAPSA-N 361.489 4.879 0 1 FJAF C[C@H]1CCc2c(sc3ncnc(Nc4ccc5nc(O)sc5c4)c23)C1 1772636175 WTJIKKXGOKCUMG-VIFPVBQESA-N 368.487 4.875 0 1 FJAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)N(C)C=O)=CC[C@H]32)C1 2356542134 UWFDYAWULNEXBD-ULMUWWLMSA-N 371.565 4.977 0 1 FJAF COC(=O)C[C@H](C)CC[C@@H]1C(C(=O)OC)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356659548 IKUWKCBEPBSPCP-UVLLPENVSA-N 364.526 4.918 0 1 FJAF O=C(O)[C@@H](CC=CCCCCCCCC[C@H]1C=C(CO)CC1)CCCO 2356763825 UBGUJVICJUKELH-CTNGQTDRSA-N 366.542 4.856 0 1 FJAF CC(C)(C)OC(=O)N1C(C2=COc3ccccc3O2)=COc2ccccc21 1661584 ZYEQQXPVBVLSCZ-UHFFFAOYSA-N 365.385 4.975 0 1 FJAF COc1cccc2c1-c1ccc3c(c1[C@H](CCO)O2)C(C)=CC(C)(C)N3 13470757 FYMNMBTVULTQNM-SFHVURJKSA-N 351.446 4.786 0 1 FJAF CC(C)(C)c1cc(NC(=O)NCCc2ccccc2)n(-c2ccccc2)n1 13474650 BHMOXCCTQPBFHP-UHFFFAOYSA-N 362.477 4.534 0 1 FJAF Cc1ccc(Nc2cc3c(cc2Nc2ccc(C)cc2)C(=O)NC3=O)cc1 13735546 KSZXNFIEZNOXCC-UHFFFAOYSA-N 357.413 4.674 0 1 FJAF in-vivo CCCC[C@@H](C)OC(=O)c1cc(CO)cc(C(=O)O[C@H](C)CCCC)c1 40972577 PPYAACOSKDYFTQ-HZPDHXFCSA-N 364.482 4.650 0 1 FJAF Cc1ccc2c(c1)C(C)(C)[C@H]1COc3ccc4c(=O)c(C)coc4c3[C@H]1N2 49047930 BYBURYNRFOKJOE-JXFKEZNVSA-N 361.441 4.863 0 1 FJAF COCCN(Cc1coc(-c2ccc(Cl)cc2Cl)n1)C(C)(C)C 72186030 NPLUSLRJJMKMCC-UHFFFAOYSA-N 357.281 4.895 0 1 FJAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccc(Cl)cc1 73389098 ILYBXOLSEDUOAK-HXUWFJFHSA-N 350.805 4.732 0 1 FJAF Cc1n[nH]c(C(=O)O)c1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1 95552240 GYFYONHESWNJDE-UHFFFAOYSA-N 360.335 4.693 0 1 FJAF COc1ccc(-c2sc(C)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 95563682 JSHNTYSZOQYZPH-UHFFFAOYSA-N 371.458 4.820 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1cccc2ccccc12 142147999 DYPRPXRVKDWJRO-AWEZNQCLSA-N 362.433 4.538 0 1 FJAF Oc1ccc2c(c1)[C@]1(CCCc3ccccc3)CCN(CC3CC3)C[C@@H]1O2 299866724 WLAXOBRBFRAGSH-ZEQRLZLVSA-N 363.501 4.530 0 1 FJAF CCCC1(c2nc3cc(C(=O)OCC)cc(Br)c3[nH]2)CCC1 586877582 FNSRVCSZZABHMV-UHFFFAOYSA-N 365.271 4.724 0 1 FJAF OCc1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)cc1 586895441 HKGDFRWWXUBQOB-UHFFFAOYSA-N 360.257 4.760 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2ccc(C(C)(C)C)nc2[nH]1 586980588 BFUHQZSYLMLASK-UHFFFAOYSA-N 374.282 4.905 0 1 FJAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)nc1 587096053 CSBWMQWFUCIHEU-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF CCOc1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)ccc1OC(F)F 587129942 HPDKHPCOASHAQL-XQRVVYSFSA-N 365.767 4.782 0 1 FJAF COc1cccc(-c2cc(C3(C(=O)O)CC3)nc3c2oc2ccccc23)c1 587365208 DOPQBQRSHCXYCA-UHFFFAOYSA-N 359.381 4.773 0 1 FJAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 587376080 OMGITMJLXVAZJK-QUCCMNQESA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)c(C)c1)O2 587376564 JJFYJVDXUSWOHL-GOSISDBHSA-N 360.251 4.529 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3ccc(Cl)cc31)CC2=O 587460824 IMBFMERZQQQUCO-FQEVSTJZSA-N 358.821 4.641 0 1 FJAF O=C1C[C@]2(CCCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587502064 SPCKEVYDYDNKSO-NRFANRHFSA-N 353.849 4.811 0 1 FJAF Cc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1CO 587529049 IHFURIAPIPJXTR-OAQYLSRUSA-N 350.458 4.689 0 1 FJAF CC[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604156 UQIVKXRFBILDFN-CGYQNGNCSA-N 360.409 4.916 0 1 FJAF CSc1ccccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587610013 BDQFZRKILWNQFE-WIYYLYMNSA-N 364.422 4.817 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3ccc(F)c(Cl)c23)c1C 587628799 AMZFJTMRWGMQNP-UHFFFAOYSA-N 355.747 4.654 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1 587643287 STBPLRDFQPUSPO-PIGZYNQJSA-N 360.454 4.640 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)cc(Cl)c2)N1 587705848 ZRKIXLZDAYSNIF-VPTHRUTESA-N 370.649 4.571 0 1 FJAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587825550 APGWJYBCYHMTQD-DYZYQPBXSA-N 352.247 4.757 0 1 FJAF O=C(n1nc2cc1Oc1ccc(F)cc1-2)C1(c2ccc(Cl)cc2)CC1 587873697 HJOZJDMFBATPON-UHFFFAOYSA-N 354.768 4.820 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc3nc(C)ccc3c2[nH]1 587926566 IWWNNYJCGZZOAQ-HNNXBMFYSA-N 361.445 4.979 0 1 FJAF CCOP(=O)(C[C@]1(C)NCCc2cccc(-c3ccccc3)c21)OCC 962664582 JZXIRLRTPKIOMD-NRFANRHFSA-N 373.433 4.981 0 1 FJAF Oc1ccc2c(c1)[C@@](c1ccc(Br)cc1)(C1CCCC1)NCC2 963329408 NVJQFHHNONAZSE-FQEVSTJZSA-N 372.306 4.734 0 1 FJAF CCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(C(=O)OC)c1C 1857575052 LMFJEFWVETVREV-UHFFFAOYSA-N 361.507 4.560 0 1 FJAF COc1ccc(Nc2nc(C)cc(-c3cc(-c4ccccc4)on3)n2)cc1 12510153 IYZMAHJTPCZKRX-UHFFFAOYSA-N 358.401 4.859 0 3 FJAF C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2cccc(Cl)c2)=NO1 13478342 LJFYJVFBUMLJCG-SFHVURJKSA-N 357.772 4.569 0 3 FJAF O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)NCc1ccco1 2718355 YKNQUBOCQZGYPG-UHFFFAOYSA-N 362.454 4.836 0 1 FJAF CC[C@@H](C)C[C@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C 14587328 PBQNIVCBQWLBLF-MLGOLLRUSA-N 355.438 4.560 0 1 FJAF biogenic Nc1scc(-c2cccc(Br)c2)c1C(=O)c1ccccc1 43018651 LOQBCDXNFWQVOB-UHFFFAOYSA-N 358.260 4.991 0 1 FJAF COc1ccc(NCc2coc(-c3ccc(OC(F)(F)F)cc3)n2)cc1 72185022 VFKMMEZNMXZGAG-UHFFFAOYSA-N 364.323 4.861 0 1 FJAF c1ccc([C@@H]2CCCc3sc(Nc4ccc(-n5cncn5)cc4)nc32)cc1 73388729 QVXKOSZHSRZAMP-SFHVURJKSA-N 373.485 4.936 0 1 FJAF O=C(CCCCCCCCCCCC[C@H]1C=CCC1)OC[C@@H](O)CO 95559902 ZWEBYMYJDLNXNN-PMACEKPBSA-N 354.531 4.530 0 1 FJAF biogenic O=C1CCc2cc([C@H](c3cccnc3)c3cccc(Cl)c3)cc3c2N1CC3 95596154 CSLHEZWDQXNXJA-QFIPXVFZSA-N 374.871 4.751 0 1 FJAF COC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccsc4)s1)CN32 101028666 CBNNPWOODQAMIN-XKOUUANESA-N 371.527 4.516 0 1 FJAF COc1cc(-c2ccccc2)ccc1-c1nc2c(C(=O)O)cc(C)cc2[nH]1 113981728 PMOVQFKXGQTFNI-UHFFFAOYSA-N 358.397 4.912 0 1 FJAF CCOC(=O)C1=C(C)NC(c2ccc(Cl)cc2)=C[C@H]1c1ccccc1 169322822 BWRLTXMPYHAFDY-SFHVURJKSA-N 353.849 4.905 0 1 FJAF CC1=CCC/C(C)=C/[C@@H](O)[C@H](C(C)C)[C@H](OC(=O)c2ccc(O)cc2)C1 299843954 XUVXBQLHPFQADG-XDFKPVHNSA-N 358.478 4.627 0 1 FJAF CC[C@H]1OCCC[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586908669 CORFVWIEDADUME-IAQYHMDHSA-N 367.287 4.785 0 1 FJAF Cc1c(Br)ccc2nc(-c3cccc4c3OCC4(C)C)[nH]c12 586912481 TVJMZJDBLJZPCT-UHFFFAOYSA-N 357.251 4.971 0 1 FJAF Cc1ncc(-c2nc3cnc4ccccc4c3[nH]2)c(C)c1Br 586979820 WEMPMGKFLCMYPG-UHFFFAOYSA-N 353.223 4.552 0 1 FJAF Nc1ccc(-c2nc3cccc(OC(F)(F)F)c3[nH]2)c(C(F)(F)F)c1 587095550 JYLAGTCDPXMUHF-UHFFFAOYSA-N 361.245 4.730 0 1 FJAF O=C(Nc1cccc(-c2nc3cc(F)c(F)cc3[nH]2)c1)c1ccc(F)cc1 587162701 IATKRMYWBJAASZ-UHFFFAOYSA-N 367.330 4.900 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(F)c(O)c(F)c1)CC2=O 587466900 QCEYWTRYFCOSBR-FQEVSTJZSA-N 362.372 4.599 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500155 MFGZCLUDSZDESS-KRWDZBQOSA-N 358.869 4.840 0 1 FJAF O=C(O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587505755 LJRFHSDQJXUQOB-GOSISDBHSA-N 356.805 4.624 0 1 FJAF CCc1nc2c(s1)[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587535340 KFQXHQMSPAZDET-NRFANRHFSA-N 353.487 4.781 0 1 FJAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1OC(=O)c1ccccc1F 587637675 NHAVOPUGIVGZGV-UHFFFAOYSA-N 355.365 4.522 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CC3)s2)N1 587852608 HPRNVOFTGRMRQW-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF Cc1csc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)c1 962645154 SDPABCCQDXOGGX-NFBKMPQASA-N 360.526 4.893 0 1 FJAF O=c1oc2ccccc2c(Cl)c1[C@@H]1c2c(F)cccc2C[C@@H]2CCCN21 963093475 BTXGYYMBKRPBJB-RBZFPXEDSA-N 369.823 4.695 0 1 FJAF Cc1c(-c2ccc(N3CCC[C@@H](F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772634667 PUGDKAKWFMEYTM-CQSZACIVSA-N 372.390 4.720 0 1 FJAF Clc1cccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)c1 1857773029 NOSWREMGTGWHAH-UHFFFAOYSA-N 366.892 4.694 0 1 FJAF CCCN1Cc2c(ccc3c2OCO3)-c2ccc3cc4c(cc3c21)OCO4 2382222650 AATKEMTZOIYBEF-UHFFFAOYSA-N 361.397 4.694 0 1 FJAF CC(=O)SCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947047 IHMMUJMBXWPHDJ-GKJHBJHPSA-N 372.530 4.657 0 1 FJAF O=C(O)CCCCC[S@@](=O)c1ccc(CCCc2ccccc2)s1 26946084 HNMHTJRXMDQBTH-DEOSSOPVSA-N 364.532 4.676 0 1 FJAF CCOc1ccc(-c2[nH]c3nc(N)ccc3c2-c2ccncc2)cc1Cl 27073888 WDMJITFYAJRAJW-UHFFFAOYSA-N 364.836 4.926 0 1 FJAF N[C@@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 27523436 UYZIPLMTFSGKAJ-HNNXBMFYSA-N 363.301 4.941 0 1 FJAF CC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 28863162 TWABYZAIMLYBQR-PAZWHPHWSA-N 363.501 4.600 0 1 FJAF O=C(CCCCCCc1ccccc1)c1nc(C(=O)C(F)(F)F)co1 40863865 FUTOJBWXHHVYGB-UHFFFAOYSA-N 353.340 4.796 0 1 FJAF COc1ccccc1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 66104873 FUJNGUAYJFJSQA-UHFFFAOYSA-N 362.425 4.958 0 1 FJAF O=C1CCN(CCc2ccccc2)C[C@@H]1C(c1ccccc1)c1ccccc1 72111349 JOKIEPRIIDTXDN-DEOSSOPVSA-N 369.508 4.952 0 1 FJAF CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-c4cccnc4)ccc3n2)cc1 95560159 HRYXZJRQXNMUTE-UHFFFAOYSA-N 370.456 4.946 0 1 FJAF Cc1c(-c2ccccc2)nc(-c2nc(C(=O)O)cs2)n1-c1ccccc1 96938278 YWYODXZYUGHQEV-UHFFFAOYSA-N 361.426 4.669 0 1 FJAF CCN(CC)C[C@H]1C[C@@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 101430632 TXNFYPIAXHMYBE-YRNRMSPPSA-N 357.929 4.835 0 1 FJAF CCCC[C@H](CC)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147124802 OIQPCFHRGUSHSO-HGGRIVQESA-N 364.526 4.916 0 1 FJAF O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CCCCc2ncsc21 220887145 UKDJFJRKJZQHKN-LBPRGKRZSA-N 355.290 4.576 0 1 FJAF CC(C)(C)c1cccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c12 587074966 CFURVMICJKROCK-UHFFFAOYSA-N 351.841 4.762 0 1 FJAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc(Cl)cc2[nH]1 587120541 NVDWQNXHKRAJIP-UHFFFAOYSA-N 354.641 4.644 0 1 FJAF CC(C)(C)CC(=O)Nc1cccc(-c2nc3c(F)cnc(Cl)c3[nH]2)c1 587242069 MJPUWAWQYGBVHC-UHFFFAOYSA-N 360.820 4.792 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Br)[nH]c3ccccc13)O2 587372895 NLJTUMBEMURWLO-OAHLLOKOSA-N 371.234 4.528 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCSc3c(F)cccc31)CC2=O 587473288 ZNWCZZHFZWCTEC-HXUWFJFHSA-N 358.434 4.840 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ccc(C)cc3nc1O)CC2=O 587489371 LMVONNOSUPPJCR-HXUWFJFHSA-N 363.413 4.613 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1csc(Br)c1)CC2=O 587496375 WVMWUOANTAXVJT-CQSZACIVSA-N 367.264 4.875 0 1 FJAF O=C1C[C@@H](c2cnc(-c3ccccc3)nc2)Oc2c1ccc1c2CCCC1 587514837 KIXGTSCMBBEOOF-NRFANRHFSA-N 356.425 4.729 0 1 FJAF CN(C)Cc1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531057 IXUNGWQTJDXAOP-OAQYLSRUSA-N 355.503 4.569 0 1 FJAF Cc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587725611 FKYRMZDOTGGWRH-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 587778531 OUUYYXWVWVKSJA-UHFFFAOYSA-N 366.339 4.926 0 1 FJAF C(=C/c1cccc2ccccc12)\c1nc2ccc(CN3CCOCC3)cc2[nH]1 587966751 CVNXXHDQJRCMEV-PKNBQFBNSA-N 369.468 4.719 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)c(Cl)nc3[nH]2)CC1 587970632 LXSWPDDUQCYHQU-UHFFFAOYSA-N 360.244 4.694 0 1 FJAF O=C(NC(c1ccccc1)c1ccccc1)c1coc(-c2ccccc2O)n1 653749406 RNXVROFZQIRSND-UHFFFAOYSA-N 370.408 4.567 0 1 FJAF Cc1ccc2oc(=O)c(-c3cccc(OC(=O)c4ccccc4)c3)cc2c1 653758627 FIDBVTFKNCCSFL-UHFFFAOYSA-N 356.377 4.988 0 1 FJAF CCc1c(C)[nH]c([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)c1C 961326944 SKRRHZQBRZUXMH-GOSISDBHSA-N 359.311 4.724 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccnc(-c3cccnc3)c2)N1 962953792 WGZSZSXQVJGAKA-VGOFRKELSA-N 354.457 4.639 0 1 FJAF Oc1ccc(-c2ccc3c(-c4ccc(N5CCCCC5)cc4)n[nH]c3n2)cc1 1857545273 FJYQWSLNELXTIR-UHFFFAOYSA-N 370.456 4.988 0 1 FJAF COc1ccc(-c2c3c(nc4nc(N5CCCC5)sc24)CCCC3)cc1 1857608793 JMGSCAHMIPXOLL-UHFFFAOYSA-N 365.502 4.846 0 1 FJAF CC[C@@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1cccs1)Cc1cccs1 2356622818 MYOIPDGUFFUSBD-FGTMMUONSA-N 360.592 4.932 0 1 FJAF CCCCCC=CCCCCCCCCCCC(=O)OC[C@H](O)CO 2356629824 RNIUPZYYTVVUNU-HXUWFJFHSA-N 356.547 4.920 0 1 FJAF CCCN1CCCC[C@H]1[C@H]1COC(c2ccccc2)(c2ccccc2)O1 13453499 SGYJTKIAYWMWOV-FCHUYYIVSA-N 351.490 4.568 0 1 FJAF Fc1ccc(-c2ncn(CCCN3CCCCC3)c2-c2ccncc2)cc1 13758992 VXPXIUXUARYSEH-UHFFFAOYSA-N 364.468 4.627 0 1 FJAF Oc1ncnc2nc(-c3ccccc3Cl)c(-c3ccccc3Cl)nc12 28346405 WAEBYXJVNNZMOX-UHFFFAOYSA-N 369.211 4.766 0 1 FJAF Cc1ccc([C@H]2C[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)N(C)O2)cc1 29570641 PVSGWGTXWGYMKX-NHCUHLMSSA-N 367.880 4.749 0 1 FJAF COc1ccc(C(=O)c2c(/C=C(\C)N(C)C)oc3ccc(OC)cc23)cc1 33708576 RGHHSBJJLUCQFX-WYMLVPIESA-N 365.429 4.603 0 1 FJAF Cc1ccccc1[C@H](OC[C@H](O)CN1[C@@H](C)CCC[C@H]1C)c1ccccc1 40506206 BWNMYDFFSCWUHU-DAVFGYKESA-N 367.533 4.725 0 1 FJAF Cc1c2c(nn1-c1ccccc1)[C@@H](c1ccccc1)N(c1ccccc1)C2=O 45302270 VMEOTDOTDMGYLX-HSZRJFAPSA-N 365.436 4.931 0 1 FJAF C[C@H](Oc1cc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl 72178545 VTOQQRYPFKINSB-QMMMGPOBSA-N 367.211 4.640 0 1 FJAF Cc1ccc(NC(=O)c2ccc(C)c(NC(=O)/C=C/c3cccnc3)c2)cc1 84688752 HJZNCKSTTPAPDK-XYOKQWHBSA-N 371.440 4.603 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1cccnc1)[C@@H]2O 299869959 FCVLVYMOBDNAMK-KONLXICXSA-N 361.485 4.698 0 1 FJAF in-vivo O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(F)F)C3 586987430 WBXGWRRUTDNBQX-JTQLQIEISA-N 351.352 4.522 0 1 FJAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(N)ncnc2[nH]1 587070907 INBNRGKCWIOXEQ-XZKMQQEGSA-N 374.275 4.608 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587213021 XAKPHMDCEMSGBE-YLJYHZDGSA-N 357.453 4.710 0 1 FJAF CC[C@@]1(/C(C)=C/OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353675 RQYNKIMCDOTDJW-HJBLQDPUSA-N 356.393 4.589 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnc(Cl)c(Cl)c1)CC2=O 587463301 WGKJVYGKJYSRGC-SFHVURJKSA-N 366.244 4.927 0 1 FJAF COc1c(F)cccc1CC[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503558 HQMXFLVAJHTEQK-INIZCTEOSA-N 354.421 4.680 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]ccc2c1 587592912 ZFBJLTSRPQHORF-SIKLNZKXSA-N 357.365 4.576 0 1 FJAF COc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)c(OC)c1 587627432 VZYYBKWKSSTHNG-UHFFFAOYSA-N 358.825 4.708 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)cc(Cl)c2)N1 587705846 ZRKIXLZDAYSNIF-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587804544 BSIYMIBUTNXWAG-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF COC1([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCCC1 587807438 CKRMOAJCWJQVEG-MEDUHNTESA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccsc2)N1 587854107 PUKKRQRUADKPJA-MGPLVRAMSA-N 354.288 4.642 0 1 FJAF CC(F)(F)c1nn2cc(-c3nc4c(Cl)cccc4s3)nc2s1 653671265 DWQPGBNZBRJNKC-UHFFFAOYSA-N 356.810 4.833 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1sc(NC(C)(C)C)nc1Cl)NCC2 962299420 NLNBNPHZCYOTSF-ZDUSSCGKSA-N 353.894 4.690 0 1 FJAF COc1cccc2cc3c(nc12)[C@@H](c1oc2ccc(C)cc2c1C)NCC3 963067002 MMKHIGSHLYRNGP-QFIPXVFZSA-N 358.441 4.842 0 1 FJAF COc1ccc2c(c1)[C@H](c1nc(C)oc1C)N(Cc1ccc(F)cc1)CC2 963304193 SATNPWJSFROFOS-JOCHJYFZSA-N 366.436 4.587 0 1 FJAF Clc1ccc([C@@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)cc1 1857556889 QECONAGVAZCSDA-FQEVSTJZSA-N 358.832 4.794 0 1 FJAF COC(=O)CCNC(=O)[C@@H]1CC=C(CCC=C(C)C)C[C@H]1c1ccccc1 1911584088 UMOKNTQMINGARC-RTWAWAEBSA-N 369.505 4.532 0 1 FJAF CC(=O)c1ccc2c(c1)C[C@]1(O2)[C@H](C)CC[C@@H](OC(=O)C=C(C)C)C1(C)C 2356397339 AXJLAMRDMMTQFT-OFSQETHSSA-N 370.489 4.897 0 1 FJAF CC(=O)O[C@@]1(C)CC[C@H](O)[C@@]2(C)CCC(C(C)C)=CC=C(C)CC[C@H]1O2 2356790378 FMVZGYMVZQDYSU-CBPXPLCBSA-N 364.526 4.710 0 1 FJAF CCC/C(=C1/c2ccccc2C(=O)N1c1ccccc1)c1cnc(OC)nc1 61969083 VXFMOGCFIGEVGW-DYTRJAOYSA-N 371.440 4.814 0 3 FJAF CSc1ccccc1NC(=O)C(C)(C)n1cc(-c2ccccc2C)cn1 74387477 AHQKYNLJSRGJDT-UHFFFAOYSA-N 365.502 4.954 0 3 FJAF COc1ccc(Cc2oc3c(Cl)cc(CCC(=O)O)c(O)c3c2C)cc1 3800401 SEFPUCATDWALSF-UHFFFAOYSA-N 374.820 4.717 0 1 FJAF CCCCNc1nnc(C)c2c(C)n(-c3ccc(OCC)cc3)c(C)c12 28569422 OSYBBWAMBPTLDW-UHFFFAOYSA-N 352.482 4.956 0 1 FJAF CCCCCCOc1ccc(C(=O)CCN(C)C)c(Br)c1 43024703 LZOVXMFTOXYNNG-UHFFFAOYSA-N 356.304 4.543 0 1 FJAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1[nH]c1ccccc12 45365748 YUVUJESWVOCRJK-UHFFFAOYSA-N 352.397 4.759 0 1 FJAF CC(=O)OCC1=CCC[C@@H]2[C@@](C)(CCC3=CCOC3=O)[C@H](C)CC[C@@]12C 85841824 HDXWELYONRXJIT-VVBCARDSSA-N 360.494 4.592 0 1 FJAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(OC)c1 100705788 KUZTWJGTJSNLNX-UHFFFAOYSA-N 365.458 4.742 0 1 FJAF CC(C)[C@H]1[C@@H]2CC[C@H]1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12 113680502 XTDZGXBTXBEZDN-IOASZLSFSA-N 359.420 4.857 0 1 FJAF in-vitro O=C1CC/C=C/COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)N1 114658097 XDZQOHWIPBUZJT-HNQUOIGGSA-N 372.428 4.555 0 1 FJAF CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2)c2ccccc2n1 169347409 DIZGLSXHGRAWED-UHFFFAOYSA-N 353.425 4.569 0 1 FJAF Cc1nc2cnccc2n1-c1ccc(C2=Nc3ccccc3C(=O)CC2)cc1 169713863 ILXDAZCNXHINFD-UHFFFAOYSA-N 366.424 4.826 0 1 FJAF C[C@H]1CC[C@H](NCc2ccc3c(c2)Cc2c(-c4ccc(N)cc4)n[nH]c2-3)CC1 253680417 ZIVSIJBGXUGLSL-SGNKCFNYSA-N 372.516 4.898 0 1 FJAF CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccccc1 299859780 IJDOWHOPKTVVQU-WCWDXBQESA-N 358.485 4.975 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4ccc(Br)nc4[nH]3)c2)cc1 586898017 DZYFUMLHNAJOTR-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF N[C@@H](N=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016200 ROLQUIXIHZQAEY-HNNXBMFYSA-N 369.837 4.731 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(OC(F)(F)F)c3[nH]2)cs1 587020689 DARXTNMPOIHPPN-UHFFFAOYSA-N 364.352 4.889 0 1 FJAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)c(Cl)nc4[nH]3)ON2)cc1 587077269 TYXKYKGGBCIURM-LBPRGKRZSA-N 367.623 4.535 0 1 FJAF Cc1nn(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)c1Cl 587103430 HOPRTWBFXBESFB-UHFFFAOYSA-N 373.843 4.961 0 1 FJAF Fc1cc(Br)cc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130052 DCWOWRHRSYBCHD-UHFFFAOYSA-N 357.129 4.733 0 1 FJAF Cc1cc(C)c([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587349596 VGGAAPSZWYQKQB-KNQAVFIVSA-N 365.404 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4cccnc4)c(C)c1)[C@@H](C2)C3=O 587436553 QXQKMYBZGMZXNA-FDDCHVKYSA-N 373.408 4.680 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C3CC3)nc3sccn13)CC2=O 587499217 LMXAAUKZGHSBEC-MRXNPFEDSA-N 368.458 4.638 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)c(F)c2)N1 587723532 AVQIAUMBLMJEKC-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2)N1 587729881 DUWHIIQTOVWYTR-BBATYDOGSA-N 366.249 4.719 0 1 FJAF CC(C)n1cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758835 YJMYZLVNVGJKAJ-GTNSWQLSSA-N 351.263 4.594 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3n2)N1 587777207 FWPRTXNMMAADIK-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3occc23)N1 587828576 OIAFGYYSTDLVHC-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CC[C@H]1CCCN1C 587860174 QHKVVCAPFAFCIW-CQSZACIVSA-N 368.308 4.740 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1c[nH]c3cc(Cl)ccc13)N(C)[C@H](C)C2 962636887 NSUXWBKAGMNBBQ-GTJPDFRWSA-N 370.880 4.804 0 1 FJAF c1ccc(-c2cccc3c2[C@](c2cccnc2)(c2ccccn2)NCC3)cc1 962667883 WQSPVRZJEDHQGS-VWLOTQADSA-N 363.464 4.581 0 1 FJAF CC[C@]1(c2cc(Cl)ccc2Cl)c2ccsc2CCN1C(N)=O 962705900 HOLSZMOHHKSIRO-MRXNPFEDSA-N 355.290 4.645 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(-c3ccccc3)nn2C)N1 962947514 NRTFLPUDQKCISH-QMHKHESXSA-N 356.473 4.582 0 1 FJAF c1ccc2[nH]c(-c3ccc([C@@H]4NCCc5c4[nH]c4ccccc54)cc3)nc2c1 1772628454 KKOGSXOXARKZRG-QFIPXVFZSA-N 364.452 4.946 0 1 FJAF CC(=O)OC[C@@H]1C=C(C)[C@]2(C)C(C)=CC[C@@H](OC(=O)C=C(C)C)[C@@]2(C)C1 2356692761 KKLZNIQYCOGUJF-CZAYHTPWSA-N 360.494 4.756 0 1 FJAF C[C@@H]1c2c(-c3ccccc3)n[nH]c2CCN1C(=O)Nc1cccc(Cl)c1 2382240539 FWQLCBCSPSSNDA-CYBMUJFWSA-N 366.852 4.881 0 1 FJAF COC(=O)c1ccc2c(c1)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O 714176 HEEJLTUGLZAZAB-UHFFFAOYSA-N 365.429 4.521 0 1 FJAF CCOC(=O)C1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1 13685673 QKIAXNSESNNFFE-UHFFFAOYSA-N 352.430 4.653 0 1 FJAF CCCN(CCc1ccccc1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741759 GVFSLSBQCUQRBA-NRFANRHFSA-N 360.501 4.792 0 1 FJAF O=C(O)c1ccc2c(c1)[C@@H]1OCC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2 49035880 NBNCUTREKOYIBG-CSMYWGQOSA-N 364.228 4.936 0 1 FJAF NC(=O)NC(=O)[C@H](CC1CCCCCC1)c1ccc(Cl)c(Cl)c1 49113014 MQAMSFQGHCGMRE-CYBMUJFWSA-N 357.281 4.632 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3ccccc3C)ncnc21 82180459 METDOUZUEIGILM-OAHLLOKOSA-N 351.498 4.916 0 1 FJAF O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1 95559386 OYTBVEUSRCRGJP-UHFFFAOYSA-N 355.850 4.528 0 1 FJAF CC(=O)Nc1cc(NC(=O)Nc2cc(F)cc(C(F)(F)F)c2)ccc1C 95563634 VWYOYAWMINICHY-UHFFFAOYSA-N 369.318 4.755 0 1 FJAF Cc1cc(Cl)ccc1Oc1cn(C)c(COc2ccccc2)cc1=O 141873050 VGSJRGQODYZOEH-UHFFFAOYSA-N 355.821 4.718 0 1 FJAF CN(C(=O)c1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 207473447 KTZNDLNFLVKSEC-UHFFFAOYSA-N 373.275 4.849 0 1 FJAF Fc1ccc(-c2nc3ncccn3c2-c2nc3cc(Cl)ccc3[nH]2)cc1 473151292 PFKZCJFDTNMPIX-UHFFFAOYSA-N 363.783 4.732 0 1 FJAF COc1ccc(N(CCc2cccc(C)n2)C(=O)C2CCCCC2)cc1 473165354 BFQTUZNMYNKQNQ-UHFFFAOYSA-N 352.478 4.555 0 1 FJAF CCCC(Br)(CCC)c1nc2cc3c(cc2[nH]1)OCCO3 586970230 BZGUPGZITRMHKT-UHFFFAOYSA-N 353.260 4.525 0 1 FJAF COc1cc2nc(/C=C\c3ccc(Br)c(OC)c3)[nH]c2cc1C 586975870 GNDLWZBZDUDPTI-ALCCZGGFSA-N 373.250 4.821 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587169055 RLLGTGBQCPKUCL-SSDOTTSWSA-N 370.609 4.653 0 1 FJAF C[C@@]1(CCc2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522369 FNVWCCFSAGZBNW-HSZRJFAPSA-N 360.457 4.798 0 1 FJAF CCCC[C@H](CC)COc1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587555499 OWPHIMMLFWQWQG-AWEZNQCLSA-N 367.449 4.698 0 1 FJAF Cc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559364 WNNMZMCMAZCMPZ-RXVVDRJESA-N 350.345 4.543 0 1 FJAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CN(C)C)cc1OC 587624159 FESDNGDJMMGQTC-UHFFFAOYSA-N 358.869 4.876 0 1 FJAF Cc1ccsc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587846128 TZWYGJGNFZXOEN-HWPZZCPQSA-N 354.288 4.756 0 1 FJAF CC(C)c1ncc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587856751 XREVHYAGNHVDJK-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874148 VTZWSVDBKQIBCG-GFCCVEGCSA-N 364.376 4.391 0 1 FJAF COc1cc(CO)ccc1-c1cc2c(Nc3ccccc3)ncnc2s1 653701085 RNJBDSKCYVELPW-UHFFFAOYSA-N 363.442 4.603 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@](C2CCCCC2)(C2CCC2)N1)C(F)(F)F 962764332 LQQLETYXICXORA-ICSRJNTNSA-N 365.439 4.908 0 1 FJAF O=C(Nc1cccc(Cl)c1)Nc1cccc(NC(=O)c2ccccn2)c1 1857535649 RYKXTEYJIZKNBG-UHFFFAOYSA-N 366.808 4.631 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1 1911580112 HMUYLRXQXBNPAR-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC(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 36387902 CLZMLBSPTYKTNM-STSBSJHJSA-N 359.554 4.883 0 3 FJAF COc1ccc(-c2cc3ccccc3c(=O)n2CCc2cccs2)cc1 36388787 HQDFYFNGPMCFSV-UHFFFAOYSA-N 361.466 4.981 0 3 FJAF CCCC[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@@H](c2ccc(Cl)cc2)O1 72138252 IGBHDJDWQNUBBT-RHSMWYFYSA-N 350.842 4.924 0 3 FJAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)cc1 13740263 QGPBRSDGYQTSKG-KCLUMXDGSA-N 369.892 4.820 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 15153133 GPTWTKZDAAYJRN-QCJWOHOXSA-N 370.445 4.991 0 1 FJAF endogenous,in-man CC(C)CC[C@@]1(c2ccccc2)CC(=O)[C@H](Sc2ccccc2)C(=O)O1 18114273 DZTDBSQBBORCIN-UNMCSNQZSA-N 368.498 4.995 0 1 FJAF COc1ccc2c(c1)[C@H](CCCN1CCN(C3CCCCC3)CC1)CCC2 22931103 TUMKKQCFMIMRJN-FQEVSTJZSA-N 370.581 4.846 0 1 FJAF O=C(c1ccccc1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 28570252 YLQGCRVAOAOYQS-SFHVURJKSA-N 350.418 4.879 0 1 FJAF O=C(Nc1ccccc1C(F)(F)F)c1ccccc1OCc1ccncc1 34892308 AQMICILHDHYNIO-UHFFFAOYSA-N 372.346 4.932 0 1 FJAF CO[C@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1 45255142 CSPPYCUFANIFMM-DNQXCXABSA-N 365.517 4.546 0 1 FJAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1cccc(Cl)c1 58603729 ZVLJLGDWFSHAKY-KRWDZBQOSA-N 372.852 4.645 0 1 FJAF COc1cc2nc(NCC3CCCCC3)nc(NCC(C)C)c2cc1OC 82136959 CKDYEGKBNSSRBP-UHFFFAOYSA-N 372.513 4.707 0 1 FJAF COc1ccc2c(c1)C(=O)N(c1ccccc1)[C@@H](c1ccc(C)s1)N2 95582639 LDGAOCKIQINGEV-IBGZPJMESA-N 350.443 4.836 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152195 FMMKJMIJNXFPMS-IRXDYDNUSA-N 356.491 4.517 0 1 FJAF O=C(O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 145353662 NSUPONBVYMKBMO-UHFFFAOYSA-N 359.307 4.604 0 1 FJAF O=C(O)c1cccc(Cn2cnc3cc(-c4ccc5cc[nH]c5c4)ccc32)c1 169348541 DSVYWEMDKVPXMX-UHFFFAOYSA-N 367.408 4.931 0 1 FJAF Fc1ccc2c(c1)c1c(n2CCCOc2ccc(Cl)cc2)CCNC1 169350526 AYKQXOKTTGHBAI-UHFFFAOYSA-N 358.844 4.549 0 1 FJAF Cc1oc2c(c1-c1nc3cc(Br)c(F)cc3[nH]1)C(=O)CCC2 586903372 JVSBAEHSZVIVAE-UHFFFAOYSA-N 363.186 4.552 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(F)cc1C3 586988779 QJGLUCLEDURUQT-UHFFFAOYSA-N 353.352 4.862 0 1 FJAF COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2cn1 587031222 PNCNYNVFPOAHSO-GFCCVEGCSA-N 364.474 4.926 0 1 FJAF COc1cnc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1Cl 587065226 WANZJGBQIFPWHV-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF Clc1cccc(COc2ccc(/C=C\c3nc4cnncc4[nH]3)cc2)c1 587069726 GUSFEVWFJCIVMT-TWGQIWQCSA-N 362.820 4.756 0 1 FJAF Cc1cc(Br)cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc12 587071328 KCVBLBUZQPZAOT-UHFFFAOYSA-N 363.642 4.713 0 1 FJAF Clc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082355 OYFUJBQFEOLBFW-UHFFFAOYSA-N 359.216 4.770 0 1 FJAF COc1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587163734 RYZRWJPNRFQPOY-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(C)c1)CC2=O 587466827 PAHOLGRNBGHMHB-SFHVURJKSA-N 362.372 4.961 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1C(=O)OC(C)(C)C)CC2=O 587472079 XQBDIAIILSGNFB-SFHVURJKSA-N 371.433 4.636 0 1 FJAF O=C1C[C@](c2ccccn2)(c2cccs2)Oc2c1ccc1c2CCCC1 587531858 MVJIFJIGAYAHIW-QFIPXVFZSA-N 361.466 4.931 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(F)cc2F)N1 587726376 WZMRRHXFTHISAV-HUTHGQBESA-N 370.212 4.684 0 1 FJAF Cc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587729572 VYKBDUBASXNPLA-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ccc23)N1 587802535 MQJNOPCEVKGDSP-JEOXALJRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C\c2ccco2)N1 587829999 SBPXAIGVKNROJQ-JIVMBIRCSA-N 350.231 4.644 0 1 FJAF COC(=O)c1ccc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2n1 587949822 KZMMLJHGDZAIMI-KAMYIIQDSA-N 371.396 4.707 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc3cc(C)c(C)cc3[nH]2)N1 962960103 VXRKCGMIWLPQHJ-IQMFZBJNSA-N 358.489 4.849 0 1 FJAF Fc1cccc(-c2nc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)co2)c1 963101837 MEBBEZCVZMKRSK-YLJYHZDGSA-N 352.384 4.730 0 1 FJAF CC(C)CN1CC[C@]1(C(=O)NCc1cccc2ccccc12)c1ccccc1 1857599408 UOFWVKHHOMSCEP-RUZDIDTESA-N 372.512 4.713 0 1 FJAF ClC1=C(CN2CCCCC2)CSc2ccc(Br)cc21 1857774418 CHFPADKPTLQDQP-UHFFFAOYSA-N 358.732 4.991 0 1 FJAF COC(=O)C(C)=CCC[C@H](C)[C@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356814546 CIOTYZFASUOYQU-WOSRLPQWSA-N 360.450 4.607 0 1 FJAF COc1ccc(-c2nc3cccc(C)n3c2NCc2ccco2)cc1OC 4103602 IDWAPSXAPXTTPF-UHFFFAOYSA-N 363.417 4.532 0 3 FJAF C=CC(=O)Nc1ccc2ncnc(Nc3cccc(C(F)(F)F)c3)c2c1 13797516 LSYGGBSRDNYACG-UHFFFAOYSA-N 358.323 4.517 0 1 FJAF Cc1cccc(CN2CCC(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)c1 13860166 RYPURVOUHFFJCE-IBGZPJMESA-N 362.517 4.575 0 1 FJAF O=C(O)Cc1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1 28563525 UYGQOZASASBCSP-UHFFFAOYSA-N 361.426 4.729 0 1 FJAF Cc1cc(CCCCCCCOc2ccc(C3=NC[C@H](C)O3)cc2)on1 29481167 BFAQBFRVLDCXCV-KRWDZBQOSA-N 356.466 4.720 0 1 FJAF c1ccc2c(c1)oc1ccc(Oc3cc(NC[C@@H]4CCCO4)ncn3)cc12 82067810 SFKRFMFPLUFAOL-HNNXBMFYSA-N 361.401 4.759 0 1 FJAF CC(C)OCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 146453480 XTRBWKGIDKDFIL-UHFFFAOYSA-N 367.518 5.000 0 1 FJAF CCc1ccc(-c2nc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)cs2)cc1 587016603 YZKPADOKENQGCN-KRWDZBQOSA-N 363.446 4.640 0 1 FJAF O=C(O)c1cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2cc1F 587049009 KHPRFKIRABFCTQ-JGVFFNPUSA-N 365.191 4.978 0 1 FJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587068624 AFIYFXNDCLBRLF-JTQLQIEISA-N 354.668 4.808 0 1 FJAF Cc1ccc(Cc2nc3cc(Br)ncc3[nH]2)cc1C(F)(F)F 587095203 RUQRTTGEMHXUGB-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF CC(C)Oc1ccc2nc(-c3cc(OC(C)(C)C)c(F)cc3N)[nH]c2c1 587136406 PMJLIBFOKZYNHI-UHFFFAOYSA-N 357.429 4.916 0 1 FJAF COC1(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)CCC1 587347588 FIYMXAQRPGJWQV-TZIWHRDSSA-N 370.420 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N(CC)CC)cc1O)CC2=O 587466597 AMFOIAKZUVFDRY-NRFANRHFSA-N 369.461 4.603 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1cccnc1)CC2=O 587488796 KAMCHXUIJKPQIS-XMMPIXPASA-N 373.452 4.957 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(Cl)c1 587653193 FBQOJPXCSJOTMD-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2F)N1 587717454 LAHQFKODQZUXHU-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3cc(Br)cc(C)c3[nH]1)CC2 587935359 TXDWUINHTBHFQE-ZDUSSCGKSA-N 371.278 4.915 0 1 FJAF COc1cccc([C@@]2(CCc3cccc(C)c3)NCCc3c(C)ccnc32)c1 963068500 LOQZWYADFUUXOA-RUZDIDTESA-N 372.512 4.729 0 1 FJAF CC1(C)CN2c3cc(Br)cc(c31)[C@]21C=COc2ccccc21 963072725 UPUVWPFLSVKGNH-LJQANCHMSA-N 354.247 4.710 0 1 FJAF CC(C)(C)[C@]1(c2ccc(Cl)c(F)c2)NCCc2c(C(=O)O)cccc21 963136571 ZODONFSOZYCELQ-HXUWFJFHSA-N 361.844 4.613 0 1 FJAF O=c1oc(=S)oc2c1[C@H](c1ccc(Cl)cc1)O[C@H](C1CCCC1)C2 95569438 BUCWDCAXEFPRAZ-BBRMVZONSA-N 364.850 4.837 0 3 FJAF CC(C)=C[C@@H](Cc1ccccc1)S(=O)(=O)c1nc2ccccc2s1 1645288 WLJOHDSGEBQULH-INIZCTEOSA-N 357.500 4.648 0 1 FJAF c1ccc(-c2cn(-c3cc(-c4ccccc4)nn3-c3ccccc3)nn2)cc1 13704492 VAULVTRHVWLGKU-UHFFFAOYSA-N 363.424 4.787 0 1 FJAF CC(C)n1cc(-c2ccc(Oc3ccccc3CO)cc2)c2c(N)ncnc21 26284037 QTJNWMQSUXNJOF-UHFFFAOYSA-N 374.444 4.546 0 1 FJAF Clc1ccc(C(c2ccc(Cl)cc2)(c2cn[nH]c2)n2ccnc2)cc1 27431793 FKCARZHIWKBDJK-UHFFFAOYSA-N 369.255 4.753 0 1 FJAF CCCC[C@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133502 XUIBOQHCAYSWFE-OCCSQVGLSA-N 368.429 4.674 0 1 FJAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=C=CP(=O)(O)O)CC[C@H]12 31860970 PYVQTASVCPATQN-SRLONNOFSA-N 374.417 4.768 0 1 FJAF Cc1cc(Cl)nc(N2C(=O)CS[C@@H]2c2c(Cl)cccc2Cl)n1 33504912 PTZNLQKMDLUTSE-CYBMUJFWSA-N 374.680 4.524 0 1 FJAF Oc1ccc(-c2sc(Nc3ccccc3)n[n+]2-c2ccc(F)cc2)cc1 36379384 GBJZCVDNPYKYMQ-UHFFFAOYSA-O 364.425 4.675 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 38158326 CAJALTAVRYNFRC-AKQDLCJJSA-N 359.554 4.789 0 1 FJAF C[C@H](F)c1ncnc(NCCc2ccc(OC(F)(F)F)cc2)c1Cl 43065276 GJEREQYJIQASAW-VIFPVBQESA-N 363.742 4.714 0 1 FJAF in-vitro Cc1ccc(CC(C)(C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45195972 KIJLCSLNCQZTSL-GOSISDBHSA-N 351.412 4.658 0 1 FJAF O=C1Oc2cc(O)cc(Cc3ccccc3)c2C[C@H]1c1ccc(Cl)cc1 96174388 QOQPQWWGESZFBH-FQEVSTJZSA-N 364.828 4.882 0 1 FJAF O=C1CC(=O)CC([C@@H]2C[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 103015936 ZGNWACSWSPOQCW-CABCVRRESA-N 364.285 4.766 0 1 FJAF COc1ccc(-c2cc(O)c(-c3ccc(OC)cc3)c(OC)c2OC)cc1 103192518 PWJWVNUGXDCMKF-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF biogenic Cc1cc(C)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587028873 AXPODSWMXRASJB-UHFFFAOYSA-N 359.458 4.701 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(Cl)c(C)c2[nH]1 587064820 HEIQXQYEKPCIEM-UHFFFAOYSA-N 365.216 4.578 0 1 FJAF COc1ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c(Cl)n1 587084068 UNAYORLDCNDLDX-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1c(F)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(F)c(F)c1S 587133778 CIPQLJJRQVANEO-UHFFFAOYSA-N 368.142 4.777 0 1 FJAF CC(C)COc1cc2nc(-c3cncc(F)c3)[nH]c2cc1Br 587177462 XOCGHRFIIHGFOK-UHFFFAOYSA-N 364.218 4.561 0 1 FJAF COc1cccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191195 RRPBJPHOOYIFST-SFHVURJKSA-N 367.449 4.528 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc(F)c(F)c2[nH]1)C1CCCC1 587227213 WUQCXKQSECBWIG-AWEZNQCLSA-N 351.397 4.597 0 1 FJAF CCOC1=C(C)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349836 JINBHRNSDLHDKV-RBBKRZOGSA-N 368.404 4.733 0 1 FJAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1O[C@@H](C)CC 587402522 YMWZKSDVCCYTDY-XOBRGWDASA-N 369.461 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(F)cc1F)CC2=O 587466112 LQGNVILCOUXPRT-IBGZPJMESA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@@H]3CCCCO3)o1)CC2=O 587486221 XGEABPXVEXVNRJ-FXAWDEMLSA-N 356.418 4.886 0 1 FJAF CC(=O)Sc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532130 LGFSVAASXVJZKG-HXUWFJFHSA-N 352.455 4.911 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccccc12 587601974 GLIZDXSAZRPALQ-NZQKXSOJSA-N 358.393 4.586 0 1 FJAF CSC[C@@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609439 VURJWSXIZWNJML-OXQOHEQNSA-N 358.459 4.502 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c(F)cccc2F)N1 587715318 CFABEQSPGMIDEA-XYZCENFISA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnccc23)N1 587775967 APJNVBDMBMHGOW-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2)N1 587777170 FRXIGACSNFBGAT-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]3C=C[C@H]2CC3)N1 587817490 COOHOUGDHQCRDK-SODNPDMKSA-N 364.302 4.940 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)[C@@H]1C 587822125 ISWNYMGSJQJHJT-MFOGRAASSA-N 352.291 4.940 0 1 FJAF CCCc1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587855024 SXMFLNFTLAATDZ-FVMDXXJSSA-N 369.303 4.621 0 1 FJAF CCCOc1c(OCC)cccc1[C@@H]1N[C@H]2CC[C@H]2c2ccc(OC)cc21 962996998 PVACZFXESXNNIT-XJABCFGWSA-N 367.489 4.821 0 1 FJAF CC[C@H](Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1 1857613516 IZFPWSRDXPTRBZ-KRWDZBQOSA-N 373.503 4.507 0 1 FJAF CCN(CC)c1ccc(NC(=O)c2c(SC)nsc2SC)cc1 1857613809 AUOQVPXDZJLBNJ-UHFFFAOYSA-N 367.565 4.685 0 1 FJAF COc1cc([C@@H]2C[C@@H]3O[C@@H](C)[C@H](C)c4c(C)c(O)cc(c43)O2)ccc1O 2356557635 VLLDKCORIPYEDM-WDSWSEJJSA-N 356.418 4.502 0 1 FJAF CN(C)CCCCCOc1ccc2oc(-c3ccccc3)cc(=O)c2c1 13454293 DKSDLSUPQYIZAA-UHFFFAOYSA-N 351.446 4.571 0 1 FJAF COc1cccc(-n2nc(-c3ccccc3)cc2NC(=O)c2ccccc2)c1 13704406 PHJRGBLZBGYLSS-UHFFFAOYSA-N 369.424 4.800 0 1 FJAF c1ccc(CCc2cc3c(Nc4ccc5[nH]ccc5c4)ncnc3[nH]2)cc1 49114404 PWLPHODRHOUKAZ-UHFFFAOYSA-N 353.429 4.968 0 1 FJAF CCn1cc2c(n1)N(C)c1ccc(Cl)cc1N(c1ccccc1)C2=O 66264068 VVPIBKSVJBQHDY-UHFFFAOYSA-N 352.825 4.616 0 1 FJAF CCN(CC)C(=O)[C@H]1Cc2ccccc2-c2c1c1ccccc1n2CCF 96909176 OFCPAXGWSSAQNU-IBGZPJMESA-N 364.464 4.786 0 1 FJAF O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccccn1)N1CCCCC1 96938385 MZEOFGFZPHAUMA-UHFFFAOYSA-N 369.468 4.864 0 1 FJAF Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1 101711077 OIKOIZIBSGXBPF-UOBYYGQQSA-N 350.462 4.768 0 1 FJAF O=c1cc(-c2nc3ccccc3[nH]2)c2ccc(OCc3ccccc3)cc2o1 102907537 HRGHFQAGOTYFIJ-UHFFFAOYSA-N 368.392 4.915 0 1 FJAF CCCNC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(CC)CC 103255880 CTBUVSYRABSUCB-UHFFFAOYSA-N 371.529 4.988 0 1 FJAF CCCCNC(=O)Nc1cc2nc(C3CCCCC3)[nH]c2cc1N(C)C 103255891 VNELZEYHXYUYCI-UHFFFAOYSA-N 357.502 4.598 0 1 FJAF OCCCCCCCCCCCc1nc2c(Br)ccnc2[nH]1 586894713 RPWZDKBSVSKNGW-UHFFFAOYSA-N 368.319 4.766 0 1 FJAF Cc1oc2c(c1-c1nc3cc(Br)cc(C)c3[nH]1)C(=O)CCC2 586902587 CGTBSTHAYQNGMP-UHFFFAOYSA-N 359.223 4.721 0 1 FJAF COc1cc2nc(-c3nc(Br)ccc3Cl)[nH]c2cc1Cl 587004987 HTANJKPOOGPUGR-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF COc1cc(/C=C\c2nc3ccnc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587046550 IVIQGUKFNMWYAC-PLNGDYQASA-N 373.840 4.531 0 1 FJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)cc1 587067839 RENIHQLEVSCAEM-UHFFFAOYSA-N 374.831 4.919 0 1 FJAF Cc1cnc(Cl)nc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587104659 WDGKHYBWMOBRID-UHFFFAOYSA-N 357.800 4.865 0 1 FJAF CCOc1cc(/C=C\c2nc3ccc(C(C)=O)cc3[nH]2)ccc1OC(F)F 587129088 BTOKNAPVGMXEIE-UITAMQMPSA-N 372.371 4.936 0 1 FJAF O=C(O)c1nc2cccc3c2c(c1Cc1ccccc1)-c1ccccc1C3=O 587208228 SQILNPUXXGIYTH-UHFFFAOYSA-N 365.388 4.735 0 1 FJAF COC(=O)Cc1c(C)nc2c(oc3ccccc32)c1-c1cccc(OC)c1 587362562 JYKMBUVZTLHXIY-UHFFFAOYSA-N 361.397 4.681 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(C)cc(C)c31)CC2=O 587494670 ZMNDYRNOQDQPEO-QFIPXVFZSA-N 352.430 4.605 0 1 FJAF O=C1C[C@H](c2ccc(Oc3ncccn3)cc2)Oc2c1ccc1c2CCCC1 587515524 PELBZFMMUJDZCM-OAQYLSRUSA-N 372.424 4.854 0 1 FJAF Cc1ccccc1-n1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587517223 JKRILJAKMCWKTR-XMMPIXPASA-N 372.468 4.940 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Cl 587611646 HHXHIMNHQDSGJB-WMLDXEAASA-N 358.802 4.810 0 1 FJAF CC(=O)Nc1ccc(NC(=O)c2c(C)[nH]c3c(C)cc(Cl)cc23)cc1 587626822 IDMRTXNTHKCGGP-UHFFFAOYSA-N 355.825 4.649 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587721602 PVHSMNARBVFXBH-HUTHGQBESA-N 370.212 4.798 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781127 PXEQVJLOZWHQKE-DAXSKMNVSA-N 350.315 4.951 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ccc23)N1 587804597 RRZLDQDBUBUJJB-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CCCc1cccs1 587873165 VKYHLHQVCFSTRW-UHFFFAOYSA-N 358.438 4.813 0 1 FJAF O=C([C@H]1Cc2c(ccc3ccccc23)O1)n1nc2cc1Oc1ccc(F)cc1-2 587875443 OLWXMIFOQPVCTB-HXUWFJFHSA-N 372.355 4.592 0 1 FJAF COc1cc(-c2ccc3c(-c4nc5ccccc5[nH]4)n[nH]c3c2)c(C)cc1O 1772587176 WLQNCGCWDPIRDF-UHFFFAOYSA-N 370.412 4.796 0 1 FJAF Cc1ccc(Nc2nc(Cl)[nH]c(=Nc3ccc(F)c(Cl)c3)n2)cc1 1857635114 ZYFUQXCMILKUMR-UHFFFAOYSA-N 364.211 4.535 0 1 FJAF O=C(Nc1cccc(C(=O)Nc2ccc3[nH]ccc3c2)c1)c1ccccc1 1857643231 UDTHUDGULBFUEQ-UHFFFAOYSA-N 355.397 4.673 0 1 FJAF CCCCCC=CC[C@@H]1O[C@H](C=C=CBr)C[C@@H]1OC(C)=O 2356793381 KLCHFJGEHIUFMA-MQLJSZGFSA-N 357.288 4.666 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)C[C@H]3O 6381574 DXLOSPHNYYRNBG-CQSZACIVSA-N 370.445 4.524 0 1 FJAF CCCCc1nc2[nH]cnc2c2nc(-c3ccc(-c4ccccc4)cc3)nn12 13475522 IFTUCNITHWUROU-UHFFFAOYSA-N 368.444 4.677 0 1 FJAF CCCN(CCC)CCc1ccc(OCCc2ccccc2)c(OC)c1 13795736 NDQMIVFSBKTDEN-UHFFFAOYSA-N 355.522 4.981 0 1 FJAF O=C(Nc1ccc(F)c(-c2nc3ccccc3o2)c1)c1cnccc1Cl 96926865 CWDJUFUNGLSJJE-UHFFFAOYSA-N 367.767 4.935 0 1 FJAF O=C1C[C@H](c2ccccc2Cl)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929567 QXQUNBGYCUXRRG-PCCBWWKXSA-N 368.908 4.714 0 1 FJAF O[C@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185390 FSRGBFIJCFDRBB-NGRWLJPCSA-N 351.421 4.587 0 1 FJAF CN[C@H]1CC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509249 DYNODBXGYMORGO-OKILXGFUSA-N 352.507 4.912 0 1 FJAF CC[C@]1(C(=O)N[C@H](C)c2ccc(Br)cc2)C[C@@](C)(Cl)C1 103205786 YXGCFDMUXBPNQU-LYRGGWFBSA-N 358.707 4.814 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@@H](NC(=O)Nc1cccc3scnc13)C2 169705003 RYLOMEUAVDSYHA-INIZCTEOSA-N 365.502 4.883 0 1 FJAF CCCCCOc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br 586892281 WHVHDIRWQXLOJG-KRWDZBQOSA-N 369.303 4.758 0 1 FJAF COC(=O)c1ccc(Oc2ccc3nc(-c4occ5c4CCC5)[nH]c3c2)cc1 586905403 NRXKMXFKCAKEFM-UHFFFAOYSA-N 374.396 4.891 0 1 FJAF O=C1c2ccccc2-c2c(Cc3ccc(F)cc3)cnc3ccc(O)c1c23 586989110 WUIJJMUHRGRUKM-UHFFFAOYSA-N 355.368 4.882 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)c(Cl)nc2[nH]1 587228720 GIRQBVDWSRTJGS-UHFFFAOYSA-N 365.264 4.626 0 1 FJAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(C(=O)O)cc2[nH]1 587246505 BIXNOMAWUIACIM-UHFFFAOYSA-N 373.412 4.676 0 1 FJAF CCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587359410 YOLDFYYQRHPSGV-IRLDBZIGSA-N 366.388 4.961 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C(=O)O)CC3)c1 587367377 WLWFNNCQASVGRH-AWEZNQCLSA-N 373.408 4.846 0 1 FJAF C[C@@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587378427 VAIVXRCBPXLGJD-ICSRJNTNSA-N 354.402 4.867 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c[nH]c3nccc(Cl)c13)CC2=O 587461404 MQXOHJLIPMIXAX-FQEVSTJZSA-N 370.836 4.755 0 1 FJAF O=C1C[C@H](c2cc(Cl)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587497418 ASLWYQMBLOENAB-LJQANCHMSA-N 370.832 4.792 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC 587925170 CADIAWTZADMVNV-SECBINFHSA-N 366.248 4.628 0 1 FJAF COc1cc2nc([C@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Cl 587927781 XSCVHVUORCXFGZ-LLVKDONJSA-N 360.841 4.588 0 1 FJAF FC(F)(F)CNC1CCN(c2cccc(-c3cc4ccccc4[nH]3)c2)CC1 618010331 SRWQIXXDBJNAPT-UHFFFAOYSA-N 373.422 4.956 0 1 FJAF Cc1ccc(C)c2sc(-c3nc(-c4ccc(C(=O)O)cc4)no3)cc12 1857541035 XFZDQLMCBCSXIC-UHFFFAOYSA-N 350.399 4.933 0 1 FJAF S=C(NCCC12CC3CC(CC(C3)C1)C2)NC1C2CC3CC(C2)CC1C3 1857638122 QOISZEIQUJNVEP-UHFFFAOYSA-N 372.622 4.882 0 1 FJAF Clc1cccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)c1 1857759064 NDSZUDJYEHKGLF-UHFFFAOYSA-N 351.793 4.621 0 1 FJAF O=C(CNc1ccc(Cl)cc1)Nc1nc2ccc(Cl)cc2s1 4201841 RCYLLNPETNFKNS-UHFFFAOYSA-N 352.246 4.654 0 1 FJAF Cc1cccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)c1 13757919 GPOYOJSIKVCUJH-UHFFFAOYSA-N 370.452 4.840 0 1 FJAF CC1CCN(CC[C@@H](C)[C@@H](C)S(=O)(=O)c2cccc3ccccc23)CC1 27644141 UQALZKIHWMCAMT-RTBURBONSA-N 373.562 4.760 0 1 FJAF COc1ccccc1[C@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708213 DFUCPZAAMSSVDD-DEOSSOPVSA-N 373.496 4.768 0 1 FJAF CC1=NC[C@@H]2CN[C@H](c3ccccc3Cl)c3cc(Cl)ccc3C2=N1 29336649 FTUJAWMXZRHZFL-CWTRNNRKSA-N 358.272 4.523 0 1 FJAF CN1CCc2cc(Cl)c(O)cc2[C@H]1Cc1ccccc1Br 45300322 MSEVMHUUSIDZGV-MRXNPFEDSA-N 366.686 4.580 0 1 FJAF COc1cc(C(=O)c2sc3cc(F)ccc3c2C)cc(OC)c1OC 53313541 LIFMBCLWHLNZEF-UHFFFAOYSA-N 360.406 4.606 0 1 FJAF CC1(C)C[C@@](CCNc2cccc(C(=O)O)c2)(c2ccccc2)CCO1 72109343 YZIRKTYWKMFTPL-QFIPXVFZSA-N 353.462 4.714 0 1 FJAF Cc1cc(Cl)cc2[nH]c(C[C@H](CC(=O)O)c3ccc(Cl)cc3)nc12 72118942 CIUUEGRUXUPADW-GFCCVEGCSA-N 363.244 4.979 0 1 FJAF Cc1ccc(COCc2cccc(COCc3ccc(C)cc3)[n+]2C)cc1 95582346 BQGQVEOXHXEQQD-UHFFFAOYSA-N 362.493 4.562 0 1 FJAF CC(C)Oc1ccc2nc(-c3ccnc(Br)c3Cl)[nH]c2c1 587005808 ULRLWXSGCMGUFO-UHFFFAOYSA-N 366.646 4.828 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)cnc(Cl)c2[nH]1 587044608 IFEHSSJILAOMPB-UHFFFAOYSA-N 372.639 4.911 0 1 FJAF Cc1cc(Br)cc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108088 GVQHONPGJQNDNT-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3cc(Cl)ncc3[nH]2)c1 587123498 IVHAGTHNFOKHMW-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF Cc1nc2[nH]c([C@@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1Br 587152359 MELYBRQDVFMOEZ-NXEZZACHSA-N 364.193 4.578 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)c1 587160258 OEQHGEATXBQTRT-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(F)cc1)(C1CCCC1)[C@@H](C2)C3=O 587428011 LDZDNWYMOXDBQD-AVRDEDQJSA-N 352.405 4.667 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(OC4CCCC4)c1)[C@@H](C2)C3=O 587443039 NXUVERQPCCKFOG-PGRDOPGGSA-N 350.414 4.505 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587783213 IGWKVKHRUDRRGF-UHFFFAOYSA-N 358.397 4.738 0 1 FJAF COc1c(OCC=C(C)CCC=C(C)C)cc(O)c2c1C[C@@H](C)OC2=O 2356308961 MOMMXCDOMXCEJA-OAHLLOKOSA-N 360.450 4.574 0 1 FJAF O=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCc1ccco1 3026108 RRVONZRXKAZRJF-UHFFFAOYSA-N 358.441 4.532 0 1 FJAF COc1cccc(C2CCC(N3CCN(c4ccccc4)CC3)CC2)c1 13470719 XCLCSOAFYUDOLP-UHFFFAOYSA-N 350.506 4.544 0 1 FJAF Fc1ccc([C@@H](Oc2ccc(C(F)(F)F)cc2)[C@@H]2CCCNC2)cc1 13530718 GGOSQACPTXPREV-RDTXWAMCSA-N 353.359 4.964 0 1 FJAF CC(C)n1c(=O)c2c(-c3cccc(C(F)(F)F)c3)ncn2c2ccccc21 13758862 CZPGLAKETURALJ-UHFFFAOYSA-N 371.362 4.916 0 1 FJAF CCCC[C@@H](C)COC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26395832 YFJUFXGBUYGFIH-UQTYIFAESA-N 352.515 4.824 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(C(=O)O)ccc21 28571490 PRPQDTYJTKSLKO-SJCJKPOMSA-N 350.245 4.878 0 1 FJAF Cc1cc(C)cc(COC[C@H](NC=O)C(c2ccccc2)c2ccccc2)c1 29554555 NUQVMEYMKHQGHQ-DEOSSOPVSA-N 373.496 4.767 0 1 FJAF Clc1ccccc1CNc1noc(-c2sccc2Br)n1 45302277 PRXVKNGAZHJAPY-UHFFFAOYSA-N 370.659 4.826 0 1 FJAF CC(C)(C)c1ccc(CSc2nc(Cc3ccccc3)cc(=O)[nH]2)cc1 49066478 HAQXIZKTZZNEMO-UHFFFAOYSA-N 364.514 4.951 0 1 FJAF Cc1cc(-c2nc(C3CCC3)n3ncnc(N)c23)ccc1Oc1ccccc1 96168334 YQGSBGMWZWNDQY-UHFFFAOYSA-N 371.444 4.742 0 1 FJAF CC(C)Oc1ccc(CC[C@@]2(C3CCCC3)CC(O)=CC(=O)O2)cc1F 100036690 AKNIHFDXRAOPAI-NRFANRHFSA-N 362.441 4.863 0 1 FJAF in-vivo C[C@H](Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)no1 170602543 KXWNMHUBWDFCOE-LBPRGKRZSA-N 372.808 4.547 0 1 FJAF O=C(Nc1cc(F)ccc1F)c1cc(-c2ccc(F)cc2F)ccc1O 205727206 ASFHYHJVXAYJMJ-UHFFFAOYSA-N 361.294 4.868 0 1 FJAF Cc1ccc(-c2nc(C)c(Cl)c(OCCCN3CCCCC3)n2)cc1 299823754 UDYSHVOAGBFBDZ-UHFFFAOYSA-N 359.901 4.669 0 1 FJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)c4ccccc4)[C@H]3C=C12 504699659 FYEXWWJAZZNSHA-XDACAXMVSA-N 351.490 4.572 0 1 FJAF biogenic Fc1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1F 587041426 NSAKPYUTWJDGEE-UHFFFAOYSA-N 364.442 4.899 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 587068642 AFIYFXNDCLBRLF-SNVBAGLBSA-N 354.668 4.808 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587127253 UTIDATWLELBGRP-PRHODGIISA-N 369.778 4.696 0 1 FJAF CCOc1cc(/C=C/c2nc3cncc(Cl)c3[nH]2)ccc1OC(F)F 587129940 HPDKHPCOASHAQL-GQCTYLIASA-N 365.767 4.782 0 1 FJAF Cc1c(-c2c(C)n(CC(=O)O)c3ccccc23)nc2cccc3c2c1CC3 587211630 VEMSPAHJWMLCKL-UHFFFAOYSA-N 356.425 4.657 0 1 FJAF CC[C@@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509535 ZSHOXAZIGVKFGO-QFIPXVFZSA-N 368.404 4.673 0 1 FJAF C[C@@H]1CCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587535084 ICDKXOBXELRFAD-KZULUSFZSA-N 353.487 4.853 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C(C)(C)C)(C(F)(F)F)N1 587705389 MFJUUPZOSSJEOM-CLAHSXSESA-N 368.212 4.926 0 1 FJAF COc1ccc(C=O)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587785964 FLZDWUPPLMCOQX-UHFFFAOYSA-N 358.397 4.630 0 1 FJAF Cc1cc2c(o1)CCC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834491 RVDRYVISZKKAOK-MGNBDDOMSA-N 364.258 4.604 0 1 FJAF COc1cccc(-c2cccc(-n3c(O)cc(-c4ccc(N)cc4)c3O)c2)c1 587926773 NNPWHSYSMOQRAL-UHFFFAOYSA-N 372.424 4.813 0 1 FJAF Cc1nc(NCc2ccccc2F)cc(-c2ccc3ncsc3c2)n1 653673694 DMBJWPGWPZANLC-UHFFFAOYSA-N 350.422 4.813 0 1 FJAF Cc1cccc2c1OCCC(Cn1cc(-c3ccccc3)nn1)=C2Cl 653751797 YWZQBHDRWJTDQE-UHFFFAOYSA-N 351.837 4.686 0 1 FJAF COC(=O)c1cccc(F)c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962665118 JBZNMCDLOYQSJA-QFIPXVFZSA-N 361.416 4.514 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1 962954959 LSGQNFMHQMLBML-OYHNWAKOSA-N 371.525 4.564 0 1 FJAF COc1ccc([C@]2(C(C)C)c3c(F)cccc3C[C@H]3CCCN32)c(F)c1 963100757 JFSHNLXQWOJODA-OPAMFIHVSA-N 357.444 4.894 0 1 FJAF CC(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 36387903 CLZMLBSPTYKTNM-INIDSDCZSA-N 359.554 4.883 0 3 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@@H]5ON=C(C)[C@H]5[C@@]4(C)CC[C@H]32)C1 254129947 XHKXOQIVQHCQQV-YIMJPLONSA-N 371.521 4.882 0 3 FJAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccc(C(F)(F)F)cc3)cc2n1 13834956 CUHHMTGYTGWQPC-UHFFFAOYSA-N 360.383 4.942 0 1 FJAF COc1ccc2c(c1)O[C@H]1c3c(cc(O)c(CC=C(C)C)c3OC)OC[C@H]21 14819620 XJMQUTIYKFBASW-OPAMFIHVSA-N 368.429 4.528 0 1 FJAF biogenic CN(C)[C@H]1CCC[C@@H]1N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 28237114 LQQGYJZSCKRXFJ-HOTGVXAUSA-N 367.276 4.716 0 1 FJAF O=C(C[P@@](=O)(O)OCc1ccc(-c2ccccc2)cc1)c1ccccc1 40420273 VVNSAMMAFXRBFI-UHFFFAOYSA-N 366.353 4.939 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@H](C)N(C)[C@@H](C)C1 53059662 GBUCMOFKIFALMI-STQMWFEESA-N 372.513 4.609 0 1 FJAF Nc1cccc(Cn2c(C(F)(F)F)nc3cc(Cl)c(Cl)cc32)c1 73199169 HUJRKJFWACWVOR-UHFFFAOYSA-N 360.166 4.992 0 1 FJAF Cc1cnc(-c2cnc(NCCc3cccc(F)c3)nc2-c2ccccc2)o1 82163188 ULGBXBFQRWKQOD-UHFFFAOYSA-N 374.419 4.901 0 1 FJAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCC(C)C)ncnc21 82177792 HHTMUXHGLFEDCH-UHFFFAOYSA-N 367.497 4.760 0 1 FJAF Cc1nc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)sc1C 82219726 ZHBLWKVBCAJPRT-CHWSQXEVSA-N 368.506 4.959 0 1 FJAF CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@H](C(=O)O)C3 85956520 ZKXLEDOCSSUHKY-TWDCHCNYSA-N 362.510 4.663 0 1 FJAF in-man O=c1cc(N2CCOCC2)oc2c(-c3cccc(-c4ccoc4)c3)cccc12 101172214 SLZJIHMUQUALAP-UHFFFAOYSA-N 373.408 4.557 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@H]1C[C@@H]2CC[C@@H]1C2 101253022 CCQPFCCZWSBRTL-QNVRAQEOSA-N 361.441 4.755 0 1 FJAF O=C1Nc2ccccc2[C@@H]1[C@H](C(=O)c1ccccc1)c1c[nH]c2ccccc12 102907217 OGXQPHQYRPCYJC-FGZHOGPDSA-N 366.420 4.870 0 1 FJAF CC1(C)Oc2cc(O)c(C(=O)c3ccccc3)c3c2[C@H]2C[C@](C)(CC[C@H]21)O3 238749528 CZTBXYXCAPRLOV-AQKDONEWSA-N 364.441 4.829 0 1 FJAF COc1c(OC)c(C)[n+]([O-])c2c1[C@H](CCCCCc1ccccc1)CCC2 299836260 MPVGMCKMFSBOKQ-LJQANCHMSA-N 369.505 4.869 0 1 FJAF COc1ccc(-c2cnc3cnc(-c4cccc(OC(C)C)c4)cn23)cc1 473170709 RBIYNBBAQGBCJK-UHFFFAOYSA-N 359.429 4.859 0 1 FJAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586878409 COMIRWUOJBSAPA-AATRIKPKSA-N 366.726 5.000 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587113512 LUMVIMCDQDWQRC-VIFPVBQESA-N 366.314 4.765 0 1 FJAF CC(C)(C)c1cccc2nc([C@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174683 LPSTZPNXIWPVEF-MRXNPFEDSA-N 350.441 4.723 0 1 FJAF CSc1nccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587209726 UABXGVFOGJWVKN-UHFFFAOYSA-N 355.422 4.625 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3nc(Br)ccc3[nH]2)cc1 587250784 PKTXUAXCSWOZMK-UHFFFAOYSA-N 365.234 4.637 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587428735 OUWNMTLHHFNJFC-CVDCTZTESA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(OC)c(OC)cc1C)CC2=O 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587920758 NYFPQVDCFIBURW-NTEUORMPSA-N 357.818 4.794 0 1 FJAF c1ccc(-c2cccc3c2[C@@H](c2cn(-c4ccccc4)cn2)NCC3)cc1 962671701 UMWOLVQVVGLEPZ-XMMPIXPASA-N 351.453 4.774 0 1 FJAF CC(C)C(=O)C[C@]1(C(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695836 FWEBEPSTXUNQII-IERDGZPVSA-N 363.542 4.656 0 1 FJAF ClC1=C(CN2CCSCC2)CCc2nc(-c3cccs3)ccc21 1857597143 DWWFPDLVWVROQO-UHFFFAOYSA-N 362.951 4.755 0 1 FJAF CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccc(O)cc2)cc1 1857762811 CMCUYOUITXXJIA-UHFFFAOYSA-N 374.484 4.596 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356321353 INZKXQVWURMZIT-UXYMFUMPSA-N 372.549 4.508 0 1 FJAF O[C@@H](c1cccc(Cl)c1)c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 61895727 YMJYKHBIXZQNDP-HNNXBMFYSA-N 352.743 4.831 0 3 FJAF O[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccc(F)cc2)C1 27711028 RTOQYXIVOLMJPX-FQTAANOTSA-N 369.480 4.612 0 1 FJAF CCN(Cc1ccncc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12 28005281 PVWYVGHJHHUPFS-UHFFFAOYSA-N 369.468 4.821 0 1 FJAF c1ccc2c([C@H](c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1 29135276 ZCNUCTDIGCHCHL-DEOSSOPVSA-N 368.484 4.665 0 1 FJAF Cc1cccc(-c2nc(CNCc3ccc(OC(F)(F)F)cc3)co2)c1 72183256 IQSDVAOWYCBESM-UHFFFAOYSA-N 362.351 4.838 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@H]2C)c(-c2ccco2)n1 82142612 MTSFAZQUXASQPT-ARFHVFGLSA-N 370.497 4.598 0 1 FJAF CCCOc1cccc(N2CC(Oc3ccc([C@H](C)CC(C)=O)cc3)C2)c1 96172881 UDRKWNLXNWACLA-QGZVFWFLSA-N 367.489 4.826 0 1 FJAF O=C(Nc1nc2c(s1)CCCc1ccc(F)cc1-2)c1c(F)cccc1F 96905929 QZUXASHUMHBIPH-UHFFFAOYSA-N 374.387 4.968 0 1 FJAF CC[C@@H](Cc1ccc(C)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251341 BSSCIPHDXVAFCI-FQEVSTJZSA-N 359.535 4.528 0 1 FJAF CCCCCC(=O)Nc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 166329936 YREYUDCCXNJPME-UHFFFAOYSA-N 351.450 4.753 0 1 FJAF NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1N 196196344 YGUKGLUFPBWIES-UHFFFAOYSA-N 367.452 4.552 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(F)(F)F)c2[nH]1 586963402 MVRDBRNHUQOIGC-NSHDSACASA-N 368.384 4.629 0 1 FJAF CC(C)(Cl)c1nc2cc(OC(F)(F)F)c(Br)cc2[nH]1 587007520 FAAHNYSMTVZWEG-UHFFFAOYSA-N 357.557 4.698 0 1 FJAF Fc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587016648 FBHVKBQMAQYKOJ-UHFFFAOYSA-N 361.405 4.539 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)C(F)F)CCC3 587103625 LXPZWZHFSKQCEM-OAHLLOKOSA-N 363.363 4.700 0 1 FJAF Fc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c(F)c1F 587230729 YCYKGSQBMIZBQN-UHFFFAOYSA-N 354.335 4.654 0 1 FJAF Nc1c(-c2nc3ccc(Br)c(F)c3[nH]2)ccc2ccccc12 587253133 BNDIBFFJBJHNMP-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(Br)ccc3o1)O2 587370619 GUFDZVFGAOPDBR-QGZVFWFLSA-N 372.218 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(F)cc1F)CC2=O 587466114 LQGNVILCOUXPRT-LJQANCHMSA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3cc(F)ccc13)CC2=O 587469568 ATLHYYFJTMLKBZ-FQEVSTJZSA-N 353.393 4.682 0 1 FJAF COc1cc2c(cc1F)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587504123 FVANLEKPFKWVLU-QFIPXVFZSA-N 352.405 4.520 0 1 FJAF Cc1nc2scc(C)n2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587539343 VQCASICASVFTIO-QGZVFWFLSA-N 352.459 4.598 0 1 FJAF N=C(N)c1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783718 FOVZVSQOJWPCPO-JYRVWZFOSA-N 368.440 4.596 0 1 FJAF COc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C 587804067 AHBWBPVSCGYENP-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF COc1ccc(/C=C/Cc2nc3ccc(C(C)(C)C)nc3[nH]2)c(OC)c1 587931192 ZNPCHYDVEKHTJV-VOTSOKGWSA-N 351.450 4.529 0 1 FJAF FCCn1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c2ccccc21 963098751 JCCWBMYJMPXMMP-AOMKIAJQSA-N 352.428 4.860 0 1 FJAF C[C@H](C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21)NC(=O)OC(C)(C)C 963126966 YJAZBQUHPRGILK-ADLMAVQZSA-N 373.324 4.658 0 1 FJAF Cc1ccc(C2=NO[C@](C)(c3nnc(-c4cccc(Cl)c4)o3)C2)cc1 12477210 HETRXWHGAOYERR-IBGZPJMESA-N 353.809 4.738 0 3 FJAF CCCCNC(=O)c1ccc2c(c1)[C@@H](NCc1ccccc1)CC(C)(C)O2 2486531 LWTUKGWVKBXMIX-FQEVSTJZSA-N 366.505 4.609 0 1 FJAF C/C=C(/C)C(=O)O[C@@]1(C)CCC2=C(C(C)C)[C@@H](OCC)C[C@]2(C)CC1=O 13484568 JAFLAPVIZWDZGL-WYOHQZQDSA-N 362.510 4.775 0 1 FJAF Cc1ccc(NC(=O)CC(C)C)cc1-c1ccc(C(=O)NCC2CC2)cc1 40934669 DADNBOCEQTUVCX-UHFFFAOYSA-N 364.489 4.786 0 1 FJAF O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)C[C@@H]1CCCO1 40935817 NFRCCCDXKVLNIS-QFIPXVFZSA-N 372.468 4.570 0 1 FJAF CN(C)CCNCc1cccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)c1 45322031 CXCQFPGSNWPHLW-UHFFFAOYSA-N 370.500 4.548 0 1 FJAF COc1cc2c(c(OC)c1)[C@@H](Cc1ccc(-c3ccccc3)cc1)NCC2 103173749 AAWYNXATVJQBBM-JOCHJYFZSA-N 359.469 4.800 0 1 FJAF Cc1ncc2nccn2c1-c1ccc(Oc2nccc3[nH]ccc23)cc1F 169705969 BYPSSCOWKGYPDI-UHFFFAOYSA-N 359.364 4.512 0 1 FJAF CCC(C)(C)c1ccc(-c2nc3cc(S(=O)(=O)CC)ccc3[nH]2)cc1 586882287 ZLRFIBWMLVDMSQ-UHFFFAOYSA-N 356.491 4.711 0 1 FJAF CC(C)Oc1cc2nc([C@H]3CCCC(=O)CC3)[nH]c2cc1Br 586884158 LBPRMJHBVLYOFR-NSHDSACASA-N 365.271 4.729 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(C=O)n(C)c4)nc13)-c1ccccc1C2=O 587097437 HMUUFBLRDJKDDQ-UHFFFAOYSA-N 352.393 4.573 0 1 FJAF Cc1cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2cc1Cl 587146963 AZICWOFCDGXBNM-UHFFFAOYSA-N 358.779 4.870 0 1 FJAF CC1(C)CSC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587373083 KXMQATYHRAVJOV-RXVVDRJESA-N 372.461 4.792 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c(F)cccc1F)O2 587382428 RCXWUTYVOUIHIQ-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(-c3ccccc3)sc1N)O2 587410424 MNUVNDWFGZIQFZ-OAQYLSRUSA-N 364.470 4.769 0 1 FJAF O=C1C[C@@H](c2nccn2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587515707 OTLKXQKKKRXKDA-NRFANRHFSA-N 358.441 4.517 0 1 FJAF C[C@@H]1c2ccccc2CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602478 IBFRANWSLYZHEF-OECQAKIHSA-N 372.420 4.843 0 1 FJAF CC(C)(c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602581 KCOMIXMHFDNCCD-UGKGYDQZSA-N 360.409 4.700 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)c1 587615573 YPEGTRMSRWJRAO-MAUKXSAKSA-N 358.802 4.810 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587952726 WFXOCUYGNAMSCC-LPMFXHHGSA-N 356.445 4.934 0 1 FJAF CC/C(=C\c1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1)c1ccc(C)cc1 587965971 FDRJQKZWSKXGKV-DTQAZKPQSA-N 372.472 4.577 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](C(C)(C)C)CC[C@]12NCCc1cc(C)c(F)cc12 962300224 PKDAWEZURJPBIA-SGXKBVARSA-N 361.501 4.501 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCc2ccc(O)c(OC)c2)N1 962963453 ZASXEYGAROWRLE-MWTRTKDXSA-N 364.489 4.654 0 1 FJAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3ccccn3)c12 1772636957 MUJUFDNTCAHMDP-UHFFFAOYSA-N 368.392 4.633 0 1 FJAF Nc1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1 1857594281 SLDONAKOQXVYCS-UHFFFAOYSA-N 354.335 4.664 0 1 FJAF CNCC(=CCCC(=O)O)CCCCCCCC[C@@H]1C=C(CCN)CC1 2356294984 WTODIMZVFAOXGW-IBGZPJMESA-N 364.574 4.803 0 1 FJAF Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)C3CC3)sc2c1 13533905 HISUURIBBQAQOI-UHFFFAOYSA-N 365.458 4.514 0 1 FJAF CN(C)Cc1ccc(COC(=O)[C@@H](c2ccccc2)C2CCCCC2)o1 13601987 OLMHJKHPDXNPNH-NRFANRHFSA-N 355.478 4.749 0 1 FJAF COc1ccc([C@H]2CCN(C(=O)c3cccs3)C2)cc1OC1CCCC1 13741125 RYRJQCVOJFPZTR-INIZCTEOSA-N 371.502 4.708 0 1 FJAF C1=C\CCCCN(CC[C@@H]2NCCc3c2[nH]c2ccccc32)CCCC/1 14586837 DHONBOQKWNCGKC-BTHVWEAESA-N 351.538 4.957 0 1 FJAF COc1ccc([C@H](c2ccc(OCCN(C)C)cc2)c2cccs2)cc1 29130711 UGOCOACQKVQPSW-JOCHJYFZSA-N 367.514 4.877 0 1 FJAF Fc1ccc(CN[C@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1 38322612 KQGGYEZSINLKFH-BJKOFHAPSA-N 374.503 4.868 0 1 FJAF CCCCOc1cc(O)c(C(=O)CC(C)C)c(O)c1C(=O)CC(C)C 40409573 PUTBVXPKXAQFCG-UHFFFAOYSA-N 350.455 4.734 0 1 FJAF Cn1c(CN2CCC(c3nsc4ccccc34)CC2)nc2ccccc21 45365396 HYGJPVUOYCSNGB-UHFFFAOYSA-N 362.502 4.563 0 1 FJAF CC[n+]1ccn(CCCCCCCCCCCCn2cc[n+](CC)c2)c1 73165312 UHKFFDGXCWENLE-UHFFFAOYSA-N 360.590 4.506 0 1 FJAF C1=C/CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)OCC/1 95571673 UHIXWXSSDNZPPY-OWOJBTEDSA-N 359.429 4.995 0 1 FJAF O=C1N(c2cc3sccc3cc2F)CCN1c1cnccc1C1CC1 144039879 KYPSJMGMXVYBME-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF CCCC[C@H](C)COC[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 299804830 YFJUFXGBUYGFIH-OYIFHIMESA-N 352.515 4.824 0 1 FJAF Clc1nccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587040906 JKPUZWMQEXNULC-UHFFFAOYSA-N 363.895 4.669 0 1 FJAF Clc1cccc(COc2ccc(-c3nc4nc(Cl)ncc4[nH]3)cc2)c1 587071108 LMJOLEFIIXEQRM-UHFFFAOYSA-N 371.227 4.906 0 1 FJAF Cc1c(F)ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c12 587198840 SDKJAROHQBWMFL-UHFFFAOYSA-N 374.419 4.536 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cc(C)cnc3[nH]2)c1 587198875 UJTMPKAHENQSNU-UHFFFAOYSA-N 352.438 4.613 0 1 FJAF Cc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1F 587199018 WHJRIOPFZIOLJD-UHFFFAOYSA-N 374.419 4.536 0 1 FJAF CC(=O)NC1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)CCC(C)CC1 587234368 KNLVERYRVFPNOU-UHFFFAOYSA-N 373.806 4.777 0 1 FJAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(c1ccccc1)[C@@H](C2)C3=O 587443482 AMRKYQVIVPCUQK-OFVILXPXSA-N 370.448 4.971 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(OC)ccc3o1)CC2=O 587484397 TYOXJUDHIPXEFN-HXUWFJFHSA-N 352.386 4.806 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3C)nc1)CC2=O 587491489 TVMKWCIRUIQCHC-NRFANRHFSA-N 374.440 4.817 0 1 FJAF C[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569294 PVTPKOWJCPXIHO-GHTZIAJQSA-N 368.335 4.547 0 1 FJAF COc1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c(OC)c1 587631833 WPILMGIZRQOXKJ-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF Cc1ccsc1[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846629 VDDYCAGYMPTFQF-QFYYESIMSA-N 354.288 4.756 0 1 FJAF CC(C)c1ncc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587853235 LQDMJKJPWMTLJD-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)CC2 587938219 QOQLLPHLXHBTDD-LBPRGKRZSA-N 362.351 4.743 0 1 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1ccc[n+]([O-])c1 1772582608 XGHSVMFGCIFTGH-STPKKNLZSA-N 369.549 4.807 0 1 FJAF CC1=C[C@H](CN(C)Cc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356316414 HZUFJHNPEQMTJR-BDTNDASRSA-N 367.537 4.907 0 1 FJAF CCCc1nc2c3ccccc3nc(NCCc3ccc(Cl)cc3)n2n1 6805514 HXGSKIBTXOQCHE-UHFFFAOYSA-N 365.868 4.538 0 1 FJAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@@H](NC2CCSCC2)C1 12386476 SYVFYLPDGXJQRD-SFHVURJKSA-N 359.514 4.510 0 1 FJAF CC(C)(C)c1nnc2ccc(-c3ocnc3-c3cc(F)ccc3F)cn12 14961346 APLXMOMMUKPMLH-UHFFFAOYSA-N 354.360 4.627 0 1 FJAF COc1ccc(CCCN2CCC(COCc3ccccc3)CC2)cc1 25995863 FJEVDPNLXGNGMR-UHFFFAOYSA-N 353.506 4.557 0 1 FJAF CCc1cc2c(C(=O)Nc3c(Cl)cncc3Cl)ccc(OC)c2o1 26253942 VQTBBBGKBIKAAN-UHFFFAOYSA-N 365.216 4.958 0 1 FJAF CCCCC[C@H](c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1 28817198 ISMQETOPKPOUMN-HSZRJFAPSA-N 366.549 4.750 0 1 FJAF CN(C)CCc1ccc(Nc2ncc(Cl)c(-c3cccs3)n2)cc1 28821331 SXGDTPHXBFVMQW-UHFFFAOYSA-N 358.898 4.706 0 1 FJAF O=C(NCc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)n[nH]c2s1 63298458 WVFWTUJEHMVUBG-UHFFFAOYSA-N 367.861 4.875 0 1 FJAF COc1ccc(Cn2cc(-c3ccc4oc5ccccc5c4c3)nn2)cc1 103237279 ODWIOLDHSUNXGZ-UHFFFAOYSA-N 355.397 4.901 0 1 FJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1cccc(Cl)c1 104115718 PBSUDQVTUWRSOC-SCDSTIRESA-N 360.845 4.603 0 1 FJAF Cc1c(/C=C/CCCNC(=O)OC(C)(C)C)c(O)c2c(O)cccc2c1O 169716686 FGRWEOJGLOAUMH-RMKNXTFCSA-N 373.449 4.583 0 1 FJAF COc1ccc(CNCCc2c(C)[nH]c3ccc(Br)cc23)cc1 473084888 UOBIOOZAIYALSV-UHFFFAOYSA-N 373.294 4.580 0 1 FJAF O[C@@H]1C[C@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc21 586903118 NKJGKHXYNBXKAF-SIKLNZKXSA-N 356.425 4.711 0 1 FJAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(C)cc4[nH]3)ccc12 586917739 FSSLXGXQSZDBMN-UHFFFAOYSA-N 362.429 4.899 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)cc(C)c3[nH]2)c(C)c1Br 586978665 AMGKLGULXVCCDX-UHFFFAOYSA-N 350.647 4.966 0 1 FJAF CC[C@H](C)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989583 BVMNMASEVZXDPG-LRDDRELGSA-N 371.436 4.797 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048664 JHAPPOXXQGBLSN-KCWFYHRYSA-N 361.232 4.865 0 1 FJAF COc1ccc(-c2nc3cc(OC)c(Cl)cc3[nH]2)c(C(F)(F)F)c1 587095669 PUJDMCMSWKUBPH-UHFFFAOYSA-N 356.731 4.919 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 587157620 BZAXBRQABVGOFS-UHFFFAOYSA-N 356.360 4.725 0 1 FJAF COC(=O)c1csc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209348 NYNHWOWNDHUIIO-UHFFFAOYSA-N 371.417 4.961 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H]2C2CCC2)[C@H]1c1ccc(F)cc1 587357159 TXCCNJGERBPKAN-CBQOVEMMSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(F)nc3)ccc1F)O2 587387953 XMOCAPHSNDGMOM-LJQANCHMSA-N 366.367 4.624 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1COc1ccccc1)O2 587399748 LUVNEKATWZHRTA-JOCHJYFZSA-N 359.425 4.863 0 1 FJAF COc1ccc([C@@]2(CCC(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587445169 ZQNUEVBVXXYYSW-AUSIDOKSSA-N 366.457 4.783 0 1 FJAF COc1cc2c3c(c1)O[C@](CSc1ccccc1)(C(C)C)[C@@H](C2)C3=O 587450945 WEAMVMSWHYLWMU-LAUBAEHRSA-N 354.471 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(F)ccc31)CC2=O 587472884 WJYAIERXYSWXPU-OAQYLSRUSA-N 356.393 4.517 0 1 FJAF CCc1cc(OC)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524240 KVHZZAMXBWFNES-LJQANCHMSA-N 352.430 4.549 0 1 FJAF Cc1cccc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1C 587564248 PHMAGIBCZQZVSN-UHFFFAOYSA-N 358.445 4.590 0 1 FJAF COc1cc2nc(COc3cccc(OCC(C)C)c3)[nH]c2cc1Cl 587566168 YWLVFASHOTZHOR-UHFFFAOYSA-N 360.841 4.839 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(F)(F)F)N1 587709750 NUNMYIXXDKIREF-KWQFWETISA-N 354.185 4.896 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3ccccc32)N1 587817053 HOLFAKFBLKZBRQ-CWTRNNRKSA-N 360.270 4.702 0 1 FJAF CC[C@H](C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446372 DLIKNFBWOSJTBG-KBXCAEBGSA-N 371.352 4.505 0 1 FJAF CCCN1CCC(N2Cc3cc(C)ccc3O[C@H](c3ccsc3)C2)CC1 20364066 OUPBVAMRVIGLAE-QFIPXVFZSA-N 370.562 4.867 0 1 FJAF CC(=O)Nc1ccc(Cc2ccc(CCCCCCC(=O)O)cc2)cc1 26940618 UULLOISKQVXKGF-UHFFFAOYSA-N 353.462 4.813 0 1 FJAF C[C@H](Oc1cccc(Sc2ccc3ccc(Cl)cc3n2)c1)C(=O)O 27298760 GUUMKXIQVLYUEY-NSHDSACASA-N 359.834 4.891 0 1 FJAF COc1cccc2nc(N[C@H]3CCC[C@H](NCc4ccsc4)C3)ccc12 28950999 QGLGWGGLYILCFE-IRXDYDNUSA-N 367.518 4.818 0 1 FJAF COc1cc([S@@](=O)c2ccc(-c3ccccc3)cc2)cc(OC)c1OC 72114965 WLSKTBMUOXUVRL-AREMUKBSSA-N 368.454 4.546 0 1 FJAF Cc1noc2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(O)CC(C)(C)CC1=N2 102552840 OJTVSEDPPHPOJS-GOSISDBHSA-N 351.450 4.899 0 1 FJAF Cc1ccccc1CNc1cc2c(cc1O)[C@@H](c1ccccc1)CN(C)CC2 299827580 GMNXWFJVOXRYKI-HSZRJFAPSA-N 372.512 4.933 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C)cc(Br)c3[nH]2)cc1 586885896 DJSXKHDSCXPHHF-PXAZEXFGSA-N 359.267 4.779 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc(C)c3[nH]2)cc1 586887237 HQUWMYPMSCYICD-SJKOYZFVSA-N 359.267 4.779 0 1 FJAF Oc1c(Br)ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586903256 HLHJLLFXERXDNJ-UHFFFAOYSA-N 357.207 4.562 0 1 FJAF Fc1cc2[nH]c(-c3ccnc4[nH]cc(Br)c34)nc2cc1Cl 587004351 TXVXZHIPEXTOQV-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(C(=O)O)nc4)nc13)-c1ccccc1C2=O 587098870 WSXGNPXLYILUGP-UHFFFAOYSA-N 366.376 4.515 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(Br)nc2[nH]1 587170095 IDQNWYWVKOBBDS-VIFPVBQESA-N 366.259 4.755 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1ccc(Cl)cc1Cl 587208818 BESRCQIYWPKITQ-UHFFFAOYSA-N 357.240 4.821 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c[nH]c4cc(Cl)cc(Cl)c14)[C@@H](C2)C3=O 587424336 YVLOAXMPNVPSRA-JEOXALJRSA-N 374.223 4.972 0 1 FJAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4SC[C@@H]1C)[C@@H](C2)C3=O 587451747 KJFJYHZMMQCNLN-KAFSRPFYSA-N 372.873 4.733 0 1 FJAF CCCCc1nc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(Cl)[nH]1 587463681 ZPOAKBYXGMDPSQ-HNNXBMFYSA-N 362.857 4.770 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)CCCO3)CC2=O 587493621 UPBWWBGNIMWXOC-QHCPKHFHSA-N 366.457 4.940 0 1 FJAF C[C@]1(C(=O)c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587502531 RYPZISQLYQPAER-OAQYLSRUSA-N 354.833 4.826 0 1 FJAF O=C1C[C@H](c2cc(O)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504619 FQZVFALLMPOPFZ-GOSISDBHSA-N 362.347 4.996 0 1 FJAF Cn1c(O)cc2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)ccc21 587514490 FYLBFUZECSDTJO-HSZRJFAPSA-N 361.441 4.643 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cc(F)ccc12 587634361 WCEUHXUYKXEVHJ-UHFFFAOYSA-N 367.298 4.577 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCC(F)(F)F)N1 587710008 PVIMWWFRHPAXPL-SDBXPKJASA-N 354.185 4.680 0 1 FJAF Cc1cc(OC(C)(C)C)n(-c2cc(F)c(Br)cc2F)c1O 587943891 RRHKDKXQHYMDHD-UHFFFAOYSA-N 360.198 4.709 0 1 FJAF Cc1ccc(NS(=O)(=O)c2ccc(-c3cnc(C)s3)s2)c(C)c1 653751517 FYINGCWNOFCESH-UHFFFAOYSA-N 364.517 4.598 0 1 FJAF CCc1ccc(C[C@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962625594 JJZUXTJJIWDKTF-QMHKHESXSA-N 353.506 4.601 0 1 FJAF c1coc(CN2CCc3sccc3[C@]2(c2ncc[nH]2)C2CCCCC2)c1 962709700 OFWWTKMUERFODZ-NRFANRHFSA-N 367.518 4.946 0 1 FJAF Cc1ccnc2c1CCN[C@@]2(CCC(=O)c1cccs1)c1cccs1 963066362 GYPNZQMMFTYVFX-FQEVSTJZSA-N 368.527 4.565 0 1 FJAF CN(C)C(=O)c1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 1772608115 JPRJCBDQWUQTQL-UHFFFAOYSA-N 360.244 4.548 0 1 FJAF CO[C@@H]1C=C(Br)C(C)(C)[C@@]23CC[C@](C)(Cl)[C@@H](C2)O[C@@]13C 2356550236 QNMTWNMYZMLQNY-DMVVEVTLSA-N 363.723 4.645 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 2356685799 FWEXPIFVUNZITF-OHUMZHCVSA-N 372.505 4.764 0 1 FJAF Cc1ccc(-c2nc3ccccc3c(-c3c[nH]c4ccccc34)[n+]2[O-])cc1 2382224568 QPDWLHZBRIXLOY-UHFFFAOYSA-N 351.409 4.992 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2ccccc2F)c2ncn(C(C)C)c2c1 36389266 NCJWLUPKNXOHDR-INIZCTEOSA-N 371.456 4.518 0 3 FJAF C[C@@]1(Oc2ccc(Cl)cc2)CCN(Cc2cccn2-c2nccs2)C1 61929198 WGYSJJLXSWGZDW-LJQANCHMSA-N 373.909 4.631 0 3 FJAF CCOC(=O)CCCNC(=O)O[C@H]1CCC12CCC(c1ccccc1)CC2 96019232 YRRSDZAXPNTMCU-LVIWNVNYSA-N 373.493 4.563 0 3 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 3781375 MLZFGDUUCSXZHX-NOUBXCAASA-N 371.565 4.857 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26394204 LKCRMGJZGXVDFH-QJBXRSQYSA-N 357.538 4.515 0 1 FJAF Cc1cc2c(c(C)c1Oc1ccc(O)c(C(C)C)c1)C[C@H](CC(=O)O)O2 28948140 DYCBQLSLNKIBEX-OAHLLOKOSA-N 356.418 4.703 0 1 FJAF c1ccc([C@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccccc2)C3)cc1 40791333 YXXLFRSJUIWSJG-ARIYZQMHSA-N 360.545 4.934 0 1 FJAF CC1(C)C[C@H](NC(=S)Nc2ccsc2)c2cc(Cl)ccc2O1 45350112 AALITLCSHSADSP-ZDUSSCGKSA-N 352.912 4.990 0 1 FJAF CC(=O)c1cccc(-c2cc(C(=O)Nc3nc4c(s3)CCC4)c(C)o2)c1 72180842 XZXDYAAVCOSTQJ-UHFFFAOYSA-N 366.442 4.655 0 1 FJAF COc1cccc(CN(C)C(=O)c2ccc(-c3cccc(OC)c3)cc2)c1 73161494 UGMVOQIAJOOOEU-UHFFFAOYSA-N 361.441 4.643 0 1 FJAF Cn1cc(-c2cc3c(Nc4cccc(C(F)(F)F)c4)nccc3n2C)cn1 82082726 BILGVYJZZOEVIG-UHFFFAOYSA-N 371.366 4.736 0 1 FJAF O=C(Nc1c(Cl)cccc1C(F)(F)F)c1cc(Cl)ccc1O 95593617 CAVNDEKGQCSXCI-UHFFFAOYSA-N 350.123 4.970 0 1 FJAF C/C=C/C(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc(-c2ccccc2)cc1 103183762 RHQVCFARGBSYOC-ACISRZNPSA-N 367.514 4.625 0 1 FJAF Nc1cccc(/C=C/c2cc(Br)c(O)c(Br)c2)c1 139434718 CLOGZJRCUMZACW-SNAWJCMRSA-N 369.056 4.670 0 1 FJAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@@H]1C 169355889 UKJSXJBJJJWIHD-PBQZTSCYSA-N 368.458 4.629 0 1 FJAF Cc1cc(NC(=O)CC2CCCC2)ccc1N1CC[C@H](N2CCC[C@H]2C)C1 261190504 YYOJXELLFPQIHG-NQIIRXRSSA-N 369.553 4.577 0 1 FJAF Brc1cnc2c(-c3nc4c5c(ccc4[nH]3)CCCC5)cccn12 587007386 JXJKMOZXFCCMEZ-UHFFFAOYSA-N 367.250 4.519 0 1 FJAF COc1ccc2nc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)sc2c1 587034146 DNMYHUREZOJING-UHFFFAOYSA-N 351.765 4.780 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc(C(F)(F)F)cnc4[nH]3)C2)c1 587131252 AJAUKPOTSZRYDC-UHFFFAOYSA-N 353.294 4.858 0 1 FJAF CCc1cc(Br)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587376240 ILIWDGDRPHEHCX-QGZVFWFLSA-N 360.251 4.609 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccccc3s1)CC2=O 587493720 GGXBMQDNJFGVDT-HXUWFJFHSA-N 353.443 4.835 0 1 FJAF Cc1nc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)n1 587498420 IGNKGRWPPSWGCQ-AWEZNQCLSA-N 363.244 4.677 0 1 FJAF CCn1nc(C(F)(F)F)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510830 YWERXNZSCIRTBL-INIZCTEOSA-N 364.367 4.507 0 1 FJAF O=C1C[C@@H](c2ccccc2-c2cncnc2)Oc2c1ccc1c2CCCC1 587515505 OYSZABSWGAWPNH-QFIPXVFZSA-N 356.425 4.729 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1 587542785 ADXZHKHJGYUXGY-FXAWDEMLSA-N 352.773 4.749 0 1 FJAF C=Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601734 GUOUBAZULCKBNT-NFBKMPQASA-N 358.393 4.912 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2)N1 587734213 UIWQXMRVGICOLE-BMLIUANNSA-N 352.222 4.525 0 1 FJAF Fc1cc(Br)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781030 OOJKWEPSKAEXHR-QPJJXVBHSA-N 361.214 4.695 0 1 FJAF CCOc1ccc(C)cc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncco2)c1 1772583692 CWYYSLJYJBFQKG-GOSISDBHSA-N 369.392 4.794 0 1 FJAF O=C(NCC1(c2ccc(Cl)nc2)CCCCC1)[C@H]1CCCc2[nH]ccc21 1857611933 DLQPPPSTGOUNJK-KRWDZBQOSA-N 371.912 4.501 0 1 FJAF C[C@H](c1ccc(Cl)cc1F)N1CCC(n2c(O)nc3ccccc32)CC1 1857754741 ZJYBRCLHEUTJTI-CYBMUJFWSA-N 373.859 4.933 0 1 FJAF C/C1=C\CC[C@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 5382313 AVRRAMZPNSQDIW-WONNBSMPSA-N 358.478 4.627 0 1 FJAF c1ccc(Nc2ncccc2-c2nc3cc(-n4ccnc4)ccc3[nH]2)cc1 13651276 BUPMRYXIAHDASI-UHFFFAOYSA-N 352.401 4.554 0 1 FJAF COc1cc2ccnc(Cc3ccc(Br)cc3)c2cc1OC 26674989 PIRPQYRJYSEVJL-UHFFFAOYSA-N 358.235 4.605 0 1 FJAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1 28001355 BCDADXONZRNBFO-OAHLLOKOSA-N 360.866 4.536 0 1 FJAF Clc1cccc([C@H](c2ccc(CN3CCCC3)cc2)n2ccnc2)c1 35246396 MYPXRWRXXJENNE-NRFANRHFSA-N 351.881 4.770 0 1 FJAF O=C1CS[C@H](c2c(F)cccc2F)N1CC12CC3CC(CC(C3)C1)C2 40391047 RPCDEJKZHKOELG-SVXLOUQOSA-N 363.473 4.755 0 1 FJAF COCCCOc1ccc2c(-c3cnn(-c4ccccc4)c3)ccnc2c1 84620011 PNPFEXKCCVABSY-UHFFFAOYSA-N 359.429 4.503 0 1 FJAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1cc(Cl)c2oc(=S)[nH]c2c1 96934785 SVJYXHZBQURIEI-INIZCTEOSA-N 371.849 4.841 0 1 FJAF Cc1ccc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2S)cc1 103196405 QTSQIQYQJWYLJU-LJQANCHMSA-N 352.484 4.611 0 1 FJAF Cc1ccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)cc2)cc1 169710117 SFNSIRBXKCUTMM-UHFFFAOYSA-N 358.445 4.597 0 1 FJAF CC(=O)OC/C=C(\C)CC/C=C(\CO)CC/C=C(\C)[C@H](O)CC=C(C)C 238751130 PQGMCBMSYRPHIV-ORMYALOKSA-N 364.526 4.638 0 1 FJAF CCCCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@H]2C1 299848881 OKPRNKRSEPOPFL-LNRSPMNRSA-N 359.517 4.845 0 1 FJAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccc(C)cc3)C2)s1 473124762 OZOYIGBEUNELNE-IBGZPJMESA-N 362.502 4.579 0 1 FJAF COC(=O)c1cccc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114613 VLFKYPKQMVJKIP-LLVKDONJSA-N 362.351 4.715 0 1 FJAF CN(C)/C=C/[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532752 SIWXBOQROZNDST-RJRNSMGGSA-N 353.487 4.563 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2c(F)ccc(F)c2F)N1 587718024 MECONJKJBPLNQA-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)cc(C)c1OC 587939548 COLSRLDRJYQJCB-UHFFFAOYSA-N 359.809 4.954 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c[nH]c3cc(Cl)ccc13)N(C)[C@@H](C)C2 962636890 NSUXWBKAGMNBBQ-LAJNKCICSA-N 370.880 4.804 0 1 FJAF c1coc(CN2CCc3sccc3[C@]23CCc2ccc4c(c23)CCO4)c1 962704148 IUEVKJHZDJKDJL-QFIPXVFZSA-N 363.482 4.524 0 1 FJAF Cc1sc2c(c1C)CCN[C@]21CCc2ccc(OC(F)(F)F)cc21 963004299 BTPRIQMSCSVCHI-KRWDZBQOSA-N 353.409 4.599 0 1 FJAF Cc1cccc([C@@]2(CCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)c1 963095070 CDWYZJUXEUAXGK-XXBNENTESA-N 367.464 4.653 0 1 FJAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@H]2CCCN21 963112969 YCRNMDWMXTZNAD-JPYJTQIMSA-N 351.465 4.996 0 1 FJAF COc1ccc2c(c1)nc(-c1ccccc1OC)n2Cc1ccccc1OC 1857652097 CWBQTHNAMYBKMN-UHFFFAOYSA-N 374.440 4.777 0 1 FJAF Cc1nc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c(C)c(C)c1O 1857753581 QYJKNUCEAYSMLF-UHFFFAOYSA-N 355.385 4.540 0 1 FJAF S=C(NCc1ccccc1)Nc1cccc(-c2nc3ccccc3o2)c1 1857769468 IUTZJGMRMBWDRL-UHFFFAOYSA-N 359.454 4.981 0 1 FJAF Cc1ccc(-c2nc3ccccc3n2[C@@H](C(=O)NC(C)(C)C)C2CC2)cc1 95598727 OOJRJDKGLWKXRI-HXUWFJFHSA-N 361.489 4.878 0 3 FJAF COc1cc(Nc2nc3ccccc3nc2C(C)C)cc(OC)c1OC 1659552 JQZBRZMDXAIYFT-UHFFFAOYSA-N 353.422 4.523 0 1 FJAF Nc1ccc2c(c1)sc1c(Nc3cccc(Br)c3)ncnc12 3815061 VTCCFNSRHBUEKC-UHFFFAOYSA-N 371.263 4.933 0 1 FJAF CCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 17859207 HCFFAIZSNVOHSY-IFMALSPDSA-N 368.498 4.543 0 1 FJAF C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28526437 QFGBXMNKPLHDLK-IOKUSMEGSA-N 367.533 4.707 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1 31163240 IYDWZZNRGMWKMG-PRTQVNTJSA-N 372.505 4.764 0 1 FJAF biogenic COC(=O)[C@H]1[C@@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 38192610 CBNNPWOODQAMIN-HFYXDYEBSA-N 371.527 4.516 0 1 FJAF CCCCNc1nn2c([C@@H](C)c3ccc(CC(C)C)cc3)nnc2s1 40943178 NIBMUDHJMDIKSC-AWEZNQCLSA-N 357.527 4.748 0 1 FJAF CCCCCn1c(CC(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185817 KZSSIKZOTHZSIW-UHFFFAOYSA-N 369.488 4.966 0 1 FJAF CCN(Cn1nc(-c2ccc3ccccc3n2)oc1=S)c1ccccc1 95597410 KVSDGTMPUFZFMA-UHFFFAOYSA-N 362.458 4.905 0 1 FJAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(C(N)=S)cc2)cc1 96915581 DLUIPPLWXZORGW-UHFFFAOYSA-N 361.392 4.501 0 1 FJAF Oc1ccc(C2=Cc3cc4c(cc3OC2)OCN(Cc2ccccc2)C4)cc1 115479693 DXUCNJYCUSIBPD-UHFFFAOYSA-N 371.436 4.677 0 1 FJAF CC1=CC[C@@H](C[C@@H](C)Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 139520125 KCXMCDKKIBWBCH-TYAXTIJKSA-N 357.475 4.914 0 1 FJAF O=C(O)/C=C/c1ccc([C@H]2c3ccc(O)cc3CCN2c2ccccc2)cc1 145076183 IBGXNNAJYUSZHN-IEKAHNGHSA-N 371.436 4.642 0 1 FJAF O=C(c1ccc(Br)cc1)[C@@H](c1ccccc1)c1ccccn1 169333163 NLMOIGOBLFUGEG-SFHVURJKSA-N 352.231 4.859 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(OC(F)(F)F)c(Cl)cc3[nH]1)C2 586884833 JJNCTTUEYMAJJO-LPEHRKFASA-N 370.758 4.754 0 1 FJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2c(O)cccc2[nH]1 586981945 XFMJEWSZJPDDMD-UHFFFAOYSA-N 368.234 4.797 0 1 FJAF Cc1cc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2cc1Br 587036846 OFYATQQGDUPXAT-AWEZNQCLSA-N 363.280 4.552 0 1 FJAF Cc1nc2[nH]c(Cc3ccccc3C(F)(F)F)nc2cc1Br 587096922 DSRBCKHBCLSEDE-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587111928 CCNDSZKEVQUVFV-QLJPJBMISA-N 362.355 4.652 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C)c(F)cc4[nH]3)c2)c1 587231619 CFYAYVOSSLFNQE-UHFFFAOYSA-N 373.431 4.628 0 1 FJAF C=CC(=O)Nc1ccc(-c2nc3cc(SC(F)(F)F)ccc3[nH]2)cc1 587245091 WXKYTKYWWUUOSX-UHFFFAOYSA-N 363.364 4.966 0 1 FJAF Cc1ccncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587341288 VWGUCHLTAQSZPJ-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF Cc1cccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587411611 DXIPSHBLYIVPMC-GOSISDBHSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC(F)F)cc1)CC2=O 587465315 HEWZVPNQJVOIIH-HXUWFJFHSA-N 362.372 4.827 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ccccc1F)CC2=O 587465404 CFBYIGWYTQLDGJ-NRFANRHFSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cncnc3)c1)CC2=O 587490917 PZCHKGMMMBKTMT-NRFANRHFSA-N 360.413 4.508 0 1 FJAF CC1=C(C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601697 FSANCPPKQQCIBY-YOMUGFJLSA-N 350.414 4.859 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1CC[C@H]1C[C@H]2CC[C@H]1C2 587604390 WFEFHKOFRCTHNW-KEXXQYPJSA-N 364.441 4.939 0 1 FJAF CCc1ccc(CC[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604750 XXYCPFXSXCUASM-IRLDBZIGSA-N 374.436 4.918 0 1 FJAF CC(C)[C@H]1C[C@@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587835041 UAIRPFIJJKFFID-RTRLTSMRSA-N 370.306 4.615 0 1 FJAF Cc1c(F)ccc2c1[C@@](CCC(=O)O)(c1ccc3ccccc3c1)NCC2 962140958 ADTZQPMHTKANPN-HSZRJFAPSA-N 363.432 4.541 0 1 FJAF CCc1ccc(C[C@@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962625592 JJZUXTJJIWDKTF-MWTRTKDXSA-N 353.506 4.601 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CC[C@@H](C(=O)OC)c1ccccc12 963243498 SPJDOFQTOCBRJC-PWAGRJGVSA-N 363.501 4.637 0 1 FJAF CC(C)(C)c1ccc(S(=O)(=O)Nc2c(O)ccc3ccccc23)cc1 1252038841 WCNIWGFMRGXAEJ-UHFFFAOYSA-N 355.459 4.644 0 1 FJAF CC(C)CC(C/C=C1\C[C@@](CO)(COCC(C)(C)C)OC1=O)CC(C)C 13672581 OEXHUZRSQNHBKQ-IKIAWEHASA-N 368.558 4.752 0 1 FJAF Cc1cc(O)c2c(c1)C[C@@H]1[C@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]21C 17323668 VZUZGWPYCWZJQF-GQZAWCHHSA-N 366.501 4.505 0 1 FJAF CCCN1c2cc3c(cc2[C@H]2CCCC[C@H]21)c(C(F)(F)F)cc(=O)n3C 27865394 LBZVKDVSMIHVGK-MLGOLLRUSA-N 364.411 4.814 0 1 FJAF Cc1c(O)cc(/C=C/C=C/C=C/C=C/c2[nH]ccc2Br)oc1=O 38544441 YRKNYVNNZAWSJE-VTXBTNDESA-N 374.234 4.583 0 1 FJAF COc1ccc(-c2nc(-c3n[nH]c(=S)[nH]3)cc3c2[nH]c2ccccc23)cc1 40860141 ASMXEBXDEGDSQK-UHFFFAOYSA-N 373.441 4.839 0 1 FJAF Cc1cccnc1[C@@H](Oc1cccc(Cl)c1Cl)C1CCNCC1 42922474 ICZPNJDXXLLJEO-SFHVURJKSA-N 351.277 4.817 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@H](C)N(C)C[C@@H]1C 53071010 QQNNOLZJZYPLTA-STQMWFEESA-N 372.513 4.609 0 1 FJAF COC(=O)/C=C(\C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@H]1C 238749301 LNECUDALXOQOBS-BUZGUWIWSA-N 362.510 4.838 0 1 FJAF Cc1ccc(Nc2cc(Oc3c(C)cc(C)cc3C)n3ncnc3n2)cc1 299828259 UENSKTGOBMBPBF-UHFFFAOYSA-N 359.433 4.894 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H](C(F)(F)F)CC3 586986556 NAFKQKRLJPHZBL-JTQLQIEISA-N 369.342 4.819 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)c4nccs4)nc13)-c1ccccc1C2=O 587102514 WMDXDZQENFGUTM-UHFFFAOYSA-N 370.433 4.637 0 1 FJAF CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587105874 GJNJQNBQRYRQGY-KGLIPLIRSA-N 371.436 4.675 0 1 FJAF C[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)C=C(c2ccccc2F)NO1 587157863 URQLHPOKRFPGGT-QGZVFWFLSA-N 364.207 4.800 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(Br)c(F)c2[nH]1 587169431 WAKJTYZBNWFWGC-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccccc32)[C@@H]1c1ccc(F)cc1 587351567 KENVQGKMDJTVDZ-GGAORHGYSA-N 360.384 4.732 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587358536 WOCTUXFMVNDEIL-TZIWHRDSSA-N 352.361 4.707 0 1 FJAF CCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)o1 587359401 YOLDFYYQRHPSGV-IFMALSPDSA-N 366.388 4.961 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587418849 AYJCLMFSKLFMFZ-RSXSOOJNSA-N 362.347 4.634 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CCc1ccccc1)(C(F)F)CC2=O 587463625 BYOYGRRPPWKUQW-NRFANRHFSA-N 360.400 4.947 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](/C(=C/N(C)C)c1ccc(C)cc1)CC2=O 587469312 NCISTYHQTSSTPH-SLTDHEAWSA-N 365.473 4.590 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1cccc(OC)c1)(C1CC1)CC2=O 587475516 AFLJJZRINJFAJM-QHCPKHFHSA-N 366.457 4.710 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1cc(C)ccc1OC)CC2=O 587477815 JJPKDEMKJNZZDK-QFIPXVFZSA-N 354.446 4.932 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c1ccc(C)c3C)CC2=O 587492555 RCYOKJVEUTUMTG-QHCPKHFHSA-N 366.457 4.995 0 1 FJAF CC(C)(C)c1[nH]c2c(C(=O)O)cccc2c1C(=O)Nc1ccc(F)cc1F 587637993 SCWSWXRSWPEMTC-UHFFFAOYSA-N 372.371 4.694 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccccc23)N1 587758652 RHQLNYSSRAMEQL-JEOXALJRSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817416 KZLKBRJMNULWKR-KKQOZKNRSA-N 352.291 4.774 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587820422 PFFSRPRHHRGPBB-PRFADMHUSA-N 350.275 4.550 0 1 FJAF CCCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587825551 APGWJYBCYHMTQD-QGHHPUGFSA-N 352.247 4.757 0 1 FJAF Cc1nn(CCc2nc(-c3ccc(F)c(F)c3)cs2)c(C)c1Cl 587922192 LOPGGBBDBCUMHT-UHFFFAOYSA-N 353.825 4.798 0 1 FJAF COc1ccc(CC(=O)Nc2ccc3[nH]c(-c4ccc(C)cc4)nc3c2)cc1 1857608763 DUVOEPHRXDIBCD-UHFFFAOYSA-N 371.440 4.728 0 1 FJAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCCC2CCCCC2)C1 13782840 YWVSSQLUZFXDNG-QFIPXVFZSA-N 355.522 4.925 0 1 FJAF Cn1c2ccccc2c2cc(CNC(=O)Nc3cccc4[nH]ncc34)ccc21 14973582 QJPAPVJGMCYWAF-UHFFFAOYSA-N 369.428 4.530 0 1 FJAF Clc1ccc(C(c2ccc(Cl)cc2)(c2ncc[nH]2)n2ccnc2)cc1 27433669 XLUUKUXFWBTTMH-UHFFFAOYSA-N 369.255 4.753 0 1 FJAF Cn1nccc1C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 36322783 VHPGMNFYRNXNDD-JAWHIUDQSA-N 352.522 4.737 0 1 FJAF Clc1ccc2[nH]c(-c3ccccc3OCCN3CCCCC3)nc2c1 43079967 IDIIRZSOMQVODC-UHFFFAOYSA-N 355.869 4.748 0 1 FJAF C[C@@H]1CCCCN1CCCNCc1coc(-c2cccc3ccccc23)n1 72102296 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COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2c1 587153158 WPNAUKOFHIFJQP-MNOVXSKESA-N 362.763 4.552 0 1 FJAF Cc1ccnc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587337699 MKRVKJDUUFUTBH-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF Cc1ccoc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347255 ATDLSIFYHOGZNY-RXVVDRJESA-N 352.361 4.707 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1C(F)(F)F)O2 587381432 IVDYMMWVUIFGRP-HNNXBMFYSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1C(F)(F)F)O2 587383543 YGNAXNQYGAHXCM-AWEZNQCLSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc3c(c1)CCCC3)O2 587397971 ZKTRODDWPSMYIV-OAQYLSRUSA-N 373.456 4.553 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418933 FEZFRLNAQJRKPL-UGSOOPFHSA-N 366.310 4.516 0 1 FJAF Nc1cccc(Br)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501868 ZDXGXMJDLWNYAV-KRWDZBQOSA-N 372.262 4.617 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587553396 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4.759 0 1 FJAF Fc1cccc2c1[C@@H](c1ccccc1OCc1cccnc1)N1CCC[C@H]1C2 963117425 YRQFJJZNUVJRIM-YADARESESA-N 374.459 4.910 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@H]1C[C@H]1c1ccc(Cl)cc1 963608649 LLQBLQQGQUBXGR-LEYVPELOSA-N 357.881 4.736 0 1 FJAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1CCC(C)=C[C@@H]1O)[C@](C)(O)CCC=C(C)C 2356659997 APHIXPILELNTEX-GLOJMNGXSA-N 366.542 4.549 0 1 FJAF CCCCC[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)OC 2356732567 ITRBVGLWLFOKTQ-FHWLQOOXSA-N 352.515 4.593 0 1 FJAF Cc1ccc(CN(C[C@@H](O)CNc2cccc3cc[nH]c23)C(C)(C)C)cc1 2382224639 WUSQIJKFOQKYRV-FQEVSTJZSA-N 365.521 4.550 0 1 FJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1cccc(OC)c1 13680327 XWJPQPYTEYFHPM-UHFFFAOYSA-N 357.431 4.513 0 1 FJAF Cc1cccc(C)c1Nc1ncc(-c2ccc(N(C)C)cc2)n2cncc12 28641763 VVCRTDDAJFLIBC-UHFFFAOYSA-N 357.461 4.823 0 1 FJAF Cc1ccccc1CN1CCC(NC(=O)c2cccc3ccccc23)CC1 28821366 QOWCJLPVORHIJU-UHFFFAOYSA-N 358.485 4.543 0 1 FJAF CN1Cc2cc(-c3cnccn3)ccc2[C@@H](c2cc3ccccc3s2)C1 35791098 SHZIVSOSKOIXMU-IBGZPJMESA-N 357.482 4.936 0 1 FJAF CSc1ccc(CNC(=O)c2sc3nc(C)cc(C)c3c2C)cc1 65758805 LEJCXZHYDVKREP-UHFFFAOYSA-N 356.516 4.873 0 1 FJAF CCCCc1ccc(-c2nc(CNCCCN3CCCCC3)co2)cc1 72186055 QYMDFWHKJAGSMJ-UHFFFAOYSA-N 355.526 4.650 0 1 FJAF Cc1c(COCc2ccccc2)oc2cccc(OC3CCNCC3)c12 95557290 HLXLCGZDGHZPHU-UHFFFAOYSA-N 351.446 4.589 0 1 FJAF CC1(C)C[C@H]2[C@H](CCCN2C(=O)c2ccc3[nH]cnc3c2)c2ccccc21 117630795 CQGCKSUZPDACJW-UTKZUKDTSA-N 359.473 4.633 0 1 FJAF Oc1c2c(c(O)n1-c1ccc(Br)c3ccccc13)[C@@H]1CC[C@@H]2O1 169727204 NVZRQPOODWWJLH-KBPBESRZSA-N 372.218 4.710 0 1 FJAF C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CCCC(C)(C)O 238737017 MEFXRGFYZHLJTK-RIYZIHGNSA-N 356.418 4.806 0 1 FJAF Cc1cccc(CNc2cc3c(cc2O)[C@H](c2ccccc2)CN(C)CC3)c1 299824472 BJSBCWNGMVPHTE-QHCPKHFHSA-N 372.512 4.933 0 1 FJAF Fc1cc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1-n1cccn1 587027713 HENBFXSQQGUVPZ-UHFFFAOYSA-N 361.405 4.678 0 1 FJAF CC(=O)c1ccc2nc(COc3ccccc3C3SCCS3)[nH]c2c1 587038559 ANYTZYVBALIKAB-UHFFFAOYSA-N 370.499 4.823 0 1 FJAF COc1cccc(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587097930 QSYCWTABCAEMMB-UHFFFAOYSA-N 366.420 4.749 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587148398 CQGVGGNAWAOVRU-FQEVSTJZSA-N 357.392 4.780 0 1 FJAF CCOC(=O)CCCOc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1 587211231 CVGAXCAEWWOBQH-UHFFFAOYSA-N 361.441 4.723 0 1 FJAF Cc1ccc(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1N 587250948 UKVNAVIEMFFOIM-UHFFFAOYSA-N 357.457 4.818 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccco1)O2 587378243 NFBBDJABPCCJLJ-FQEVSTJZSA-N 353.805 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(OC)cc31)CC2=O 587477899 KIAACTNQMFJYDO-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1[nH]c1c(C)cccc31)CC2=O 587478156 AKJDSOALXQKUQO-QHCPKHFHSA-N 361.441 4.941 0 1 FJAF Cc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587725385 CXOPWWMXHZTULT-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF COc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783419 AOXQNXYKKUUUBG-LCYFTJDESA-N 357.413 4.716 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccoc1 587859515 XRXMHWZLBZKYTA-UHFFFAOYSA-N 351.189 4.537 0 1 FJAF CC[C@H](C(=O)n1nc2cc1Oc1ccc(F)cc1-2)n1nc(C)c(Cl)c1C 587873914 LPRSHMNILHKHKS-CQSZACIVSA-N 374.803 4.553 0 1 FJAF C[C@@H]1CCc2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)sc2C1 587875160 AWYSCJIPBQCHQN-SNVBAGLBSA-N 354.406 4.670 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)cc(OC)c3[nH]2)cc1 587938480 WKDXXDDQHPNKFS-OAQYLSRUSA-N 374.440 4.769 0 1 FJAF Cc1sc2c(c1C)CCN[C@]2(CCCC(=O)O)c1cccc(Cl)c1 963013844 SDHZYXUVNSHJCQ-LJQANCHMSA-N 363.910 4.663 0 1 FJAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@@H](c2ccc(Cl)s2)C1 963129523 GFNZCOPKQDHQTG-BLVKFPJESA-N 361.894 4.799 0 1 FJAF COc1ccc([C@]2(Cc3ccccc3)NCCc3cc(Cl)ccc32)cc1 963380639 LRUXXKUYFALPSA-QHCPKHFHSA-N 363.888 4.981 0 1 FJAF Fc1cccc(CNc2nc(C(F)(F)F)nc3sc4c(c23)CCC4)c1 1857548256 BHYQQVHSLHKFSR-UHFFFAOYSA-N 367.371 4.950 0 1 FJAF Cn1c(C[C@@H](OC(C)(C)C)C(=O)O)c(-c2ccccc2)c2ccccc21 1857562499 UUMJQTQINGFTLL-LJQANCHMSA-N 351.446 4.656 0 1 FJAF CCN=c1nc(-c2sc(-c3ccc(C(C)(C)C)cc3)nc2C)cc[nH]1 1857650427 XICNOKNWQJJPOY-UHFFFAOYSA-N 352.507 4.727 0 1 FJAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@@H](O)[C@]1(C)C=C(O)C(=O)O1 2356865599 WCQMJODEMARIPM-CIBWYJFOSA-N 360.494 4.792 0 1 FJAF Cc1ccsc1CNc1ncnc2ccc(-c3c(C)noc3C)cc12 13828611 YSAGHWABSVWJSK-UHFFFAOYSA-N 350.447 4.884 0 3 FJAF Cc1ccccc1-c1cc2nc(Nc3ccc(F)cc3)n(C)c(=O)c2s1 61904988 WHUYAXRYWGVSFO-UHFFFAOYSA-N 365.433 4.853 0 3 FJAF CCCc1c(Cc2cccc(F)c2)ncn1CCc1ccccc1OC 198627452 CWYULOZAFIZKLU-UHFFFAOYSA-N 352.453 4.817 0 3 FJAF COc1ccc2c(c1)[C@H](n1cccc1)C(=O)N2Cc1ccc(C(C)C)cc1 206026590 JSAUOSIYIPAUHO-QFIPXVFZSA-N 360.457 4.756 0 3 FJAF O=C(CCc1cn(Cc2ccccc2)c2ccccc12)NCc1ccccc1 2911991 FAPPWBSGIHWNKG-UHFFFAOYSA-N 368.480 4.939 0 1 FJAF CCCN(CCC)C(=O)Cc1c(-c2ccccc2)nc2ccc(Cl)cn12 13765509 BEHDVQNYCZMGCM-UHFFFAOYSA-N 369.896 4.846 0 1 FJAF CCCCN(CC)c1nc(C)nc(N(CC)c2c(C)cc(C)cc2C)n1 13794554 CYFBYLCOFIGWES-UHFFFAOYSA-N 355.530 4.890 0 1 FJAF c1ccc(CCN2CCC3(CC2)Oc2ccccc2[C@@H]3n2cccc2)cc1 29318166 TXVBDOAZLZDQQB-QHCPKHFHSA-N 358.485 4.547 0 1 FJAF C[C@]1(c2cccc(Br)c2)ON=C(c2ccccc2Cl)O1 40951770 NLLIEHXGJJLHDT-OAHLLOKOSA-N 352.615 4.684 0 1 FJAF Cc1cccc(C)c1CCc1cc(-n2ccccc2=O)cn2c(C)c(C)nc12 40976018 XHVSEFQNZWHSNK-UHFFFAOYSA-N 371.484 4.504 0 1 FJAF NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCCCCC3 49072109 ZQGFAHWTQSCDJF-UHFFFAOYSA-N 369.490 4.677 0 1 FJAF CSc1ccc(C[C@]2(O)c3ccccc3-c3nc4cc(C)ccc4n32)cc1 72123499 DHRSGKXWURBWNF-QHCPKHFHSA-N 372.493 4.983 0 1 FJAF CO/C(=C\c1ccc(Br)cc1)C(=O)Nc1ccc(Cl)cc1 82156941 RJIDKGYVDBNXHS-GDNBJRDFSA-N 366.642 4.729 0 1 FJAF Nc1nc(Nc2ccccc2)sc1C(=O)c1cccc(C(F)(F)F)c1 95920875 DMSXJUBZGKCYAA-UHFFFAOYSA-N 363.364 4.719 0 1 FJAF in-vitro CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccs1 100703707 PSUHFIPCBAVEJB-AWEZNQCLSA-N 373.503 4.960 0 1 FJAF OC[C@@H]1CC[C@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 144255578 NJDTZXUHOKCZAJ-SJORKVTESA-N 361.445 4.889 0 1 FJAF Cc1cccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)c1 169315635 DCCIBUPSLSMHHL-FYZZASKESA-N 369.892 4.820 0 1 FJAF Cn1c(O)nc([C@H]2CC[C@@H](c3ccccc3)CC2)c(Cc2ccccc2)c1=O 254133039 RZWVLFBRJYIAKV-BGYRXZFFSA-N 374.484 4.518 0 1 FJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587069296 ICCRPVYNECILQU-JTQLQIEISA-N 371.765 4.659 0 1 FJAF C[C@@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1C(F)(F)F 587098033 PBDVPTCOTYGXCK-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(F)c2)c(F)c1 587152461 NXBGNXHZGVSIJO-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1ccccc1[C@@H]3C(=O)O 587207008 OPFIDGQJFHIKLF-FQEVSTJZSA-N 363.372 4.643 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3cc4c(cc3[nH]2)OCO4)c1 587241175 PSUBTCBYDGCNLX-UHFFFAOYSA-N 372.428 4.901 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4C)o1)[C@@H](C2)C3=O 587423949 LXYKSESCAJDLKS-NYHFZMIOSA-N 364.372 4.891 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1cccc(C)c1)(c1cccc(F)c1)[C@@H](C2)C3=O 587429029 RNGSWBLEHSSORQ-RDPSFJRHSA-N 374.411 4.834 0 1 FJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O 587497861 LHDLCOCHKCVJSV-QGZVFWFLSA-N 358.821 4.640 0 1 FJAF Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587567388 HLARHNBCEUEMGH-GCJKJVERSA-N 364.372 4.717 0 1 FJAF CC1(C)Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604525 USVNKGDJFFZWIH-HYBUGGRVSA-N 372.420 4.832 0 1 FJAF Cc1cc2ccc(Cl)cc2nc1-n1ncc2ccc(Cl)cc2c1=O 587652133 WXYILPSEUJGBNA-UHFFFAOYSA-N 356.212 4.549 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587716959 KDMWNNNBAPBDGK-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C(C)C)c1 587872958 UIVUZGNCZUPOIA-UHFFFAOYSA-N 358.438 4.961 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@H]2c2ccc(F)cc2)CC1 1857589995 XTZOWCVPOQNSNK-UWJYYQICSA-N 373.899 4.956 0 1 FJAF O=C(Nc1cc(Br)cc2cccnc12)c1cccc(Cl)c1 1021482 GGFFXLXHXZKIIP-UHFFFAOYSA-N 361.626 4.903 0 1 FJAF CC(C)(C)c1ccc(OCCOc2ccc(C(C)(C)C)cc2N)c(N)c1 1860415 VCHBKHLVWXUWFZ-UHFFFAOYSA-N 356.510 4.904 0 1 FJAF Cc1cc(C)cc(-n2cnc3cc(C(=O)N[C@H]4CCCC[C@H]4C)ccc32)c1 3025792 HDKIIYBKLFFERU-XLIONFOSSA-N 361.489 4.951 0 1 FJAF CCn1c2ccccc2c2cc(N(C)C(=O)CCc3ccncc3)ccc21 13475341 WKPMXAVSUXUVNO-UHFFFAOYSA-N 357.457 4.805 0 1 FJAF CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21 13835649 NXXKPCNTNLASCC-MEDUHNTESA-N 352.261 4.807 0 1 FJAF Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc[nH]3)C2)cc1 28653530 XRNLPBGOTLBDNT-HXUWFJFHSA-N 360.486 4.871 0 1 FJAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccc(O)c(C)c2)cs1 28771190 AJSYBKYHONVGMK-UHFFFAOYSA-N 361.517 4.559 0 1 FJAF C[C@H]1CC(C[C@@H]2CCC[C@H]3C[C@H](C)C[C@H](C)N23)=C2CCCN(C=O)[C@H]2C1 38824370 LVMYTUVZAGMIBH-KOVPLRSCSA-N 358.570 4.765 0 1 FJAF CC(C)c1cc(Nc2cccc(Cl)c2)ncc1C(=O)NC1CCOCC1 40873147 GTWAEQRGBKIVJZ-UHFFFAOYSA-N 373.884 4.511 0 1 FJAF CN(C)CC[C@]1(c2ccc(Cl)c(Cl)c2)Cc2ccccc2C(=O)O1 53246946 QBJYSKLVDCDUGF-LJQANCHMSA-N 364.272 4.554 0 1 FJAF N[C@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 53298302 CAZPUPYLGDBILQ-HNNXBMFYSA-N 373.378 4.920 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2O[C@H]1C(F)(F)F 66101378 JDTBZAHAUIUATQ-OAHLLOKOSA-N 370.710 4.504 0 1 FJAF Cc1cc(C)cc(-c2cc3cc(C(C)(C)CO)ccc3n2C[C@@H](C)O)c1 66251754 SENSSHKTWUNSLH-QGZVFWFLSA-N 351.490 4.576 0 1 FJAF Cc1ccccc1-c1ccc([C@@H]2[C@H]3CN(C(=O)C4CCCCC4)C[C@@H]2N3)cc1 100102031 CQUORXFBLRJTIQ-BKFWDETESA-N 374.528 4.509 0 1 FJAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@@H]1N2C 100958523 ARDZHBGLAMKFGJ-RMHZUWNSSA-N 356.293 4.511 0 1 FJAF Cc1nc(N[C@H](C)c2cccc(O)c2)cc(-c2ccc3ncsc3c2)n1 205331188 ZLRZWACBORKTDK-GFCCVEGCSA-N 362.458 4.940 0 1 FJAF C=C(C)[C@H]1CC/C(C)=C/CC[C@H](C)C(=O)CC/C(COC(C)=O)=C\[C@@H]1O 206553388 DQDFFUHFUMDNQS-NGWGEBDHSA-N 362.510 4.535 0 1 FJAF C[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C(F)F)c1)c1ccccc1F 223845908 QJSCJJBTPAPBQB-LLVKDONJSA-N 359.351 4.644 0 1 FJAF Nc1cnc(-c2ccc(-c3ccc(C(F)(F)F)cc3F)cc2F)cn1 224829964 ULPJMPAAQXPBQJ-UHFFFAOYSA-N 351.278 4.690 0 1 FJAF CCSC[C@H](Cn1cnc2ccccc21)C(=O)c1ccc(Cl)cc1 473108245 LLLSXFGULSUVFY-HNNXBMFYSA-N 358.894 4.942 0 1 FJAF CCC(C)(C)c1ccc(-c2nc3cc(N4CCN(C)CC4)ccc3[nH]2)cc1 586882144 UZYJWZGYVSJDFW-UHFFFAOYSA-N 362.521 4.669 0 1 FJAF COc1cccc(-c2ccc(-c3nc4cnc(Cl)[nH]c-4n3)c(Cl)c2)c1 587052598 XLMOCSIVDCRIKI-UHFFFAOYSA-N 371.227 4.954 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2c1 587061146 BHCBGUUYFKOJEB-KRWDZBQOSA-N 372.852 4.852 0 1 FJAF COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1C 587135173 USZYANZWJGZSAE-ARJAWSKDSA-N 354.278 4.746 0 1 FJAF Cc1ccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587146859 YTIVNIAETHWFEK-PLNGDYQASA-N 366.621 4.992 0 1 FJAF COc1c(Cl)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Cl 587375410 MQNAXQOOKAHGSL-OAHLLOKOSA-N 352.217 4.599 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3ncccc3O)C1)CC2=O 587488616 QZNWPMONGGNRCV-FPTDNZKUSA-N 367.445 4.507 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1CCCC2 587603618 QHKUZRYCOCONBN-QPPBQGQZSA-N 372.420 4.974 0 1 FJAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2ccc([C@@H](C)CC)cc12 587642735 OMWOABFCHFKQIB-ZDUSSCGKSA-N 374.481 4.883 0 1 FJAF CC1=C(C)C[C@](C)([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962975951 NMVLVTHMFYAIFL-POZUXBRTSA-N 369.839 4.785 0 1 FJAF CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2cccnc21 1857543402 SAFZAUGCOLHROE-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF Clc1ccc(Cn2c(-c3cscn3)nc3c(Cl)cccc32)cn1 1857621186 DCGAHTOWJJPYRC-UHFFFAOYSA-N 361.257 4.910 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccccc2)cc1 1857760604 KMEVTHHMQHAIQF-SAPNQHFASA-N 356.469 4.971 0 1 FJAF CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356318419 OTTUKNSDVUSPGW-CCOVMOLUSA-N 350.449 4.969 0 1 FJAF CC[C@H]1CN2CC[C@H]1C[C@H]2CN(Cc1cccs1)Cc1cccs1 2356622817 MYOIPDGUFFUSBD-BZSNNMDCSA-N 360.592 4.932 0 1 FJAF CC1=C(C(=O)O)[C@H](CCCCCCCCCCCC[C@H](C)CO)OC1=O 2356819701 FEGXSCTZZUZMJG-WMZOPIPTSA-N 368.514 4.623 0 1 FJAF CCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1F 2382221060 LCNJMIDGXLYLCP-UHFFFAOYSA-N 371.408 4.912 0 1 FJAF O=C(N=c1ccn(Cc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 2382228791 GMJSWLOYSXUOJV-UHFFFAOYSA-N 364.448 4.945 0 1 FJAF Oc1cccc(COc2ccc(Cl)cc2OCc2cccc(O)c2)c1 2382258010 QGYJWWKYCMGGMP-UHFFFAOYSA-N 356.805 4.909 0 1 FJAF COc1cccc(-c2cccc3c2NC(=O)[C@]3(C)Cc2ccccc2F)c1 61930453 YMOFBTFZMCUMSE-HSZRJFAPSA-N 361.416 4.954 0 3 FJAF O=C(NCc1ccccc1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773784 IAOXPGFWWUXETD-UHFFFAOYSA-N 362.360 4.671 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)c(F)c(F)c3)cn12 3948379 LSVSRXQCNHLTNR-UHFFFAOYSA-N 358.323 4.592 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1nccs1)CC2 4222619 PQVPKGFOQMPDCF-GOEBONIOSA-N 372.534 4.928 0 1 FJAF biogenic CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@H]1C(=O)N(C)C 4295594 PQXKPWPKHQGQIL-SFTDATJTSA-N 352.478 4.942 0 1 FJAF CC(=O)O[C@H]1CC(C)(C)[C@@H]2CC(=O)c3cc(C(C)C)c(O)cc3[C@@]2(C)C1 13480885 LVRUFBJYFAGDRK-PRPYNDMISA-N 358.478 4.728 0 1 FJAF biogenic,in-vitro C[C@@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 29335435 HRDNTAOYDUQZEY-ZBEGNZNMSA-N 364.674 4.903 0 1 FJAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccccc1Cl 39233060 NBOBBJNLFHXYCJ-KRWDZBQOSA-N 361.228 4.788 0 1 FJAF CSc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Cl)cc12 101335544 LEYWSAVZBHNGAB-SCLBCKFNSA-N 360.866 4.832 0 1 FJAF O=c1oc(COc2ccc(Cl)cc2Cl)nc2cccc(Cl)c12 103179515 WSPPNDPYJPDSFM-UHFFFAOYSA-N 356.592 4.727 0 1 FJAF O=C(CCNC12CC3CC(CC(C3)C1)C2)c1ccc(Br)cc1 169332236 AFPXPRGYAOEEEP-UHFFFAOYSA-N 362.311 4.580 0 1 FJAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(-c5ccccc5)n4)cc23)cc1 197931509 JAXHOAMUEIQIHI-UHFFFAOYSA-N 355.376 4.821 0 1 FJAF CC1=C[C@@H](OC(=O)/C=C/c2ccccc2)[C@@]2(C)C=C[C@H](C(C)C)[C@@]2(O)CC1 238766479 CSTQRRVKUOEJIE-OUGOUTLESA-N 366.501 4.931 0 1 FJAF CCCOc1cc2nc([C@@H]3CCCO[C@@H]3CC)[nH]c2cc1Br 586910307 HPXXVPVAYZMKNR-IAQYHMDHSA-N 367.287 4.787 0 1 FJAF Fc1cc(F)c2[nH]c(COc3ccc(Cl)cc3Br)nc2c1 586976066 CCLWAATVUGZEEI-UHFFFAOYSA-N 373.584 4.836 0 1 FJAF Clc1cc2ccc(-c3nc4cc(Br)ncc4[nH]3)cc2cn1 587085486 WGSNRRPOBMLDBA-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@@H](C)C1 587108226 XPNDQGNNCPLTTI-KBPBESRZSA-N 371.436 4.675 0 1 FJAF COc1cc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2cn1 587127775 APRJDKSCPWENCX-UHFFFAOYSA-N 358.373 4.695 0 1 FJAF Cc1ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2c1C 587202902 ICDJDLCHEWGWTK-UHFFFAOYSA-N 364.449 4.697 0 1 FJAF CCOC(=O)[C@H](Cc1cccc(Cl)c1)c1cc2c3c(cccc3n1)CC2 587209625 UXJXNSPTQNDGHK-GOSISDBHSA-N 365.860 4.876 0 1 FJAF C[C@H](CC(=O)c1c(CO)oc2cc(Br)cnc12)CC(C)(C)C 587272792 BOGWUNFLDCPDRQ-SNVBAGLBSA-N 368.271 4.728 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccc(N(C)C)cc21 587387604 QKVQGQJQJZFSRU-DEOSSOPVSA-N 370.452 4.533 0 1 FJAF COc1ccc(-c2ccccc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587399360 KMQLHBIMZRTTCF-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF COc1cccc([C@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587403423 LZOXVZJIBSUIJG-GCJKJVERSA-N 351.446 4.648 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(O)c4)cc1)[C@@H](C2)C3=O 587452386 UDXUCLCVRWXQFY-CVDCTZTESA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)([C@H](C)c1ccc(OC)cc1)CC2=O 587476762 FSLURDBVTBPUKH-PEBXRYMYSA-N 354.446 4.881 0 1 FJAF Cc1nnc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587525555 MVERQAAHYZRDRZ-FQEVSTJZSA-N 360.413 4.630 0 1 FJAF C[C@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587529258 MMNYDUPYMNOZFA-BRIHMALLSA-N 366.501 4.621 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587553708 HCPVXCNEJIQTJA-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cc(F)ccc23)cc1 587634323 YUGHDGDDAZDKNY-UHFFFAOYSA-N 351.299 4.956 0 1 FJAF O=C(c1cccc(Cl)c1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587639126 WAIKPTYCRSHUMI-UHFFFAOYSA-N 367.710 4.769 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2O)N1 587832950 LJFRUIMXOAPXKT-OSXSJPMVSA-N 362.242 4.583 0 1 FJAF CCOc1ccc([C@H]2NCCc3cnc4c(OC)cccc4c32)c(Cl)c1 963044829 DPCAINGSOVBYNJ-OAQYLSRUSA-N 368.864 4.531 0 1 FJAF Nc1ccc(-c2ccc3c(C(=O)Nc4cccc(F)c4)cc(O)nc3c2)cc1 1857747968 JIIPAIYHURWIOF-UHFFFAOYSA-N 373.387 4.581 0 1 FJAF CNc1nc2cnc(Nc3ccc(C(F)(F)F)cc3)cc2n1CC1CC1 74388796 QWMAUZMLWDZQNR-UHFFFAOYSA-N 361.371 4.645 0 3 FJAF O=c1cccccc1NCCCCCCCCCNc1cccccc1=O 1613631 LDVBSTOUEDMXDV-UHFFFAOYSA-N 366.505 4.662 0 1 FJAF CC(C)(C)c1ccc(NC(=O)c2nscc2NCc2ccncc2)cc1 40404121 SLKBRIIMEDRSRH-UHFFFAOYSA-N 366.490 4.700 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(-c4cn[nH]c4)cc3s1)CO2 49792557 BUHWXYZRRBOVCK-CYBMUJFWSA-N 351.406 4.544 0 1 FJAF Cc1ccc(/C(=C2/C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84732810 AZNGFFNFDFXUHN-MRCUWXFGSA-N 351.409 4.783 0 1 FJAF COc1ccc([C@@H]2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1 96142514 LNLOREVTGJHTNX-FQEVSTJZSA-N 365.429 4.754 0 1 FJAF CCOC(=O)[C@H](c1ccccc1)C(c1ccc(O)cc1)c1ccc(O)cc1 96931878 KTXKFXVYUJCGDX-JOCHJYFZSA-N 362.425 4.577 0 1 FJAF COc1ccc([C@H]2c3ccccc3[C@@H](c3ccc(OC)cc3)[C@@H]2C(=O)O)cc1 100742356 FZNLSLGOBKSDLA-JKHIJQBDSA-N 374.436 4.682 0 1 FJAF Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144786250 YIWMNGFLSFBMIF-KRWDZBQOSA-N 364.754 4.519 0 1 FJAF O=C(CCCCCCCCCCc1ccccc1)[C@@H]1C(=O)[C@@H](O)CC=C1O 238731412 OTCZFMJSCRSWHW-VXKWHMMOSA-N 372.505 4.701 0 1 FJAF CSc1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2c1 587005972 CLBPDNQAPARHRE-UHFFFAOYSA-N 358.264 4.967 0 1 FJAF Oc1c(Br)ccc2nc(CSCc3ccsc3)[nH]c12 587027512 RNEOQZQQPLMRCA-UHFFFAOYSA-N 355.282 4.526 0 1 FJAF Cc1ccc2nc(-c3ccc(NC(=O)Cc4ccccc4C)cc3O)[nH]c2c1 587240150 GDZXGBDYKZSVEP-UHFFFAOYSA-N 371.440 4.734 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(/C(=C\N(C)C)c1ccc(Cl)cc1)O2 587376004 BKUUTLGEVMMYAJ-ZIBIDDQLSA-N 370.880 4.557 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(Cl)cc3)on1)O2 587379779 KXZRZWGVQKBPFK-GOSISDBHSA-N 354.793 4.592 0 1 FJAF COc1ccc2c(c1)cc([C@@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C 587514006 DCKUXNICAPZLKE-QFIPXVFZSA-N 361.441 4.772 0 1 FJAF CC(C)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587523192 NYMNIVJIEWTUKP-JOCHJYFZSA-N 366.457 4.551 0 1 FJAF Nc1ccc2[nH]c3c(c2c1)CCC[C@]31CC(=O)c2ccc3c(c2O1)CCCC3 587526973 SLHVZPPJQJCRKD-DEOSSOPVSA-N 372.468 4.826 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cc[nH]c23)N1 587802304 KXDLFQWGNWNAQL-NSPYISDASA-N 373.269 4.867 0 1 FJAF COc1cccc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810057 WFCSTDUXLQISNY-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587818872 GDDDQBNJRASUAR-RDXCRGQUSA-N 374.297 4.948 0 1 FJAF C[C@@]1(C(c2ccccc2)c2ccccc2)NCCc2c(C(=O)O)cccc21 963134277 DMILNCXPWUABMG-XMMPIXPASA-N 357.453 4.578 0 1 FJAF CCc1nc2nc(N3CCCC3)sc2c(-c2ccc(OC)cc2)c1C 1857552784 AWRABOKLECKYSS-UHFFFAOYSA-N 353.491 4.838 0 1 FJAF CC1=C[C@H](CNCC(C)C)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356287104 ZWQSQNCXZBFYLO-OTWHNJEPSA-N 354.542 4.601 0 1 FJAF CC1=C[C@H](CN(C)Cc2ccccc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356316415 HZUFJHNPEQMTJR-BHDDXSALSA-N 367.537 4.907 0 1 FJAF CC1=C[C@@H]2C(C)(C)CC(=O)[C@@]2(C)[C@@H](COc2ccc3ccc(=O)oc3c2)C1 2356760151 FUBRDSMBDLGQMF-HFXUHXBXSA-N 366.457 4.760 0 1 FJAF O=C(Nc1ccccc1-c1nc2ccccc2o1)c1ccc2c(c1)OCCO2 2483667 OCABSRBQZYMDOP-UHFFFAOYSA-N 372.380 4.518 0 3 FJAF Cc1nc2c(-c3ccc(Cl)cc3)c(C)[nH]n2c(=O)c1Cc1ccccc1 100468244 MSAWMUHBHIFPHD-UHFFFAOYSA-N 363.848 4.551 0 3 FJAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2cccs2)/C1=C(\O)OC(C)C 852209 IPXBIJBWBKOEEQ-PQMNFKMDSA-N 363.479 4.726 0 1 FJAF N[C@H](CCCCCCCCCCc1ccccc1)CCP(=O)(O)O 27095634 KARRQFDDSYYFAE-LJQANCHMSA-N 355.459 4.635 0 1 FJAF CC(C)COc1ccccc1/C(=C/CN(C)c1ccccc1)n1ccnc1 28764782 SHXPPVISWTTWTN-XKZIYDEJSA-N 361.489 4.944 0 1 FJAF COc1cc(-c2nccn2-c2ccc3ccccc3c2)cc(OC)c1OC 35982763 QHLHXSSILZPKFF-UHFFFAOYSA-N 360.413 4.718 0 1 FJAF CCn1c2ccccc2c2ccnc(-c3cc(OC)c(OC)c(OC)c3)c21 40952082 TZOVCKOKSRDJBR-UHFFFAOYSA-N 362.429 4.902 0 1 FJAF O=C(Nc1ccccc1-n1cccn1)c1cccc2c1Cc1ccccc1-2 45366678 XAJHWIHGYYDRGF-UHFFFAOYSA-N 351.409 4.696 0 1 FJAF Fc1cccc(NCn2nc(-c3ccc4ccccc4n3)oc2=S)c1 95593628 RUBMXQDWPLCXCA-UHFFFAOYSA-N 352.394 4.629 0 1 FJAF CCC(=O)c1cccc(-c2cccn3nc(Cc4ccccc4OC)nc23)c1 96169549 VNXAJZGZAAIHAU-UHFFFAOYSA-N 371.440 4.588 0 1 FJAF CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1 96270674 BEWDVGPOPIFWLH-UHFFFAOYSA-N 354.538 4.645 0 1 FJAF O=c1[nH]c2cc(-c3cccnc3)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270715 WCVGPCAQEVCGQB-UHFFFAOYSA-N 372.815 4.787 0 1 FJAF CC(C)[C@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 103171130 FHKOPCNJTXKKFQ-VIFPVBQESA-N 364.346 4.705 0 1 FJAF CCc1ncc(Cc2cnc3ccc(O)cc3c2)c2cc(OC)c(OC)cc12 145117142 NSIKMVUOSPVNEW-UHFFFAOYSA-N 374.440 4.659 0 1 FJAF Cc1ccc(Oc2cc([C@@H](O)C[C@H]3CCCCN3)c3ccccc3n2)cc1 169338129 DDWHUXUCJDQHDD-VGSWGCGISA-N 362.473 4.901 0 1 FJAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1ccc(F)cc1 206938163 JWYKHGJPMWWMFD-UHFFFAOYSA-N 355.344 4.583 0 1 FJAF Clc1cnc2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1Cl 587017079 HJJCNKPBQMSHJV-UHFFFAOYSA-N 351.218 4.572 0 1 FJAF Cc1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587060983 XXRGWIIWAACZOM-UHFFFAOYSA-N 350.647 4.899 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4ccc(CCO)cc4[nH]3)c2)c1 587160506 UEZICURKHDJEBC-UHFFFAOYSA-N 362.404 4.579 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(F)c3C)o1)O2 587382160 OXIADSQSYYFSHI-HXUWFJFHSA-N 351.377 4.991 0 1 FJAF CCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399720 JMMKZJGMJBEKJH-FQEVSTJZSA-N 369.461 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccco3)s1)CC2=O 587495119 NNSQTDRBBLNRQZ-MRXNPFEDSA-N 355.415 4.768 0 1 FJAF O=C1C[C@@]2(C=COc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587498091 CUHCQBJRSKLOQT-OAQYLSRUSA-N 352.817 4.986 0 1 FJAF Cc1cc(C)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587528947 GZDYNOUZHYOWGA-HXUWFJFHSA-N 350.414 4.587 0 1 FJAF Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587589154 NUECNPQXJFVIEX-REWPJTCUSA-N 371.392 4.885 0 1 FJAF Cc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650571 ZQMKLBKECUBOCL-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF Cc1ccc(-c2csc([C@H](C)CNC(=O)c3ccccc3)n2)cc1C 587920726 LUJUAHBQFGIBKT-MRXNPFEDSA-N 350.487 4.960 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3cccc(OC)c3F)nc(C)n2)c1 653762263 UGKHUVLVEXFIJL-ZDUSSCGKSA-N 367.424 4.781 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(-c3noc(C)n3)c2)N1 962950616 RWPBCEUYHBZLMB-OXQOHEQNSA-N 358.445 4.540 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@@H]2c1n[nH]c2cc(Br)ccc12 963729650 KFXMOPFVTMBLHM-SFHVURJKSA-N 366.262 4.588 0 1 FJAF CC=Cc1ccc(O[C@@H](C)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 2356451975 YRLPIFOGCBUSPJ-QKKBWIMNSA-N 358.434 4.598 0 1 FJAF CO[C@@H]1CCN=C(C(=O)O)C1=Cc1cc(C)c2cc(C(C)C)ccc(C)c1-2 2356789109 CWUSAPUQUKTHED-HXUWFJFHSA-N 365.473 4.859 0 1 FJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3F)CC3(CC3)C2)cc1 3814742 RBZISARSXQPWLZ-UHFFFAOYSA-N 360.425 4.853 0 1 FJAF COc1ccc2c(c1)O[C@@H]1c3ccc(OC)c(CC=C(C)C)c3OC[C@H]21 15115204 YOKYSHXYBLMBOT-XMSQKQJNSA-N 352.430 4.822 0 1 FJAF biogenic CC(C)Oc1ccc2ncnc(Nc3cccc(Br)c3)c2c1 26186911 SQQRSSJRLYYLOR-UHFFFAOYSA-N 358.239 4.923 0 1 FJAF OCc1cc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)ccc1F 117923234 IWVBTIDUPDQGGQ-UHFFFAOYSA-N 352.796 4.953 0 1 FJAF Cc1cc(Nc2ccc(F)cc2)nc(SCc2nc3ccccc3[nH]2)n1 169349031 QLPQJDAFTXMKPG-UHFFFAOYSA-N 365.437 4.836 0 1 FJAF C/C1=C\CC[C@](C)(O)/C=C\[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 238736401 AVRRAMZPNSQDIW-JGPYKVAUSA-N 358.478 4.627 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c(O)cccc3F)nc3ccc(O)c1c23 586985108 AQGPZOQXWVXIGA-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF Cc1nn(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c(C)c1Cl 587065343 OOESQDFDSBEHCU-UHFFFAOYSA-N 358.779 4.964 0 1 FJAF COc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2n1 587124186 JDNVJTMELYQBMA-YWEYNIOJSA-N 351.353 4.749 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)ncc2[nH]1 587170355 PIIQZVIQMOXUDZ-VIFPVBQESA-N 366.259 4.755 0 1 FJAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587207263 PIOXWPPZHFIXKY-KPNPRUKOSA-N 355.437 4.797 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(C)(C)Br)O2 587373100 LDEFLSDKLSUYOH-LJQANCHMSA-N 374.278 4.611 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587422868 VNLTZCCFTBQMAE-GTNSWQLSSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CCc1ccccc1)(C(F)F)CC2=O 587463633 BYOYGRRPPWKUQW-OAQYLSRUSA-N 360.400 4.947 0 1 FJAF CC(=O)n1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc21 587515070 JABNQVYSLXAGGK-QFIPXVFZSA-N 359.425 4.887 0 1 FJAF C[C@]1([C@@H]2C[C@H]3CC[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600302 ALMVQCIJOIZAQT-MRPQBQSLSA-N 350.414 4.549 0 1 FJAF Cc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587728232 RNVATCKDUGXQGP-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)sc1C 587844098 MDPNPXXIXGYSPU-FVMDXXJSSA-N 354.288 4.890 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(Cl)cc2o1 587871424 WUKIRORUVWMEAW-UHFFFAOYSA-N 357.772 4.872 0 1 FJAF CCc1cccc(C)c1NC(=O)c1sc2nc3c(cc2c1N)CCCC3 653697834 PFNZLMRVTGEJDM-UHFFFAOYSA-N 365.502 4.880 0 1 FJAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1cccc2c1CCC2 962398969 OPGVDLDVDJOADI-QHCPKHFHSA-N 362.542 4.897 0 1 FJAF Oc1ccc([C@H]2c3cccc(F)c3CCN2[C@H]2CCSC2)c(Cl)c1 962706925 MTAFTHQZLONQJQ-HXPMCKFVSA-N 363.885 4.638 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356768730 ULSKENBXGBZRRW-FMROUHSJSA-N 372.549 4.991 0 1 FJAF CN(C)Cc1ccccc1-c1nc(NCc2ccccc2)c2ccccc2n1 4268434 UZNOUGUOODNRBH-UHFFFAOYSA-N 368.484 4.971 0 1 FJAF O[C@@H](CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1)C(F)(F)F 13490866 NMRRDQBVICTNEI-HNNXBMFYSA-N 363.301 4.635 0 1 FJAF CCCC[C@H]1CCCO[C@@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 13829013 CEAQBPUGPJBYKN-YOEHRIQHSA-N 361.404 4.512 0 1 FJAF COc1cccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)c1 22941689 COPPDNWLOPWWQJ-GOTSBHOMSA-N 358.485 4.559 0 1 FJAF COc1cccc2c1[C@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 27182558 YZYSBQZNEZZXLK-NFBKMPQASA-N 370.428 4.593 0 1 FJAF CC[C@@H](c1ccc(N(C)C)c(O)c1)[C@@H](CC)c1ccc(N(C)C)c(O)c1 27653268 SNRYJZDSFBLRCV-ROUUACIJSA-N 356.510 4.917 0 1 FJAF CC(C)(C)c1ccc([C@]2(c3ccccc3O)C(=O)Nc3ccccc32)cc1 29557976 VDRPZQFYEDVDGL-DEOSSOPVSA-N 357.453 4.976 0 1 FJAF COc1ccccc1N1CCN(Cc2ccccc2-c2ccccc2)CC1 96910221 HFGOJHZGZKOYOH-UHFFFAOYSA-N 358.485 4.684 0 1 FJAF O=C1CS[C@@H](c2cc3ccccc3nc2S)N1c1cccc(Cl)c1 103196435 DFKIJXWNTLHILO-SFHVURJKSA-N 372.902 4.956 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4cc[nH]n4)n3)cc2)cc1 299861281 IDHYUPNWDRFFDG-UHFFFAOYSA-N 372.306 4.938 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(N)cc4O)nc13)-c1ccccc1C2=O 586997961 WYHNQPXCIZBYCP-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(F)cc3[nH]2)n1 587079298 IHWUYLKRHLSKGQ-ZETCQYMHSA-N 371.641 4.952 0 1 FJAF Cc1cnc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587128322 JNVLFYNWIVKWDY-LURJTMIESA-N 361.730 4.601 0 1 FJAF COc1c(F)cc(-c2nc3cc(C)cc(Br)c3[nH]2)cc1F 587135253 XEXVQCWRTIILQR-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(C(=O)O)cc3[nH]2)c1 587240166 AABJBUYLNBQUMO-UHFFFAOYSA-N 372.428 4.871 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427150 HATOYJFNAHEVHS-CVDCTZTESA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(Cl)cc3n1C)CC2=O 587459354 CSFUVUBAJNZZHY-GOSISDBHSA-N 370.836 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1N1CCCC1)CC2=O 587464861 BRSSIWODEZIVRO-HXUWFJFHSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(OC)cc3[C@@H]1C)CC2=O 587482167 SGGGCICIZMVPMR-LFVRLGFBSA-N 366.457 4.807 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc3c1OC(C)(C)C3)CC2=O 587487028 YLCFJUKBNSDHSB-IBGZPJMESA-N 352.430 4.765 0 1 FJAF O=C1C[C@H](c2ccc(O)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510821 YSXAAOYZLXWVSA-GOSISDBHSA-N 362.347 4.996 0 1 FJAF Cc1ccc([C@H](C)C[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587614543 CICWZTDTNZHSIG-SMHULIPUSA-N 364.397 4.818 0 1 FJAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2ccc(F)c(Cl)c12 587628862 AXRLOVHNGJYRTK-UHFFFAOYSA-N 367.710 4.858 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 587778542 OYFXMBUOKXRVJJ-UHFFFAOYSA-N 352.768 4.959 0 1 FJAF COC(=O)C[C@H](C)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587787801 WXKAJOKGYUCYER-GFCCVEGCSA-N 365.458 4.581 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587931294 RTQYVXDDKBIMFB-SCLBCKFNSA-N 362.351 4.915 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)cc(C)c4[nH]1)(C3)C2 587951429 ZRNRSHDNTIRQSE-LWYUSKRHSA-N 358.869 4.678 0 1 FJAF COc1cccc(-n2cccc2[C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963096106 COOJDIDRHPWVHA-MBSDFSHPSA-N 362.448 4.735 0 1 FJAF Fc1cccc2c1[C@@H](c1ccc(OCc3ccccn3)cc1)N1CCC[C@H]1C2 963099483 AGVVFGLDPYXFRA-GBXCKJPGSA-N 374.459 4.910 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)=O)c1ccccc1OC 963235443 WMMYCCDYNWVRSV-HXOBKFHXSA-N 351.490 4.575 0 1 FJAF S=C1NN2C(c3ccccc3)=C[C@@H](c3ccc(Cl)cc3)N=C2S1 1857762507 WRVZAVPTQQYVPA-AWEZNQCLSA-N 357.891 4.630 0 1 FJAF C=CC=CCC=CCC=CCC=CCC[C@@H](OC(C)=O)[C@H](C)NC(C)=O 2356819227 FAINHVIYJBLRIC-SIKLNZKXSA-N 359.510 4.804 0 1 FJAF Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCCC2 13558670 QVHLOAXADFOGRG-UHFFFAOYSA-N 350.281 4.593 0 1 FJAF COc1cc2ncnc(Nc3cc(F)cc(C(F)(F)F)c3)c2cc1OC 13676221 OADSFSCZBUDKTO-UHFFFAOYSA-N 367.302 4.549 0 1 FJAF Cc1nc(N2CCCCC2)c2[nH]c(-c3cccc(C(F)(F)F)c3)cc2n1 13834955 AJRREJQBCRRFPZ-UHFFFAOYSA-N 360.383 4.942 0 1 FJAF CCCCCCOc1ccc(Cc2ccc(NC3=NCCN3)cc2)cc1 26000961 XFOQJVDQOUUOQJ-UHFFFAOYSA-N 351.494 4.608 0 1 FJAF CNCCC[C@@]1(C)Cc2cc(Cl)ccc2N(c2ccc(C)cc2)C1=O 28528300 JTBUWXHKRDNJAX-NRFANRHFSA-N 356.897 4.875 0 1 FJAF C[C@H]1CN([C@@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 36093072 NDIIKLHONTYYRL-UQIDSAAFSA-N 358.888 4.692 0 1 FJAF CC(C)N1CCC[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)C1 49088370 XVMSTDBLFRGHSD-GOSISDBHSA-N 351.469 4.812 0 1 FJAF CCCC(=O)Nc1cc(-c2ccc(F)cc2)nc(-c2ccc(F)cc2)n1 66100570 LEWRACVGHSPIPT-UHFFFAOYSA-N 353.372 4.827 0 1 FJAF O=C(CSc1nccnc1-c1ccccc1Cl)Nc1ccccc1F 95563635 PVMPSWZICURELW-UHFFFAOYSA-N 373.840 4.667 0 1 FJAF Cc1nc(-c2cccnc2)sc1C1=NN[C@H](c2ccc(Cl)cc2)C1 95589866 SQCYNSYVIKWNGE-HNNXBMFYSA-N 354.866 4.606 0 1 FJAF Cc1cccc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2S)c1 103196400 UCLVADYXNABGNX-LJQANCHMSA-N 352.484 4.611 0 1 FJAF CCCCC[C@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)[C@H](C)O 253635967 HQWDQCLZOGUKDS-CUWPLCDZSA-N 364.526 4.816 0 1 FJAF FC(F)(F)c1nc(Cl)[nH]c2nc(CCc3cc4ccccc4o3)nc1-2 586902830 CLOFEHDVSXKHKG-UHFFFAOYSA-N 366.730 4.508 0 1 FJAF CCn1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586986514 BRAVQTJEVGSRJU-UHFFFAOYSA-N 369.424 4.652 0 1 FJAF Cc1nc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586994518 VXXNRULLPVWPBE-UHFFFAOYSA-N 358.422 4.892 0 1 FJAF Fc1cc2[nH]c(-c3nc(Br)ccc3Cl)nc2cc1Cl 587004950 FXLBSJYFBOWYMV-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CN(C)C(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052176 XNCSIVLKCVJOCL-RYUDHWBXSA-N 374.271 4.843 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(N)c1 587104649 SYEWIUUOUNZZTG-UHFFFAOYSA-N 352.393 4.704 0 1 FJAF N=c1cc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc2c[nH]1 587112605 OSHDESWKVMNTAM-UHFFFAOYSA-N 370.334 4.849 0 1 FJAF Fc1cc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 587130501 LZDFDMNAIXTOCK-UHFFFAOYSA-N 357.129 4.733 0 1 FJAF COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1Cl 587133694 ZWJIPGGTVVFSOC-UHFFFAOYSA-N 373.598 4.902 0 1 FJAF O=C1c2ccccc2-c2c([C@H]3CCCCC34OCCO4)cnc3cccc1c23 587209733 UFQVDHCCFJFLPU-LJQANCHMSA-N 371.436 4.847 0 1 FJAF Cc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1F 587217793 GBOIQFHAHFJOJO-HXUWFJFHSA-N 359.404 4.530 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2c(F)cnc(Cl)c2[nH]1)C1CCCC1 587226804 TUMMZXDQPJWYLN-NSHDSACASA-N 368.840 4.506 0 1 FJAF COC(=O)[C@@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363379 SHUQMNDDPUCZJM-AWEZNQCLSA-N 373.408 4.544 0 1 FJAF COc1cc2c3c(c1)O[C@H](CCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422685 REYQNNNZEFRXIE-CZUORRHYSA-N 363.240 4.751 0 1 FJAF CCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C(C)C 587440408 GTZYENHDXHTCQA-VGSWGCGISA-N 352.430 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)NCCS3)CC2=O 587498158 FUHSHCPAVBFRGK-GOSISDBHSA-N 355.459 4.569 0 1 FJAF O=C1CC2(CCN(c3ccccc3F)CC2)Oc2c1ccc1c2CCCC1 587501920 GSKQKHAYAHXDMS-UHFFFAOYSA-N 365.448 4.709 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587783067 FQGXSFUNBQDBIZ-UHFFFAOYSA-N 372.424 4.524 0 1 FJAF FC1(F)CCN(Cc2cccc3c2OCO3)C[C@@H]1CCc1ccccc1 1772649705 RSNWWTKTQICJEO-SFHVURJKSA-N 359.416 4.505 0 1 FJAF Oc1ccc(-c2ccc(CNCCc3c[nH]c4ccc(F)cc34)o2)cc1 1857539477 YKUHLXRZNYUNSP-UHFFFAOYSA-N 350.393 4.605 0 1 FJAF CCCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccccc1 1911576178 WPOPFTWABPQKSC-LJQANCHMSA-N 373.294 4.593 0 1 FJAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@]21C[C@@H](c2ccoc2)CC1=O 2356584581 KELOXJWCNVNKDH-XTFZGKQASA-N 356.462 4.802 0 1 FJAF COc1ccc([C@@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC)c1 5963551 MQSZHVFJSFLOMO-HNNXBMFYSA-N 352.430 4.607 0 3 FJAF biogenic Cc1ccc(Cl)cc1-c1cc(C(=O)NCc2cccc(Cl)c2)[nH]n1 61898493 FYMSWLXVTINFTH-UHFFFAOYSA-N 360.244 4.622 0 3 FJAF CC(C)c1ccc(NC(=O)Nc2nc([C@@H](N)c3ccccc3)cs2)cc1 61929849 MBOMVNWPERHPRG-SFHVURJKSA-N 366.490 4.959 0 3 FJAF COC(=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1 8536350 GUZODAKISVJZOY-UHFFFAOYSA-N 373.387 4.731 0 1 FJAF CC1(C)CC(=O)c2c(SCCCO)sc(-c3nccs3)c2C1 13520437 CAJUSRIHDIZNNF-UHFFFAOYSA-N 353.534 4.501 0 1 FJAF COc1ccc(Cl)c([C@@]2(F)C(=O)Nc3c(C(F)(F)F)cccc32)c1 25979223 RYXGYTUHROHEBZ-OAHLLOKOSA-N 359.706 4.533 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCO[C@H]2N3C)cc1 28125338 NPANUSRHFVUOKM-IRLDBZIGSA-N 366.461 4.875 0 1 FJAF O=C(N[C@@H]1CCCc2ccc(O)cc21)C(c1ccccc1)c1ccccc1 29416565 PPETUNKYKMYMMS-JOCHJYFZSA-N 357.453 4.718 0 1 FJAF Cc1ccc([C@@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)nc1 43021305 OWUWJHDPUJMAGB-SFHVURJKSA-N 351.277 4.817 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(n1ccc3cc(NC(=N)c4cccs4)ccc31)C2 72106569 ARTVGQKIWYUPOH-JWTNVVGKSA-N 364.518 4.938 0 1 FJAF CCCCCc1nc(-c2cnc(N(C)CC)nc2-c2ccco2)oc1C 82166441 WPZCIZVVGBGJMY-UHFFFAOYSA-N 354.454 4.889 0 1 FJAF CCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 95558189 BHQOTGDLLAGNKF-UHFFFAOYSA-N 359.429 4.569 0 1 FJAF Cc1ccc2ncccc2c1-c1cc(-c2c(C)noc2C)cc2[nH]c(=O)[nH]c12 220571155 VRLSARGDMZKGFM-UHFFFAOYSA-N 370.412 4.652 0 1 FJAF COc1cc(/C=C\c2nc3ccc(F)c(C)c3[nH]2)ccc1Br 586975564 FAFLCOPBUYWAMR-YWEYNIOJSA-N 361.214 4.952 0 1 FJAF Cc1cc(F)c2[nH]c(-c3nc(Br)sc3C3CC3)nc2c1 587011588 APZDSTKRZLNWEO-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CNCC4)nc3cccc1c23 587108131 VICQROONRTUZGO-UHFFFAOYSA-N 362.432 4.759 0 1 FJAF CC(C)[C@H](c1nc2c(Cl)cnc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587198282 WPOMPOZACPRASE-GFCCVEGCSA-N 373.284 4.829 0 1 FJAF N[C@@H](Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1)c1cccc2ccccc12 587258957 NQGQUNZSHPTNCA-LBPRGKRZSA-N 359.326 4.515 0 1 FJAF C[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372104 DVAJKQNRVGIYII-UYAOXDASSA-N 354.402 4.867 0 1 FJAF C[C@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505493 HIINSWUJIFPEAH-LJQANCHMSA-N 361.363 4.860 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2)N1 587735103 PCDJMALBKRNUPD-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3[nH]ccc23)N1 587800185 ARKCVVLXVBCVDC-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H](C)[C@H]1C 587824528 XGVGSSDMEIMYIP-KEXIXCRFSA-N 352.291 4.940 0 1 FJAF Cc1cc2c(o1)CCC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587830453 FCACXFWYGKQPFU-XTZNXHDOSA-N 364.258 4.604 0 1 FJAF CSCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587845567 NKLKYTHPIIRODN-XXFAHNHDSA-N 370.287 4.668 0 1 FJAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccccc1Cl 653697101 MIYHESIJDXOXNI-UHFFFAOYSA-N 350.805 4.678 0 1 FJAF Cc1ccc(Cl)c2c1[C@@]1(NCCc3cc(-c4ccccc4)ccc31)C(=O)N2 962667386 LOONRYIDMKHINL-HSZRJFAPSA-N 374.871 4.657 0 1 FJAF Clc1ccccc1[C@H]1C=C(c2cccc3ccccc23)N=C2NN=CN21 1857540618 YNNKNSLVTNNPJP-HXUWFJFHSA-N 358.832 4.794 0 1 FJAF Fc1cccc(N2CCC([C@@H]3c4c(F)cccc4-c4cncn43)CC2)c1 1857604008 IHRZDOLIIBFDBL-OAQYLSRUSA-N 351.400 4.648 0 1 FJAF CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@]2(C)CCC1=CCOC1=O 14446659 HDXWELYONRXJIT-FYXRHKGBSA-N 360.494 4.592 0 1 FJAF biogenic O=c1[nH]c(S)nc2nc(-c3ccccc3)cc(-c3ccc(Cl)cc3)c12 38621116 DYRBPRGPDWSBIO-UHFFFAOYSA-N 365.845 4.594 0 1 FJAF CN1CCc2cc(Br)c(O)cc2[C@@H]1Cc1ccccc1Cl 45301988 DNBNCVBHGFCTMA-INIZCTEOSA-N 366.686 4.580 0 1 FJAF Fc1ccc([C@H]2C[C@H](c3ccc(Cl)cc3)Nc3ncnn32)c(Cl)c1 72112511 WOPYGCGXARBGTL-HZPDHXFCSA-N 363.223 4.870 0 1 FJAF Cn1c(-c2ccccc2)cc2c(Nc3ccc4c(c3)OCCO4)nccc21 74387150 JWAXZFSOWVHBAK-UHFFFAOYSA-N 357.413 4.755 0 1 FJAF COc1ccc(C2=NN[C@@H](c3ccc4c(c3)c3ccccc3n4C)C2)cc1 84726654 WOCZLCAGLJMDAP-OAQYLSRUSA-N 355.441 4.779 0 1 FJAF O=C1Nc2ccccc2/C1=C(/c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 84742598 YXDYQWFVCCYQIM-FMQUCBEESA-N 373.362 4.752 0 1 FJAF CC(C)Sc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705442 STFZBHJDCJYTDC-UHFFFAOYSA-N 353.422 4.871 0 1 FJAF Fc1ccc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c2c1Br 586884388 HQCAZMQDASEMIS-KPZWWZAWSA-N 357.226 4.836 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586895865 AKPYWQUBFYFHNP-UHFFFAOYSA-N 358.397 4.779 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc12 586900383 IFEJMHWDYBPQQS-UHFFFAOYSA-N 367.792 4.571 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586908755 UUXVQINWCAIXCL-MRVPVSSYSA-N 368.742 4.816 0 1 FJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(F)cc(F)c3[nH]2)c1 586916370 XYUQQSTURVGHDF-UHFFFAOYSA-N 366.323 4.609 0 1 FJAF Cc1cc(Cl)cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 587040350 NFRIXSVAOXBNOW-LBPRGKRZSA-N 353.875 4.507 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1 587115632 SSHQONFDJURRBV-UHFFFAOYSA-N 367.330 4.875 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(F)c2[nH]1 587151711 TXUDJDJJFGYGDM-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF COc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2n1 587163486 JWMWWPDABIASAR-KAMYIIQDSA-N 351.406 4.756 0 1 FJAF Cc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1F 587202246 CDGUHGWIJMOZPD-UHFFFAOYSA-N 368.412 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(O)c(C)c3)c1)O2 587406000 ZWUZAZFCEVBJPZ-QFIPXVFZSA-N 359.425 4.965 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ccc(O)cc13)CC2=O 587487225 VYTNHEUZUDHZEE-LJQANCHMSA-N 351.402 4.547 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cccc(C)c3)nc1)CC2=O 587491533 URCMOYUBGMHVGI-NRFANRHFSA-N 374.440 4.817 0 1 FJAF CC[C@@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569716 IZEZQORIXIPECE-KNQAVFIVSA-N 364.372 4.798 0 1 FJAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587785793 ORAOCXFYABCLLO-ZIAGYGMSSA-N 360.335 4.525 0 1 FJAF CC(C)c1cnc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587854241 QUUQPUKCBWMGKP-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF CC(C)(C)Oc1ccc(O)n1-c1cnc2cc(Br)ccc2c1 587940457 PLGDCEARFYGHLB-UHFFFAOYSA-N 361.239 4.671 0 1 FJAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(C)cc3c2CCCC3)n1 587946528 VZRNIRFMWBDFNN-UHFFFAOYSA-N 369.465 4.886 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c[nH]c3ccc(Cl)cc13)N(C)[C@@H](C)C2 962616797 BMXDISXZTNPVNV-LAJNKCICSA-N 370.880 4.804 0 1 FJAF COc1cccc([C@@]2(CCc3ccccc3C)NCCc3c(C)ccnc32)c1 963068511 LPMVDRHGMXZWHA-RUZDIDTESA-N 372.512 4.729 0 1 FJAF Cc1ccc([C@@]2(CCc3ccc(F)cc3)NCCc3c(C)ccnc32)cc1 963075516 SIKSLAULJZTIQG-XMMPIXPASA-N 360.476 4.860 0 1 FJAF Fc1cccc2c1[C@H](c1cc(CN3CCCCC3)cs1)N1CCC[C@H]1C2 963111535 OVZKXGSUPCGIPR-AVRDEDQJSA-N 370.537 4.983 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cncc(-c2ccccc2)c1 963272309 ZMXVVZIRYMQKGO-OAQYLSRUSA-N 350.849 4.646 0 1 FJAF Cc1csc(NC(=O)c2ccc(CNc3cccc(Cl)c3)cc2)n1 1857652930 RMQSXRNHCOORCY-UHFFFAOYSA-N 357.866 4.969 0 1 FJAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C[C@@H]1C 2356480631 KMGDCJDRYJVZCA-UBTJXIBCSA-N 371.477 4.607 0 1 FJAF COc1ccc(-c2nc(CCC(=O)O)sc2-c2ccc(OC)cc2)cc1 1483082 SGHNJMBVVMKJIG-UHFFFAOYSA-N 369.442 4.512 0 1 FJAF CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 1681872 OTTUKNSDVUSPGW-PSJNWGMYSA-N 350.449 4.969 0 1 FJAF biogenic CC(NC(=O)Nc1cc(Cl)ccc1Cl)(C(F)(F)F)C(F)(F)F 3188922 NXTBICYVJBTKIJ-UHFFFAOYSA-N 369.092 4.998 0 1 FJAF biogenic C[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC[C@@H](O)c1cccc(Cl)c1 13488824 YBOUCZGJCOEWPA-CWTRNNRKSA-N 363.288 4.729 0 1 FJAF CCCCCCO[C@H](C)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398537 DTSBTUSKJKTLJH-YEZVEPGOSA-N 352.515 4.967 0 1 FJAF C=CC(=O)Nc1ccc2ncnc(NCCc3ccc(C(C)(C)C)cc3)c2c1 43123593 GEONMEVGOWVJMZ-UHFFFAOYSA-N 374.488 4.706 0 1 FJAF Cc1cccc(C)c1CNc1nc(-c2cccc(=O)[nH]2)cc2c(C)c(C)[nH]c12 49021462 QEHHTVFVEDPISA-UHFFFAOYSA-N 372.472 4.764 0 1 FJAF COc1cc(O)c2c(=O)c(-c3ccc(OCC=C(C)C)cc3)coc2c1 238768955 BMVDJUYMDVBTDV-UHFFFAOYSA-N 352.386 4.519 0 1 FJAF OCCCCCCCCCCCc1nc2ccc(Br)nc2[nH]1 586894463 GRUUIWNJIGEWGV-UHFFFAOYSA-N 368.319 4.766 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4c(C)ccc(C)c4[nH]3)n2C)cc1 586965293 IDSTVTXXQVXXQR-UHFFFAOYSA-N 363.490 4.576 0 1 FJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)c[nH]c-4n3)c21 587030659 IHONCJGQQGPYNW-JTQLQIEISA-N 369.881 4.917 0 1 FJAF Cc1ccc2c3c(cc(CCn4ccnc4C)nc13)-c1ccccc1C2=O 587098159 NXOBAHGLQGQABA-UHFFFAOYSA-N 353.425 4.502 0 1 FJAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422684 REYQNNNZEFRXIE-CJNGLKHVSA-N 363.240 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1c1ccccn1)CC2=O 587488802 KCMRXJUURSULEI-VGOFRKELSA-N 351.446 4.802 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c1ccc(C)c3C)CC2=O 587492546 RCYOKJVEUTUMTG-HSZRJFAPSA-N 366.457 4.995 0 1 FJAF O=C1C[C@@]2(CSCc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587503093 CJQFHSCEXZAPCN-NRFANRHFSA-N 354.446 4.812 0 1 FJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)cc1O 587506640 NOMZMLUYIONNKZ-GOSISDBHSA-N 358.821 4.640 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)cc1F 587558176 QYXOQFRQXJSIDR-WIYYLYMNSA-N 368.335 4.682 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccn2C(C)(C)C)N1 587758389 XHBJYWCJCUHYRM-APPDUMDISA-N 365.290 4.768 0 1 FJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587809612 RCSNLVPPBKOHQB-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2Cc3ccccc3C2)N1 587823111 OHASXTYZSJBRKU-WYRIXSBYSA-N 360.270 4.579 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1 587930683 FREWMDLXLVGLRO-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF Fc1ccc(-c2cc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)no2)cc1 963107590 RYFLXQINQQLFNK-UWJYYQICSA-N 352.384 4.730 0 1 FJAF COc1cc(C(=O)N[C@@H](C)c2cccc3ccccc23)ccc1-c1cn[nH]c1 1772629821 OEYSQZKVMVAGLO-HNNXBMFYSA-N 371.440 4.730 0 1 FJAF C[C@H]1C(=O)N(C)c2ccc(N[C@H](C)c3ccc(Cl)cc3)cc2N1C1CC1 1857643779 NTROMQQIVDDQPC-KGLIPLIRSA-N 369.896 4.847 0 1 FJAF CC(C)CNC(=O)C=CC=CCCCCCCc1cccc2c1OCO2 2356284113 OAUYZSUAOWKXEG-UHFFFAOYSA-N 357.494 4.793 0 1 FJAF CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc2c1O[C@H](C(C)(C)O)C2 2356834655 KDOKRXUDHVXOHF-IBGZPJMESA-N 358.478 4.694 0 1 FJAF Cc1cnc(CNc2ncnc3ccc(-c4ccccc4Cl)cc23)cn1 4264553 JGTHNIVRFFDTOL-UHFFFAOYSA-N 361.836 4.661 0 1 FJAF Cc1cc(CSc2nnc(Nc3ccccc3-c3ccccc3)[nH]2)no1 14964338 BESDVTLBOJMHET-UHFFFAOYSA-N 363.446 4.804 0 1 FJAF CC[C@@H](c1ccc(O)c(N(C)C)c1)[C@@H](CC)c1ccc(O)c(N(C)C)c1 40466668 VAVPDGBRUPQPMZ-ROUUACIJSA-N 356.510 4.917 0 1 FJAF COc1cc(Cl)c(C)cc1Nc1nc(Cl)cn([C@H](C)C2CC2)c1=O 42964025 JRZJYJNCDXLIAK-SNVBAGLBSA-N 368.264 4.582 0 1 FJAF O=C(O)COc1cccc(NCc2cc(-c3cccc(F)c3)ccc2F)c1 148818978 GEEPKOBTNVSZJG-UHFFFAOYSA-N 369.367 4.707 0 1 FJAF Cc1c(F)cccc1CNc1ccc(-n2cc(C(F)(F)F)nc2C)cn1 149811292 ZNTPEIMLMUBAKR-UHFFFAOYSA-N 364.346 4.654 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169323792 RDPJISLOFXUIDK-MHZGIAPASA-N 357.538 4.515 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2c(S)nc(S)nc2[nH]1 586878062 AROAREPHZMCLMG-UHFFFAOYSA-N 350.472 4.573 0 1 FJAF CCc1ccc(-c2nc3nc(Cl)nc(C(F)(F)F)c3[nH]2)cc1CC 586878445 DLUOENFLQYGIMB-UHFFFAOYSA-N 354.763 4.817 0 1 FJAF FC(F)(F)c1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cn1 587023338 JBHMHOYKXGBQBD-UHFFFAOYSA-N 352.366 4.829 0 1 FJAF Cc1cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2cc1Br 587091996 KQCAPQGKJMHYCD-UHFFFAOYSA-N 374.160 4.784 0 1 FJAF Cc1ccc2c3c(cc(-c4cccc(CO)c4)nc13)-c1ccccc1C2=O 587100777 IGVGNZMVXFZNRW-UHFFFAOYSA-N 351.405 4.914 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2ccc(Br)c(C)c2[nH]1 587132972 MUZFODJNKJQIMN-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF COc1cccc(-c2cc(/C=C(\C)NCCO)nc3c2oc2ccccc23)c1 587363112 PNGHVHMVJGNGJO-NTCAYCPXSA-N 374.440 4.599 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCc3ccccc3)cc1)O2 587399024 IARVRARUCMSKMH-QFIPXVFZSA-N 359.425 4.863 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(C4CC4)oc4ccc(O)cc14)[C@@H](C2)C3=O 587451840 BURLEESTBVRCAF-NYHFZMIOSA-N 362.381 4.513 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Cl)cc1F)CC2=O 587464796 ACTJXMKBEKOHFT-INIZCTEOSA-N 352.764 4.983 0 1 FJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587576168 HZKPNDIPOAEMTF-NFBKMPQASA-N 371.392 4.587 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1nccc2ccccc12 587587226 LSUFYPNPELLFSW-CVDCTZTESA-N 369.376 4.643 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cnn(C)c3C)c2c1 587642177 QBXHOEUYJWJTBO-SNVBAGLBSA-N 363.383 4.973 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816600 AZJVPXBYQHIBCR-MPBGBICISA-N 374.297 4.929 0 1 FJAF CSc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849819 WBYIRHAZNLHMQT-AYVTZFPOSA-N 372.328 4.995 0 1 FJAF C[C@@H](CNC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 587921274 SZXCIQUZSOOONY-ZDUSSCGKSA-N 356.878 4.997 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)ncc2[nH]1 587952366 PPFKTBYKAZRFFO-MJVIPROJSA-N 352.276 4.767 0 1 FJAF CC1=C(Cc2ccccc2)[C@@H](C)N=C(Nc2nc(C)c3cc(C)ccc3n2)N1 653882821 BZGUNBRMNJLXOA-OAHLLOKOSA-N 371.488 4.523 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1ccc(C(C)(F)F)cc1)N(C)[C@H](C)C2 962571085 OQCWHFILDLSBBC-BFUOFWGJSA-N 361.432 4.781 0 1 FJAF CCn1nc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962666609 KULCLRSCESMVBP-HSZRJFAPSA-N 353.469 4.958 0 1 FJAF Cc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 1772587806 YKIZAAUDBGILES-UHFFFAOYSA-N 361.380 4.716 0 1 FJAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4ccsc4)c32)cc1 1857641265 QVAAXHRWLAHKIA-UHFFFAOYSA-N 369.467 4.615 0 1 FJAF CCOCc1ccc(CNC(=O)c2sc(C)c3c2C[C@H]2[C@@H]3C2(C)C)cc1 1857753365 JXXHRRXILZJBQG-HKUYNNGSSA-N 369.530 4.819 0 1 FJAF COC(=O)C[C@H](C)CC[C@@H]1C(C(=O)OC)=CC[C@H]2C(C)(C)CCC[C@]12C 2356659550 IKUWKCBEPBSPCP-YDGKCNFYSA-N 364.526 4.918 0 1 FJAF CC1=C(C(=O)O)[C@H](CCCCCCCCCCCC[C@@H](C)CO)OC1=O 2356819698 FEGXSCTZZUZMJG-AEFFLSMTSA-N 368.514 4.623 0 1 FJAF Cc1cc(Oc2cccnc2)ccc1NC(=O)Cc1cn(C)c2ccccc12 199265617 SOEHSZJGWORWLU-UHFFFAOYSA-N 371.440 4.855 0 3 FJAF O=c1c(-c2cccc(Oc3ccccc3)c2)c(O)[nH]c2cc(Cl)cnc12 591629 UGPKILZIIJMWGQ-UHFFFAOYSA-N 364.788 4.741 0 1 FJAF COc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@@H](c1ccccc1)C2 13476896 CHNMYFQAXCNAFN-RTWAWAEBSA-N 363.501 4.815 0 1 FJAF Cc1cc(C)nc(N2C(=O)CS[C@H]2c2c(Cl)cccc2Cl)c1 27623812 MWHGKWYIEYAFOP-INIZCTEOSA-N 353.274 4.784 0 1 FJAF O=C1C(Sc2ccccc2)=C(O)CN1Cc1cccc(C(F)(F)F)c1 34600509 DGDGPFGJQAXXBU-UHFFFAOYSA-N 365.376 4.610 0 1 FJAF CC1(C)Nc2c(cc(-c3cccc4nccn34)c3c2CCC3)C(C)(C)C1=O 43197406 NULJELQRMSFKRP-UHFFFAOYSA-N 359.473 4.541 0 1 FJAF Cc1cccc([C@@H](O)c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1 82078208 OSZUSUZSPPDSKA-CQSZACIVSA-N 365.380 4.691 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1CSCCc1ccccc1 101375086 ZLEMKOGTMZQMLN-IICYKRMDSA-N 374.546 4.957 0 1 FJAF O=C1NC(=O)/C(=C/c2cccc(OCCC3CCCC3)c2Cl)S1 115794149 GPZOREUGYGIHDY-UVTDQMKNSA-N 351.855 4.623 0 1 FJAF O=c1ccc2cc(OCc3cc(-c4ccc(Cl)cc4)no3)ccc2o1 299830579 OBZKBTUDRCWHMO-UHFFFAOYSA-N 353.761 4.680 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4ccc(C(=O)O)cc4[nH]3)c2)cc1 586879586 HKUGFBFSJQBTLY-UHFFFAOYSA-N 356.381 4.798 0 1 FJAF CC(C)CCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586889986 OQFXDNLVQUQQBX-QGZVFWFLSA-N 369.303 4.614 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(Oc3ccccc3)cc2[nH]1 586906671 FGWVRIUBCKFBKP-CQSZACIVSA-N 358.397 4.936 0 1 FJAF CC[C@H]1OCCC[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586908673 CORFVWIEDADUME-XHDPSFHLSA-N 367.287 4.785 0 1 FJAF O=C1c2ccccc2-c2cc(COCc3ccccc3)nc3ccc(O)c1c23 586990307 CMSFPISWDBGITL-UHFFFAOYSA-N 367.404 4.869 0 1 FJAF COc1cc(C(=O)O)cc(-c2ccc(-c3nc4ccccc4[nH]3)c(F)c2)c1 587146929 BWDBDZQPKXKDGL-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3cccc(C(=O)O)c3)c1)O2 587406083 FKGZYAQSDMXPQS-NRFANRHFSA-N 373.408 4.649 0 1 FJAF Cc1cccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)c1 587411613 DXIPSHBLYIVPMC-SFHVURJKSA-N 350.443 4.716 0 1 FJAF O=C(c1cc2ccccc2o1)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587638725 OTQCNGMUKJTTJW-UHFFFAOYSA-N 373.286 4.862 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587778716 QMIYDBSOSHHEGZ-UHFFFAOYSA-N 352.221 4.729 0 1 FJAF CCC[C@@]1(Cc2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828394 NBHCKZXLHBMJCN-SGTLLEGYSA-N 366.274 4.954 0 1 FJAF Cc1c(C)c(O)n(-c2ccc(Oc3ccc4c(c3)CCC4)c(F)c2)c1O 587945409 OKLMNRMNPAYMOJ-UHFFFAOYSA-N 353.393 4.925 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(Br)ccnc2[nH]1 587949831 DCSVVIGMNLTDEN-GVXVVHGQSA-N 352.276 4.767 0 1 FJAF CCCCCCOc1ccc([C@H]2NCCc3c2c(C(C)C)nn3C)cc1 962915203 GSNAVXOCWJOMGH-JOCHJYFZSA-N 355.526 4.738 0 1 FJAF COc1ccc2c(c1)[C@@H](c1cc(C)ccn1)N(Cc1ccc(F)cc1)CC2 963304701 UUHKYONURXALKY-QHCPKHFHSA-N 362.448 4.685 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc4ncccc4c3)nc2c1 1911580113 HMUYLRXQXBNPAR-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CC1=CC[C@H](OC(=O)c2ccccc2O)C(C)=C[C@H](O)C(C)(C)CCC1 2356575510 QAKKYFVECGRUIH-PMACEKPBSA-N 358.478 4.771 0 1 FJAF CCc1cccc(-c2cn3c(-c4ccc(OC)c(OC)c4)cnc3cn2)c1 2382233375 RHVQRNQMZYWAJS-UHFFFAOYSA-N 359.429 4.643 0 1 FJAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(-c2cc3ccccc3o2)cs1 61908942 AFWWUTMGDVFHEX-IBGZPJMESA-N 366.417 4.921 0 3 FJAF CCCCCCC1=NO[C@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N(C)C 4295618 HHODYQZOCMVWFE-IAGOWNOFSA-N 354.853 4.581 0 1 FJAF CC(=O)O[C@@H]1[C@H](O)c2cc(C(C)C)c(O)cc2[C@]2(C)CCCC(C)(C)[C@@H]12 13302592 AMKZEPMOTWRTSJ-VMBXEPDQSA-N 360.494 4.578 0 1 FJAF biogenic Cc1cc2c(cc1Br)[C@]1(C)CC[C@@H](C)[C@]1(CBr)O2 13370950 SPETWVBGYJPJER-ONERCXAPSA-N 374.116 4.971 0 1 FJAF biogenic C[C@@H]1S[C@@H](c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O 40423921 LKXQTLAWFJJCNQ-QFYYESIMSA-N 353.274 4.551 0 1 FJAF Fc1cccc(F)c1Cn1cccc2nc(-c3c(F)cccc3F)nc1-2 40576589 FPRSPVKIOIZKMO-UHFFFAOYSA-N 357.310 4.655 0 1 FJAF Nc1nc(N)c2c(Cl)c(Sc3cccc(C(F)(F)F)c3)ccc2n1 59719178 GLBVBMOQZBPMQH-UHFFFAOYSA-N 370.787 4.618 0 1 FJAF CCOc1ccc(-c2nc(CN[C@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)co2)cc1 72101349 UYYNNPPQRIBMQK-ZXUOCUECSA-N 354.494 4.901 0 1 FJAF Cc1ccc(-c2nc(CN3CCN(c4cccc(C)c4)[C@@H](C)C3)co2)cc1 169297062 ATEBBSVLOJTGIY-IBGZPJMESA-N 361.489 4.669 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169310107 CAJALTAVRYNFRC-DCCLSMNISA-N 359.554 4.789 0 1 FJAF Oc1cnccc1CCCOc1cccnc1Oc1ccccc1Cl 169327092 UZBLYKPJPNFWPC-UHFFFAOYSA-N 356.809 4.640 0 1 FJAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)nc2)c1 169349546 QZQNRYAAFCCMPX-UHFFFAOYSA-N 361.441 4.962 0 1 FJAF NCCCc1ccc(-c2ccc(-c3ccc(CCCN)s3)s2)s1 218161251 ANXVXOZCHLGJTC-UHFFFAOYSA-N 362.589 4.988 0 1 FJAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 253638198 OYVGUGDAAZPUSG-MVNRZPILSA-N 360.538 4.895 0 1 FJAF NC(=O)/C(=C\c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1 377845682 MHPAOTWUDNCIRV-XKZIYDEJSA-N 368.436 4.773 0 1 FJAF Cc1ccc(SCc2nc3c(F)cnc(Br)c3[nH]2)c(C)c1 586964239 ZVRCYLSXWFFRKV-UHFFFAOYSA-N 366.259 4.769 0 1 FJAF Cc1cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2cc1Cl 587023872 WBIWIWJGGHORAY-UHFFFAOYSA-N 364.858 4.995 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc(NC(=O)C(C)C)ccc3Cl)nc12 587051637 QNUMJLGZQARMLE-UHFFFAOYSA-N 363.248 4.835 0 1 FJAF CCOC(=O)[C@@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107668 SSSHIZXOCMOJEC-GOSISDBHSA-N 371.436 4.819 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2ccc3ncccc3c2[nH]1)C1CCCC1 587227261 XSTYSJIJBACUSH-KRWDZBQOSA-N 366.465 4.867 0 1 FJAF CCc1ccccc1NC(=O)c1nc2c(C)c(C)c(Br)cc2[nH]1 587241595 YBANADWNLRDEOH-UHFFFAOYSA-N 372.266 4.757 0 1 FJAF CC[C@@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587336963 LFFTZRXAHLLRPT-UNMCSNQZSA-N 363.388 4.591 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCCC3)cc1)O2 587397941 CQQMJPGUZZVEGE-NRFANRHFSA-N 350.462 4.664 0 1 FJAF O=C1C[C@H](c2cccc(F)c2-n2cccn2)Oc2c1ccc1c2CCCC1 587508168 SMBWTMUIHIWDOV-HXUWFJFHSA-N 362.404 4.597 0 1 FJAF CC(=O)c1c(C)[nH]c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521508 BKHFUXIUDTXPOA-JOCHJYFZSA-N 351.446 4.594 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3cccc2c13 587530868 WEIZABTTYMJBLV-XMMPIXPASA-N 354.405 4.776 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2F)N1 587731765 ZRHXJPPKCIGAAP-BBATYDOGSA-N 366.249 4.719 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3n2C)N1 587755609 HYVPPYZCKFDXGA-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587818955 SYNRYKKFGYRKKT-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF COc1ccc(/C=C/Cc2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c1 587928395 BBUXGYVLXCIYQZ-SNAWJCMRSA-N 359.429 4.693 0 1 FJAF Brc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2n1 587961067 ICWVFFXOJLPZCD-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Fc1cccc2c1[C@@H](c1ccc(CN3CCCCC3)s1)N1CCC[C@H]1C2 963109503 UYESSEKKVGOJET-HTAPYJJXSA-N 370.537 4.983 0 1 FJAF O=C(NCc1ccco1)c1cc(OCc2ccccc2)c2ccccc2c1 2382259083 PQZSSQSOMCFMGW-UHFFFAOYSA-N 357.409 4.942 0 1 FJAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C[C@H](C)O2 13461813 DJCPAKRYTYQGOM-STQMWFEESA-N 370.445 4.560 0 1 FJAF biogenic CC1(C)CCC(C)(C)c2cc(C(=O)c3ccc(C(=O)O)cc3)c(O)cc21 13738447 UCJKVJLBKOFYNQ-UHFFFAOYSA-N 352.430 4.670 0 1 FJAF COc1ccccc1N1CCN(CCC[C@H]2CCCc3ccsc32)CC1 13740676 LDTVGAHUVYKQFB-GOSISDBHSA-N 370.562 4.779 0 1 FJAF COc1ccc(-c2cc(-c3ccc(O)cc3)nc(N3CCCCC3)n2)cc1 28528451 BKEOJAVNBJRVOY-UHFFFAOYSA-N 361.445 4.515 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@H](C)CC3=O 29132938 WEMNDZLFVVGGDI-VHSXEESVSA-N 374.820 4.547 0 1 FJAF O=C(O)Cc1cc(Cl)cc(Cc2nc3c(F)c(F)cc(F)c3s2)c1 29409422 VOFQWDGONJCGKP-UHFFFAOYSA-N 371.767 4.585 0 1 FJAF CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1 38444291 HMRCFUPGLARKML-UHFFFAOYSA-N 355.869 4.550 0 1 FJAF COc1ccc2oc(/C=C/c3ccc(OC(F)(F)F)cc3)cc(=O)c2c1 43059386 TUYYVOPDRKWPTL-QPJJXVBHSA-N 362.303 4.871 0 1 FJAF CC/C=C/[C@@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49053302 IZVUNGJCKABPPP-GALSZHCDSA-N 354.233 4.684 0 1 FJAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3ccccn3)CO2)cc1 71317499 HBMSACOGKHEUHN-GOTSBHOMSA-N 358.485 4.551 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(-c3ccc(Br)o3)[nH]c2c1 90549747 LZHFOGYFFSTASS-UHFFFAOYSA-N 367.202 4.816 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCC[C@@H]2N3C)cc1 95577277 YRJYPCULCAKMAT-OAQYLSRUSA-N 365.477 4.793 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1F 103529946 LKYKQZNGAZEYBT-VZCCSQPZSA-N 351.381 4.677 0 1 FJAF COc1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587065848 ZMSKGTDKBKCBOY-UHFFFAOYSA-N 352.825 4.694 0 1 FJAF COc1cc(C)c(Cc2cnc3cccc4c3c2-c2ccccc2C4=O)cn1 587106024 KEVPCKQJAHFUBR-UHFFFAOYSA-N 366.420 4.749 0 1 FJAF Cc1ccncc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341290 VWGUCHLTAQSZPJ-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc(Cl)ccc1Cl)CC2=O 587460748 JNFRAYCDZUTOAA-AWEZNQCLSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc(F)c1O)CC2=O 587465977 KRMNFXZGEFXNSK-MRXNPFEDSA-N 350.773 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ccc(N)cc3)o1)CC2=O 587473450 VFJPQGSTESKSOV-NRFANRHFSA-N 363.413 4.893 0 1 FJAF O=C1C[C@]2(CCNc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587504708 XTQYTRNHRRHOHL-NRFANRHFSA-N 353.849 4.895 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(O)c2Cl)N1 587692284 GUIFVTGGXGRCBU-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)cc(F)c2F)N1 587721932 WZKNRFDTALRTSS-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccccc23)N1 587802381 MAARZLQGJKFCRV-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1C[C@H]2C 587823554 PZTJXIUDUTXVEQ-HNYWDRBLSA-N 360.270 4.558 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3ccccc3OC2)N1 587836474 VQHSZVKEKVOEFH-NSPYISDASA-N 374.253 4.640 0 1 FJAF Cc1ccsc1[C@]1(CC(C)(C)C(=O)O)NCCc2c1sc(C)c2C 963014113 TZAJEDCIIKEUTI-IBGZPJMESA-N 363.548 4.625 0 1 FJAF O=C(O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772608545 GFUZXOFHBRVLQQ-UHFFFAOYSA-N 359.307 4.604 0 1 FJAF NC(=O)[C@H](SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1 2382218244 LCZUCLRZIIFBGW-CYBMUJFWSA-N 367.820 4.516 0 1 FJAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@]23C)C1 26824995 UMJZDACYLLYXCX-MWKHTLDWSA-N 360.538 4.880 0 1 FJAF CN1CCN([C@@H]2C[C@H](c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C 36237970 BEBKQEVGPRNSGI-UYAOXDASSA-N 356.460 4.568 0 1 FJAF Cn1ccc2cc(-c3ccc4ncnc(NCc5cccnc5)c4c3)ccc21 36380624 KWOHHJGCCCBKDG-UHFFFAOYSA-N 365.440 4.796 0 1 FJAF c1ccc2sc(Oc3ccc(OCCN4CCCCC4)cc3)nc2c1 40409679 ZFOMZVAPHUXJNT-UHFFFAOYSA-N 354.475 4.953 0 1 FJAF CCCCN1Cc2ccc(C(=O)NC(C)C)cc2N=C1c1ccc(F)cc1 49710224 KHRDIEWZDQGAMM-UHFFFAOYSA-N 367.468 4.658 0 1 FJAF Fc1cccc(Cl)c1[C@@H]1C[C@H](c2cccc(Cl)c2)Nc2ncnn21 72111988 AJCWHKAAYSQCIM-CABCVRRESA-N 363.223 4.870 0 1 FJAF O=C1O[C@]2(CCCc3ccccc32)CC(O)=C1SCCc1ccccc1 100364321 WYCODKFYMPYLNI-JOCHJYFZSA-N 366.482 4.911 0 1 FJAF Cc1ccccc1N1C(=O)CS[C@H]1c1cc2ccccc2nc1Cl 103194962 AOAOKANGNPKZHS-IBGZPJMESA-N 354.862 4.975 0 1 FJAF CCc1cc(Nc2ccc(CCO)cc2)nc(-c2cccc(Cl)c2)n1 142806077 QZFILPJDXJACMC-UHFFFAOYSA-N 353.853 4.638 0 1 FJAF CCOC(=O)CCCCCCCCCCCC[C@]1(O)OC(=O)C(C)=C1C 238789614 HJGBSGSUXROYBD-NRFANRHFSA-N 368.514 4.813 0 1 FJAF Nc1ccnc2[nH]c(-c3csc(-c4cccc(Cl)c4Cl)n3)nc12 587015208 GNZLJGBWLHEMDD-UHFFFAOYSA-N 362.245 4.637 0 1 FJAF COc1cccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c12 587020042 DFKDXZRJPFOFNN-UHFFFAOYSA-N 351.431 4.582 0 1 FJAF CC(C)COCC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347034 KSUNCKLSWBLQOP-RBBKRZOGSA-N 372.436 4.712 0 1 FJAF N=c1[nH]c2c(s1)-c1nc3cccc4c3c(c1[C@@H](c1ccccc1)C2)CC4 587360407 NCRDCXBZXAZZPC-OAHLLOKOSA-N 355.466 4.557 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(c1)c1ccccc1n4C)[C@@H](C2)C3=O 587431903 RPTAYUKIXRGEHB-MHECFPHRSA-N 369.420 4.829 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C(C)C)nn(C)c1Cl)CC2=O 587460850 KLUYDRPARVSQMS-HNNXBMFYSA-N 362.857 4.562 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C3CC3)nn1C(C)C)CC2=O 587476979 SKWZASWFYAGMSM-FQEVSTJZSA-N 354.450 4.706 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC)cc1OCC)CC2=O 587481619 QWSWYNKDWZTNNG-NRFANRHFSA-N 370.445 4.849 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccs3)on1)CC2=O 587495730 SBGBKCUKDPEOIL-INIZCTEOSA-N 355.415 4.768 0 1 FJAF C[C@]1(c2ccc(C(F)(F)F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587505495 HIPMZQQLWOOSSE-LJQANCHMSA-N 361.363 4.860 0 1 FJAF CCOC(=O)c1c(C(Cl)(Cl)Cl)[nH]c2cc(Cl)c(F)cc12 587628972 WYHWKMDLTXLMBS-UHFFFAOYSA-N 359.011 4.964 0 1 FJAF O=C(c1c(-c2ccc3c(c2)OCO3)[nH]c2ccc(F)c(Cl)c12)C(F)F 587629456 QRSWUNOVQCVHJB-UHFFFAOYSA-N 367.710 4.804 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587722509 SAJVZVVPESDVPS-XYZCENFISA-N 370.212 4.798 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H](C3CC3)C2)N1 587817620 MRIBNJDAWOGAPD-AEDCBLDQSA-N 352.291 4.918 0 1 FJAF COc1cccc(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587931993 SLQCEYYYPOYJEZ-UHFFFAOYSA-N 358.441 4.936 0 1 FJAF Oc1ncccc1[C@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963101501 BVPZZIUTCJFHIS-FQEVSTJZSA-N 371.267 4.532 0 1 FJAF CN(C)CCCNCc1cc2cc(-c3ccc(F)c(Cl)c3)ccc2o1 1772634043 UXJWNNXUZWULKE-UHFFFAOYSA-N 360.860 4.934 0 1 FJAF CCCCC[C@@H](O)CC(=O)CCc1ccc(OCC=C(C)C)c(OC)c1 1772655693 XTDSTOFIWVREAP-LJQANCHMSA-N 362.510 4.873 0 1 FJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)Cc3ccccc32)cc1 1857587794 AHRMEDCMOGKIPB-UHFFFAOYSA-N 364.441 4.744 0 1 FJAF O=C1C[C@@H](c2ccc(O)cc2)Oc2cc(O)c(CC=C3CCCC3)c(O)c21 1857650540 IALKZQGOEOFEMS-IBGZPJMESA-N 366.413 4.553 0 1 FJAF COC(=O)c1cc(CC=C(C)C)c2c(c1)C[C@H]([C@@](C)(O)CCC=C(C)C)O2 2356338491 YSLSPYQDOAYNCM-OFNKIYASSA-N 372.505 4.783 0 1 FJAF CC(C)[C@H]1Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 253496244 UULPCCRGUXKHKG-CQSZACIVSA-N 372.515 4.678 0 3 FJAF CC(C)c1ccc(-c2onc(C(C)(C)C)c2C(=O)NCC(C)(C)CO)cc1 775834 PLJOIJUBPUGMNY-UHFFFAOYSA-N 372.509 4.511 0 1 FJAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCCC[C@@H]3[C@]12c1ccccc1 17218617 RHTNTPVCOFBZJY-QPTUXGOLSA-N 374.484 4.512 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCC[C@H]1N(C)C 28237296 CKBBSTXXVDRFDD-SJORKVTESA-N 357.325 4.999 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(Cl)cn3)c(C)nn12 28360862 LMTYAAJFHVZZRV-UHFFFAOYSA-N 357.889 4.688 0 1 FJAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCCOCCO)c1ccc(O)cc1 29328575 CUMSKWVUTKYGBV-PKTZIBPZSA-N 372.505 4.729 0 1 FJAF COc1ccc(CNc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 36338684 TXUXBAHHONQYQS-XNTDXEJSSA-N 373.456 4.541 0 1 FJAF CCCCOc1ccc(-c2cc(C(=O)OC)c3cc(OC)ccc3n2)cc1 72110338 USAAICLCORYPFD-UHFFFAOYSA-N 365.429 4.876 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132768 XEOAYELRNLQUJL-TXPKVOOTSA-N 366.509 4.663 0 1 FJAF CN1CC[C@@H](CN(Cc2ccccc2)Cc2ccc3ccccc3c2)OC1=O 84615012 HMOAPGPMCQHUPJ-QHCPKHFHSA-N 374.484 4.683 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2ccccc12 95583114 MXWHQDKBDRIKNI-IBGZPJMESA-N 365.889 4.888 0 1 FJAF CCN(Cc1cnc[nH]1)c1cc(F)cc(-c2nc3ccccc3s2)c1 96937925 KBAQNZRYJNJHIN-UHFFFAOYSA-N 352.438 4.852 0 1 FJAF N=C(NCCCCc1ccc(Cl)cc1)SCCCN1CCCCC1 96939835 BEAOCYNTOAGFPE-UHFFFAOYSA-N 367.990 4.796 0 1 FJAF CN(C(=O)c1ccccc1)c1nc(-c2cccc(Br)c2)cs1 207473383 DJSRTNYMHOKBTI-UHFFFAOYSA-N 373.275 4.849 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)ccc1CC3 586992332 VGZKKZXFLNFNNV-UHFFFAOYSA-N 365.388 4.623 0 1 FJAF CN(C)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587102989 CEMJWCTUJFXEFJ-UHFFFAOYSA-N 366.420 4.885 0 1 FJAF COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1Cl 587138110 WLPDDAJZWMMBHF-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF Fc1nc(Cl)ccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587177229 DJVZOEPKCCVOBW-UHFFFAOYSA-N 366.101 4.969 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](C)c3c(Br)cccc31)O2 587370702 HJWYZKAIQADBES-WLRWDXFRSA-N 372.262 4.708 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)cc(OC)c(C)c1C)CC2=O 587484058 XOZGVWKOTRGQIL-FQEVSTJZSA-N 354.446 4.985 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)c2cc(OC)ccc21 587484117 WINYWYGGQLKQLV-QHCPKHFHSA-N 366.457 4.895 0 1 FJAF Cc1nn(C(C)(C)C)c(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513505 AVAGYVVWUHDPCT-IBGZPJMESA-N 352.478 4.840 0 1 FJAF C[C@]1(c2cnn(-c3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517738 TZQAYXNLCJXTPG-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cncc(Br)c3[nH]2)cc1 587565119 WZRVRQGMFQDTCG-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587568010 JMCUPHXIECFMLZ-UWJYYQICSA-N 350.345 4.543 0 1 FJAF Cc1c(-c2ccnc(Cl)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587621396 DIQSHSKXIWJNJA-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cccc(C(F)(F)F)c1 587650511 YQTQIYRZDDHCSO-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccn2C(C)(C)C)N1 587753426 IRVUNAUTNNREJX-DIFFPNOSSA-N 365.290 4.768 0 1 FJAF CCC[C@@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774163 LTRYIKNAKCKAPW-SGTLLEGYSA-N 363.274 4.561 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ncccc23)N1 587777000 FJTYGJUDSVISNJ-JEOXALJRSA-N 371.253 4.760 0 1 FJAF Fc1c(Br)ccc2nc(COC/C=C\c3ccccc3)[nH]c12 587780666 FVCVDNDREKQHRJ-DAXSKMNVSA-N 361.214 4.695 0 1 FJAF CC[C@@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811835 HTXMIZDCNJDNPD-YJYMSZOUSA-N 362.286 4.970 0 1 FJAF Cc1cc2c(n1[C@H](COc1cc(F)cc(F)c1)N=O)CC(C)(C)CC2=O 587946061 RNYDGLRCCCFVLR-GOSISDBHSA-N 362.376 4.574 0 1 FJAF CCn1nc([C@H]2NCCc3cc(-c4ccccc4)ccc32)c2ccccc21 962666619 KULCLRSCESMVBP-QHCPKHFHSA-N 353.469 4.958 0 1 FJAF CCOC(=O)CCCCC[C@@]1(C2CC2)c2ccc(F)cc2C[C@@H]2CCCN21 963102226 KMOVURYYBMRJQE-NZQKXSOJSA-N 373.512 4.965 0 1 FJAF CC(C)CCN1C[C@@H](C)N(C(=O)Nc2cccnc2)[C@@H](C)c2ccccc21 1772592891 ZBWSUVSRJSCFJB-MSOLQXFVSA-N 366.509 4.931 0 1 FJAF O=C(Nc1cccnc1)c1ccccc1OCc1cc(F)ccc1Cl 1857562292 OEHXDMPLNWXDFJ-UHFFFAOYSA-N 356.784 4.705 0 1 FJAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc3ccccc3c2)O1 95602016 LXZAAEFPJWNERV-QFBILLFUSA-N 366.486 4.807 0 3 FJAF COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2 6483883 FHZPQVBIVBUFQS-AREMUKBSSA-N 372.508 4.643 0 1 FJAF CC(C)Cn1c2ccccc2c2cc(NC(=O)CCN3CCCC3)ccc21 13490273 TWGPOUODHSYXBJ-UHFFFAOYSA-N 363.505 4.875 0 1 FJAF O=C(CCN1CC=C(c2ccc(Cl)cc2)CC1)c1ccc(F)c(F)c1 13834234 PSTRHXXTJCTUNT-UHFFFAOYSA-N 361.819 4.980 0 1 FJAF O=C(O)c1c(-c2ccc3c(c2)OCO3)c2ccccc2n1Cc1ccccc1 26010843 WWKGLBHTXYOGOC-UHFFFAOYSA-N 371.392 4.784 0 1 FJAF CCCN(c1nc(-c2c(C)cc(C)cc2C)n(C)n1)C(C1CC1)C1CC1 26940800 DECAZVXVEKNWNN-UHFFFAOYSA-N 352.526 4.812 0 1 FJAF CN1CCc2cc(Cl)c3nc(O)sc3c2[C@H]2c3ccccc3CC[C@@H]21 34801070 YQVPQEAQYQRWKF-RDJZCZTQSA-N 370.905 4.590 0 1 FJAF CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCNS(N)(=O)=O 45254979 WPQNWDPAOCIOFM-DOFZRALJSA-N 368.587 4.925 0 1 FJAF O=C(Nc1cccc(F)c1)c1ccc(N2CCCC2)c(C(F)(F)F)c1 66078780 XNBIGDMMYPSJKD-UHFFFAOYSA-N 352.331 4.697 0 1 FJAF CC[C@@H](c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F 72113259 KSMUQSCQHJHTDD-CYBMUJFWSA-N 364.461 4.933 0 1 FJAF CCc1nc(-c2ccc(OC)cc2OC)c(CC)nc1NC(CC)CC 72177945 XLUVAJCDSFXIDU-UHFFFAOYSA-N 357.498 4.886 0 1 FJAF COc1ccccc1NC(=O)Nc1ccc(-c2ccnc(C)c2)c(OC)c1 95572375 PCHKXMQANDEOFV-UHFFFAOYSA-N 363.417 4.718 0 1 FJAF Cn1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 95585323 OSFCDVUXRSCVDQ-JOCHJYFZSA-N 353.425 4.949 0 1 FJAF Cc1nnc(C2CC2)n1-c1ccc(Cl)cc1[C@H](N)c1ccccc1Cl 148890076 JLVMAEWBWUMRKB-GOSISDBHSA-N 373.287 4.808 0 1 FJAF COc1cc(OC)c2c(c1)[C@@H]1CCCN1C[C@@H]2c1ccc(SC)cc1 169296486 NHDJBCIYLBSYIT-MOPGFXCFSA-N 355.503 4.708 0 1 FJAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2Cc1ccco1 169315304 HHFBCJPKJKDLMF-VWMXVWASSA-N 359.469 4.738 0 1 FJAF Cc1cc2c(c3c4ccccc4n(COCC[Si](C)(C)C)c13)CNC2=O 169857888 LCBWAQMAAKYDSC-UHFFFAOYSA-N 366.537 4.659 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586886096 DTQXGMRHAMENLV-BDJLRTHQSA-N 350.340 4.607 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(Br)cc3[nH]2)cs1 587021891 RAWIEEKDROTINK-UHFFFAOYSA-N 359.252 4.752 0 1 FJAF C[C@@H]1CCc2sc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2C1 587032822 BGVGSAQAIWLGAL-ZCFIWIBFSA-N 372.803 4.878 0 1 FJAF COc1cccc2nc(COc3ccccc3C3SCCS3)[nH]c12 587041929 QDXRPGYCPLBLPZ-UHFFFAOYSA-N 358.488 4.629 0 1 FJAF COc1cc(F)ccc1-c1cccc(Cc2nc3c(C)nc(C)cc3[nH]2)c1 587158274 BRIPGSJMYPGVFU-UHFFFAOYSA-N 361.420 4.980 0 1 FJAF O=C1c2ccc(O)cc2OC2(CCC(F)(F)CC2)[C@H]1c1ccc(F)cc1 587339319 YSPMTTKIQJZYPX-KRWDZBQOSA-N 362.347 4.838 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccccc32)[C@H]1c1ccc(F)cc1 587351570 KENVQGKMDJTVDZ-GMAHTHKFSA-N 360.384 4.732 0 1 FJAF CS[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587371686 CUKLBQWBUFNNGV-DYXWJJEUSA-N 372.461 4.935 0 1 FJAF CC1(C)CSC[C@]2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587373082 KXMQATYHRAVJOV-NQIIRXRSSA-N 372.461 4.792 0 1 FJAF C[C@]1(c2nc(C(F)(F)F)cs2)CC(=O)c2ccc3c(c2O1)CCCC3 587509980 VCTITDLPUUBHCI-QGZVFWFLSA-N 367.392 4.921 0 1 FJAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1cccs1 587530700 GVLCZIKPTJGHSN-IBGZPJMESA-N 364.470 4.734 0 1 FJAF CCOC(=O)c1c(-c2ccccc2Br)[nH]c2cc(F)ccc12 587632062 COCFCLXPBUBEPZ-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3cn(CC)nc3C)c(N3CCOCC3)c2c1 587642762 ORILSUKKVNEJKA-OAHLLOKOSA-N 366.509 4.710 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CC=C2Cl)N1 587704889 KXNNMYDSIVBFSC-QLJPJBMISA-N 354.650 4.566 0 1 FJAF CCC[C@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C 587955693 TZFLNEINNJPIGF-NSHDSACASA-N 353.260 4.652 0 1 FJAF COC(=O)c1cc2nc(C=C3CCC3)[nH]c2c(F)c1Nc1ccccc1 587965061 MYMVFZULWDDPFD-UHFFFAOYSA-N 351.381 4.800 0 1 FJAF CO[C@@H](C)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460243 BQXYXRGHAYTBOA-MAUKXSAKSA-N 364.482 4.725 0 1 FJAF biogenic CC(C)n1c(=O)c2c(-c3ccc(C(F)(F)F)cc3)ncn2c2ccccc21 13758855 SEVYIJDPNSXFEB-UHFFFAOYSA-N 371.362 4.916 0 1 FJAF CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12 27856205 CMHJMUZTXMDMKL-SJLPKXTDSA-N 350.384 4.809 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34315805 YEULSAXOJYTLCB-KOGSIGDGSA-N 359.554 4.739 0 1 FJAF Oc1cccc2cc(Nc3c(-c4ncccn4)oc4cnccc34)ccc12 34891450 VWKOZUNKVKWHGC-UHFFFAOYSA-N 354.369 4.887 0 1 FJAF COc1cccc(NC(=O)N[C@@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 35858598 PCLRZJXNOSUFJJ-MRXNPFEDSA-N 360.841 4.773 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 36271690 MRDOIVGFARRMGI-CGXNFDGLSA-N 359.473 4.779 0 1 FJAF CCCCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 40395570 CZEISBIRIOKVEF-UHFFFAOYSA-N 365.260 4.776 0 1 FJAF Oc1ccc(-c2nc3cc(O)cc(Br)c3o2)c(C(F)(F)F)c1 40980453 ULWPPDODVHEVDX-UHFFFAOYSA-N 374.112 4.687 0 1 FJAF CSc1ccc([C@@H](O)c2nnc(Nc3c(C)cccc3C)s2)cc1 82078464 SOUUOOOHBHVOEH-MRXNPFEDSA-N 357.504 4.702 0 1 FJAF COc1ccc(Oc2nccc([C@@H](C#N)c3nc4ccccc4s3)n2)cc1 116418637 DOJMTDCTCJKZNL-OAHLLOKOSA-N 374.425 4.543 0 1 FJAF Cc1cccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)c1 140109732 GHURNCZKBNHMLL-UHFFFAOYSA-N 352.441 4.604 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2cnc3ccn(C)c3c2)n1 142123495 JZGZLOXQSNHWOB-LJQANCHMSA-N 369.472 4.828 0 1 FJAF C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@@H]4C4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 148066358 NGPGHBZFVCFLRH-WVAJDUESSA-N 374.528 4.620 0 1 FJAF CC(C)CC(=O)Nc1ccc(-c2ccc(NC(=O)CC(C)C)cn2)cc1 169312967 YOKDIOCDGHTANZ-UHFFFAOYSA-N 353.466 4.718 0 1 FJAF C[C@@H]1CC[C@@]2(C)C(OC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 238733312 PPQVAHQHYRDJTI-NUUNWFIMSA-N 374.477 4.967 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)cc1 586879540 KEYFNTBTXZXOBN-UHFFFAOYSA-N 368.396 4.780 0 1 FJAF O[C@H]1C[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586903432 OTXFUQILIRXVME-WFASDCNBSA-N 350.365 4.744 0 1 FJAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(Br)cc(Cl)c2[nH]1 587089981 JUEDMXZSLHOSHD-MRVPVSSYSA-N 365.939 4.902 0 1 FJAF CCOC(=O)[C@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 587097253 JZPZCUIKKZBKAC-SCLBCKFNSA-N 371.436 4.594 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1Br)O2 587378567 VRTJJVPYDNJXCS-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3nc(Cl)ccc31)CC2=O 587463726 ZXYWFGUXJGGIJF-HXUWFJFHSA-N 357.837 4.590 0 1 FJAF CCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 587480474 KFYCLBYIXCKCGN-HXUWFJFHSA-N 356.418 4.546 0 1 FJAF CC(C)c1nn(C)c(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499676 MERHAWQRMWYCGV-INIZCTEOSA-N 358.869 4.782 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCCc1ccccc12 587603913 QCLFYGFROBNCIG-ZJSXRUAMSA-N 372.420 4.976 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3sccc32)N1 587856954 JUBZCZOQNZMBKW-BTDLBPIBSA-N 366.299 4.764 0 1 FJAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1ccc(Cl)cc1 653709046 PFNJQYIMEKKUGJ-UHFFFAOYSA-N 350.805 4.678 0 1 FJAF COc1cccc2cc3c(nc12)[C@](c1ccccc1C)(C(F)(F)F)NCC3 963057214 MNTOGBXBUAXMCO-HXUWFJFHSA-N 372.390 4.503 0 1 FJAF CC(=O)OC[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 2356428244 CSQRHRPGMJMXPY-RGMHLJPOSA-N 374.477 4.619 0 1 FJAF CC(C)N(Cc1cccc(-c2cncnc2)c1)C(=O)c1cc2ccccc2o1 2382228818 WJTNRSCJNBGZMA-UHFFFAOYSA-N 371.440 4.941 0 1 FJAF COc1cc([C@H](O)c2nc(-c3cnc4ccccc4c3)cs2)ccc1F 205215281 OMWHYQCLVWSCLA-IBGZPJMESA-N 366.417 4.588 0 3 FJAF COc1cccc(-c2nnc3c(-c4ccccc4)nc4ccccc4n23)c1 1658173 SOZOSUYGIYYJSO-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF CCCCCCNC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(CCC)[C@@H]1C2 13453900 JMKIHVULQFDEGK-IRLDBZIGSA-N 358.526 4.653 0 1 FJAF CN(CC1CC1)[C@@H]1CCCC[C@H]1N(C)C(=O)Cc1cccc2sccc12 27894441 BLQSPWHFSRSTAS-WOJBJXKFSA-N 370.562 4.555 0 1 FJAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@@H](C(=O)OCCCc2ccccc2)C1 29403209 PKDKAGWKUOJCLX-SFTDATJTSA-N 371.908 4.551 0 1 FJAF O=C(CCCCCC(=O)Nc1cccc2cccnc12)Nc1ccccc1 38788946 GUBUIRSZXSUXNW-UHFFFAOYSA-N 361.445 4.763 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(F)c(F)cc12 63540311 VJKJKZOWXJKSSK-UHFFFAOYSA-N 368.265 4.571 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H](COCCCc2ccccc2)[C@H]2CC[C@H]1O2 169321651 WOGCVPJHUOMABS-VKDYOCJVSA-N 372.505 4.631 0 1 FJAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccncc2)c1 218299179 FHMCPGZWXSKGLZ-NRFANRHFSA-N 357.413 4.608 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 299886437 XEOAYELRNLQUJL-GJYPPUQNSA-N 366.509 4.663 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586896873 SYDOOPAWVAOION-UHFFFAOYSA-N 366.323 4.924 0 1 FJAF Cc1cc(C)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)n1 586988137 LSLZHGQDEYHHLI-UHFFFAOYSA-N 368.392 4.536 0 1 FJAF Nc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cc1N 587048577 CNPCZKDSGKYNMS-UHFFFAOYSA-N 362.820 4.527 0 1 FJAF O[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccccc1Cl 587058309 FHCNNQNYUQQAEL-FQEVSTJZSA-N 364.832 4.877 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587240562 VVAIERYVJHTPKG-UHFFFAOYSA-N 368.746 4.701 0 1 FJAF Nc1ccc(C(=O)CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587252110 WHFPREMJHKNEAJ-UHFFFAOYSA-N 365.380 4.573 0 1 FJAF C[C@]1(C(=O)c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503463 UOKRLMMMDPQAHC-OAQYLSRUSA-N 354.833 4.826 0 1 FJAF COC(=O)CCCC[C@@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525013 OTRSGPIHZJEZJI-QRQCRPRQSA-N 358.478 4.659 0 1 FJAF CCc1c(-c2cc(Br)ccc2F)[nH]c2c(C(=O)O)cccc12 587638027 SPDPSEKBJHXMCI-UHFFFAOYSA-N 362.198 4.997 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccccc3)C2)N1 587819246 UPAQMWPOIYHNEP-CMQUCMFRSA-N 360.270 4.895 0 1 FJAF C[C@H]1c2ccccc2C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824020 SXIGMTGBNXMQMN-UFYHVXEKSA-N 360.270 4.678 0 1 FJAF COc1ccc(C2(c3nc4cc(OC)c(F)cc4[nH]3)CC3(CCC3)C2)cc1 587934915 IAZDWDJWJFYRCF-UHFFFAOYSA-N 366.436 4.969 0 1 FJAF O=C(O)[C@H]1CNCC[C@@H]1CCC/C=C/c1ccccc1Cc1ccccc1 653717805 AKXGWGRZWVHTLW-ITSHMZIZSA-N 363.501 4.771 0 1 FJAF Cc1cccc2ccc(N3CC[C@H](C(=O)N[C@H](C)C(C)C)C(C)(C)C3)nc12 1772571150 BHSFBOJPHKXDOI-IEBWSBKVSA-N 367.537 4.556 0 1 FJAF CCc1ccccc1-c1cccc2cc(CN3CC(C(=O)O)C3)sc12 1772578989 NRMSYCGUYUEQRF-UHFFFAOYSA-N 351.471 4.647 0 1 FJAF CCNC(=O)Nc1cc2c(-c3ccncc3)ccc(-c3cccnc3)c2cn1 1772592888 YXBBGIQQSYFFLN-UHFFFAOYSA-N 369.428 4.500 0 1 FJAF Cc1cc(-c2nc(-c3ccc(Cl)cc3)n3c2CCO[C@H](C)C3)cc(C)n1 1772627745 XSRXLPIHSVEXRR-OAHLLOKOSA-N 367.880 4.844 0 1 FJAF CC(=O)O[C@]1(C)CC[C@H]2O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@@]2(C)O 2356600934 DVOLXISDJJZOLW-CIAFKFPVSA-N 364.526 4.710 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](c3ccccc3)O[C@@H]2CCc2ccccc2)O1 61920924 FUGBLUHWHLQXMH-MOPGFXCFSA-N 364.441 4.713 0 3 FJAF CC(C)(C)OC(=O)N1CCC(c2ccc[nH]2)(c2c[nH]c3ccccc23)CC1 203451791 ACKQTGGKPGIXOS-UHFFFAOYSA-N 365.477 4.813 0 3 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3C4=CC=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 920320 QLMXZKMIBONXSF-QUUXARLESA-N 354.490 4.926 0 1 FJAF COc1cccc2c1-c1ccc3c(c1[C@H](CC(=O)O)O2)C(C)=CC(C)(C)N3 13470750 HXGINZRMCUIHOF-KRWDZBQOSA-N 365.429 4.878 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(Cc2ccn(-c3ccccc3)c2)CC1 13744957 VDEUXXAFBFOEGY-UHFFFAOYSA-N 366.892 4.614 0 1 FJAF Clc1ccc(C(c2ccc(Cl)cc2)(c2c[nH]cn2)n2ccnc2)cc1 27433797 VNZOJVOEPFPLRY-UHFFFAOYSA-N 369.255 4.753 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N1CCCC1 28238215 NRVOCEKOSKQIOD-IAGOWNOFSA-N 355.309 4.753 0 1 FJAF CCn1c(NC2CCN(C/C=C/c3ccccc3)CC2)nc2ccccc21 29569651 FOWQBUZTBQEMRT-DHZHZOJOSA-N 360.505 4.646 0 1 FJAF COc1ccc(-c2nc3cc(C(=O)O)ccc3n2C2CCCCC2)cc1 35001680 JMZLISOHAMKGLQ-UHFFFAOYSA-N 350.418 4.915 0 1 FJAF Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4ccc(F)cc4)cc3)c12 36176964 RPCMGDNNIFRGGQ-UHFFFAOYSA-N 361.380 4.595 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 40492369 ZRESSCVMJGYKHQ-KVLFQYKSSA-N 354.490 4.577 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187547 XQDGLXYMCNHROE-HNNXBMFYSA-N 369.488 4.790 0 1 FJAF Fc1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2F)C1 95587566 YLUOJFMUQNEWHZ-ROUUACIJSA-N 358.476 4.651 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152340 NNUZSHSDIMQZLW-HUUCEWRRSA-N 362.520 4.578 0 1 FJAF Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(cc2c1N)CCC3 391769168 NSAYANVODUBNPU-UHFFFAOYSA-N 357.866 4.581 0 1 FJAF CC(C)C[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989958 GWVVCXNPXDXFJZ-CYBMUJFWSA-N 371.436 4.797 0 1 FJAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2cn1 587094769 GOTYEYLRSXKFSR-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5ccccc5cc4[nH]3)cc2N1 587126112 VHQVJYZGCYGGPQ-MGPLVRAMSA-N 371.366 4.887 0 1 FJAF Fc1cccc([C@@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587149716 AHEJLMNFVWICBL-NKWVEPMBSA-N 374.700 4.526 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(O)cc3[nH]2)c1 587196239 VITDZPQDWNGWGL-UHFFFAOYSA-N 353.422 4.615 0 1 FJAF COc1ccccc1-c1cccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587398608 FURPYNOXLMGEPY-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCCF)cc1)CC2=O 587465000 DUJMNICPFUMNHD-NRFANRHFSA-N 358.409 4.574 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCc1ccc(OC)cc1C)CC2=O 587482104 RXNUKOFAHMLIBG-KRWDZBQOSA-N 354.446 4.628 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2c(c1)CCC2 587600653 BQWLEDDRVGIVDN-NFBKMPQASA-N 358.393 4.584 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NCc1ccccc1Cl 587629120 VGXKBFVWWHKSCC-UHFFFAOYSA-N 351.208 4.852 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@](O)(c3nccn3C)C(F)(F)F)c2c1 587642972 XYLDUTVSTJAARU-BBATYDOGSA-N 365.399 4.522 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Cl)c2)N1 587696236 DQBYNMRLCFKVHX-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)c1 587781193 RZIKXJFEEBBQKE-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587822561 LGSWSSGHTQAGQO-PGICJIBASA-N 374.297 4.948 0 1 FJAF CSc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845256 DEDWDICWTUGTBP-GLEZIHRCSA-N 372.328 4.995 0 1 FJAF CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@@H]1c1ccc(Cl)c(Cl)c1 653707757 NXFBQGHZUYEBSV-MRXNPFEDSA-N 369.635 4.886 0 1 FJAF CCOP(=O)(OCC)[C@H](CCCc1ccccc1)CSC(C)=O 1772589483 REPHMPMKUHEYEJ-QGZVFWFLSA-N 358.440 4.924 0 1 FJAF COc1cccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)c1 1857764735 MZCMRLOLSMOIFF-UHFFFAOYSA-N 364.344 4.778 0 1 FJAF Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1 3815048 MEIUULSQALVLOO-UHFFFAOYSA-N 371.263 4.933 0 1 FJAF C[C@]12CCC(=O)C[C@@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 6417112 WKSLITSQKVNEJV-SCVHRVOQSA-N 352.474 4.538 0 1 FJAF biogenic OC1(c2ccc(Cl)cc2)CCN(Cc2ccc(C(F)(F)F)cc2)CC1 13553169 DUGOWPBTYKTTCP-UHFFFAOYSA-N 369.814 4.842 0 1 FJAF CC[C@H](C)CCCCCC[C@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684450 GJFDABNJIPKXMS-SESVDKBCSA-N 360.542 4.883 0 1 FJAF biogenic CCCc1nc(-c2cc(C)c(OCCCc3cc(C)no3)c(C)c2)no1 26499316 HUNODXPDPIOCRR-UHFFFAOYSA-N 355.438 4.614 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@H](C)C=C4)O[C@@H](C)CC3=O 29132936 WEMNDZLFVVGGDI-ZJUUUORDSA-N 374.820 4.547 0 1 FJAF COc1ccc(Cn2ccc3c(-c4cccs4)nc(Cl)nc32)cc1 64442560 ZJOMWAVTPBVDRT-UHFFFAOYSA-N 355.850 4.870 0 1 FJAF CCCOc1ccccc1-c1ccc2nc(NC(=O)NCC)sc2c1 95605595 CLWVQLOCWRTTEC-UHFFFAOYSA-N 355.463 4.894 0 1 FJAF O=C(c1cc(Cl)c(O)c(Cl)c1)N1CCC[C@H]2c3ccccc3C[C@@H]21 96169443 NWMUBQREWQXIEK-YOEHRIQHSA-N 362.256 4.644 0 1 FJAF CN(C)C1(c2ccccc2)CCC2(CC1)c1[nH]c3ccccc3c1CCN2C 299834934 VXVAWKPPWFZANA-UHFFFAOYSA-N 373.544 4.882 0 1 FJAF CC(C)(SCC(=O)O)c1nc2ccc(Sc3ccccc3)cc2[nH]1 586958469 DKGWONLOKASQRY-UHFFFAOYSA-N 358.488 4.767 0 1 FJAF Cc1cncc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587000544 HTANSPYAIONHME-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF CCOC(=O)[C@@H](C)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587107123 PMHRYHMGPFPKEW-ZDUSSCGKSA-N 359.425 4.675 0 1 FJAF Cc1c(Br)cc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1C 587174976 UXRKTGNPXBLESN-HNNXBMFYSA-N 361.214 4.758 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1sc(-c3ccccc3)cc1N)O2 587412169 XWYVQSRVGBPQGR-NRFANRHFSA-N 364.470 4.769 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)([C@H](C)c1nc4ccccc4s1)[C@@H](C2)C3=O 587451234 JGVDWONLDDNVSZ-MGOULQTBSA-N 365.454 4.615 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)c(F)c1F)CC2=O 587466506 OEMSAOJJXVXHRT-AWEZNQCLSA-N 354.299 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C)c1OC(F)F)CC2=O 587468023 WCJQCTPGHYBBKJ-KRWDZBQOSA-N 362.372 4.961 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(F)c1Cl)CC2=O 587468031 WEYMPEIFWBLICS-OAHLLOKOSA-N 352.764 4.983 0 1 FJAF O=C1C[C@@H](c2[nH]c3nccc-3cc2Cl)Oc2c1ccc1c2CCCC1 587499348 ILBYFHCFYRHDSG-KRWDZBQOSA-N 352.821 4.753 0 1 FJAF Cc1csc2nc(Cl)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n12 587539679 XITQHOMORZAWCZ-OAHLLOKOSA-N 372.877 4.943 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccccc1C(F)(F)F 587650218 PYHNTDJBSJHPPH-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2F)N1 587725188 CAYMLPWGAFVLPR-HUTHGQBESA-N 370.212 4.664 0 1 FJAF Cc1cc(O)cc(C)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587833722 PARHBNXPGNPOMT-BBATYDOGSA-N 364.258 4.534 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)s2)N1 587846807 IEHJJTFJXRZGQB-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)c2)N1 587846838 IOICNAWGUUYBLY-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587963110 LNUULRCKECHRJZ-QWHCGFSZSA-N 361.470 4.997 0 1 FJAF CCCCn1nc([C@H]2c3ccsc3CCN2Cc2cccnc2)cc1C 962994481 DINBJDMGJIZGIW-OAQYLSRUSA-N 366.534 4.596 0 1 FJAF Cc1cc(C)n([C@H]2CCC[C@@]3(C2)NCCc2c(Cl)cc(Cl)cc23)n1 963108381 NTZMLWATKOSIIH-KXBFYZLASA-N 364.320 4.963 0 1 FJAF Fc1cccc2c1[C@]1(CCCC[C@H]1N1CCCCCC1)N1CCC[C@@H]1C2 963113056 YZKNTCIOOVYOOJ-KJXAQDMKSA-N 356.529 4.860 0 1 FJAF CCC1=C[C@@]2(CCC1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188134 VPIVXPLAZDPRJB-DOTOQJQBSA-N 373.802 4.673 0 1 FJAF Cc1nn(-c2ccc(F)cc2)c2ncnc(Nc3ccc(F)c(Cl)c3)c12 2382254390 RSNDESFUJYJZCD-UHFFFAOYSA-N 371.778 4.799 0 1 FJAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773707 IELQGFDXOKBRPN-CQSZACIVSA-N 352.409 4.922 0 1 FJAF O=C(Nc1cc(-c2ccccc2)nn1-c1ccccc1F)c1ccccc1 13704378 VUIVNEVSWBSGCC-UHFFFAOYSA-N 357.388 4.931 0 1 FJAF O=C(CCCCCCc1ccccc1)NCCc1c[nH]c2ccc(O)cc12 14979710 QQBDEDWKRBGEJB-UHFFFAOYSA-N 364.489 4.725 0 1 FJAF CCc1nc(Nc2ccc(Cl)cc2Cl)c(C(N)=O)n1C(CC)CC 28458580 GCUDGCYQMVYOIG-UHFFFAOYSA-N 369.296 4.956 0 1 FJAF COc1cccc2oc(/C=C/c3ccc(OC(F)(F)F)cc3)cc(=O)c12 43070066 ROVISXKPBZKOLQ-JXMROGBWSA-N 362.303 4.871 0 1 FJAF CC[C@H](C)CN1CCCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 45189214 SXKVYMFSOXTTJQ-KRWDZBQOSA-N 371.550 4.559 0 1 FJAF O=C(O)C[C@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 72118656 HYWQLQSKSZZSAJ-LBPRGKRZSA-N 352.217 4.581 0 1 FJAF Cc1cccc(C)c1Nc1nnc([C@H](O)c2ccc(F)c(Cl)c2)s1 82081864 ACKOZALYOMTOJW-OAHLLOKOSA-N 363.845 4.773 0 1 FJAF c1cc(OCC2CCCCC2)c2nc(-c3nnc4ccccn34)ccc2c1 96174958 BPAWQQVJZJUJNR-UHFFFAOYSA-N 358.445 4.904 0 1 FJAF O=C1c2ccccc2[C@@H](c2ccc(Cl)cc2)N1c1ccc2[nH]cnc2c1 116195185 RLFNSKPXUSVZSQ-HXUWFJFHSA-N 359.816 4.966 0 1 FJAF C[C@@H](c1ccccc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222372860 BSXBVSWEULDBKN-HNNXBMFYSA-N 367.452 4.668 0 1 FJAF COc1cc(C(=O)OCC=C(C)C)nc2c(OC3CCCC3)cccc12 299821941 COROYMSJFCKUMF-UHFFFAOYSA-N 355.434 4.688 0 1 FJAF CCCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@@H]2[C@H]1c1ccccc1 299849221 ZAQZOHNCTFTXGU-LNRSPMNRSA-N 359.517 4.845 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c(F)c3[nH]2)cc1 586886150 DWKUBHIXNGYXOV-QFYYESIMSA-N 363.230 4.610 0 1 FJAF N=c1[nH]c(-c2cccc(-c3nc4cccc(C(F)(F)F)c4[nH]3)c2)cs1 587022029 STLXQSBLAKBPIJ-UHFFFAOYSA-N 360.364 4.785 0 1 FJAF Fc1cnc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2c1 587072095 VFVWJBXKQYXXCW-UHFFFAOYSA-N 353.784 4.996 0 1 FJAF COc1ccc(-c2nc3cc(Cl)cc(Br)c3[nH]2)c(Cl)n1 587088449 WQFKIEIVMBNXCX-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CCOC(=O)[C@H]1CC[C@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587106646 MPIUMTSAYYLCEO-GUYCJALGSA-N 371.436 4.990 0 1 FJAF Fc1cc2[nH]c(-c3cncc(C(F)(F)F)c3)nc2cc1Br 587114959 AVEKIBWSLKQWFT-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Nc1cc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)ccc1F 587139366 HQRKJZHIWVCCRS-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cccc(C)c3nc1Cl)O2 587380280 SKYXPVVNNXSDGW-QGZVFWFLSA-N 352.821 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(=O)Nc3ccccc3)cc1)O2 587389526 KZABAJGDXULUMU-OAQYLSRUSA-N 372.424 4.536 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)c3ccccc3)cc1)O2 587402473 DHZBSHIUXPLKAV-OAQYLSRUSA-N 373.408 4.503 0 1 FJAF C[C@]1(c2c(N)sc3c2CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587536119 RMVADHIMOKDMEE-OAQYLSRUSA-N 353.487 4.578 0 1 FJAF CSC(C)(C)C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608120 OQXNCYDBRIOYSE-OXQOHEQNSA-N 358.459 4.644 0 1 FJAF CC(C)(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587618708 QAOXQWXUUPZBQD-FVJLSDCUSA-N 370.470 4.644 0 1 FJAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CN(C)C)cc1OC 587630791 PNAGAKRHKWSALP-UHFFFAOYSA-N 362.832 4.706 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3c2)N1 587777725 JEZDXQUBCXBWKG-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)c1 587780449 AMXCNNAVCJPKOZ-UHFFFAOYSA-N 374.396 4.516 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]3C=C[C@@H]2C3)N1 587818535 ILOPIXBKEZRLNQ-HWGYDIEMSA-N 350.275 4.550 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CCc3ccccc32)N1 587822558 LFZVKFDRWNNBPW-VZMUKZCBSA-N 360.270 4.894 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(Cc3ccccc3[C@H]2C)N1 587824882 ZWBFRFRBPJSGAB-HNYWDRBLSA-N 360.270 4.678 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncnc2ccccc12 587863311 XTIXZKKRWZUJJE-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1csc(C)c1 587864649 RAFJHZXSNNGNCL-UHFFFAOYSA-N 366.364 4.636 0 1 FJAF COc1ccc(/C=C\Cc2nc3ccc(OC(C)C)cc3[nH]2)c(OC)c1 587929037 KMAPGJMWDGASHR-WAYWQWQTSA-N 352.434 4.623 0 1 FJAF CCC[C@@]1(Cc2ccco2)c2ccsc2CCN1Cc1cccn1C 962375034 QVHGUYJFBJOSCY-OAQYLSRUSA-N 354.519 4.976 0 1 FJAF Cc1ccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)c(F)c1 1857533900 JISSGCIZHYKVCC-UHFFFAOYSA-N 369.827 4.992 0 1 FJAF COc1cccc(C(=O)Nc2cc(F)c(Oc3ccc(O)cc3)c(F)c2)c1 1857630273 SRAPZUMSDHQCDQ-UHFFFAOYSA-N 371.339 4.724 0 1 FJAF C=CC(C)=CC[C@@]1(C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1C 2356628060 FYPQSDLATSBJTO-XTYSOYBWSA-N 360.494 4.914 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@H](c3ccccc3)O[C@@H]2CCc2ccccc2)O1 61920926 FUGBLUHWHLQXMH-RTBURBONSA-N 364.441 4.713 0 3 FJAF CC[C@@]1(C)Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 239412448 SRVWTLNJDVKCIU-IBGZPJMESA-N 372.515 4.823 0 3 FJAF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 777256 RRYPTSITHNANOB-UHFFFAOYSA-N 352.837 4.817 0 1 FJAF Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3F)nc2c1 13819584 ZEEQYTIKUFHZFH-UHFFFAOYSA-N 367.468 4.704 0 1 FJAF Cc1nc2cc(-c3ccco3)nn2c(-c2ccc(Cl)cc2Cl)c1CN 35967113 TWKSRTMSUZOWTE-UHFFFAOYSA-N 373.243 4.730 0 1 FJAF c1cc2c(c(OCCCN3CCCCC3)c1)CCN(CC1CCCCC1)C2 36188060 MFWQFYNHTSRESD-UHFFFAOYSA-N 370.581 4.880 0 1 FJAF O=C(O)C[C@H](O)CCc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1 45245353 WAQGXNYSPYKOPK-OAQYLSRUSA-N 358.437 4.693 0 1 FJAF O=C(O)C[C@@]1(C2CCC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49067639 LEJRNUOQQNRWRO-KRWDZBQOSA-N 354.233 4.518 0 1 FJAF CCc1ccc(NC(=O)c2cnn3c(C)cc(-c4ccccc4)nc23)cc1 66136283 AIUVRXYMVLUFQP-UHFFFAOYSA-N 356.429 4.519 0 1 FJAF Cc1nc(-c2ccccc2)sc1[C@H]1SCC(=O)N1c1ccccc1 95564302 BACZWZIILFKBAV-LJQANCHMSA-N 352.484 4.897 0 1 FJAF COc1ccc([C@@H]2[C@@H]3CC[C@@H](C[C@H]2c2ccc(C)cc2)N3C)cc1OC 101065934 UBUINJQFQXKDNL-MXBUBSDBSA-N 351.490 4.746 0 1 FJAF Cc1cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2cc1Br 587016310 JOJQMRWWHJQJJM-CYBMUJFWSA-N 364.268 4.609 0 1 FJAF Cn1ccnc1[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587103902 CACJLFFHLLWLOI-KRWDZBQOSA-N 365.436 4.648 0 1 FJAF Cc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587198381 ZYWQDJDBAKMMBF-IBGZPJMESA-N 351.450 4.837 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587241967 MFZNSRLFKCBCAY-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc1 587251121 YUNKWJOBIOLKDC-UHFFFAOYSA-N 369.403 4.804 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccc(Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587424006 WLPMOPSKEQSNOB-LAUBAEHRSA-N 356.849 4.734 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(Cc4ccccc4)cc1)[C@@H](C2)C3=O 587445533 KUVUQGPXWWCVEW-SQJMNOBHSA-N 370.448 4.949 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1c1ccccn1)CC2=O 587488803 KCMRXJUURSULEI-VGSWGCGISA-N 351.446 4.802 0 1 FJAF COCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587504924 OPZJICLRSXQTAF-QFIPXVFZSA-N 354.421 4.602 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1F 587557647 OFDQUZBKSZOQAN-OXQOHEQNSA-N 372.298 4.512 0 1 FJAF COc1ccc(-c2ccc(O)c(-c3cc4cc(C(=N)N)ccc4[nH]3)c2)cc1 653833362 FTVFVAVHIDZZCM-UHFFFAOYSA-N 357.413 4.500 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1cccs1)C1CCCC1 963059172 SRLYEXMBAUIXTB-QFIPXVFZSA-N 364.514 4.884 0 1 FJAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccc(Cl)cc1 1857766951 FCNYLILITSILTI-AWEZNQCLSA-N 355.762 4.507 0 1 FJAF CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CC=CCCCCCC(=O)O 2356506825 QJJOLZOJRISMDP-LEWJYISDSA-N 362.510 4.715 0 1 FJAF CC[C@@H]1C(=O)C[C@H]2CCN(C(=O)c3ccc(Cl)cc3)[C@H]3CCC[C@@H]1[C@@H]32 211060599 NVELLWVIDLSJSJ-VTRWRZSMSA-N 359.897 4.586 0 3 FJAF O=C(Nc1ccc(F)cc1F)c1cc2c(=O)oc3ccccc3c2s1 2494669 XFDJHYLCFZACSZ-UHFFFAOYSA-N 357.337 4.538 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@H]1C(C)(C)C[C@H](OC(=O)CC(=O)O)C[C@]21C 14411031 GGTKOGAGTWFKDW-WCAVRKLYSA-N 372.505 4.837 0 1 FJAF CCOc1ccc(-c2nc(-c3ccc(C(=O)O)cc3)cs2)cc1OCC 27184315 GLWZNXDMMNXIOW-UHFFFAOYSA-N 369.442 4.973 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 28825421 VSHUCQXNUSYTML-JWTNVVGKSA-N 356.491 4.517 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29409852 QHNHXSFBBNVOAL-SWAAAPHVSA-N 374.613 4.808 0 1 FJAF CN(C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C)c1ccccc1 36271742 QBSLGQKCSOHHBR-UWHLTILDSA-N 368.908 4.569 0 1 FJAF CCCN(CCC)CCCCNC(=O)c1ccc(-c2ccccc2)cc1 40943488 HXCWGVSINJYYSW-UHFFFAOYSA-N 352.522 4.986 0 1 FJAF in-vivo COc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1 71316091 KRYGTGYIYKGNQR-UHFFFAOYSA-N 361.441 4.992 0 1 FJAF CCc1c([C@H](C)c2c(F)cccc2F)nc(S[C@@H](C)CC)[nH]c1=O 169352248 MLMDHCXMTSRTJR-WDEREUQCSA-N 352.450 4.653 0 1 FJAF CCCCC[C@H](C)/C=C\[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCC(=O)O 238809196 LYZHABRCUXYPHQ-XIYVOTBMSA-N 366.542 4.708 0 1 FJAF N[C@H](c1ccsc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587028402 XQPNVMAWNJXAFX-QGZVFWFLSA-N 362.483 4.949 0 1 FJAF C[C@@H](C(=O)O)c1ccc(C[C@@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587216101 ZLTWNBPNYSDOIG-KDOFPFPSSA-N 357.453 4.794 0 1 FJAF CC(C)(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587352166 INWKDJFUDCUEGT-UEUGHCDMSA-N 370.420 4.607 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ccc(F)cc13)CC2=O 587473299 ZPUKLFVFDMOIOM-FQEVSTJZSA-N 353.393 4.682 0 1 FJAF O=C1C[C@H](c2cccn2CCc2ccccn2)Oc2c1ccc1c2CCCC1 587514528 ZITFXRHHGQFECX-HSZRJFAPSA-N 372.468 4.711 0 1 FJAF COCCCOc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587525279 UJYGAXCGDPQHBO-JOCHJYFZSA-N 366.457 4.687 0 1 FJAF FC(F)(F)Oc1cc2nc(CCOCc3ccccc3)[nH]c2cc1Cl 587565666 HKXZXOHNVIMQDI-UHFFFAOYSA-N 370.758 4.874 0 1 FJAF C[C@]1(c2cccc(F)c2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569176 PHVSBSGPCQEITH-DYESRHJHSA-N 368.335 4.547 0 1 FJAF Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587588161 JVIJFLIDRNHHEI-CVDCTZTESA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2[C@@H]2CCC[C@@H]12 587601382 DAGUIFXYYOSUSH-ONNSDSSDSA-N 362.425 4.549 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)cc(F)c2)N1 587733030 PNUMFMPUTJNMEL-XYZCENFISA-N 370.212 4.664 0 1 FJAF Cc1ccccc1C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810260 CHTGZMMCSBVOFH-YJYMSZOUSA-N 362.286 4.889 0 1 FJAF CCc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587832219 ZWMQQOBEIPEFNZ-DYZYQPBXSA-N 352.247 4.541 0 1 FJAF CSCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587845565 NKLKYTHPIIRODN-FVMDXXJSSA-N 370.287 4.668 0 1 FJAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@@]2(C)CCC(C)=CCOC=O 2356489644 DZICGSYWAZOKHD-HGIWEUDGSA-N 362.510 4.838 0 1 FJAF CC=CC=CC=C1CO[C@@](C)(OC)[C@@H]1OCc1c(O)cccc1CCC 2356722305 CMGDDPIWFSGFBB-FGZHOGPDSA-N 358.478 4.681 0 1 FJAF CSc1ccccc1OCc1cc(C(=O)NCCC2=CCCCC2)no1 12055380 LYIXOWXWMDYFCT-UHFFFAOYSA-N 372.490 4.596 0 3 FJAF CCN(CC)CCCOC(=O)CC1c2ccccc2C=Cc2ccccc21 4655754 XHNZGIZVNQUFQU-UHFFFAOYSA-N 363.501 4.968 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 5440638 RDPJISLOFXUIDK-WNWBQRPISA-N 357.538 4.515 0 1 FJAF C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3cccc(C4CC4)n3)[C@H]12 13673133 QMSKLNCAYDTPAV-MRVUADMWSA-N 351.490 4.976 0 1 FJAF CCN1CC=C(c2ccccc2)[C@H](C(=O)OCCCC2CCCCC2)C1 13782841 YWVSSQLUZFXDNG-JOCHJYFZSA-N 355.522 4.925 0 1 FJAF CC(C)(C)c1cc(/C=C2\C(=O)Nc3ncccc32)cc(C(C)(C)C)c1O 36774231 PEWCKIZLBXHCMC-GDNBJRDFSA-N 350.462 4.875 0 1 FJAF aggregator CCC[C@H]1CNC(=O)C12CCN(C1(c3cccs3)CCCCC1)CC2 38147578 IRTZXVDUADKVCC-KRWDZBQOSA-N 360.567 4.536 0 1 FJAF CC1(C)C[C@@H](NC(=S)Nc2ccsc2)c2cc(Cl)ccc2O1 45350115 AALITLCSHSADSP-CYBMUJFWSA-N 352.912 4.990 0 1 FJAF C[C@H](C1=C(CCN(C)Cc2ccncc2)Cc2ccccc21)c1cnccn1 66076833 QORUSIWOKHYRCP-SFHVURJKSA-N 370.500 4.507 0 1 FJAF CCCCOc1cc(NC(=O)NC[C@@H](C)c2ccccc2)ccc1OC 95563433 OHUCTSMSYUYLJF-MRXNPFEDSA-N 356.466 4.799 0 1 FJAF C[n+]1c(CCCOc2ccccc2)cccc1CCCOc1ccccc1 95584306 HLXANZVXURKUJH-UHFFFAOYSA-N 362.493 4.534 0 1 FJAF Cc1cccn2c([C@H]3CC(c4ccc(F)cc4)=NN3)c(-c3ccccc3)nc12 95591645 LCAZGHNRWHWAEP-HXUWFJFHSA-N 370.431 4.888 0 1 FJAF O=c1oc2ccccc2c2c1[C@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 102852930 SEGJAJKMRUZQIS-UGKGYDQZSA-N 374.417 4.762 0 1 FJAF O=C(Nc1ccsc1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167950737 VWINHOJVMLOQGC-UHFFFAOYSA-N 363.442 4.548 0 1 FJAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2S[C@@H]31 220444131 NTSHLXDNFFHWNE-IBGZPJMESA-N 370.861 4.633 0 1 FJAF Cc1ccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959799 MJIXQNJFDVRGBP-SANMLTNESA-N 360.482 4.910 0 1 FJAF CCOC(=O)c1ccc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587098343 QLTQYSUQSPNDKX-NSHDSACASA-N 362.351 4.910 0 1 FJAF CC(=O)c1ccc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135130 TUDZUHHSHFRBMY-HWKANZROSA-N 352.262 4.631 0 1 FJAF CCn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342813 PVXBWYCRSICCGO-RBBKRZOGSA-N 365.404 4.627 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1c(C)c(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587445692 MVLLGFKBNXKZTB-MBSDFSHPSA-N 350.458 4.900 0 1 FJAF CCOC(=O)c1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587525116 QBYPFCGXURGZOO-HSZRJFAPSA-N 364.441 4.623 0 1 FJAF CCNc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573877 UYJOIUDYJJKUMZ-UGKGYDQZSA-N 361.397 4.527 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccncc12 587587858 QHGARSIPTDFFRS-OFNKIYASSA-N 369.376 4.643 0 1 FJAF CCc1c(C)[nH]c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587793571 QYSCXYWJKCMTLA-YYSFKGJASA-N 365.290 4.719 0 1 FJAF CC(C)c1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587849915 BQTYQKJYLJVKHI-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c1 587931458 JEINWSCZVOKVPQ-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF COc1ccc2c(c1)[C@H](c1csc(-c3cccnc3)n1)N(C(C)C)CC2 962095166 YDNJVQCWULULLO-HXUWFJFHSA-N 365.502 4.570 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(-c2ccncc2)cc1 963033812 KGJKFLSXRVBKBJ-HSZRJFAPSA-N 367.452 4.541 0 1 FJAF COc1ccc2c([C@]3(C)c4c(F)cccc4C[C@H]4CCCN43)c[nH]c2c1 963088574 FSLCOXGJXJWJHD-IVZQSRNASA-N 350.437 4.600 0 1 FJAF O=c1oc2ccccc2c(Cl)c1[C@H]1c2c(F)cccc2C[C@H]2CCCN21 963093492 BTXGYYMBKRPBJB-ZUOKHONESA-N 369.823 4.695 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(F)c21 1857584347 ZCKXISVDDOGSPZ-UHFFFAOYSA-N 360.432 4.788 0 1 FJAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC=C(C)CO)CC[C@H]2C 2356855057 QYVRGBDFTMKFCS-FCEWJHQRSA-N 360.494 4.791 0 1 FJAF COc1cccc(-c2cnc3c(NC(C)=O)cc(-c4ccsc4)cn23)c1 61905392 GISVFYIQTKBXPW-UHFFFAOYSA-N 363.442 4.697 0 3 FJAF CC[C@H](CO)Oc1cc(NCc2ccc(C)cc2)c2ncn(C(C)C)c2c1 61948973 JOYQJHPWONMUOM-GOSISDBHSA-N 367.493 4.687 0 3 FJAF CO[C@@H]1Cc2ccccc2C2(CCN(CCCCc3ccccc3)CC2)O1 13472042 CYEHCEOAFMAABP-QHCPKHFHSA-N 365.517 4.546 0 1 FJAF Cc1ccccc1NC(=O)Nc1nc(-c2cccnc2)nc2ccccc12 13808630 ZGKXGTYTAWZKGP-UHFFFAOYSA-N 355.401 4.644 0 1 FJAF CC/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)n1 26287715 IATVQONTHUZVPP-XBXARRHUSA-N 358.507 4.882 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1COCCCc1ccccc1 26388395 WOGCVPJHUOMABS-LYTHEMCMSA-N 372.505 4.631 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1C1CCCCC1 28962232 VZTNOHFMVINHMF-UHFFFAOYSA-N 357.457 4.856 0 1 FJAF CC(C)(C)CCN1CCC(CNC(=O)c2cc(Cl)cc(Cl)c2)CC1 40421755 OVPYRUXSNJNEFM-UHFFFAOYSA-N 371.352 4.871 0 1 FJAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccccc1 64516850 KQTHNXYUBFTIRV-FQEVSTJZSA-N 367.408 4.819 0 1 FJAF COc1ccc2c(c1)CC[C@@]1(CCCCN1CCc1ccccc1C)C2=O 68199164 GSEYNHMUMIJZTB-DEOSSOPVSA-N 363.501 4.600 0 1 FJAF COc1cc(-c2cccc(Cl)c2)ncc1[C@@H]1CCCN1C(=O)C1CCC1 72175156 QGGMLWQJUHYNLK-IBGZPJMESA-N 370.880 4.874 0 1 FJAF CC(C)NC(=N)c1c(O)nsc1Nc1ccc(Cc2ccccc2)cc1 101101139 SWCLMQRIGFXXNI-UHFFFAOYSA-N 366.490 4.506 0 1 FJAF O=C1C[C@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccc(Cl)cc1 103223644 ACUJKOHLRZMDHT-LLVKDONJSA-N 361.228 4.533 0 1 FJAF Cc1cc(C(=O)Nc2cccc(-c3ccnc4c(N)cccc34)c2)c(C)o1 103296013 ZKUQBQJFWZUELG-UHFFFAOYSA-N 357.413 4.946 0 1 FJAF Cc1ccc([C@@](C)(c2c[nH]c3c(NS(C)(=O)=O)cccc23)C2CC2)cc1 202435222 BIHSEQOJWWXWOI-OAQYLSRUSA-N 368.502 4.564 0 1 FJAF CC(C)=CCc1c(O)cc(O)c2c(=O)cc(/C=C/c3ccc(O)cc3)oc12 238756185 UACBSTHIFSMGJX-RMKNXTFCSA-N 364.397 4.589 0 1 FJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(Cl)cc(C)c2[nH]1 586972208 FAUMTHWGUYBTIK-QGZVFWFLSA-N 373.909 4.635 0 1 FJAF COc1cc(/C=C\c2nc3cc(Cl)ncc3[nH]2)ccc1Br 586977927 VURIXLGARDVQNL-HYXAFXHYSA-N 364.630 4.553 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)Cc1cc(F)ccc1C3 586989143 YRCQBLOJLSYPHN-UHFFFAOYSA-N 367.379 4.786 0 1 FJAF Cc1c(-c2nc3c(F)cnc(Cl)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075652 KKCDAFYWINHEQG-UHFFFAOYSA-N 362.195 4.565 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@H](C(=O)O)[C@@H]4C)-c1ccccc1C2=O 587101573 OFFZMEKFNGDPRF-STQMWFEESA-N 357.409 4.505 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]([C@@H]1CCOC1)CC3 587208953 HHQXAIGZUCVQPW-LSDHHAIUSA-N 355.437 4.588 0 1 FJAF O=C(N[C@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 587220568 SRJUZVZTOBPGQC-LJQANCHMSA-N 361.832 4.736 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587240045 QAZAXDSLJAZATO-UHFFFAOYSA-N 368.746 4.701 0 1 FJAF C[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346645 AAVWNMXWJXUXHW-UNMCSNQZSA-N 364.372 4.511 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587400664 RXNAUDLDBGKCRO-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc3c1OCOC3)CC2=O 587462457 OUTSWKXQLBGWPQ-SFHVURJKSA-N 374.820 4.571 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=C(C)C)Oc2cc(O)ccc21 587491800 PSMYUVYSRADGAO-QFIPXVFZSA-N 366.413 4.597 0 1 FJAF C[C@]1(C(F)(F)[C@H](F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499729 MKSFHMIDADAGCL-LSDHHAIUSA-N 366.301 4.825 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559598 XTTLKENXQPRAIZ-SIKLNZKXSA-N 364.372 4.717 0 1 FJAF Cc1cc(C)cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602046 IKSIUGYNTHRLKC-NFBKMPQASA-N 360.409 4.886 0 1 FJAF Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611584 GQVGVJBEQAQWSS-FXAWDEMLSA-N 352.411 4.639 0 1 FJAF Cc1cccc2c1CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587816873 FFUGFBMWCUOVGR-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3c(c2)CCC3)N1 587824791 YPFRWBKKWGGFFN-WLRWDXFRSA-N 360.270 4.701 0 1 FJAF CSc1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1 587924603 FHGUHMJHOLSXSE-GDNBJRDFSA-N 369.467 4.863 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587950512 BMLPWQRLUMSHIO-SUNKGSAMSA-N 352.381 4.931 0 1 FJAF FC(F)(F)c1ncc2nc([C@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 587957067 ZKOYLPAYZBRJJA-OAHLLOKOSA-N 368.362 4.698 0 1 FJAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5nccn5C)cc34)cc2)cn1 653825364 AGXNDPDCEGWAIY-UHFFFAOYSA-N 365.440 4.703 0 1 FJAF COc1ccc([C@]2(c3cccs3)NCCc3cc(C)c(F)cc32)cc1 962085993 BFJIPZFQOPXXGN-NRFANRHFSA-N 353.462 4.642 0 1 FJAF Cc1nc2sccn2c1[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962663060 DPPKCTXLIHJFJI-QFIPXVFZSA-N 359.498 4.780 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1ccc2ncccc2c1 962723253 YVAUYPRPYXXJHV-VGSWGCGISA-N 364.489 4.827 0 1 FJAF COC(=O)C(C)=CCC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356814547 CIOTYZFASUOYQU-XEZPLFJOSA-N 360.450 4.607 0 1 FJAF CC(C)C[C@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61928537 FXBSUASPKMZCJY-AWEZNQCLSA-N 355.467 4.515 0 3 FJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)cc1 13432173 PLWGJLHNBNMJOH-PRTQVNTJSA-N 372.505 4.764 0 1 FJAF biogenic O=c1cc(N2CCOCC2)oc2cc(-c3cc4ccccc4s3)ccc12 28530400 BNIXZVCSZBSNCF-UHFFFAOYSA-N 363.438 4.511 0 1 FJAF Sc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1Br 66100507 AFWAEMBKWNQMMB-UHFFFAOYSA-N 366.671 4.639 0 1 FJAF O[C@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)c1cccnc1 72185949 PTHYKFXPOOPKBK-SFHVURJKSA-N 374.665 4.782 0 1 FJAF COc1cccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)c1Cl 72317055 CUYYQVHJGYQSQJ-UHFFFAOYSA-N 370.865 4.529 0 1 FJAF CCCCOC(=O)Cc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 103230232 NXGVBKIUPUWPHV-IAGOWNOFSA-N 358.478 4.889 0 1 FJAF COC(=O)c1cc2ccc(OC/C=C(\C)CCC=C(C)C)cc2oc1=O 103271087 HMADAONXXOTVPK-XNTDXEJSSA-N 356.418 4.651 0 1 FJAF O=C(O)/C=C/c1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 586881174 UKIKGXFAILCRNV-BUHFOSPRSA-N 370.408 4.907 0 1 FJAF Cc1cc(Cc2nc3c(Cl)cnc(Cl)c3[nH]2)ccc1Br 586977479 PMKFEUBVQFXJGF-UHFFFAOYSA-N 371.065 4.926 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067620 HMHFGIVVBQSGJD-CYBMUJFWSA-N 372.852 4.770 0 1 FJAF Cc1cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c2cc1Br 587095816 WMLDRUIPDXHGRB-UHFFFAOYSA-N 370.172 4.902 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2c(Br)ccnc2[nH]1 587169815 AWVAWLIKOFSLJA-SECBINFHSA-N 366.259 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(C)ccc1O)O2 587403374 HMUZFSHWKXJGDK-QHCPKHFHSA-N 359.425 4.500 0 1 FJAF C[C@H](c1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598033 AGCAHZZSYXTHEY-XLHILCRZSA-N 360.409 4.916 0 1 FJAF C[C@@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615489 XNYBFXIWGYLMDM-HNAYVOBHSA-N 372.829 4.984 0 1 FJAF CC[C@]1(Cc2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831541 XSEUJVRZIUOVOC-PIGZYNQJSA-N 352.247 4.563 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc3nc(C)ccc3c2[nH]1 587926571 IWWNNYJCGZZOAQ-OAHLLOKOSA-N 361.445 4.979 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(CCc3cc(F)cc(F)c3C2)N1 962945633 JAJGFLMUGBCERD-NYHFZMIOSA-N 352.428 4.755 0 1 FJAF CCc1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CC)c2c1 1857534027 GMSUPOOXEFFVPJ-UHFFFAOYSA-N 356.469 4.903 0 1 FJAF Cc1ccc(NCCN2CC[C@@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)c(C)c1 1911573856 OYARCGQEKBMPNF-NTUVXCKYSA-N 364.533 4.645 0 1 FJAF O=C(NCCc1c[nH]c2ccc(O)cc12)c1ccccc1Nc1ccccc1 2382250502 CFRFWENQINXUII-UHFFFAOYSA-N 371.440 4.590 0 1 FJAF COc1ccc2nc(C)cc(SCC(=O)Nc3c(C)cccc3C)c2c1 915668 PZVMFLARDASJIX-UHFFFAOYSA-N 366.486 4.899 0 3 FJAF O=C(O)c1ccc2c(c1)[C@H](SCc1cccnc1)c1ccccc1CO2 3801383 QPSJAHYNYKZLMW-HXUWFJFHSA-N 363.438 4.695 0 1 FJAF O=C(NCCc1ccccc1)c1ccc2nc(CCc3ccccc3)oc2c1 8611059 VXWLNIBNDCIZOS-UHFFFAOYSA-N 370.452 4.586 0 1 FJAF O=C(Oc1ccc(Cl)cc1)c1cnc([C@@H]2COc3ccccc3O2)s1 13479519 DEZUIDHEZZZRGB-HNNXBMFYSA-N 373.817 4.528 0 1 FJAF CN(C)C[C@@H]1C[C@@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 13611465 FXHLGRYCQSRFHY-OHNRDTAOSA-N 374.278 4.730 0 1 FJAF CCCc1ccccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O 14977031 YWWBTQCQZFKBMY-IBGZPJMESA-N 368.473 4.992 0 1 FJAF Cc1nc2c(S(=O)(=O)c3ccccc3)cc3cc(F)ccc3c2s1 84669928 SOTAWLVPRDYCSD-UHFFFAOYSA-N 357.431 4.730 0 1 FJAF Oc1ccccc1SC[C@@H](O)COc1ccc(-c2ccccc2)cc1 84689316 ONWQXUIIHDQHFG-SFHVURJKSA-N 352.455 4.591 0 1 FJAF CSc1cccc(N2C(=S)N[C@@H]3c4ccccc4O[C@@]24CCC[C@H]34)c1 100289073 JWXNPEZZNWFCCK-YVWKXTFCSA-N 368.527 4.733 0 1 FJAF CC1(C)CC2=Nc3cccnc3N[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 104095957 YNSIQICJUHNWPH-LJQANCHMSA-N 363.417 4.682 0 1 FJAF C[C@H](CCOC=O)CC[C@H]1C(C(=O)O)=CC[C@H]2C(C)(C)CCC[C@@]21C 238752700 HVOITCZCMRGWKQ-QUJKESNLSA-N 350.499 4.829 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586961525 JUSLORAAKMGPMP-SSDOTTSWSA-N 374.775 4.758 0 1 FJAF CCCC(Br)(CCC)c1nc2cnc(C(F)(F)F)[nH]c-2n1 586970247 CHPYNUVGMFARGX-UHFFFAOYSA-N 365.197 4.514 0 1 FJAF COc1ccc2nc(-c3nc4c(C)c(Br)ccc4[nH]3)sc2c1 587035895 WFAAYIDKXCXXJL-UHFFFAOYSA-N 374.263 4.919 0 1 FJAF COc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1OC 587074866 DVQUGUXZSRPGML-QGZVFWFLSA-N 371.868 4.571 0 1 FJAF Cc1cc(-c2nc3ncc(F)cc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144245 GNSCYCGEEYZBLB-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338642 XXFNJCLSVVYXHM-IFMALSPDSA-N 366.363 4.945 0 1 FJAF COc1c(Cl)cc(Cl)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587375401 MJFBYHBUPYXJHV-HNNXBMFYSA-N 352.217 4.599 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(Cl)cc(Cl)cc31)O2 587380638 WURXBSQQSXXZSM-GOSISDBHSA-N 364.228 4.527 0 1 FJAF COc1ccc([C@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1F 587386662 VXZXAGWENUZPFI-OPAMFIHVSA-N 369.436 4.787 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1F)(C1CC1)CC2=O 587465749 GMVNWLDICVBLPY-JOCHJYFZSA-N 354.421 4.841 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C/N(C)C)(c1cccc(C)c1)CC2=O 587470603 UJRGHWSPAZLODW-OTOIZHKDSA-N 365.473 4.589 0 1 FJAF CC(C)(C)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604875 ZTLVJUODWXVYMD-AVRDEDQJSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2)N1 587705855 ZRZWTHDIJIOTLW-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)s2)N1 587846804 IEHJJTFJXRZGQB-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF COc1ccc(/C=C\Cc2nc3ccc(Br)cc3[nH]2)c(OC)c1 587930714 UOFDOOMOYCCOHG-ARJAWSKDSA-N 373.250 4.599 0 1 FJAF NC(=O)c1ccc2[nH]c(-c3ccc(Oc4cccc(Cl)c4)cc3)nc2c1 13612101 ORMYSOQVDNNQEX-UHFFFAOYSA-N 363.804 4.775 0 1 FJAF CC[C@H](O)C(C[C@@H](C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 28000798 YHPOEDVSZWYMCZ-XXBNENTESA-N 351.534 4.864 0 1 FJAF O=S(=O)(/C(Cl)=C/c1cc2ccccc2nc1Cl)c1ccccc1 40975066 NLHFFPRPLGHVEQ-LFIBNONCSA-N 364.253 4.899 0 1 FJAF Clc1ccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)cc1 45505727 QVDYKPQMBANABV-UHFFFAOYSA-N 361.836 4.595 0 1 FJAF O=C(CCc1ccccc1)c1ccccc1OC[C@H](O)CC1CCCC1 73162595 YJSGGXKDBBDVRZ-HXUWFJFHSA-N 352.474 4.822 0 1 FJAF CC1CCN(c2cc(Oc3ccc(C(=O)c4ccccc4)cc3)ncn2)CC1 82067456 UKSAVTFFAYHQQR-UHFFFAOYSA-N 373.456 4.736 0 1 FJAF CC[C@H](C)NC(=O)c1cnc(NCC2CCCCC2)nc1-c1ccccc1 82133244 BWBRHECNPNWIQN-INIZCTEOSA-N 366.509 4.664 0 1 FJAF CC(C)[C@H](NC(=O)c1ccccc1)C(=O)c1ccc(Cl)c(Cl)c1 84687885 KEQCKEFNTDXKBN-INIZCTEOSA-N 350.245 4.631 0 1 FJAF O=C1Nc2ccc(Cl)cc2/C1=C/c1c[nH]nc1-c1ccc(Cl)cc1 95605885 QCCMQAKUFMGAGA-CHHVJCJISA-N 356.212 4.876 0 1 FJAF CCCN[S@@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 102785264 JYUMEPOCQUHNMJ-XMMPIXPASA-N 365.886 4.622 0 1 FJAF C[C@@H]1CCCCN1c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 116231923 BXYWNNBCTFBNED-CYBMUJFWSA-N 365.408 4.513 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 253635541 RDPJISLOFXUIDK-PDRMSYIPSA-N 357.538 4.515 0 1 FJAF investigational FC(F)(F)COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccn1 587091969 PQCHEBYZVRWJHO-UHFFFAOYSA-N 361.245 4.585 0 1 FJAF COc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2n1 587094831 IXFSKXWDLGBTGL-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF N=C(N)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094991 LQHDYXBETVEKEW-UHFFFAOYSA-N 372.272 4.552 0 1 FJAF COc1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1OC 587145634 MOXCGEZLKKYCDZ-UHFFFAOYSA-N 362.404 4.977 0 1 FJAF Cc1cccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c12 587166181 ONRIKGIJWCFDEK-UHFFFAOYSA-N 362.433 4.977 0 1 FJAF O=C(O)c1coc2c1-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587205689 CTZBNUNRSPAMLV-UHFFFAOYSA-N 367.360 4.503 0 1 FJAF CCOC1=C(C)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587349839 JINBHRNSDLHDKV-UNMCSNQZSA-N 368.404 4.733 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587352114 LUCQJARCCFQOHJ-UZKOGDIHSA-N 352.405 4.839 0 1 FJAF CC(C)C(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359011 ZGIZCQWCIUTZJO-IRLDBZIGSA-N 370.420 4.654 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(C1CCOCC1)CC2=O 587493712 VDXNDKZZIOABCE-QHCPKHFHSA-N 366.457 4.632 0 1 FJAF O=C1C[C@@H](c2[nH]c3nccc-3c(Cl)c2F)Oc2c1ccc1c2CCCC1 587502978 JRAJFJPBSWTRTB-HNNXBMFYSA-N 370.811 4.892 0 1 FJAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1OC 587524721 MNFNPMFOKKMFIS-HSZRJFAPSA-N 366.457 4.772 0 1 FJAF CSc1ccc(C(=O)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532943 QNDZBSNMBLLAJD-LJQANCHMSA-N 352.455 4.504 0 1 FJAF O=C(CC1CCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657330 YKUAGSPIUHHJBY-UHFFFAOYSA-N 368.383 4.562 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ncccc3c2)N1 587779177 QONVHHIYCWQGNV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CCOC(=O)C[C@]1(C2CCCCC2)c2cc(OC)ccc2CCN1C(C)C 962086884 CJHLFXAFXQWQMY-QHCPKHFHSA-N 373.537 4.691 0 1 FJAF COc1ccc2occ(-c3cc4cc(Br)ccc4oc3=O)c2c1 1857548848 LDYYANOFQLBHGW-UHFFFAOYSA-N 371.186 4.977 0 1 FJAF Cc1c(N)cccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1 1857771043 FUQDWDBCRIPWDB-UHFFFAOYSA-N 363.360 4.660 0 1 FJAF Clc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 3814461 OUEGMEMDEAOAEG-UHFFFAOYSA-N 357.845 4.709 0 1 FJAF in-vivo FC(F)(F)c1ccc(-c2noc(-c3occc3Br)n2)cc1 13671438 IXUISRAWKIXPDK-UHFFFAOYSA-N 359.101 4.778 0 1 FJAF Cc1ccc(CC[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45229768 UHGNRMGDNMUILJ-BEFAXECRSA-N 351.412 4.658 0 1 FJAF CCCc1nc2c(NCc3cccc(F)c3)ncnc2n1C[C@H](C)CC 82221856 VJJFVGJXEXGSJG-CQSZACIVSA-N 355.461 4.576 0 1 FJAF CC(C)C[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 195481319 UIXOARAAEKCNHD-FYINFDKHSA-N 372.468 4.975 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@]4(C)[C@H]3CC[C@@]12C 253634916 QHNHXSFBBNVOAL-RWEJAPMVSA-N 374.613 4.808 0 1 FJAF COc1ccc(/C=C/C(=O)Nc2ccc3[nH]c4ccccc4c3c2)cc1OC 473135351 HPXVMLCFQAIYFK-XYOKQWHBSA-N 372.424 4.990 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cc(O)ccc3F)nc3ccc(O)c1c23 586987330 VQZALWVFNKRIKH-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF Cc1c(-c2cc(F)ccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989155 ZJKGXEAZBIRXKB-UHFFFAOYSA-N 371.367 4.972 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4nc[nH]c4c3)nc3ccc(O)c1c23 586989360 GGNYWDZEHLJLFR-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF CCc1ccc(-c2nc(-c3nc4ccc(C(=O)OC)cc4[nH]3)cs2)cc1 587015444 DCOBSMRAOTVBTK-UHFFFAOYSA-N 363.442 4.702 0 1 FJAF Fc1cc2nc(-c3ccc(-c4nccs4)s3)[nH]c2cc1-n1cccn1 587023571 MMSSCRXBTJMTNB-UHFFFAOYSA-N 367.434 4.740 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@H](N)N=O)cc2[nH]1 587111923 CCNDSZKEVQUVFV-MGPLVRAMSA-N 362.355 4.652 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccnc(Br)c2[nH]1 587169905 FMEFWIWTOPMNLV-VIFPVBQESA-N 366.259 4.755 0 1 FJAF Cc1ccc(Oc2ncccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587394035 PUAHZWOYXGUPHO-FQEVSTJZSA-N 360.413 4.779 0 1 FJAF Cc1[nH]c2ccccc2c(=N)c1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587512481 YEHFEHDEYJEGPR-XMMPIXPASA-N 372.468 4.715 0 1 FJAF O=C1C[C@H](c2ccnc(-c3ccccc3)n2)Oc2c1ccc1c2CCCC1 587515769 QYATYQNSAYBRLY-OAQYLSRUSA-N 356.425 4.729 0 1 FJAF CC(C)(C)C[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604876 ZTLVJUODWXVYMD-GCJKJVERSA-N 352.430 4.939 0 1 FJAF FC(F)(F)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1C(F)(F)F 587621431 FKGUBQKLLPNQKL-UHFFFAOYSA-N 372.066 4.844 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2F)N1 587715313 CFABEQSPGMIDEA-HUTHGQBESA-N 370.212 4.664 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc12 587931605 LAUDSNPEGRQMLC-UHFFFAOYSA-N 358.397 4.692 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4ccc([C@H](N)N=O)cc4[nH]3)ccc2c1 587933921 ADZUBEFNGUATAK-MPBGBICISA-N 360.417 4.600 0 1 FJAF O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(-c2ccccc2)c1 1857621047 XJONIWPZFAPOFB-UHFFFAOYSA-N 359.360 4.795 0 1 FJAF CCOC(=O)c1cnc2ccc(OCc3ccccc3)cc2c1SC 1857744521 CLTNRWDCHTWNLP-UHFFFAOYSA-N 353.443 4.712 0 1 FJAF CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C[C@H](C)O2 13461811 DJCPAKRYTYQGOM-OLZOCXBDSA-N 370.445 4.560 0 1 FJAF biogenic COCc1cc(-c2ccccc2OCc2ccc(Br)cc2)no1 13536228 GZZPBKFDWZFBRF-UHFFFAOYSA-N 374.234 4.830 0 1 FJAF Cc1nc2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1 13864122 NCYVOMWFZQBIFF-UHFFFAOYSA-N 374.362 4.587 0 1 FJAF Cc1sc(-n2cccc2CNCCCc2ccccc2)c(C(=O)O)c1C 21935405 HXXAGEBFGOVUDM-UHFFFAOYSA-N 368.502 4.576 0 1 FJAF CC(C)[C@@H]1c2ncn(Cc3ccccc3)c2NC(=O)N1Cc1ccccc1 27630853 XYUDWRYZHCKJAV-HXUWFJFHSA-N 360.461 4.676 0 1 FJAF COc1ccc(NC(=O)Nc2cc(C(F)(F)F)nc3ccccc23)cc1 64380888 IIRMSJMKEDXBLS-UHFFFAOYSA-N 361.323 4.906 0 1 FJAF Cc1ccc(COc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2)cc1 64539758 CDPRAJPVFAXKDE-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@H](C(=O)O)C3 85956511 ZKXLEDOCSSUHKY-TXTDPOTRSA-N 362.510 4.663 0 1 FJAF in-man CC(=O)C[C@@H](C)c1ccc(OC2CN(c3ccc4ccccc4n3)C2)cc1 96172921 JFOUYYOHQXLCCQ-MRXNPFEDSA-N 360.457 4.585 0 1 FJAF COc1ccc(-c2csc(N)c2C(=O)OCc2ccccc2)c(F)c1 96929351 PHPQGWAXJJNOKG-UHFFFAOYSA-N 357.406 4.502 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@H]4C(=O)O 257777843 ZKXLEDOCSSUHKY-QPHXXKEYSA-N 362.510 4.663 0 1 FJAF endogenous,in-man C=C=C[S@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 299809887 TWJIXIMVSAVZGQ-ZXPPVIPUSA-N 358.547 4.934 0 1 FJAF CSc1cccc(N=c2[nH]c(-c3cccc(NC(C)=O)c3)cs2)c1 473087532 KKQNMYFYUBRDSB-UHFFFAOYSA-N 355.488 4.656 0 1 FJAF O[C@H]1C[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586904228 RZESHMKZFPLFKW-ICSRJNTNSA-N 356.425 4.711 0 1 FJAF Fc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586983896 AMJPBQMUTATFSP-KRWDZBQOSA-N 374.257 4.650 0 1 FJAF Clc1cccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587030140 ZFWIGSXURYPBOE-UHFFFAOYSA-N 365.849 4.738 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cccc(OC)c2[nH]1 587044479 DCQFFBGLWDAOEV-UHFFFAOYSA-N 353.205 4.563 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 587062991 YYMDUZAEQGBYEX-SFHVURJKSA-N 373.884 4.687 0 1 FJAF Nc1ccc(-c2nc3ccc(Br)cc3[nH]2)c(C(F)(F)F)c1 587095495 GZOBCNBNFGANDF-UHFFFAOYSA-N 356.145 4.593 0 1 FJAF COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1N 587104100 MYMQZQQVNUYOTL-UHFFFAOYSA-N 352.393 4.704 0 1 FJAF Cc1ccc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c2n1 587129160 SLKMPHQGEKODAH-ZCFIWIBFSA-N 361.730 4.601 0 1 FJAF Cc1ncsc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372603 JXUZTFRSMWVNSE-FXAWDEMLSA-N 369.417 4.571 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OCCCF)cc1)CC2=O 587466844 PDPLPQYTSCRSIC-JOCHJYFZSA-N 372.436 4.964 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1ccccc1)CC2=O 587470618 URMGKGRHYNSUCP-INJZMFEXSA-N 365.473 4.671 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)c(OC)c(C)c1C)CC2=O 587481748 SAMNOTLIEVNLKR-FQEVSTJZSA-N 354.446 4.985 0 1 FJAF C[C@]1(c2ccc(O)c3ncccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522064 CVNRRSPSALDVEJ-HSZRJFAPSA-N 359.425 4.700 0 1 FJAF C[C@]1(c2cccc3cc[nH]c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588011 IYHHEBGEDDLKJV-WMZHIEFXSA-N 371.392 4.751 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccccc2Cl)N1 587699593 STIIDJMALMNYTD-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF CCc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587816695 ZZOLORJZTQSKOT-CWTRNNRKSA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827592 KZLKBRJMNULWKR-UCOJWJJSSA-N 352.291 4.774 0 1 FJAF CC(C)c1ncc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587856750 XREVHYAGNHVDJK-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF COc1ccc(CCCc2nc3ccc4nc(C)ccc4c3[nH]2)cc1OC 587924967 HXGBCYRZCIGAHC-UHFFFAOYSA-N 361.445 4.612 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCc3cc(F)cc(F)c3C2)N1 962945632 JAJGFLMUGBCERD-IVZQSRNASA-N 352.428 4.755 0 1 FJAF COC(=O)c1ccc(N(C)[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 1911572483 SWXCLOGIOXUORU-OAQYLSRUSA-N 359.425 4.534 0 1 FJAF COC[C@]12CC[C@H](C)[C@@](C)(CCc3ccoc3)[C@@H]1CCC=C2C(=O)OC 2356578470 SSKGFFRRTKSHDY-VHHKXPHXSA-N 360.494 4.791 0 1 FJAF CCC(=O)c1cnc2c(OCCOC)cccc2c1Nc1ccccc1C 13742264 BIWOFGQDTDJNEU-UHFFFAOYSA-N 364.445 4.905 0 1 FJAF CCCC(CCC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795013 MGRCDMXDKKALGC-UHFFFAOYSA-N 366.513 4.825 0 1 FJAF CC(=O)c1cc2cc(-c3coc4cc(O)c(C(C)=O)cc34)oc2cc1O 28641474 XEPLVRZUMGHVMU-UHFFFAOYSA-N 350.326 4.662 0 1 FJAF CCCC(CCC)Nc1nc(C)nc2c1cnn2-c1ccc(OC)cc1C 45261375 IPTQJKHMFLHOJE-UHFFFAOYSA-N 367.497 4.822 0 1 FJAF O=C1COc2ccc(-c3[nH]c(-c4ccccc4)nc3-c3ccccc3)cc2N1 72118510 IXASVHSVVNKGHM-UHFFFAOYSA-N 367.408 4.742 0 1 FJAF N=c1ccn(CCCCCCCCCCCCn2ccc(=N)cc2)cc1 100016822 IPVYONKZDGBVFZ-UHFFFAOYSA-N 354.542 4.850 0 1 FJAF CC(=O)N1N=C(c2ccc(-c3ccc(Cl)cc3)o2)O[C@@H]1c1ccccc1 103210271 GIXXVOSWEFBQJS-HXUWFJFHSA-N 366.804 4.839 0 1 FJAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cnccc12 206787989 GWOWAIHLEPEITG-CJLVFECKSA-N 368.480 4.895 0 1 FJAF CCO[C@@H]1CC[C@@H]2[C@@H](CC[C@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 299816936 ZOYLVBQKNCQNAG-VGOLQDGOSA-N 366.505 4.622 0 1 FJAF COc1ccc(-c2cc(C)c(OC)c(C(=O)N[C@H]3CC[C@H](C)CC3)c2)cc1 299856132 CDHDCBDWARTIEL-RHDGDCLCSA-N 367.489 4.988 0 1 FJAF CCOc1ccc(NCc2ccc(C(=O)N(C)c3ccccc3)cc2)cc1 473145078 ILFDNNIRTMBPKD-UHFFFAOYSA-N 360.457 4.974 0 1 FJAF COc1ccc(-c2n[nH]c(N)c2-c2cccc(-c3cccc(N)c3)c2)cc1 584905557 NUTSYDYCFJFYDE-UHFFFAOYSA-N 356.429 4.584 0 1 FJAF in-vitro COc1cc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2cn1 587063150 FTGJHXDRFPLVLY-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF CCOC1=C(C)[C@@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349829 JINBHRNSDLHDKV-IFMALSPDSA-N 368.404 4.733 0 1 FJAF COc1ccc([C@@]2(CCC(C)C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404237 VNDAPYJKVZGMEN-JOCHJYFZSA-N 353.462 4.883 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C(C)=O)cc4)o1)[C@@H](C2)C3=O 587456889 YDSZAVNQMOZIHA-SBUREZEXSA-N 374.392 4.647 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)nn1C1CCCC1)CC2=O 587475722 OGDHBGCDIKPXSA-FQEVSTJZSA-N 354.450 4.671 0 1 FJAF O=C1C[C@@H](c2c(F)c(F)cc(F)c2F)Oc2c1ccc1c2CCCC1 587503190 FRXXTOBBUJTZGM-HNNXBMFYSA-N 350.311 4.828 0 1 FJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587950470 BZTBFUUEKWVRHF-JTQLQIEISA-N 358.323 4.617 0 1 FJAF Cc1c(Br)cc2nc([C@@]34C[C@H]5C[C@@H](C3)C(=O)[C@H](C5)C4)[nH]c2c1C 587969659 TXEKWSZISFBMCW-WIYZNGBFSA-N 373.294 4.589 0 1 FJAF CC(=O)OC[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 2356428245 CSQRHRPGMJMXPY-XODARUQUSA-N 374.477 4.619 0 1 FJAF CN(C)C(=O)c1ccc(-c2nc(Nc3ccccc3)c3ccccc3n2)cc1 4239252 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O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 96923886 OZPGHGTUKSZMER-UHFFFAOYSA-N 355.397 4.668 0 1 FJAF COc1cccc(-c2nc([C@H]3CC[C@H](C(=O)O)CC3)cc3cccnc23)c1 254093010 LGRMMJXKINGJFV-SHTZXODSSA-N 362.429 4.664 0 1 FJAF Cc1ccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c2c1 299838721 QWLCKDUXKIUGTQ-UHFFFAOYSA-N 350.441 4.680 0 1 FJAF O=[S@@](c1cccc(F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299839918 TYZCWWNXNCXHAV-SANMLTNESA-N 363.413 4.913 0 1 FJAF Cc1nc2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2cc1Br 587034330 SKKKLMVUMZLIRM-MRVPVSSYSA-N 362.296 4.882 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587085694 BIBJMXIEYFWVJO-UHFFFAOYSA-N 351.793 4.608 0 1 FJAF Cc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c12 587118252 LEXSNZDZWWTLHG-UHFFFAOYSA-N 354.763 4.666 0 1 FJAF OCc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587124165 IVSSFEQBXOKISK-XBXARRHUSA-N 350.365 4.838 0 1 FJAF Fc1cccc([C@H]2C[C@@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160931 IODFNYVYJBEETM-ZJUUUORDSA-N 366.621 4.784 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](CO)C3)c1 587366373 OLYIYOOLTUGZRD-AWEZNQCLSA-N 359.425 4.754 0 1 FJAF C[C@]1(Cc2cccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587374758 LFIDVZSTXAVPSF-PZJWPPBQSA-N 368.429 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCCc3ccccc3)c1)O2 587399737 LQLYLMZLDINBKJ-QHCPKHFHSA-N 373.452 4.905 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(C(C)C)cccc31)O2 587412335 NHEUCFZWJBHYJG-JOCHJYFZSA-N 351.446 4.734 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc(F)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587418921 FAWPWCKHGUTAEA-KBXCAEBGSA-N 366.310 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@]1(C[C@@H](c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587446326 CBLWIGHNHZCIIE-OWHZGTRUSA-N 368.432 4.874 0 1 FJAF O=C1C[C@H](c2ccccc2Oc2cnccn2)Oc2c1ccc1c2CCCC1 587515731 PXLVSOOKFMFUPS-OAQYLSRUSA-N 372.424 4.854 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1Cl 587545524 GYOXLMYNLTUMPW-MOPGFXCFSA-N 366.800 4.619 0 1 FJAF C[C@@H]1[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604670 VFQWYYPRRRRTLR-JTKVARGFSA-N 372.420 4.916 0 1 FJAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2ccc(F)c(Cl)c12 587627784 BZDALQMFWZWMOV-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715587 IFRRTZYZADVQPV-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3c2)N1 587806120 UUYUWUPUDXLOJU-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1O 587822756 QVWWNNLDQCCYKL-ADLMAVQZSA-N 364.258 4.534 0 1 FJAF CC(C)c1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853233 LQDMJKJPWMTLJD-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF c1ccc([C@@]2([C@@H]3CCOC3)c3ccsc3CCN2Cc2ccco2)cc1 962714549 ZUAXXKQYBKVNDE-XMSQKQJNSA-N 365.498 4.680 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@@](C2CCCCC2)(C2CCC2)N1)C(F)(F)F 962764334 LQQLETYXICXORA-UYAOXDASSA-N 365.439 4.908 0 1 FJAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@@H](O)CCCCCC(=O)O 2356596740 QWOUVGWCGKEVEB-LEWJYISDSA-N 362.510 4.715 0 1 FJAF Nc1c(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)sc2ncccc12 2382240421 UPPICDRZHISGND-UHFFFAOYSA-N 362.336 4.614 0 1 FJAF CCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1 2382246526 KWVCUSRSWTXHMV-UHFFFAOYSA-N 359.425 4.995 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3cccc(OC(F)F)c3)oc2c1 2382253103 UGAHEHWDWCWEAW-RUZDIDTESA-N 367.288 4.666 0 1 FJAF CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1 13679246 NJENIOUMKVKNRM-UHFFFAOYSA-N 371.400 4.501 0 1 FJAF CN(C)CCNc1cc(-c2ccc(N3CCCCC3)cc2)nc2ccccc12 28244090 PDZORKWUGBBLQL-UHFFFAOYSA-N 374.532 4.866 0 1 FJAF CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)N3CCC[C@H]3C2)cc1 29399613 NWKBKPYSERCBRG-KRWDZBQOSA-N 353.462 4.853 0 1 FJAF CN(C(=O)Nc1ccccc1Cl)c1cc(Nc2ccc(F)cc2)ncn1 36187644 PIZOXXVEPVWTRI-UHFFFAOYSA-N 371.803 4.681 0 1 FJAF O=C(c1ccccc1Br)n1ccnc1-c1ccccc1Cl 43066797 AGCOBUPYEJMCSE-UHFFFAOYSA-N 361.626 4.655 0 1 FJAF CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1ccccc1 66128646 DEFBJXIUPUFOLP-UHFFFAOYSA-N 368.864 4.624 0 1 FJAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)c2c(C)csc21 95596625 FZAWWBUFWDNIHB-UHFFFAOYSA-N 360.523 4.624 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccc(F)c1 104056350 XXXDEWQXXFFHEI-CQSZACIVSA-N 371.437 4.647 0 1 FJAF Cn1c2c(c3ccccc31)CN(CCC[C@H](N=O)c1ccc(F)cc1)CC2 169717737 NPQVPMVCKCZVSB-FQEVSTJZSA-N 365.452 4.963 0 1 FJAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](OC2CCCCC2)CC1 261165436 RVBNPYRCUIBUGA-HDSYQONKSA-N 374.569 4.915 0 1 FJAF O=C1c2ccccc2-c2cc(CCc3ccc(O)cc3)nc3ccc(O)c1c23 586992873 ZQQJQQDTXACYOD-UHFFFAOYSA-N 367.404 4.643 0 1 FJAF COc1cc(-c2nc3cccc(C(=O)O)c3[nH]2)cc(Cl)c1OCC(C)C 587046192 MWAZPHZJPQZXPL-UHFFFAOYSA-N 374.824 4.625 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1CO 587107746 UTGCDCFGIHDFPC-UHFFFAOYSA-N 367.404 4.614 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cc(Cl)cc(Br)c3[nH]2)c1 587250727 QOOQXPDEERNANS-UHFFFAOYSA-N 366.646 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3ccc(C=O)cc3)cc1)O2 587404773 ZINUAGRPRRTLFJ-QFIPXVFZSA-N 373.408 4.889 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccs4)s1)[C@@H](C2)C3=O 587453155 VDNLNRQTRQJTIZ-BUXKBTBVSA-N 354.452 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3cc(C)ccc13)CC2=O 587480610 DMNUGJZVJDGNHG-GOSISDBHSA-N 351.402 4.547 0 1 FJAF O=C1C[C@@H](c2c(F)c(F)c(O)c(F)c2F)Oc2c1ccc1c2CCCC1 587505526 LQRMQRVLXBLKPZ-LBPRGKRZSA-N 366.310 4.534 0 1 FJAF CN(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587507403 PXNBUOYVYWLEKN-FQEVSTJZSA-N 355.865 4.991 0 1 FJAF CC(=O)c1[nH]c(C)c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587525781 NQVZWRPNUBFQDM-JOCHJYFZSA-N 351.446 4.594 0 1 FJAF Cc1c(-c2cc(C(F)(F)F)ccc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587648964 FBHPTBXYUHMOJX-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCC[C@H]2C2CC2)N1 587824267 VVOHCLLMAHTTFY-CDNVCLAFSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3occc3c2)N1 587835328 VLEFXWAUWQRXCO-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF Cc1cc(C(F)(F)F)n(CCc2nc(-c3cc(F)ccc3F)cs2)n1 587921528 BYRRDMWERQDMLP-UHFFFAOYSA-N 373.350 4.855 0 1 FJAF COC(=O)c1cc2[nH]c(Cc3ccccc3-c3ccccc3)nc2cc1OC 587958463 DODTYZBEWZCYEI-UHFFFAOYSA-N 372.424 4.616 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3cccc(N(C)C)c3)nc(C)n2)c1 653668925 MUALWOCPLMUZGJ-HNNXBMFYSA-N 362.477 4.700 0 1 FJAF Cc1cc2c(cc1F)C(c1ccccc1F)(c1ccccc1F)NCC2 962093890 RVLQEULUOJEZMJ-UHFFFAOYSA-N 353.387 4.850 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccccc3)nn2C)N1 962947509 NRTFLPUDQKCISH-HJPURHCSSA-N 356.473 4.582 0 1 FJAF CCOC(=O)c1c(Cl)c2c(n1Cc1ccccc1)-c1oncc1CCC2 2382235680 XFRCWADOUXNVLL-UHFFFAOYSA-N 370.836 4.510 0 1 FJAF Cc1cc(C)n2c(NCc3ccccc3)c(CCc3ccccc3)nc2n1 4381210 GQEDPMMYALOSEH-UHFFFAOYSA-N 356.473 4.743 0 3 FJAF CC(C)c1ccc(NC(=O)Nc2nc([C@H](N)c3ccccc3)cs2)cc1 61929847 MBOMVNWPERHPRG-GOSISDBHSA-N 366.490 4.959 0 3 FJAF O=C(Nc1ccccc1Cl)Nc1ncccc1OCc1ccccc1 13680191 HOOPYBWMXMCQQZ-UHFFFAOYSA-N 353.809 4.958 0 1 FJAF CN1CCC[C@@H]1Cc1c[nH]c2ccc(-n3cnc4cc(Cl)ccc43)cc12 26480619 BSBLYLUAUVTSMM-MRXNPFEDSA-N 364.880 4.797 0 1 FJAF c1ccc(CN2CCN(C3=Nc4ccccc4Nc4ccsc43)CC2)cc1 28000967 VNXKZYSLYWDJQS-UHFFFAOYSA-N 374.513 4.701 0 1 FJAF O=C1C(=O)N(Cc2cc3ccccc3s2)c2c(Cl)ccc(Cl)c21 28456915 BNNAFRJSQJKTAV-UHFFFAOYSA-N 362.237 4.938 0 1 FJAF CC[C@@]1(c2cccc(OC(=O)c3c(C)cccc3N)c2)CCCCN(C)C1 28477949 MCEYQHVDNQNONO-HSZRJFAPSA-N 366.505 4.560 0 1 FJAF COc1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1OC1CCCC1 43024706 IEULTVSFRXCQBV-UHFFFAOYSA-N 354.381 4.873 0 1 FJAF Cc1ccc(C(=O)CCc2nnc(COc3cccc4ccccc34)o2)cc1 43077830 HUMHVUIBSMYBRA-UHFFFAOYSA-N 372.424 4.926 0 1 FJAF CSc1ccc([C@H](O)c2nnc(Nc3ccccc3Cl)s2)cc1 82078209 JSBTWIIDDROCQD-AWEZNQCLSA-N 363.895 4.739 0 1 FJAF O=C(COc1ccc(Cl)cc1)ON=C(c1ccccc1)c1ccccc1 146834121 UQOWGKPMBZWJOP-UHFFFAOYSA-N 365.816 4.715 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169369970 QOBHVCSONWIIQM-DZTKRGCRSA-N 371.565 4.857 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(O)cc2[nH]1 587035068 NMSPSVIQDQRWLZ-OAHLLOKOSA-N 365.458 4.754 0 1 FJAF FC(F)(F)c1cc2nc(Cn3ccc4ccc(Cl)cc43)[nH]c2cn1 587079701 FYZIIWAMTJCSEB-UHFFFAOYSA-N 350.731 4.633 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@@H]2C2CC2)[C@H]1c1ccc(F)cc1 587352109 LUCQJARCCFQOHJ-CBQOVEMMSA-N 352.405 4.839 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587417968 FZWZYLFDTYKMNZ-QYWGDWMGSA-N 354.833 4.803 0 1 FJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(C)(c2ccc(F)cc2)C1 587471202 JPNDSMDUCHTRLK-UHFFFAOYSA-N 354.421 4.940 0 1 FJAF O=C1C[C@]2(CCOc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587503628 VQMVDFOLLFZQMG-NRFANRHFSA-N 354.833 4.862 0 1 FJAF CC(C)n1nc(C2CC2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515414 MMSLSSPUNRCOMN-OAQYLSRUSA-N 350.462 4.927 0 1 FJAF Cn1nc(-c2cccs2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530661 GMTUEMVWBIADTG-LJQANCHMSA-N 364.470 4.734 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1 587565142 YMYRLSMQMSNUKG-UHFFFAOYSA-N 364.371 4.590 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3occc23)N1 587828572 OIAFGYYSTDLVHC-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF COc1ccc(Cl)c(NC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587874358 WZHDNBRTPHNQKL-UHFFFAOYSA-N 359.744 4.537 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@H](F)c2ccc(F)cc2)CC1 1857578036 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Cc1c(F)ccc2c1[C@@]1(NCC2)c2ccccc2-c2[nH]nc(C(C)(C)C)c21 962092067 MCBMPTHGSPQVQG-QHCPKHFHSA-N 361.464 4.573 0 1 FJAF Cc1ccc([C@]2(CC(C)(C)C)c3ccsc3CCN2C(N)=O)c(C)c1 962712188 OCYVWQBNOWOBJO-OAQYLSRUSA-N 356.535 4.982 0 1 FJAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@@]12NCCc1c2sc(C)c1C 963034275 YWTOWAPBTODHQW-HGHGUNKESA-N 363.567 4.876 0 1 FJAF CCC[C@@]1(CCCCC(=O)OCC)c2ccc(F)cc2C[C@H]2CCCN21 963095814 DRIPYILQTZGLSJ-DENIHFKCSA-N 361.501 4.965 0 1 FJAF O=NC=C1C=CN(CCCCN=c2c3c([nH]c4ccccc24)CCCC3)C=C1 1857538884 SDUUWLUABOSHFH-UHFFFAOYSA-N 374.488 4.721 0 1 FJAF C[C@H](CN(C)c1nc(-c2cccnc2)nc2ccccc12)Oc1ccccc1 1857586374 QMFLTXUCJGWEFN-QGZVFWFLSA-N 370.456 4.596 0 1 FJAF CCC(CC)c1nn(-c2ccc(Cl)cc2)c2nc(C)cc(C(=O)O)c12 1857587680 SAJJODDKYDBBLM-UHFFFAOYSA-N 357.841 4.984 0 1 FJAF CC[C@H](C)/C=C/C=C(\C)C[C@@H](C)/C=C/C=C/[C@@H](O)[C@]1(C)C=C(O)C(=O)O1 3992348 WCQMJODEMARIPM-JRZRNWFPSA-N 360.494 4.792 0 1 FJAF CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)cc1 4211378 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350.349 4.662 0 1 FJAF Cc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2n1 587001024 KLSAFBCTJOXLKT-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF FC(F)(F)Oc1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079785 HFKJPIUHKFLSSG-AWEZNQCLSA-N 354.715 4.791 0 1 FJAF CCn1ncc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c1C 587105068 MZPRTGOXHPIFOX-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2C2CC2)[C@H]1c1ccc(F)cc1 587352116 LUCQJARCCFQOHJ-VCOUNFBDSA-N 352.405 4.839 0 1 FJAF COc1cccc(-c2cc(-c3cc(CO)on3)nc3c2oc2ccccc23)c1 587363982 VCQXCTJZTUOJCZ-UHFFFAOYSA-N 372.380 4.804 0 1 FJAF Cc1cc(-c2ccc(F)nc2)cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587386080 HUPPFHCMPRMIDW-HXUWFJFHSA-N 362.404 4.793 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccccc1CCCCF)[C@@H](C2)C3=O 587423921 LJJBVSOPPOGNEB-AVRDEDQJSA-N 354.421 4.650 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1F)(c1ccccc1)[C@@H](C2)C3=O 587425226 ALNJQSKTONSPIE-YADARESESA-N 374.411 4.720 0 1 FJAF CCC[C@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441113 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C[C@@H]1CC(=O)O[C@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)C1 40408172 JXXDUTXBMVLCBL-YSRRLDBSSA-N 354.490 4.960 0 1 FJAF CCCCCNC(=O)N(C)CCCC/C=C\CCCCCCC(=O)O 43068060 IQFHLFLTBSGBTI-VURMDHGXSA-N 354.535 4.970 0 1 FJAF COc1ccc(/C=C/C(=O)n2ccc3cc(Br)ccc32)cc1 72142926 FRTDBJZEHXYNMP-RUDMXATFSA-N 356.219 4.766 0 1 FJAF OC1(c2ccc(Cl)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1c[nH]c2ccccc12 101185010 AXPWNFAVTPIWHV-OALUTQOASA-N 366.892 4.836 0 1 FJAF CC1(C)C[C@H]2[C@@H](CCCN2C(=O)c2ccc3[nH]cnc3c2)c2ccccc21 117630791 CQGCKSUZPDACJW-UWJYYQICSA-N 359.473 4.633 0 1 FJAF CCN1C2CCC1([C@@H](NC(=O)c1c(C)cccc1C)c1ccccc1)CC2 141907522 IVALQCXBILWALL-HMXGKDEJSA-N 362.517 4.791 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@H](O2)[C@@H]1COCC1CCCCC1 169321623 MCXWYACNYOTKNC-XJHJQERZSA-N 350.499 4.578 0 1 FJAF C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 261157468 QFGBXMNKPLHDLK-HBBFBEMKSA-N 367.533 4.707 0 1 FJAF Cc1cc2nc(-c3ccc4c(c3O)CCCC4)[nH]c2cc1Br 586899136 WWOVBONFIKRXJO-UHFFFAOYSA-N 357.251 4.885 0 1 FJAF O[C@H]1C[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586902206 JWEZSBICXIJNHH-FZMZJTMJSA-N 352.743 4.804 0 1 FJAF FC(F)(F)Oc1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037008 QFKBGPWBTWVTTR-CYBMUJFWSA-N 356.394 4.902 0 1 FJAF CCc1cc(OCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)ccc1Cl 587052919 TVFKLRRPCSJSQY-UHFFFAOYSA-N 370.815 4.683 0 1 FJAF COc1cnc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1Cl 587065407 ZEZZLFVEPAMJSC-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CCC(=O)OC1=C(C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107762 VHJBUXSXQYADNB-UHFFFAOYSA-N 355.393 4.687 0 1 FJAF O=C(O)c1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1F 587241809 BABYRNLJXVABIA-UHFFFAOYSA-N 363.348 4.516 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(F)c3F)o1)O2 587386923 XWSHSODSBRAPKC-GOSISDBHSA-N 355.340 4.822 0 1 FJAF CCCCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440395 GTGFGEPGLNHXGZ-GCJKJVERSA-N 352.430 4.753 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1COc1ccccc1)[C@@H](C2)C3=O 587443750 PICMLSJBIJXUFZ-RDPSFJRHSA-N 372.420 4.763 0 1 FJAF Cc1ccc(/C(=C/N(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511713 MZIHCOLWAWBQIR-RNHBDSLOSA-N 361.485 4.810 0 1 FJAF O=C1C[C@@H](c2cccn2-c2nccs2)Oc2c1ccc1c2CCCC1 587536604 XJXQBKWENHLYKD-SFHVURJKSA-N 350.443 4.519 0 1 FJAF Cn1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587576171 HZKPNDIPOAEMTF-NZQKXSOJSA-N 371.392 4.587 0 1 FJAF CC1(C)[C@H]2CC[C@](C)(C2)[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604028 QOBOPKIQJOSIHE-SYZRHNAJSA-N 364.441 4.939 0 1 FJAF CC(C)(C)[C@@H]1C[C@@]2(CS1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587618706 QAOXQWXUUPZBQD-FIKGOQFSSA-N 370.470 4.644 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3c(C)nn(C)c3C)c(N3CCOCC3)c2c1 587642415 LXYDBCWCIWGYAR-AWEZNQCLSA-N 366.509 4.535 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc3C2)N1 587817425 KZSFOFIZRHZOAN-BLVKFPJESA-N 360.270 4.507 0 1 FJAF CCOc1cccc2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587876515 QBWLVRUXUSPZKF-UHFFFAOYSA-N 353.378 4.793 0 1 FJAF C[C@@]1(Cc2ccccc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962716791 WDNUPRAZSHPSKH-HRAATJIYSA-N 359.485 4.786 0 1 FJAF C[C@@]1(c2ccc(N)cc2Cl)c2ccsc2CCN1Cc1cccnc1 962995628 NLDZMDZEWOUBRH-HXUWFJFHSA-N 369.921 4.701 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(OCc3ccncc3)cc1)N1CCC[C@H]1C2 963101352 REUGGFAZKSVRAR-RDPSFJRHSA-N 374.459 4.910 0 1 FJAF CC(=O)N[C@@](C)(c1ccccc1)c1nc(-c2cccc3cccnc23)cs1 61897392 AOFGBAABQNWWLJ-QFIPXVFZSA-N 373.481 4.758 0 3 FJAF CSc1ccccc1CNc1nc(NCC2CC2)nc2ccsc12 61902264 BCIOBGLSBXDIDB-UHFFFAOYSA-N 356.520 4.847 0 3 FJAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCC1CCCCC1 775599 MLORLBPHQCXVKU-UHFFFAOYSA-N 370.493 4.958 0 1 FJAF O=C(c1ccc(N2CCCC2)cc1)N1CCCCc2cc(Cl)ccc21 13835103 WUYDFFGJLGTTED-UHFFFAOYSA-N 354.881 4.923 0 1 FJAF CC(C)(C)c1ccc(NC(=O)c2ccc(-c3ncccc3C(=N)N)cc2)cc1 40791315 OYJCXUJDIOXEPL-UHFFFAOYSA-N 372.472 4.582 0 1 FJAF CC(=O)O[C@H]1C=C2C(C)(C)CCC[C@]2(C)[C@@](O)(CCc2ccoc2)[C@@H]1C 59588456 SGXFKBQPKLDSQY-RWBNYIAVSA-N 360.494 4.668 0 1 FJAF biogenic,in-vitro Cc1sc2c(c1C(C)C)C(N1CCN(C)CC1)=Nc1cc(F)ccc1N2 61966138 ZJXUTGXZBLGBLL-UHFFFAOYSA-N 372.513 4.702 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 100743194 HNDKJDCYXITJAR-QZTJIDSGSA-N 372.468 4.684 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152303 VSHUCQXNUSYTML-IRXDYDNUSA-N 356.491 4.517 0 1 FJAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(OC)cc4OC)cc23)cc1 103225135 KFDRCCYTVOCUEC-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc(F)cc2F)ccc1O 205727177 DAFRJJDLADKBAH-UHFFFAOYSA-N 361.294 4.868 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587048300 GULARUVBDUBHER-RKDXNWHRSA-N 365.191 4.978 0 1 FJAF Cn1nc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c2ccccc21 587104298 GCINSUGIGADZAD-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF COc1c(F)cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc1F 587135255 XOMPVJDFJCGFGK-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF Brc1ccc2c(c1)OCCc1c-2nc2cccc3c2c1CC3 587207240 DXTSGORVLPEYDA-UHFFFAOYSA-N 352.231 4.698 0 1 FJAF CSc1ccc([C@]2(CCC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409814 JPKFJMGVMQNGLW-NRFANRHFSA-N 369.486 4.529 0 1 FJAF COc1cc2c3c(c1)O[C@H](C(c1ccccc1)c1ccccc1)[C@@H](C2)C3=O 587445281 JGQFUIOFOKRQNG-CYFREDJKSA-N 356.421 4.643 0 1 FJAF COc1cc2c(cc1F)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587503500 FVANLEKPFKWVLU-JOCHJYFZSA-N 352.405 4.520 0 1 FJAF COc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccc12 587515220 MDUMQMJMMWFOFM-OAQYLSRUSA-N 359.425 4.829 0 1 FJAF C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589436 OQCSCCOZIPRAON-REWPJTCUSA-N 371.392 4.751 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587609985 AZEPUIRLBSMNLY-XLIONFOSSA-N 352.411 4.773 0 1 FJAF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c1 587631763 SOUXLLHNRDUIBY-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2c[nH]c3ccccc23)N1 587808503 ZLPWYUTXQXTJCS-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF COc1ccc(CNc2c(-c3ccccc3OC)nc3ccccn23)cc1 653717515 FJCFGTLMOGOGMO-UHFFFAOYSA-N 359.429 4.631 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@@H](c2csc3ccccc23)N1)C(F)(F)F 962763300 JZMABGMCZBDUJT-WBVHZDCISA-N 361.388 4.636 0 1 FJAF Cc1ccc(Oc2ccc([C@@H]3NCCc4c3c(C(C)C)nn4C)cc2)cc1 962912980 PWSJZZWXMIIZCO-QHCPKHFHSA-N 361.489 4.879 0 1 FJAF FC(F)(F)c1cccc2c1[C@@]1(CC[C@H](C3CC3)C1)NCC21CCOCC1 962960538 VEGGELCJPZDOJH-YWZLYKJASA-N 365.439 4.762 0 1 FJAF Cc1[nH]c(C)c([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1Br 963103267 KXHMSNHLRCZZJN-SCLBCKFNSA-N 363.274 4.643 0 1 FJAF CC1(C)OC[C@H]([C@]2(C)CC[C@]3(C)[C@H](CC[C@]45C[C@]4(C)CC[C@@H](O)[C@H]35)C2)O1 2356562418 SKELSLCGYZIGFV-JNJNGYKKSA-N 362.554 4.912 0 1 FJAF C[C@]12CCC(=O)C[C@H]1CC[C@H]1C3=CC=C(C4=CC(=O)OC4)[C@]3(C)CC[C@@H]12 6417121 WKSLITSQKVNEJV-YYQOPWKNSA-N 352.474 4.538 0 1 FJAF biogenic O=C(Nc1ccccc1C(=O)O)c1cccc(Oc2ccc(F)cc2)c1 13611244 HPTXSHNYGZHJLA-UHFFFAOYSA-N 351.333 4.569 0 1 FJAF FC(F)(F)c1ccc(/C(=C/n2cncn2)OC2CCCCCC2)cc1 26270661 XNYPFHMVWQVGFJ-BOPFTXTBSA-N 351.372 4.992 0 1 FJAF CCOC(=O)c1ccc(C=C2c3ccccc3C(=O)c3ccccc32)cc1 27081879 WYPQYCARXQUTLY-UHFFFAOYSA-N 354.405 4.997 0 1 FJAF COc1ccc2cc(C(=O)Nc3nc4ccc(F)cc4s3)ccc2c1 28840053 FRAZLJWUTVBYNA-UHFFFAOYSA-N 352.390 4.850 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82197254 RQWVXRDNFLGEFD-HZPDHXFCSA-N 363.509 4.965 0 1 FJAF COc1ccc(OC)c([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)c1 85932312 SZUUCCHCUGGUGG-PXZGAOKCSA-N 372.461 4.806 0 1 FJAF biogenic C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc([18F])cc3)ccc2o1 101507034 VGSYEFOBFMUWGO-VWYWBXTJSA-N 350.424 4.830 0 1 FJAF CCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc1 103543414 CQMUJCMJJFNRMA-LJQANCHMSA-N 369.461 4.703 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@@H]3C[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@]3(C)[C@@]4(C)[C@]21O 103575405 ULSKENBXGBZRRW-MYLRXORLSA-N 372.549 4.991 0 1 FJAF biogenic,in-vitro Oc1c(Br)cc(CCc2ccccc2F)cc1Br 139435579 QIAZOOFDLIYZPI-UHFFFAOYSA-N 374.047 4.842 0 1 FJAF COC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 169351139 CBNNPWOODQAMIN-BPGUZKLNSA-N 371.527 4.516 0 1 FJAF Fc1c(-c2cnc3[nH]ccc3n2)ccc(C2CCC2)c1Oc1ncccn1 224580776 DFPRCYFUWWZDHO-UHFFFAOYSA-N 361.380 4.614 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 586897782 JKNFAZBBWFMRPO-UHFFFAOYSA-N 358.397 4.764 0 1 FJAF CSCC(C)(C)c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1 586969313 QEEOFHVDZPMVBY-UHFFFAOYSA-N 367.234 4.985 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1 587035399 PTFLINKQWLXETM-LJQANCHMSA-N 374.465 4.712 0 1 FJAF CCc1cc(OCc2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Cl 587052909 SNOPYLRWPCWEMY-UHFFFAOYSA-N 355.747 4.772 0 1 FJAF OCc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2c1 587063836 ZBFSAZICIBJIPL-UHFFFAOYSA-N 364.832 4.955 0 1 FJAF Fc1cc(CCc2nc3cc(Br)cc(F)c3[nH]2)cc(F)c1F 587138385 JYXGFRWBYWMVPW-UHFFFAOYSA-N 373.147 4.667 0 1 FJAF O=C(Nc1cccc(-c2nc3ccnc(Cl)c3[nH]2)c1)c1ccc(F)cc1 587162677 HRXYVXLNIOLYAH-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4ccc(F)cc34)[nH]c2c1 587175980 YZGGEAFSFJALGH-INIZCTEOSA-N 350.441 4.723 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cc(Cl)cc1OC)CC2=O 587465020 FCUYWOHCBVXOTH-KRWDZBQOSA-N 364.800 4.852 0 1 FJAF COc1cccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587502952 JEFHJXJOEFIXML-INIZCTEOSA-N 354.421 4.680 0 1 FJAF CC1=C(C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601694 FSANCPPKQQCIBY-MPHOGZCYSA-N 350.414 4.859 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)cc2)N1 587698308 NUOLLLBODHVYGZ-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(F)(F)F)N1 587710897 UZRPRYGEDRRACM-ISVAXAHUSA-N 354.185 4.896 0 1 FJAF Cc1cc2c(cc1C)[C@@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818673 SFQIZSJXMNSFFC-RNODOKPDSA-N 374.297 4.929 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccoc23)N1 587828847 AGYHXUXJXOWDHM-QGHHPUGFSA-N 360.226 4.958 0 1 FJAF Nc1ccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)cc1 587924870 BBFXVUKBUBGFFR-UHFFFAOYSA-N 358.397 4.510 0 1 FJAF COc1cc(C2(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CC2)ccc1C 587926561 IYBFMOCAHMAIIM-UHFFFAOYSA-N 350.315 4.516 0 1 FJAF COc1cccc(CCc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587930482 GVIKLOPNTAHUMI-UHFFFAOYSA-N 358.441 4.936 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc3c(s2)CCCC3)N1 962939931 CIIJCVAVWYQPQP-ASSNKEHSSA-N 351.519 4.691 0 1 FJAF COc1ccc(Cl)cc1COc1ccccc1C(=O)Nc1cccnc1 1857549131 AINIKHSUJGKEJE-UHFFFAOYSA-N 368.820 4.575 0 1 FJAF c1ccc2c(=NCCCCNCc3csc4ccccc34)cc[nH]c2c1 1857758436 SPZBOMLYQILZMK-UHFFFAOYSA-N 361.514 4.853 0 1 FJAF CC(C)=C[C@H](O)CC(C)=CCCOc1c2ccoc2cc2oc(=O)ccc12 2356313127 RAKRMIHGFRITFM-INIZCTEOSA-N 368.429 4.972 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccncc1)[C@@H]2O 5582967 SOWVSBMETYFGLF-XSKIZVDTSA-N 361.485 4.698 0 1 FJAF in-vivo C=C[C@]1(C)CC[C@@H]2C(=C3C(=O)Nc4cccc(c43)C2(C)C)[C@@H]1N=C=S 14422156 NQEQFUOQGBHGNH-LZHZSBQWSA-N 350.487 4.757 0 1 FJAF biogenic C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncn1 26403573 OPZZGUYTLJJHBP-LUSLFINUSA-N 352.522 4.884 0 1 FJAF Cc1c(-c2cccs2)nc(OC[C@@H](N)C(C)C)nc1-c1cccs1 28524263 GUYBZOVEBFRZEC-CYBMUJFWSA-N 359.520 4.604 0 1 FJAF CN(C)C/C=C(\c1ccccc1OCc1ccc(Cl)cc1)n1ccnc1 28765445 ISWGRZIXFXZLRY-RGVLZGJSSA-N 367.880 4.566 0 1 FJAF NC(=S)Nc1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818369 NXZWOHQDWDBTTO-UHFFFAOYSA-N 361.470 4.529 0 1 FJAF CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1 28867694 NZQPLTFMMZVHAD-UHFFFAOYSA-N 363.299 4.693 0 1 FJAF COc1ccc([C@H]2CC[C@@H](OCCCCCc3cccnc3)O2)cc1OC 29309096 MFTIEUGKMLRBCW-KNQAVFIVSA-N 371.477 4.706 0 1 FJAF Cc1c(NC2CC2)nc(C2CC2)nc1N1CCC(Cc2ccccc2)CC1 34802241 ZXGBUYYCGYRAJF-UHFFFAOYSA-N 362.521 4.696 0 1 FJAF CCOCCOc1ccc(-c2cn3nc(SCC(C)C)ccc3n2)cc1 72173227 PQTCEEGQDHTBJA-UHFFFAOYSA-N 371.506 4.560 0 1 FJAF O=C1NC(=O)/C(=C/c2c(-c3ccccc3)[nH]c3ccc(Cl)cc23)S1 73139729 YUTZUPBDOJSTPR-DHDCSXOGSA-N 354.818 4.812 0 1 FJAF Cc1c(O)c(=S)ccn1Cc1ccc(-c2ccc3c(c2)OCO3)cc1 95563942 ADMYHGDTTYDOIN-UHFFFAOYSA-N 351.427 4.676 0 1 FJAF O=C1CCc2cc([C@@H](c3cccnc3)c3cccc(Cl)c3)cc3c2N1CC3 95596155 CSLHEZWDQXNXJA-JOCHJYFZSA-N 374.871 4.751 0 1 FJAF O=C(CCCN1C[C@@]2(c3cccc(O)c3)CCC[C@H]1C2)c1ccc(F)cc1 101212887 HUDQJSMIYSICGD-NZQKXSOJSA-N 367.464 4.690 0 1 FJAF CC(C)C[C@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197708 JILLWYOFJGHBEP-LBPRGKRZSA-N 353.388 4.841 0 1 FJAF CCN(C)Cc1ccc(C(=O)Nc2cc(-c3ccccc3)ccc2O)cc1 140871718 FFIWPBCXFGWKBO-UHFFFAOYSA-N 360.457 4.763 0 1 FJAF CSC1=N[C@H]2/C(=C(\O)OCCCCCSc3ccccc32)C(C)=N1 169367362 PIRYLGGXEKYRTL-IBOXJLQUSA-N 362.520 4.983 0 1 FJAF CC(=O)OC/C(=C\CC/C(C)=C\CO)CC/C=C(\CO)CCC=C(C)C 238730797 KUVDJZSOBICLHS-OZSZNYCDSA-N 364.526 4.640 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3ccsc3)nc3ccccc23)cc1 299867036 PRNGGWHIGGUANO-OAQYLSRUSA-N 362.454 4.623 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 586981357 ADUQJPLBENELNT-UHFFFAOYSA-N 371.021 4.507 0 1 FJAF CCOc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cn1 586987963 IUIKAHROBYDBPP-UHFFFAOYSA-N 368.392 4.613 0 1 FJAF Fc1c(Br)cc2nc([C@@H]3Cc4ccccc4S3)[nH]c2c1F 587043835 VSWXOKVADXXEOX-NSHDSACASA-N 367.218 4.993 0 1 FJAF 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COc1cc(C)cc2c1OCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587535164 JCFPZWWZUZJYQL-QHCPKHFHSA-N 364.441 4.526 0 1 FJAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603911 SHUJAUZYKIEOIT-NZQKXSOJSA-N 360.409 4.832 0 1 FJAF CC1=CCC[C@H](C)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603990 TUHOTLWSXDOZKU-GJLBYMJHSA-N 350.414 4.715 0 1 FJAF COc1cc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783438 BHTNDWUIXRXDQI-XFXZXTDPSA-N 357.413 4.716 0 1 FJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587785791 ORAOCXFYABCLLO-UONOGXRCSA-N 360.335 4.525 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ccc3c2)N1 587803437 PXIRXMQYQXWUDE-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF CC[C@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847587 LOOGIWKAODGAHU-QLJPJBMISA-N 354.288 4.838 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2cccs2)(C2CC2)N1 587850910 GKFHEHBYGBLJIB-BMLIUANNSA-N 366.299 4.838 0 1 FJAF COc1ccc(-c2nnc(-c3ccc4nc(C=C5CCC5)[nH]c4c3)o2)cc1 587965308 QZFYBKVKDPLORJ-UHFFFAOYSA-N 358.401 4.856 0 1 FJAF C[C@@]1(c2ccc3c(c2)CCC(=O)N3)NCCc2cc(-c3ccccc3)ccc21 962667775 MDGDBSASZZPJPS-VWLOTQADSA-N 368.480 4.648 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1ccccc1-c1cccc(N)c12 962950656 HOIDANZWLUCETM-MQNRADLISA-N 365.480 4.947 0 1 FJAF CO[C@H](C)c1ccc([C@@H]2c3cccc(Br)c3CCN2C)cc1 963270610 QBVGKAQETMOJTB-BFUOFWGJSA-N 360.295 4.734 0 1 FJAF Cc1ccc([C@]2(c3cccc(F)c3)NCCc3cc(Cl)ccc32)nc1 963380339 JNKQIIXLDQKMSY-OAQYLSRUSA-N 352.840 4.620 0 1 FJAF COc1ccc(-c2c(-c3ccc(C)cc3)[nH]c3ccc(N)cc3c2=O)cc1 1772645957 ATFHABKUSCTSBE-UHFFFAOYSA-N 356.425 4.761 0 1 FJAF CCO[C@H]1Cc2ccccc2C2(CCC(NCC3CCCCC3)CC2)O1 1857588062 LKSVIRCJQQMHGO-GTMAMOSYSA-N 357.538 4.930 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@@H](O)CC(=O)O 2356532292 VSFCXUJTWJIBPN-YOUFYPILSA-N 354.531 4.708 0 1 FJAF COC1=CC2=NC1=Cc1ccc([nH]1)[C@H](O)CCCCCCCc1ccc2[nH]1 2356557813 CJNWTZNDFHFRKJ-OAQYLSRUSA-N 365.477 4.647 0 1 FJAF Fc1ccc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)c(F)c1 2382227647 UJMVPXXTQPZCBP-KRWDZBQOSA-N 371.412 4.729 0 1 FJAF Cc1ccc(N2CCC(C(=O)Nc3ncc(Cl)s3)CC2)cc1Cl 2382242334 GMPWJTWQJYUMQI-UHFFFAOYSA-N 370.305 4.613 0 1 FJAF Cc1ccc(Nc2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)cc1 13488454 JLCLSMWGDDQREJ-HSZRJFAPSA-N 373.500 4.586 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CCO[C@H]2O3)cc1 13609177 QIYIAVWWIGXXBQ-PZJWPPBQSA-N 353.418 4.817 0 1 FJAF c1ccc2cc(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)ccc2c1 13648462 ITOOUVYEXCVRSR-UHFFFAOYSA-N 358.449 4.994 0 1 FJAF Cc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccnc4)c[nH]3)c2)cc1 40402257 GPYPGGOBTAEZTK-UHFFFAOYSA-N 369.428 4.776 0 1 FJAF Cn1ncc2c(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)cccc21 68205241 ISIVDHLDBCHKDM-UHFFFAOYSA-N 366.424 4.902 0 1 FJAF CNc1nc2cnc(Nc3cccc(Cl)c3)cc2n1Cc1ccco1 74388277 KTGZMMOCXFOTKB-UHFFFAOYSA-N 353.813 4.511 0 1 FJAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@@H]1C(C)(C)[C@H]2CC[C@]1(C)O2 85991351 FDXWQZPEESTRTQ-TUUPDKKASA-N 358.478 4.953 0 1 FJAF Cc1cc(Cl)cn2cc(CSc3nc(-c4ccccc4)cn3C)nc12 113423010 BFKWNRUJDWGNAH-UHFFFAOYSA-N 368.893 4.989 0 1 FJAF FC(F)(F)c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 207336321 DNYCNZDXHHAKTJ-UHFFFAOYSA-N 355.323 4.554 0 1 FJAF COC[C@@H](C)Oc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 219338934 HIYQMCOWSKXCDK-LLVKDONJSA-N 359.809 4.600 0 1 FJAF Fc1cccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984486 GBQGRZGHOZJVAJ-QGZVFWFLSA-N 374.257 4.650 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587011453 GVSSGGXGDSNXCN-UHFFFAOYSA-N 374.338 4.921 0 1 FJAF Clc1cc2ccc(-c3nc4ccnc(Br)c4[nH]3)cc2cn1 587084487 BDOAFZUOOUMCPF-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Fc1c(Br)ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587114990 CHQKZDPBTGCAQW-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)cc(F)c2[nH]1)C1CCCC1 587224195 GFRBZRXVZJCDQM-CQSZACIVSA-N 351.397 4.597 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C)cc(F)c4[nH]3)c2)c1 587232597 VDZSFSBNDNNUIC-UHFFFAOYSA-N 373.431 4.628 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c2)c1 587232902 DTUKQBDXBQWSBQ-HXUWFJFHSA-N 357.417 4.662 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cccc(N)c21 587472326 GPXNDACJRHLVQQ-XMMPIXPASA-N 371.436 4.816 0 1 FJAF CCCOc1cc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)ccc1OC 587480385 JILKLAAUIIQBLP-FQEVSTJZSA-N 370.445 4.849 0 1 FJAF CN(C)c1cccc(Cl)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587501726 CVRBNWIPERCHQX-IBGZPJMESA-N 355.865 4.991 0 1 FJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc2ccccc21 587578037 PUDPAWJXZCJOAQ-REWPJTCUSA-N 371.392 4.587 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(F)cc2)N1 587731596 HJZQMTUZYRPHTK-MEDUHNTESA-N 366.249 4.935 0 1 FJAF Cc1ccccc1OC[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587802048 PIBRYPQKUDKDIH-WFASDCNBSA-N 364.258 4.551 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1cnc(CCc3ccccc3)s1)NCC2 962142872 GNXCUXQFXNMRJB-NRFANRHFSA-N 352.478 4.611 0 1 FJAF COc1ccccc1C[C@H]1COC(=O)[C@@H]1Cc1ccc(Cl)c(Cl)c1 1772587949 FKAMQWCADROTDU-LSDHHAIUSA-N 365.256 4.576 0 1 FJAF Cc1ccccc1-c1cccc(CNc2ccc(OCC(=O)O)c(F)c2)c1 1857560636 BTDJUKVOKKMSFU-UHFFFAOYSA-N 365.404 4.877 0 1 FJAF O=C(CN1C=C[C](Cc2ccccc2)C=C1)c1ccc(Br)cc1 2356864079 XAQQAFGEOHTJLJ-UHFFFAOYSA-N 367.266 4.792 0 1 FJAF Cc1ccccc1NC(=O)Nc1scc(S(=O)(=O)C(C)C)c1Cl 1037737 KUVNXHYCXUDITE-UHFFFAOYSA-N 372.899 4.536 0 1 FJAF CSc1ccc(CN(C)C(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1 13135809 RJMCOTDGXANQGQ-BANKROOTSA-N 363.954 4.945 0 1 FJAF CC(C)=CCC/C(C)=C/C/C=C\C/C=C\CCOC(=O)COCCO 27085499 UHMNPPKMNGQADQ-OBPBPZBESA-N 350.499 4.514 0 1 FJAF Cc1cc(C)nc(N2C(=O)CS[C@H]2CC23CC4CC(CC(C4)C2)C3)c1 40401735 FCYAHCQICPCEKI-FFWRVTDESA-N 356.535 4.711 0 1 FJAF CC(C)c1csc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)n1 49781445 LTFPRHFKERUWCV-UHFFFAOYSA-N 361.883 4.753 0 1 FJAF CCc1nc(-c2ccc(OC)cc2Cl)c(OC)nc1NC(CC)CC 72175383 XTIZJLIFJASKFU-UHFFFAOYSA-N 363.889 4.977 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1cc(Br)ccc1O 84731463 AIIOSYHONPHXKI-UHFFFAOYSA-N 372.671 4.604 0 1 FJAF Cc1cccn2c([C@@H]3CC(c4ccccc4)=NN3)c(-c3ccc(F)cc3)nc12 95592360 ITTRKZJFUJBSHX-FQEVSTJZSA-N 370.431 4.888 0 1 FJAF COc1cccc(F)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1 96167691 AAZFQOKHSPCTNE-UHFFFAOYSA-N 360.392 4.892 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 586887742 IZTKHEBBLLHYIS-AOMKIAJQSA-N 370.452 4.939 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(Cl)cn3)nc3ccc(O)c1c23 586985010 CQIVWQMEZULODE-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccsc1CC3 586993363 KYJMMDGZRACHAC-UHFFFAOYSA-N 355.418 4.979 0 1 FJAF Clc1ncc(Br)c2nc([C@@H]3Cc4ccccc4S3)[nH]c12 587043543 RHNKIZLLVZOEMN-JTQLQIEISA-N 366.671 4.763 0 1 FJAF Nc1c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cnc2c(F)cccc12 587176818 UAFUITCEQXZVDH-UHFFFAOYSA-N 364.277 4.657 0 1 FJAF Oc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CSc1ncccn1 587216909 QHQMLQHKYXZJMB-UHFFFAOYSA-N 371.465 4.788 0 1 FJAF CC[C@H](C)CN(C)c1ccc(F)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587386955 YGJRQJMIEOYHRQ-YEJXKQKISA-N 370.468 4.905 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)ccnc1Cl)CC2=O 587459650 FDXAWVCOZUVJHL-GOSISDBHSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(OC(F)F)c1)CC2=O 587466551 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354.288 4.642 0 1 FJAF COc1cccc(C2(c3nc4c(Br)ccnc4[nH]3)CCCC2)c1 587930637 IWUQAAGYVFRJPZ-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF CCN(CC)c1ccc([C@H]2c3ccsc3CCN2Cc2ccco2)o1 962701735 DPCJILZHXPPBEZ-HXUWFJFHSA-N 356.491 4.928 0 1 FJAF CCCCCCNC(=O)Nc1ccc(-c2ccnc3[nH]nc(C)c23)cc1 1772576627 JYSCRDCBJSBWKB-UHFFFAOYSA-N 351.454 4.635 0 1 FJAF Cc1ccc(-c2nc3ncn(-c4c(C)cccc4Cl)c(=O)c3s2)cc1 1857549948 FBJTVOQAONYYLT-UHFFFAOYSA-N 367.861 4.779 0 1 FJAF COC(=O)C[C@H](CC[C@@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@@]12C)C(=O)OC 2356463492 AXMJAEHKLHWQFC-SUWCGCSTSA-N 364.526 4.918 0 1 FJAF CCC=CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CCCCCC(=O)O 2356596742 QWOUVGWCGKEVEB-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF Cc1c(OCCCCOc2ccccn2)ccc(C(=O)CC(C)C)c1O 28358113 KWEIZFBLOXENLW-UHFFFAOYSA-N 357.450 4.562 0 1 FJAF Cc1ccc(-c2nc(CN(Cc3cccnc3)Cc3cccnc3)co2)cc1 72186628 SYUCBGSNQNPKKA-UHFFFAOYSA-N 370.456 4.642 0 1 FJAF CC(C)Oc1cccc(Nc2nccc3c2cc(-c2cnn(C)c2)n3C)c1 82078244 KZXUXJBPQQDFRG-UHFFFAOYSA-N 361.449 4.505 0 1 FJAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@@H]1c1ccccc1Cl 82149306 FASZLLAYFQRGSJ-HXUWFJFHSA-N 350.805 4.732 0 1 FJAF O=c1[nH]c(O)c(Cc2ccc(OCCC3CCCCC3)c(Cl)c2)s1 169700821 AAWBBPZCPBZHFH-UHFFFAOYSA-N 367.898 4.735 0 1 FJAF Cc1cc2cc(-c3nc4ccc(C(=O)O)cc4nc3N(C)C(C)C)ccc2[nH]1 205087353 QGGBKOZHYLWKJJ-UHFFFAOYSA-N 374.444 4.629 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 586893040 UHRWJMVVEXQPNH-RCDICMHDSA-N 372.472 4.540 0 1 FJAF Oc1c(Br)ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c12 587084908 JBJGWGYHJFCZEQ-UHFFFAOYSA-N 374.625 4.900 0 1 FJAF Cc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1Cl 587108665 ODNJBTJYQJYEEN-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF Nc1c(F)cc(-c2nc3cc(Br)cc(Cl)c3[nH]2)cc1F 587134252 CUYMRZLJFKKXAS-UHFFFAOYSA-N 358.573 4.506 0 1 FJAF Fc1ccc(O[C@@H](c2ccccc2)c2nc3cnccc3[nH]2)c(Cl)c1 587159081 MDRHZDXJPVAUQH-SFHVURJKSA-N 353.784 4.919 0 1 FJAF O=C(Nc1cccc(-c2nc3c(Cl)ccnc3[nH]2)c1)c1ccc(F)cc1 587164188 XWCILLWMXFDSRE-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF CC[C@@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342114 YXTASKWYGCGLLZ-IRLDBZIGSA-N 363.388 4.591 0 1 FJAF Cc1ccoc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347248 ATDLSIFYHOGZNY-GHTZIAJQSA-N 352.361 4.707 0 1 FJAF C[C@]12C[C@@H]1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354506 QWKXPSZLZBAHSN-GLYDZZHWSA-N 352.405 4.839 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587446581 ZHZXJKKBSVZQNW-FAHJTYSBSA-N 350.458 4.813 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3ncccc3O)C1)CC2=O 587488619 QZNWPMONGGNRCV-PEBXRYMYSA-N 367.445 4.507 0 1 FJAF Cc1c(F)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587557815 OQIQTFQQTZXQKF-DYESRHJHSA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccccc12 587603908 QCLFYGFROBNCIG-URXFXBBRSA-N 372.420 4.976 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)c(F)c2)N1 587713799 CYWMAVJWDPSEQQ-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF Cc1cc2nc(COC/C=C/c3ccccc3)[nH]c2cc1Br 587781174 RKWCZLISGHFZCD-VMPITWQZSA-N 357.251 4.864 0 1 FJAF COc1ccc(C)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810934 YLZDSHALKDJKLQ-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1C[C@H]2C 587823551 PZTJXIUDUTXVEQ-CLUVUEOHSA-N 360.270 4.558 0 1 FJAF CCCCCCC(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587867541 ISHGJEJSJGGTHF-UHFFFAOYSA-N 355.360 4.583 0 1 FJAF C[C@]1(c2cccc(S)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696998 HIOSSVRCZKQMNQ-YWZLYKJASA-N 359.535 4.742 0 1 FJAF C[C@]1(Cc2ccccc2F)c2cccc(F)c2CCN1[C@H]1CCSC1 962716797 WDNUPRAZSHPSKH-KKSFZXQISA-N 359.485 4.786 0 1 FJAF CC(=O)O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@](C)(O)[C@H]2CC[C@@]1(C)O2 2356506160 DPTKQCRAINPRHK-CLAROIROSA-N 364.526 4.710 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 61896786 NNSBFNDBGPTNQT-OAQYLSRUSA-N 362.454 4.623 0 3 FJAF CC(=O)c1ccc(Nc2nc([C@@H](N)Cc3ccc(Cl)cc3)cs2)cc1 61904433 PRFCIRPNGDZFCD-KRWDZBQOSA-N 371.893 4.985 0 3 FJAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(C(C)C)cc2)O1 95566995 RMWUUAXMODOHIW-YJBOKZPZSA-N 358.507 4.777 0 3 FJAF COC(=O)c1[nH]cc(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccc(O)cc12 13378079 UTLACMOGKIDNLW-UHFFFAOYSA-N 371.396 4.804 0 1 FJAF biogenic COc1cccc(C(=O)NC2(C(=O)c3cc(C)cc(C)c3)CCCC2)c1C 13490019 XMNMWMZCEIDRDP-UHFFFAOYSA-N 365.473 4.546 0 1 FJAF CCCc1cc(OC)cc(OC(=O)c2c(O)cc(OC)cc2CCC)c1 15115369 JKMXDCXIFDAEJT-UHFFFAOYSA-N 358.434 4.534 0 1 FJAF biogenic CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1CCC=C2C(=O)O 15155394 AIXFHEQYDFHUMC-KXYFNNKZSA-N 374.477 4.619 0 1 FJAF biogenic COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(F)cc1 28221292 HPSDDURLAUPPKD-UHFFFAOYSA-N 350.415 4.615 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(-c2cc3cc(N)ccc3oc2=O)cc1 28710699 WWWLNIZLSIHRAE-UHFFFAOYSA-N 370.452 4.674 0 1 FJAF COc1ccc2c(c1)OC[C@@H]1c3cc(O)c(OC)c(CC=C(C)C)c3O[C@H]21 43023660 KSFWNDOCIUMRTJ-YLJYHZDGSA-N 368.429 4.528 0 1 FJAF biogenic CC1(C)C[C@](CCNc2cccc(C(=O)O)c2)(c2ccccc2)CCO1 72109344 YZIRKTYWKMFTPL-JOCHJYFZSA-N 353.462 4.714 0 1 FJAF Cc1ccccc1OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100728209 LNDIIWNPPXKDSX-XCJLJZCSSA-N 369.892 4.820 0 1 FJAF Cc1c(-c2ccccc2)nn(-c2cncc(C(=O)O)c2)c1-c1ccccc1 103249874 JUFWYKIZADBSGN-UHFFFAOYSA-N 355.397 4.608 0 1 FJAF Fc1ccc([C@@H]2CNCC[C@H]2c2cc(-c3ccc(Cl)cc3)[nH]n2)cc1 139919291 GWHBSRDSHWUKBB-MSOLQXFVSA-N 355.844 4.730 0 1 FJAF O=C1NC[C@H](c2ccc(C3CCCCC3)cc2)N1c1ccn2ccnc2c1 144171495 SSQDPAQHXXTYHL-HXUWFJFHSA-N 360.461 4.653 0 1 FJAF COc1ccc(-c2nc3ccccn3c2-c2nc3cc(OC)ccc3[nH]2)cc1 473152661 UXCSOBYNPJKLGO-UHFFFAOYSA-N 370.412 4.562 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 586918412 YJKIGGRLOAADJY-LIRRHRJNSA-N 374.362 4.798 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C[C@@H](C(F)(F)F)C3 586985936 HOLJNUXJFGRISA-SNVBAGLBSA-N 367.326 4.900 0 1 FJAF c1ccc(COc2cccc3nc(-c4csc5c4CCOC5)[nH]c23)cc1 587031666 KIJOAIWQOBJPTM-UHFFFAOYSA-N 362.454 4.943 0 1 FJAF Cn1ccnc1[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587103904 CACJLFFHLLWLOI-QGZVFWFLSA-N 365.436 4.648 0 1 FJAF O=C(O)c1sccc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587209126 JZCCOSUGPCQMKZ-UHFFFAOYSA-N 357.390 4.873 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587424228 YBBFZTHDBOXCBV-KXYZFELMSA-N 354.368 4.570 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2SC[C@@H]1C 587498189 ZIYXZLLWBGUBRK-YEJXKQKISA-N 354.471 4.947 0 1 FJAF O=C1C[C@H](c2cc(Cl)cc3c2OCC3)Oc2c1ccc1c2CCCC1 587503441 UMGSZRCEDATAJV-LJQANCHMSA-N 354.833 4.860 0 1 FJAF CCOC(=O)C[C@]1(CCC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522127 FZLXYYFWPAZFKS-QFIPXVFZSA-N 358.478 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)ccc2F)N1 587713450 CIKQGQVYQAVBTA-HUTHGQBESA-N 370.212 4.664 0 1 FJAF COc1cc(C)cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806661 IDJAXFCGLLBXLD-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF CSCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587842227 DBRRJDJSHGAZDU-JDNHERCYSA-N 370.287 4.668 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1cccc(Cl)c1 587867742 DDKQCKHVGGEGRS-UHFFFAOYSA-N 367.758 4.674 0 1 FJAF COc1ccc(C[C@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC 587925270 DIVNSYATCCIAAD-NSHDSACASA-N 364.367 4.945 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cccc(C)c4[nH]3)c(O)c2)cc1OC 587926398 GUTRPIQMEBTNHC-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF CCc1ccc(C(=O)CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587955514 LRCZSSODIQBNSQ-UHFFFAOYSA-N 362.351 4.839 0 1 FJAF COc1ccc([C@@]2(c3cccs3)NCCc3cc(C)c(F)cc32)cc1 962085995 BFJIPZFQOPXXGN-OAQYLSRUSA-N 353.462 4.642 0 1 FJAF CCc1ccc(C[C@]2(C)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1 962625595 JJZUXTJJIWDKTF-WAIKUNEKSA-N 353.506 4.601 0 1 FJAF CCc1nc2c(s1)[C@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962702506 AIUBWOVMEJXSIR-FQEVSTJZSA-N 370.543 4.998 0 1 FJAF C[C@@]1(c2cccc3ccccc23)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962729919 LASLBZLBSDMGQW-PZJWPPBQSA-N 369.386 4.749 0 1 FJAF COc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)c(F)c1F 962998698 PLUTVHSQITXJBT-FQEVSTJZSA-N 372.440 4.578 0 1 FJAF Oc1ccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2[C@@H]3O)cc1 1857630985 CGBKABBBVJZPAJ-DEOSSOPVSA-N 367.404 4.889 0 1 FJAF COc1ccc2[nH]cc(-c3nn4cc(-c5ccsc5)nc4s3)c2c1 2382222232 HMTFCMWUHQPOAC-UHFFFAOYSA-N 352.444 4.676 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@@H]2c2ccccc2)O1 61920928 WBXIKGVHDUBYET-WIYYLYMNSA-N 364.441 4.713 0 3 FJAF CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1 13674374 HFANPJHPCHNSRE-OAHLLOKOSA-N 350.466 4.556 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)c(Cl)c3)cn12 14961191 CTYRURASUKIBHM-UHFFFAOYSA-N 356.788 4.967 0 1 FJAF COc1ccc(Cc2ccc([C@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26639164 LRKPIEDFECOPDM-AWEZNQCLSA-N 350.414 4.636 0 1 FJAF OC[C@H]1[C@@H]2CC[C@@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN2C3 95561685 HMYQAZJCQGMLQI-BJKNIYCQSA-N 359.513 4.850 0 1 FJAF C[C@H](O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273125 BCHNIYXXBVTMRH-AWEZNQCLSA-N 355.434 4.534 0 1 FJAF CC(=O)OC1=C(c2cccc3ccccc23)Oc2ncccc2[N+]2=C1CC=C2 101376427 SOAVQLQAAUVZRF-UHFFFAOYSA-N 369.400 4.562 0 1 FJAF CSc1ccc([C@H]2CC[C@@H](NC(=O)Nc3cccc4[nH]ncc34)C2)cc1 169704902 BMPPXPJQMXLRFH-LSDHHAIUSA-N 366.490 4.743 0 1 FJAF CN(C)Cc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474602147 AMNISPSBPFXXKY-UHFFFAOYSA-N 352.825 4.835 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)cncc3[nH]2)cc1 586878339 DPZHCFNIECHCAM-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF CC(C)c1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)co1 586988336 PGYPTZHUYWQFEQ-UHFFFAOYSA-N 356.381 4.930 0 1 FJAF CCOC(=O)[C@@H](F)c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 586995053 HNBQUPQEKRKDFT-SFHVURJKSA-N 363.388 4.637 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4cc(O)ccc4[nH]3)cc2)n1 587022101 ULWMPTCLGPAURA-UHFFFAOYSA-N 353.472 4.993 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc12 587082134 LKMRDTHJVQDSNO-UHFFFAOYSA-N 352.825 4.733 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587201188 JISCHFSRVKWRHZ-UHFFFAOYSA-N 365.355 4.817 0 1 FJAF C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338661 UJEARDVIQPHKTD-IRLDBZIGSA-N 366.363 4.945 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(C(F)(F)F)c1F)O2 587382783 SFEVEOHROGBYDU-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nc3ccc(Cl)cn13)CC2=O 587460453 IPNNPXBENRLJRZ-KRWDZBQOSA-N 370.836 4.661 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](/C(=C/N(C)C)c1ccc(C)cc1)CC2=O 587469309 NCISTYHQTSSTPH-PGPKDTDWSA-N 365.473 4.590 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCC(F)(F)CC1 587552511 AHMRQPNOLIVJBT-APWZRJJASA-N 360.356 4.548 0 1 FJAF CSC(=C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC 587615601 YUFBNKMUNWFFJM-APWZRJJASA-N 374.483 4.680 0 1 FJAF c1coc(CN2CCc3sccc3[C@@]2(c2ncc[nH]2)C2CCCCC2)c1 962709713 OFWWTKMUERFODZ-OAQYLSRUSA-N 367.518 4.946 0 1 FJAF COc1ccc2c(c1)[C@](c1cccc(F)c1)(c1ccnc(C)c1)N[C@H]1CC[C@@H]21 962996977 PSGJVCKZPIVEBX-XWGVYQGASA-N 374.459 4.679 0 1 FJAF CCNc1nc(NCc2cccnc2)c2sc(-c3ccccc3)cc2n1 1772570758 GPCSYXYTNQIIAJ-UHFFFAOYSA-N 361.474 4.797 0 1 FJAF CCCSc1nc(NC2CC2)c2nc(Nc3ccccc3)sc2n1 1772611921 CFQOYVJDHYBRKW-UHFFFAOYSA-N 357.508 4.906 0 1 FJAF Cc1c(O)cc(C=CC=CC=CC=Cc2[nH]ccc2Br)oc1=O 2356488733 YRKNYVNNZAWSJE-UHFFFAOYSA-N 374.234 4.583 0 1 FJAF CC[C@@H](O)[C@H](O)CC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356695994 FFXKPSNQCPNORO-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049864 GMBSMVWRQRTHDK-FYYLOGMGSA-N 372.468 4.848 0 1 FJAF CC(=O)c1[nH]c(Nc2ccc(C)cc2)c(C(=S)Nc2ccccc2)c1N 5930930 GEPQJIYVENTJRF-UHFFFAOYSA-N 364.474 4.639 0 1 FJAF C[C@]1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978460 PTLBIFOZYYQURA-MRXNPFEDSA-N 354.620 4.740 0 1 FJAF COC(=O)/C(=C\CC/C(=C\CCc1ccoc1)C(=O)OC)CCC=C(C)C 29042284 RHYBSUZKHZEFTF-GGUPLVMRSA-N 374.477 4.938 0 1 FJAF CCCCCn1c(CCc2ccccc2)nc2c(NCC3CC3)ncnc21 82185612 FVYAROSGVGWIOM-UHFFFAOYSA-N 363.509 4.624 0 1 FJAF c1ccc(-c2ncn(-c3ccc4ccccc4n3)n2)c(Nc2ccncc2)c1 89455704 GLGKCLVOGUJPBF-UHFFFAOYSA-N 364.412 4.621 0 1 FJAF CC(C)[C@@H](C(=O)NCc1ccc(CN)cc1)c1ccc(-c2ccccc2)cc1 95581993 KZBAGUJKIHPQRQ-XMMPIXPASA-N 372.512 4.868 0 1 FJAF Clc1ccc(Cl)c(Cn2c(CN3CCCC3)nc3ccccc32)c1 96285111 JRJZYMSLALSOJL-UHFFFAOYSA-N 360.288 4.987 0 1 FJAF O=C1NC(=O)/C(=C/c2ccc(OCC3CCCCC3)cc2Cl)S1 115793517 KIWPVNIZSHXAHA-NVNXTCNLSA-N 351.855 4.623 0 1 FJAF Cc1ccc2c(c1)nc(CCn1nc(C)c3cccnc31)n2-c1ccccc1 169349800 FBITZLCEEWLMQW-UHFFFAOYSA-N 367.456 4.630 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H](COCC2CCCCC2)[C@H]2CC[C@H]1O2 195137923 MCXWYACNYOTKNC-NECYKRBASA-N 350.499 4.578 0 1 FJAF C1=CCCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)OCC1 254134932 UHIXWXSSDNZPPY-UHFFFAOYSA-N 359.429 4.995 0 1 FJAF O=[S@@](CC[C@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299859981 ISFOFKJYSXPBPW-SBKAZYGRSA-N 362.225 4.530 0 1 FJAF C[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2)N1CCC(=O)O 473111823 BGWIRVUOHABHMB-LRTDBIEQSA-N 368.864 4.632 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(F)c(Br)c3[nH]2)cc1 586884757 AOLPODLQFCSWMM-QFYYESIMSA-N 363.230 4.610 0 1 FJAF FC1(F)Oc2cc3nc(C4(Cc5ccc(Cl)cc5)CC4)[nH]c3cc2O1 587074284 WFLDELWGLBTAOM-UHFFFAOYSA-N 362.763 4.812 0 1 FJAF Cc1nc2c(C)ccc3c2c(c1CC(C)(C)C(=O)O)-c1ccccc1C3=O 587101551 UYVPAMDNFRDEHT-UHFFFAOYSA-N 359.425 4.716 0 1 FJAF Cc1cc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2cc1F 587172107 VRVBNPHGGAUWFK-UHFFFAOYSA-N 369.346 4.605 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(C4(C(F)(F)F)CC4)cc1)[C@@H](C2)C3=O 587423423 YGRWOONNWSIOOV-KXBFYZLASA-N 374.358 4.778 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn3cc(C)cc(Cl)c3n1)CC2=O 587460187 HBUOWQRISIAWII-SFHVURJKSA-N 370.836 4.661 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC(F)(F)F)c1)CC2=O 587464578 TXJHXAKUIXPMAU-KRWDZBQOSA-N 366.335 4.950 0 1 FJAF O=C1C[C@@H](c2cccc(O)c2Br)Oc2c1ccc1c2CCCC1 587495682 FGENGZOZLQEZMV-KRWDZBQOSA-N 373.246 4.740 0 1 FJAF C[C@@]1(c2ccc3c(c2)OC(F)(F)O3)CC(=O)c2ccc3c(c2O1)CCCC3 587501342 BGZBQYXIDGATQW-FQEVSTJZSA-N 372.367 4.768 0 1 FJAF CCC[C@@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587767830 BGJSTDTWDMBBMM-KZULUSFZSA-N 363.274 4.561 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3ccccc23)N1 587774300 MDAZOWAPFHNXIV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1ccc(Cc2nnc(Nc3ccc(OC)cc3)c3ccccc23)cc1 653737646 NYPNJNGDWNGVBO-UHFFFAOYSA-N 371.440 4.981 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@@H]1C[C@@H]1c1ccc(Cl)cc1 963608647 LLQBLQQGQUBXGR-AUSRVFDOSA-N 357.881 4.736 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2ccc(O)cc2)cc1 1772597724 HCRUXWJAWJFAGF-LFIBNONCSA-N 372.468 4.676 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@@H]1Cc1cccc(O)c1 1857634546 ODPBZLHMNKLIHF-FQEVSTJZSA-N 358.437 4.611 0 1 FJAF CC(C)=C[C@H](O)CC(C)=CCOc1c2occc2cc2ccc(=O)oc12 2356429109 KIBSPHPOWGOQIS-KRWDZBQOSA-N 354.402 4.582 0 1 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 3977749 GPLGAQQQNWMVMM-NHHNSEPASA-N 356.598 4.810 0 1 FJAF CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@@H](CC)C1CC1 13487170 MOELLDVFCGIHRI-KRWDZBQOSA-N 350.466 4.734 0 1 FJAF O=C1c2c(O)cccc2C(SCCc2ccccc2)c2cccc(O)c21 13757275 NBMAFYDWMWOFFG-UHFFFAOYSA-N 362.450 4.708 0 1 FJAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)C1c2ccccc2-c2ccccc21 26651264 PVFCGXGQBWTWHW-HDICACEKSA-N 362.517 4.568 0 1 FJAF COc1ccc([C@@H](c2cccs2)c2ccccc2OCCN(C)C)cc1 29130933 KSOCFRYGXLPPFL-JOCHJYFZSA-N 367.514 4.877 0 1 FJAF COc1cc(OC)c(Nc2cc(C)nc3ccc4[nH]cnc4c23)cc1Cl 39214871 RHFHBWBMKGKMTG-UHFFFAOYSA-N 368.824 4.834 0 1 FJAF CC(C)(C)c1cccc(NC(=O)c2nscc2NCc2ccncc2)c1 40914951 ZMVIIRCGNJMLDL-UHFFFAOYSA-N 366.490 4.700 0 1 FJAF C[C@H](C(=O)NCCc1ccccc1O)c1cccc(Oc2ccccc2)c1 42988963 IWZTTYSBPBBIMY-KRWDZBQOSA-N 361.441 4.647 0 1 FJAF Cc1ccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)cc1 64503561 TVZIEQXHESEABR-UHFFFAOYSA-N 367.836 4.502 0 1 FJAF O=C1Oc2ccc3ccccc3c2C[C@@H]1C(=O)c1cccc2ccccc12 72172344 UGEFRBYPVXCPCK-OAQYLSRUSA-N 352.389 4.954 0 1 FJAF FC(F)(F)Oc1cccc(-c2nc3/c(=N/c4ccccc4)[nH]ccc3[nH]2)c1 82082357 YZIGVLWNYBBOJG-UHFFFAOYSA-N 370.334 4.689 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179737 WFNIMKJJMIGZCE-CQSZACIVSA-N 367.472 4.544 0 1 FJAF C=C1C(=O)O[C@H](CCCCCCCCCCCCC[C@@H](C)O)[C@@H]1C(=O)O 86036590 UYUDMGMNHAKPEV-BHIYHBOVSA-N 368.514 4.621 0 1 FJAF biogenic Cc1nc(N[C@H]2CCOc3ccccc32)cc(-c2ccc3ncsc3c2)n1 141911792 HINNGMMCGIRPDK-INIZCTEOSA-N 374.469 4.997 0 1 FJAF CC[C@H](C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 144675031 DXSNXUDENYDYMY-HNNXBMFYSA-N 362.433 4.541 0 1 FJAF Clc1ncc2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2[nH]1 587063055 LYQVQQCBMFNIFF-UHFFFAOYSA-N 355.228 4.869 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587084939 JOZNBRZQMDXWCT-UHFFFAOYSA-N 365.820 4.537 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cccc(O)c3[nH]2)c(F)c1 587144526 KJYNGCPFYFQSMY-UHFFFAOYSA-N 362.360 4.748 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2cccc(Br)c2[nH]1 587227936 DHZUUXNTNYTBRC-UHFFFAOYSA-N 374.282 4.687 0 1 FJAF CCOC1=C[C@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351454 MUWDGWJETIWWOH-UNMCSNQZSA-N 368.404 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3c(s1)CCCC3)CC2=O 587493257 CVPONBBSMASIEH-FQEVSTJZSA-N 357.475 4.561 0 1 FJAF O=C1C[C@@H](c2cncn2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587516432 SSPAOUWOFJNFMK-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)c(F)c1 587555532 GQFISRGCGQJPPT-OXQOHEQNSA-N 372.298 4.512 0 1 FJAF CC(C)COc1cccc(OCc2nc3cc(F)c(F)c(F)c3[nH]2)c1 587565604 FYAWHMOOIOQSRU-UHFFFAOYSA-N 350.340 4.594 0 1 FJAF C[C@]1([C@H]2C[C@H]3CC[C@@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600301 ALMVQCIJOIZAQT-LKSUOLRUSA-N 350.414 4.549 0 1 FJAF CCc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602692 LBOWDNGLILMGGN-OFNKIYASSA-N 360.409 4.966 0 1 FJAF C[C@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603226 ODRBVYWOWNXTRW-XLHILCRZSA-N 360.409 4.601 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CC(C)(C)CCC2=O)N1 587822675 LWKPTYMBWZSDTI-YOIRWDDOSA-N 368.290 4.559 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S)cc2)N1 587844345 NDDLAAMZJMQEBI-BTDLBPIBSA-N 366.299 4.675 0 1 FJAF CCCc1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587853340 QAQNQOJDSDWHCA-RFAUZJTJSA-N 369.303 4.621 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1c(Cl)cccc1Cl)N(C)[C@@H](C)C2 962616336 ACDKRRWKHHUMNC-WLRWDXFRSA-N 366.288 4.976 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cc(OC(F)(F)F)ccc1F 963114684 WDYYWTRCQHQCPO-FZKQIMNGSA-N 369.333 4.973 0 1 FJAF COc1ccc([C@](C)(O)c2nc(-c3cccs3)nc3ccccc23)cc1 1911571369 LVQHWPABTFZOLV-NRFANRHFSA-N 362.454 4.623 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc4ccncc4c3)oc2c1 1911572406 GDSCUSWZVZZQGW-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC(=O)OC[C@]1(C)CC[C@H](C(C)C)C=C[C@@](C)(O)CCC=C(C)CC1=O 2356519435 BHSGVCGSYDQSIG-BVSLBCMMSA-N 364.526 4.615 0 1 FJAF COc1cc(-c2cnc3cc(-c4ccncc4)ccc3c2)cc(OC)c1OC 2382258150 ZGGVZWZAZUBRKG-UHFFFAOYSA-N 372.424 4.990 0 1 FJAF COc1ccc(C(=O)Nc2ccccc2Cl)cc1OC(=O)C1CCCC1 13736974 UKBLMTYABCYIRG-UHFFFAOYSA-N 373.836 4.697 0 1 FJAF CNC(=N)Nc1ccc(OCc2ccccc2)c(-c2ccccc2OC)c1 28014551 JZGBZHJAQFSZDX-UHFFFAOYSA-N 361.445 4.507 0 1 FJAF C=C1NN(Cc2ccccc2)C(=O)N1c1ccc(OCc2ccccc2)cc1 36380767 JNDOIZJVUSXMEG-UHFFFAOYSA-N 371.440 4.684 0 1 FJAF O=C(Nc1ccc(-c2ccnc3nc[nH]c23)cc1)Nc1ccccc1Cl 73278943 OUJNTZAPROXXHI-UHFFFAOYSA-N 363.808 4.922 0 1 FJAF CC(C)Oc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1 84722561 LTZAOEYIDIFFHJ-UHFFFAOYSA-N 361.449 4.597 0 1 FJAF COc1cccc(CN(C)C(=O)c2cc(-c3cccc(OC)c3)cs2)c1 169351568 RTDIJKAOFMYEPV-UHFFFAOYSA-N 367.470 4.705 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)[C@H](C)c4ccccc43)CC2)CC1 261172688 UDIDJCCXFVDPEB-QRVBRYPASA-N 354.538 4.816 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 586906950 HWULILBMHMAGFW-SECBINFHSA-N 366.364 4.756 0 1 FJAF COc1cncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063651 RMHGDZHHBRXQQU-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1ccc(-c2cnn(Cc3nc4cc(Cl)c(Cl)cc4[nH]3)c2)cc1 587165000 HXFTVLXSURBLIF-UHFFFAOYSA-N 361.207 4.921 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@H]3[C@@H]1CCOC1 587209485 PYQMCDDILREHEF-CABCVRRESA-N 355.437 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OC(=O)c3ccccc3)c1)O2 587404815 ZRJLEGUTYBYMIY-OAQYLSRUSA-N 373.408 4.503 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cccc(F)c1)CC2=O 587469146 WYKMTLCASCVFJO-NRFANRHFSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(OC)ccc3n1)CC2=O 587486555 CPSHTUNBVKFKML-NRFANRHFSA-N 363.413 4.608 0 1 FJAF COc1ccc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Cl 587499070 ROPKDBMJBAMSTC-NRFANRHFSA-N 371.864 4.690 0 1 FJAF Cc1c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc(F)c1F 587714891 GJQKEVLRDWNFAQ-CQLKUDPESA-N 370.212 4.798 0 1 FJAF Cc1cccc2c1CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587818103 PVYOGCMEWMRBTI-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF Cc1cc(O)cc(C)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587833730 PARHBNXPGNPOMT-VOJFVSQTSA-N 364.258 4.534 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc3c(s2)CCCC3)N1 962939937 CIIJCVAVWYQPQP-ZSEKCTLFSA-N 351.519 4.691 0 1 FJAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@H](c2ccc(Cl)s2)C1 963129526 GFNZCOPKQDHQTG-HXPMCKFVSA-N 361.894 4.799 0 1 FJAF CC[C@H]1CCCCN1C(=O)n1cc(-c2ccc(-c3ccccc3)cc2)nn1 1772612605 MOAKLJWNGBAHTR-FQEVSTJZSA-N 360.461 4.845 0 1 FJAF Cc1ccc(NC(=O)[C@]2(C)CCN2Cc2csc3ccccc23)cc1 61930166 GXOXFKDMHUCIOS-NRFANRHFSA-N 350.487 4.813 0 3 FJAF Cc1cccc(-c2nc3/c(=N/c4ccc(F)c(Cl)c4)[nH]ccc3[nH]2)c1 74386259 OJXGHUATRFYXEA-UHFFFAOYSA-N 352.800 4.891 0 3 FJAF O=C(NCCc1c[nH]c2ccc(O)cc12)Oc1cccc(-c2ccccc2)c1 14979765 FQAMJVSKMMVDOK-UHFFFAOYSA-N 372.424 4.872 0 1 FJAF c1ccc(CC2CCN(CCCSc3nc4ccccc4[nH]3)CC2)cc1 27563697 WWSLKCMTKLTICP-UHFFFAOYSA-N 365.546 5.000 0 1 FJAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCc2ccc(F)cc2)n1 35878572 NBZNGXMNMKXPJD-UHFFFAOYSA-N 371.795 4.742 0 1 FJAF O=c1cc(COc2ccc(Br)cc2)c2cc(Cl)ccc2[nH]1 40949257 OKEVDEXBACQWAT-UHFFFAOYSA-N 364.626 4.523 0 1 FJAF FC(F)(F)c1ccc(-c2cn(Cc3ccccc3)c3c2CNCC3)cc1 66112002 KITFKDHTXXEJFK-UHFFFAOYSA-N 356.391 4.868 0 1 FJAF O=C(O)C1=Cc2c(ccc(Cl)c2Oc2ccccc2)O[C@H]1C(F)(F)F 66260038 HVQDIKGNRQZLDX-OAHLLOKOSA-N 370.710 4.924 0 1 FJAF COc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2c2sccc12 84596978 YCYQZQOOPFPJAO-UHFFFAOYSA-N 373.441 4.987 0 1 FJAF c1ccc(-n2cnc3ccc(OCc4ccc5ccccc5n4)nc32)cc1 103247865 GMUTURIEUQLYFE-UHFFFAOYSA-N 352.397 4.548 0 1 FJAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1cccc2ccccc12 167776823 ONKKMUJQKJZJPD-LJQANCHMSA-N 361.441 4.721 0 1 FJAF COc1cc(/C=C\c2nc3ccc(F)c(F)c3[nH]2)ccc1Br 586978158 YGESLWANWYHKNF-CLTKARDFSA-N 365.177 4.783 0 1 FJAF Cc1cccc(-c2ccc(Cl)cc2)c1-c1nc2cccc(C(N)=O)c2[nH]1 587073522 GNGARGPDGMKSSN-UHFFFAOYSA-N 361.832 4.958 0 1 FJAF COc1cccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587191194 RRPBJPHOOYIFST-GOSISDBHSA-N 367.449 4.528 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCc4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587447165 MLFCVGSKQVGTHB-YADARESESA-N 362.469 4.972 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccs4)s1)[C@@H](C2)C3=O 587453156 VDNLNRQTRQJTIZ-HXPMCKFVSA-N 354.452 4.974 0 1 FJAF O=C1C[C@@H](c2cn3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 587498526 IVJQVNYBTSBCCW-SFHVURJKSA-N 352.821 4.573 0 1 FJAF CC(C)(C)Oc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514812 KEDYHTSABLYXHP-LJQANCHMSA-N 351.446 4.844 0 1 FJAF CCOC(=O)[C@@H](CC)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521445 CWTVEJYAYVZNFA-GCJKJVERSA-N 358.478 4.515 0 1 FJAF CCOC(=O)[C@H]1CCCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524371 NCGFXRCHQRHWCX-XXBNENTESA-N 370.489 4.803 0 1 FJAF O=C1C[C@H](c2c(Cl)nc3sccn23)Oc2c1ccc1c2CCCC1 587537524 GZWRGHRHQIBQJG-CQSZACIVSA-N 358.850 4.635 0 1 FJAF CC1=C[C@H](C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604619 XKVWKQCSZLIULU-HCMZEVFOSA-N 350.414 4.715 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(OC)c2F)[nH]c2cccc(F)c12 587634347 VLKBZLGJAMYQCU-UHFFFAOYSA-N 367.298 4.577 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587848342 NUHILTINQNZHMF-ABKXIKBNSA-N 354.288 4.756 0 1 FJAF COc1cccc([C@H](C)Cc2nc3ccc(Br)c(F)c3[nH]2)c1 587929569 BXAJJXGDJWZZOO-SNVBAGLBSA-N 363.230 4.819 0 1 FJAF Cc1c(F)ccc2c1[C@@H](c1cccc(-c3ccc(F)cc3F)n1)NCC2 962149370 VQHCOEVQLCYHMM-OAQYLSRUSA-N 354.375 4.709 0 1 FJAF CCCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cccc(F)c2)o1 1772570190 ZVRSZDSIBDXBFQ-UHFFFAOYSA-N 366.318 4.986 0 1 FJAF C[C@@H](c1ccccc1)n1nnc2cnc3ccc(-c4ccc(N)cc4)cc3c21 1857554301 MNJGBILHXWEGON-HNNXBMFYSA-N 365.440 4.838 0 1 FJAF CN(C)c1cc2[nH]c(C3CCCC3)nc2cc1NC(=O)c1ccc(F)cc1 2382242138 MSZLCIXFZZNCLH-UHFFFAOYSA-N 366.440 4.678 0 1 FJAF COc1ccc(-c2c(O)cc3c(oc4ccc(O)c(OC)c43)c2OC)cc1 35858829 BXHDIDRYYPPYIM-UHFFFAOYSA-N 366.369 4.690 0 1 FJAF biogenic CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179357 CNFLNJLMVZSTMH-OAHLLOKOSA-N 351.498 4.916 0 1 FJAF O[C@H](COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1F 84729879 GFFGDWBKHQNLHB-LJQANCHMSA-N 368.473 4.949 0 1 FJAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@H](C(=O)SCC)[C@@H]1CC 169721244 JYPJHRNDZDLFTD-DOTOQJQBSA-N 373.518 4.748 0 1 FJAF CCOc1ccc(NCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 473146008 CFHHJJOXQBVYQH-KRWDZBQOSA-N 352.478 4.712 0 1 FJAF Fc1cc(Br)cc2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885284 LVPHTTQSEWWNCI-SCLBCKFNSA-N 357.226 4.836 0 1 FJAF FC(F)(F)Oc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587036692 JVOAJXOVKFMNBO-CYBMUJFWSA-N 356.394 4.902 0 1 FJAF CCCCc1c(C(=O)OCC)nc2cccc3c2c1-c1ccccc1C3=O 587105950 HQPWXTHSNQKRDP-UHFFFAOYSA-N 359.425 4.966 0 1 FJAF O=NCc1ccc(-c2nc3c(F)c(F)c(Br)cc3[nH]2)cc1 587190080 JAKFFQKWRQAMKP-UHFFFAOYSA-N 352.138 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)ccc1C)[C@@H](C2)C3=O 587431304 NMOOMJYLEKQAKY-SBUREZEXSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cc(OC)ccc13)CC2=O 587482703 JWTAELAEHYCBBG-FQEVSTJZSA-N 351.402 4.541 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)CCCO3)CC2=O 587493620 UPBWWBGNIMWXOC-HSZRJFAPSA-N 366.457 4.940 0 1 FJAF O=C1C[C@@H](Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587496229 HSYBWENKCVQJDU-MRXNPFEDSA-N 371.274 4.904 0 1 FJAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587530087 AVJHKNCYDKIWLX-QHCPKHFHSA-N 364.441 4.693 0 1 FJAF C[C@@H]1CC(C)(C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603325 MCVVNESTDHPZFC-GHNFSYLKSA-N 352.430 4.939 0 1 FJAF O=C(O)Cc1c(-c2cc(Cl)ccc2O)[nH]c2cc(Cl)c(F)cc12 587628512 MXGXRWAUOCXYKV-UHFFFAOYSA-N 354.164 4.614 0 1 FJAF CCOc1ccccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587803537 WZKRHAMTVVMDGS-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccs2)N1 587849577 AZMFQOOKPFBDFK-MGPLVRAMSA-N 354.288 4.642 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)cc1C 587867714 CLJXSWPNYAZELV-UHFFFAOYSA-N 367.758 4.924 0 1 FJAF CCSc1cc(N2C[C@H](C)O[C@H](C)C2)nc(-c2ccccc2Cl)n1 18042922 RWIWHLCQBPJWNF-BETUJISGSA-N 363.914 4.523 0 3 FJAF CCCOC(=O)N(C(=S)O[C@H](C)COc1ccccc1)c1ccccc1 3648391 PWIAJRQFJAZYIK-MRXNPFEDSA-N 373.474 4.809 0 1 FJAF COc1ccc(OCCCCCCc2c(C)nn(C)c2C)c(Cl)c1 27763843 BUPKTWDGZWFTMX-UHFFFAOYSA-N 350.890 4.881 0 1 FJAF Nc1nc2c(c3ccccc13)[C@@H](c1ccc3c(c1)OCO3)Cc1ccccc1-2 28465471 PTDNYUYZIKJQHD-LJQANCHMSA-N 366.420 4.901 0 1 FJAF COC(=O)c1ccc(Cl)cc1NC(=O)c1c(Cl)cccc1Cl 40893137 OIWZYILKWMQQMV-UHFFFAOYSA-N 358.608 4.686 0 1 FJAF Cc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Cl)cc1 43019878 JMQFGHSQMXWURT-UHFFFAOYSA-N 357.866 4.565 0 1 FJAF CCOC(=O)C[C@H](C)Nc1cc(-c2cccc(-c3ccccc3)c2)ncn1 82161083 OITGGDKNKFFGDK-INIZCTEOSA-N 361.445 4.564 0 1 FJAF CC1=Nc2ncnn2[C@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 104115798 BNCPJRIRSTZVOF-GROYHEBESA-N 372.856 4.746 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586886100 DTQXGMRHAMENLV-MEDUHNTESA-N 350.340 4.607 0 1 FJAF Cc1ccc(SCc2nc3ccc(Br)c(O)c3[nH]2)c(C)c1 586963813 QQVDBQZCYZUIDF-UHFFFAOYSA-N 363.280 4.940 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)cnc2[nH]1 587035537 XVPSQEGBQDOAEW-CYBMUJFWSA-N 368.437 4.583 0 1 FJAF CN(C)C(=O)c1ccc2nc(/C=C/c3cccc(Cl)c3Cl)[nH]c2c1 587053995 JYDRQJIPOTUJTB-VQHVLOKHSA-N 360.244 4.742 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587061173 BWGSFRRBDFAWJR-MRXNPFEDSA-N 355.825 4.631 0 1 FJAF CCOC(=O)c1ccc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2c1 587068865 DXHBUSFRFYSWFW-LBPRGKRZSA-N 370.836 4.770 0 1 FJAF Fc1cccc(-c2nc3cc(Br)cnc3[nH]2)c1C(F)(F)F 587097837 OCDBRPPNCQBSDJ-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(=O)CC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350828 FNIQKSUSOAAGFS-UNMCSNQZSA-N 370.420 4.654 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nc3ccc(Cl)cn13)CC2=O 587460454 IPNNPXBENRLJRZ-QGZVFWFLSA-N 370.836 4.661 0 1 FJAF CC(C)c1ccc2c(c1)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587521522 CHOIFWGZAVEITC-HSZRJFAPSA-N 361.441 4.502 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ncccc23)N1 587777001 FJTYGJUDSVISNJ-NSPYISDASA-N 371.253 4.760 0 1 FJAF CSc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587849820 WBYIRHAZNLHMQT-GLEZIHRCSA-N 372.328 4.995 0 1 FJAF CCCCNC(=S)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587859489 JPWSLPWJGJAYHO-UHFFFAOYSA-N 372.321 4.778 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)c(F)c(F)c1 587860634 AGPROQPCLOANCH-UHFFFAOYSA-N 372.268 4.984 0 1 FJAF Cc1c([C@@]2(C)NCCc3c(C(=O)O)cccc32)oc2ccc(Cl)cc12 963128137 ZWLBLNPAYGYEMN-FQEVSTJZSA-N 355.821 4.502 0 1 FJAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(F)c2)c1 1857629153 ZLYDRNRRYYLPDZ-UHFFFAOYSA-N 353.349 4.585 0 1 FJAF C[C@@H](NC(=S)NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 1857638265 HAFMXXWPTIYMDX-ZQKBVBCCSA-N 372.622 4.880 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@@]32CN1C 2356770264 FXXHLWMDAHXVCT-DRJVDFPKSA-N 356.598 4.810 0 1 FJAF C=CC(=O)Nc1cccc(Oc2ncnc3ccc(-c4cccnc4)cc23)c1 2382225493 VKWMFUBUTSDBMQ-UHFFFAOYSA-N 368.396 4.609 0 1 FJAF C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C=O)cn2C 2382228764 RSKJJQJVRAZYCZ-UHFFFAOYSA-N 354.500 4.891 0 1 FJAF CCO[C@H]1CCCc2oc(-c3ccsc3)c(-c3cnc(OC)nc3)c21 95605761 OHWZTKNRLLJYAY-AWEZNQCLSA-N 356.447 4.888 0 3 FJAF O=C1c2cc3c(cc2CC12Cc1cc4c(cc1C2=O)CCCC4)CCCC3 1645343 VKMWHPCYDCLWQX-UHFFFAOYSA-N 356.465 4.608 0 1 FJAF Fc1ccc([C@H]2C[C@H](N3CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1 28014428 HZGOJAUJCZDFAZ-GGAORHGYSA-N 368.471 4.569 0 1 FJAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1-c1cccnc1 28528203 HBDCNILCSISVQF-RSKVWTTASA-N 371.484 4.747 0 1 FJAF Fc1ccc(CN[C@H]2CC[C@@H](C(c3ccccc3)c3ccccc3)NC2)cc1 38289027 KQGGYEZSINLKFH-ZEQRLZLVSA-N 374.503 4.868 0 1 FJAF Cc1sc(-c2ccccc2)nc1CC(=O)NCc1ccc(F)cc1Cl 49070728 MTGIJZPJAVZPEY-UHFFFAOYSA-N 374.868 4.770 0 1 FJAF CC(C)NCc1nc2ccc(Cl)cc2c(-c2ccccc2)c1C(=O)O 72113086 FUXBESXPGCDFIW-UHFFFAOYSA-N 354.837 4.751 0 1 FJAF CC[C@H]1CC[C@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2ccco2)C1 82142610 MTSFAZQUXASQPT-JYJNAYRXSA-N 370.497 4.598 0 1 FJAF O=C(O)CC1=C/C(=C\c2cnc(-c3ccccc3)nc2)c2ccc(F)cc21 84724480 PSYLLWIJLNWNNE-LZYBPNLTSA-N 358.372 4.695 0 1 FJAF Cc1ccc(Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)cc1 145784433 SGQGYJCVMKBOOV-UHFFFAOYSA-N 366.505 4.826 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 299820348 MLZFGDUUCSXZHX-CCDNWQPMSA-N 371.565 4.857 0 1 FJAF O=C(c1nc2c(F)c(F)c(F)cc2[nH]1)c1c(Cl)ccc(F)c1Cl 587132876 JVLUWERLEPZXIF-UHFFFAOYSA-N 363.097 4.657 0 1 FJAF c1ccc(CN2C[C@H]3CCCc4c(nc5cccc6c5c4CC6)[C@@H]3C2)cc1 587212669 PYNOOMJMQIJDIW-DENIHFKCSA-N 354.497 4.885 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4c(C)ccc(C)c4[nH]3)c2)c1 587232145 LIPVQNQATMKGDT-UHFFFAOYSA-N 369.468 4.797 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(C=COc3ccccc32)[C@@H]1c1ccc(F)cc1 587357306 MTIONBOHCZDPNQ-FYYLOGMGSA-N 374.367 4.692 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2ccccc2-c2ccnc(Cl)c21 587380620 WTVPCGIUZYXCAX-NRFANRHFSA-N 362.816 4.515 0 1 FJAF CCCCC[C@@]1(c2ccc(N)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587431833 HTBAICXWNINIAA-GCJKJVERSA-N 351.446 4.501 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC(=O)OCC)(C1CCCCC1)CC2=O 587479662 IXBVZDOVEAPVDU-QFIPXVFZSA-N 374.477 4.582 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1csc3cnc(Cl)nc13)CC2=O 587494661 LMHIDKKFEGETJZ-CQSZACIVSA-N 374.849 4.709 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822560 LGSWSSGHTQAGQO-ASNKJTAVSA-N 374.297 4.948 0 1 FJAF C[C@H]1CCc2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)sc2C1 587875158 AWYSCJIPBQCHQN-JTQLQIEISA-N 354.406 4.670 0 1 FJAF Nc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cc1N 587957519 MNWNVVQYMROWPF-UHFFFAOYSA-N 360.502 4.646 0 1 FJAF COc1cc2c(c(O)c1CC=C(C)C)C(=O)C[C@@](C)(c1ccccc1)O2 685935578 KRHAIYZCWJYTDS-QFIPXVFZSA-N 352.430 4.790 0 1 FJAF biogenic,in-vitro CCOC(=O)c1oc2cccc(OCCCCCNC(C)(C)C)c2c1C 6403598 JGZDVTYUYRFWCS-UHFFFAOYSA-N 361.482 4.855 0 1 FJAF Cc1ccc(Cn2c(C)c(CN[C@H]3CCCC[C@H]3C)c(C(=O)O)c2C)cc1 6806731 OVYSVTDQIORIII-IERDGZPVSA-N 368.521 4.828 0 1 FJAF COc1cccc2c1-c1ccc3c(c1[C@@H](CCO)O2)C(C)=CC(C)(C)N3 13470759 FYMNMBTVULTQNM-GOSISDBHSA-N 351.446 4.786 0 1 FJAF CCCCCCOc1cccc(CCNC(=S)Nc2nccs2)c1 13744925 JBJMJOZCKSQFNY-UHFFFAOYSA-N 363.552 4.631 0 1 FJAF COc1cc2ccnc(Nc3cccc(Br)c3)c2cc1OC 13800946 GDIBCOMUCICBBZ-UHFFFAOYSA-N 359.223 4.758 0 1 FJAF CC(C)(Cc1cccc(Oc2cccc(CC(C)(C)C(=O)O)c2)c1)C(=O)O 28459220 OFBNQUCEWPPVMC-UHFFFAOYSA-N 370.445 4.786 0 1 FJAF COc1ccc(/C(C)=C/C=C/C(=O)N[C@H](C)CCCc2cccnc2)cc1 29484563 UCZLAFFRAYATTD-STCGNDQFSA-N 364.489 4.577 0 1 FJAF CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(O)c(F)ccc2c1 34891984 DXZJFGPBCFHUHI-UHFFFAOYSA-N 366.348 4.746 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CC[C@@H](Cc3ccccc3)C2)c1Cl 40899189 AULZAOYATYMWMK-KRWDZBQOSA-N 364.880 4.569 0 1 FJAF CN(C)CC[C@@H](O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 45302206 KWWVFVUAQBXNGB-GOSISDBHSA-N 350.289 4.738 0 1 FJAF O=c1cc(Cc2ccccc2)nc(SCc2ccc3ccccc3c2)[nH]1 49050978 ZUWISMNHGPPUFP-UHFFFAOYSA-N 358.466 4.806 0 1 FJAF COc1ccc(Nc2nc(-c3cccc(Cl)c3)cn3ccnc23)cc1 64541058 DBFBOIICIWSVRE-UHFFFAOYSA-N 350.809 4.802 0 1 FJAF CC(C)(Oc1ccccc1)C(=O)Nc1nnc(-c2ccc3ccccc3c2)o1 66114194 ORNSHEDFMSUXAY-UHFFFAOYSA-N 373.412 4.686 0 1 FJAF CCCNc1cnn(C2CC(C)(C)CC(C)(C)C2)c(=O)c1Br 72315999 VJPAJSIYCZSRFM-UHFFFAOYSA-N 370.335 4.605 0 1 FJAF COc1ccc(Nc2ncnc3c2sc2cc(OC)ccc23)c(F)c1 95597379 PZBGETXKTIOCSO-UHFFFAOYSA-N 355.394 4.744 0 1 FJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@@H]1c1ccc(Cl)cc1 103543631 QSYKLVXEQJSDAF-XMGGNUPJSA-N 363.841 4.541 0 1 FJAF C=C(C)[C@H]1CC/C(C)=C/CC[C@@H](C)C(=O)CC/C(COC(C)=O)=C\[C@@H]1O 169296605 DQDFFUHFUMDNQS-AZUUJPGESA-N 362.510 4.535 0 1 FJAF Nc1ccc(-c2ccc3nc([C@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1N 586883899 MRPAJYKMLVIGCS-DSFVOBFGSA-N 358.489 4.862 0 1 FJAF Sc1nc(S)c2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587048833 YXGOEPHXEMPVPQ-WDSKDSINSA-N 369.302 4.508 0 1 FJAF COc1cccc(-c2ccc(-c3nc4ccnc(OC)c4[nH]3)c(Cl)c2)c1 587052021 JZAHTGOAWQZMQG-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083714 HSAGFWYAFQDHFK-SFHVURJKSA-N 363.808 4.669 0 1 FJAF COC(=O)C[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096263 BTQNIQZBEABKAQ-AWEZNQCLSA-N 371.436 4.738 0 1 FJAF Cc1cc(F)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168467 XENUYFFQFSXQAZ-INIZCTEOSA-N 356.376 4.519 0 1 FJAF N=c1cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc2[nH]1 587253191 CCCRTSVJYGCOST-UHFFFAOYSA-N 366.424 4.770 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(c3ccccc3C)CC1)CC2=O 587474796 JVXMKXIUGMHRMV-UHFFFAOYSA-N 365.473 4.658 0 1 FJAF CCCCc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]1 587496278 AZSQTSYDJNLNPD-INIZCTEOSA-N 358.869 4.991 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccccc2n1 587584490 AMAOXVXWZDQIRG-REWPJTCUSA-N 369.376 4.643 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(O)c2)N1 587691989 JGCFIXJNCZKPIP-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(F)cc2F)N1 587719598 LJKVINMBUWIVIL-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF CCOc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803527 WXXSKMYMFPXPPD-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF COC(=O)c1cccc2nc(-c3cccc(-c4ccc(OC)cc4)c3)[nH]c12 587936621 WLKFBGYTKSGVCW-UHFFFAOYSA-N 358.397 4.692 0 1 FJAF C[C@]1(c2ncc(Cl)s2)NC2(CC2)Cc2ccc(Br)cc21 961324666 MYKPLNOTRHTHKE-AWEZNQCLSA-N 369.715 4.501 0 1 FJAF Cc1cc(F)cc([C@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961617846 XBUFITBYYZLAHB-SFHVURJKSA-N 360.270 4.838 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1cc(-c3ccccc3)co1)N(C)[C@@H](C)C2 962619832 GTXHVMDNOWAPRD-NPMXOYFQSA-N 363.457 4.930 0 1 FJAF FC(F)(F)[C@@]1(C2=COCCC2)c2ccsc2CCN1Cc1ccco1 962720261 ZLSZWEXKGBSQHP-QGZVFWFLSA-N 369.408 4.851 0 1 FJAF c1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1 1772599641 VVXFXVFJMAGVLA-UHFFFAOYSA-N 368.425 4.574 0 1 FJAF COc1ccc([C@H]2c3ccc(OC)cc3O[C@@H]2c2cccc(OC)c2)cc1 1857744424 UPMSWICUWCTLQT-XZOQPEGZSA-N 362.425 4.978 0 1 FJAF O=C1C[C@@H](c2ccccc2)Cc2nc3ccc(Br)cc3cc21 1911579059 GITGFNRQQDTFHH-ZDUSSCGKSA-N 352.231 4.910 0 1 FJAF COc1ccc2c(c1)OC[C@@H]1c3ccc(OCc4ccccc4)cc3O[C@@H]21 6484859 HJOWUMBTYPBLOG-OFNKIYASSA-N 360.409 4.884 0 1 FJAF CCOP(=O)(OCC)[C@H](CCCCc1ccc(OC)cc1)C(C)=O 27752894 WCQPPVLANBMAAW-GOSISDBHSA-N 356.399 4.632 0 1 FJAF CCOc1ccc2[nH]cc(Sc3cc(OC)c(OC)c(OC)c3)c2c1 28651334 NAFWBUDQTSQJQT-UHFFFAOYSA-N 359.447 4.744 0 1 FJAF O=C(Nc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CCNCC2 45231289 REFZIMSLNKXACY-UHFFFAOYSA-N 357.457 4.686 0 1 FJAF CN(C)CCCNc1ccc(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cc1 64549576 ZRXYICKCMRZHBU-PMACEKPBSA-N 356.897 4.690 0 1 FJAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccc(F)cc3)c2F)cn1 212178951 LPUBHNUDXWQHAV-UHFFFAOYSA-N 367.399 4.851 0 1 FJAF C[C@@H](NC(=O)Nc1cc2[nH]nc(C3CCC3)c2cn1)c1ccc(Cl)cc1 261150515 OVFLCMMERIXVPR-LLVKDONJSA-N 369.856 4.762 0 1 FJAF Brc1cccc(OCCOc2ccc(-n3cccc3)cc2)c1 473136301 POXLIAJNBZLAIA-UHFFFAOYSA-N 358.235 4.698 0 1 FJAF CCc1ccc(-c2nc3cc(OC)cc(OC)c3[nH]2)cc1Br 586977395 MZJFHBNJDRYWLD-UHFFFAOYSA-N 361.239 4.572 0 1 FJAF Cc1c(-c2ccc(O)cc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991033 KKVXFUIYXBRZQW-UHFFFAOYSA-N 369.376 4.538 0 1 FJAF Cc1ccc(C)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc12 587020336 NTULRNIOQJZCKL-UHFFFAOYSA-N 358.467 4.574 0 1 FJAF Fc1cc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2cc1-n1cccn1 587085308 RVQZXRAVXQKRHJ-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF Fc1ccc(/C=C/c2nc3cc(Br)c(F)cc3[nH]2)c(F)c1 587148282 HQTAWYUICLORBY-DUXPYHPUSA-N 353.141 4.913 0 1 FJAF Cc1nc2cccc3c2c(c1Cc1c(C)[nH]c2c(C)cccc2c1=O)CC3 587211306 CPLBHWISHLYBNA-UHFFFAOYSA-N 354.453 4.691 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1cccnc1)CC2=O 587488794 KAMCHXUIJKPQIS-DEOSSOPVSA-N 373.452 4.957 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1)(c1ccccn1)CC2=O 587489744 WAWFSPAHEYMNSX-DEOSSOPVSA-N 373.452 4.843 0 1 FJAF O=C1C[C@H](c2cnc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587507753 OCFFQTFFSSKBHJ-CYBMUJFWSA-N 353.365 4.747 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2[nH]ccc2c1 587592909 ZFBJLTSRPQHORF-DENIHFKCSA-N 357.365 4.576 0 1 FJAF Cc1ccccc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604366 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Nc1ccc2sc(NC(=O)c3sc4cc(N)ccc4c3Cl)nc2c1 2382223996 JGGMPQMJCRUMDM-UHFFFAOYSA-N 374.878 4.581 0 1 FJAF c1ccc2c(c1)CN(C[C@H]1C[C@H]3c4ccccc4Cc4ccccc4N3O1)C2 13437042 XKZZKFWMYWZWDI-RDGATRHJSA-N 368.480 4.858 0 1 FJAF CN(CC[C@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)CC(=O)O 26150180 APNYNODJCWEDNP-KRWDZBQOSA-N 368.260 4.520 0 1 FJAF CN(C)CC[C@@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 28654036 MNXBCQXRSCUKID-HSZRJFAPSA-N 360.501 4.582 0 1 FJAF COC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3n2C)c1 29232094 HHMQPYRMRYFKEV-UHFFFAOYSA-N 350.205 4.725 0 1 FJAF Cc1cc(Nc2n[nH]c3ncc(F)cc23)nc(-c2ccccc2Cl)c1 43199867 QAFFAZAVQKPMKM-UHFFFAOYSA-N 353.788 4.864 0 1 FJAF CCCCCNC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc2c1=O 49047125 RRIBWKOQEPBJCD-UHFFFAOYSA-N 367.424 4.646 0 1 FJAF CCc1c(O)nc(SCC(=O)c2ccccc2)nc1CC1CCCCC1 66102072 MARXABCGRLTHJC-UHFFFAOYSA-N 370.518 4.842 0 1 FJAF CCN(CC)CCS[C@H](N=O)c1nc(-c2cccc3ccccc23)no1 169713439 RCIIRWCCFRILKB-IBGZPJMESA-N 370.478 4.730 0 1 FJAF COc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587030679 IYYDUOJERFRBNA-LBPRGKRZSA-N 364.474 4.926 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2ccnc(Br)c2[nH]1 587051447 XLJMPDPTSGWLDY-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF Clc1ccccc1CCc1nc2c(Br)cnc(Cl)c2[nH]1 587058607 HLDPVQGMZPVKGC-UHFFFAOYSA-N 371.065 4.812 0 1 FJAF CCCc1c(CC(=O)OCC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098974 WIQUODVZYRFNSK-UHFFFAOYSA-N 373.452 4.813 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCc4ccccc4)cc1)[C@@H](C2)C3=O 587444392 STMPIHWAPFRSQQ-RDPSFJRHSA-N 372.420 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)cc(F)cc1F)CC2=O 587467221 RNWHWSXWHCYTNS-LJQANCHMSA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1C1CCOCC1)CC2=O 587486490 LJAZGXDOGROUDZ-QFIPXVFZSA-N 366.457 4.945 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1O)CC2=O 587492989 ZWAZEZWXLXRVTH-DEOSSOPVSA-N 374.436 4.959 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2N=O 587505420 MALGNQQUAFEIHQ-UHVFKWDWSA-N 353.462 4.861 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ccccc23)N1 587777149 FNAXFQADWFNMNO-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cc[nH]c23)N1 587802512 MGOHAAYKBHIWDG-NSPYISDASA-N 373.269 4.867 0 1 FJAF CC[C@@]1(Cc2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826625 FSJAWJVBSKDYPG-GTNSWQLSSA-N 352.247 4.563 0 1 FJAF COc1ccc(OC)c2sc(-n3nc4cc3Oc3ccc(F)cc3-4)nc12 587876663 SUEOZFSLAGNROS-UHFFFAOYSA-N 369.377 4.411 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 653721470 IWJRDPWZVOOBCD-UHFFFAOYSA-N 354.793 4.746 0 1 FJAF Brc1ccc2c(c1)C(NOCC1CCCCC1)=CCCO2 957575764 VYOUFUPQWSARKI-UHFFFAOYSA-N 352.272 4.674 0 1 FJAF COc1ccc2c(c1OC)[C@H](c1cnc(C3CCCC3)s1)N(C)[C@H](C)C2 962639233 VNQRZAITEUHEHY-YJYMSZOUSA-N 372.534 4.784 0 1 FJAF COc1ccc2cc(C(=O)CN3CCC(Cc4ccccc4)CC3)ccc2c1 1857538470 CAEPNNFVPAHHSF-UHFFFAOYSA-N 373.496 4.986 0 1 FJAF O=C(Nc1cncc(-c2cc(-c3cccnc3)cs2)c1)c1ccncc1 1857654853 CKLKQFIQIDJSIN-UHFFFAOYSA-N 358.426 4.519 0 1 FJAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@@H](O)CCCO)CC1 2356349541 HLBPUFFLXMVORW-ANULTFPQSA-N 368.558 4.934 0 1 FJAF CC(=CCCc1ccoc1)CC(=O)C[C@]1(C)CC[C@@H]([C@@]2(C)CCC(=O)O2)O1 2356450081 HSIIPIZSJWLXTE-ILWGZMRPSA-N 374.477 4.541 0 1 FJAF COc1c(C)cc([C@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1C 61928202 DRTVMUROLRTCDU-NRFANRHFSA-N 358.441 4.937 0 3 FJAF CCc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)NC)cc1 28220842 SSYUQVBLVMOERU-UHFFFAOYSA-N 359.495 4.612 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28528777 YWKNRYHANZDVCM-GNXKAVGDSA-N 350.506 4.815 0 1 FJAF O=C(Nc1ccc(Oc2cccnc2Cl)nc1)c1c[nH]c2ccccc12 40933686 SMRGPXRMTZVWME-UHFFFAOYSA-N 364.792 4.656 0 1 FJAF COc1cc2c(cc1OC)-c1[nH]nc(-c3cccc(-c4cccnc4)c3)c1C2 43015616 QCRWSRHBUBCGNF-UHFFFAOYSA-N 369.424 4.727 0 1 FJAF Cc1cc(NC(=O)CC2CCCC2)ccc1N1CC[C@@H](N2CCC[C@@H]2C)C1 59262442 YYOJXELLFPQIHG-GHTZIAJQSA-N 369.553 4.577 0 1 FJAF CC(C)(C)c1ccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)cc1 103226072 RPKYXCHZWRQDFG-UHFFFAOYSA-N 361.489 4.949 0 1 FJAF Cc1cnc2cc(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nn12 114025762 HFQKDOVPYOASSG-UHFFFAOYSA-N 354.457 4.710 0 1 FJAF CN1[C@H]2C=C(c3c[nH]c4ccc(NC(=N)c5cccs5)cc34)C[C@H]1CC2 115284848 QDCUCJYGMXHDLJ-HZPDHXFCSA-N 362.502 4.917 0 1 FJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2c(N)ccnc2[nH]1 586981415 BSUIYMHMIMTCJB-CYBMUJFWSA-N 373.298 4.675 0 1 FJAF COc1ccc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986816 OSMCCORADGIBDY-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Fc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2c(F)c1F 587029300 NGIPTEINLVBZNJ-UHFFFAOYSA-N 361.348 4.683 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](c1ccccc1)c1ccc(F)cc1)O2 587386263 XENJQDCCDHLDSU-FGZHOGPDSA-N 361.416 4.882 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1coc3ccc(OC)cc13)CC2=O 587477165 DMBKSSUUEUKGQB-JOCHJYFZSA-N 366.413 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3c(C)cccc31)CC2=O 587494683 ZPUDLMXOEHXLCZ-JOCHJYFZSA-N 352.430 4.686 0 1 FJAF O=C1C[C@H](c2cc(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587505567 LXEYPUNYTWWPJU-OAHLLOKOSA-N 350.311 4.828 0 1 FJAF O=C1C[C@H](C(=O)c2ccc3ccccc3c2)Oc2c1ccc1c2CCCC1 587523403 LROTWFBCKADDKP-JOCHJYFZSA-N 356.421 4.935 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1C 587524350 MEPROCJMGXIHFT-FQEVSTJZSA-N 352.430 4.598 0 1 FJAF CC1(C)C([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1(C)C 587600751 CFXIWIWECCKULG-AOMKIAJQSA-N 352.430 4.795 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CC(c1ccccc1)C2 587600911 BYCSFVYNRCDELG-UKAYHFCDSA-N 358.393 4.670 0 1 FJAF CC[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601486 GMJJRSATHMAKCC-NFBKMPQASA-N 360.409 4.968 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccccc3OC)c2c1 587642535 MGLCLFIHVSVBTC-CQSZACIVSA-N 350.462 4.928 0 1 FJAF Cc1csc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587845278 DGTWIKWWRJQSQI-QLJPJBMISA-N 354.288 4.756 0 1 FJAF O=C(Cc1ccccc1Br)n1nc2cc1Oc1ccc(F)cc1-2 587872089 GVKCPUCETKEVFC-UHFFFAOYSA-N 373.181 4.440 0 1 FJAF COc1ccc(CCCc2nc3ccc(OC(C)C)cc3[nH]2)c(OC)c1 587929081 POMTWKBGVVZYHV-UHFFFAOYSA-N 354.450 4.543 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccnc(Br)c2[nH]1 587952475 RQJWDBHHYNIVTC-MDZLAQPJSA-N 352.276 4.767 0 1 FJAF Cc1c(F)ccc2c1[C@@](C)(c1cnc(-c3ccc(F)cc3)s1)NCC2 962088127 CPWHQGUBZIPNTM-HXUWFJFHSA-N 356.441 4.806 0 1 FJAF CC(=O)N(CCc1cn(C)c2ccccc12)Cc1ccc2ccccc2c1 1772615128 BJXGTJILJDPIPD-UHFFFAOYSA-N 356.469 4.923 0 1 FJAF O=C1[C@@H]2C=CC=C[C@@H]2[C@@H](c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1 1772645426 CSFKVIAKLNZNPY-SQGPQFPESA-N 361.832 4.663 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@@]12O 2356651465 OMUWPNNQUCLTRC-QCGSOXJLSA-N 372.549 4.508 0 1 FJAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1CCC(C)=C[C@H]1O)[C@](C)(O)CCC=C(C)C 2356659999 APHIXPILELNTEX-XBJCXQGOSA-N 366.542 4.549 0 1 FJAF NCCc1csc(-c2ccc(F)c(C34CC5CC(CC(C5)C3)C4)c2)n1 2382227427 BBEWMZPOLJCHHT-UHFFFAOYSA-N 356.510 4.918 0 1 FJAF Cc1cc(C)cc(-n2cnc3cc(C(=O)N[C@@H]4CCCC[C@H]4C)ccc32)c1 3025793 HDKIIYBKLFFERU-YLJYHZDGSA-N 361.489 4.951 0 1 FJAF CCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1 3814243 JGFPTPPWULVKEL-UHFFFAOYSA-N 350.506 4.732 0 1 FJAF COc1cc(/C=C/c2cccc(/C=C/c3ccc(N)c(OC)c3)n2)ccc1N 28948986 RUVKATXFQFYXRV-JMQWPVDRSA-N 373.456 4.604 0 1 FJAF Cc1ccc(CC[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)cc1 45229774 UHGNRMGDNMUILJ-KXBFYZLASA-N 351.412 4.658 0 1 FJAF CC(C)(C)Cc1c[nH]c([C@](C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1 66074743 WFOBNYAVMIYRCG-JOCHJYFZSA-N 367.468 4.650 0 1 FJAF O=C(CCc1c[nH]c2ccccc12)Oc1ccc(CN2CCCCC2)cc1 96914936 HSYKNZZQTUKMIM-UHFFFAOYSA-N 362.473 4.692 0 1 FJAF O=C(CCCN1[C@H]2CC[C@H]1c1c([nH]c3ccccc13)C2)c1cccs1 100758060 GZLRSKHJKSOBOU-KSSFIOAISA-N 350.487 4.954 0 1 FJAF O=C(c1ccccc1)c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144709703 BCESKXHCRYSDTM-FQEVSTJZSA-N 354.327 4.696 0 1 FJAF CN1C[C@](O)(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc21 169307112 JJNOHYXMRHTEEN-OAQYLSRUSA-N 362.454 4.569 0 1 FJAF C/C(Cl)=C/CN1CC[C@@]2(c3ccccc3)C[C@H]1Cc1ccc(O)cc12 299846927 LDPJUHADKBAHEI-SWCFCEQMSA-N 353.893 4.841 0 1 FJAF CCCn1cnc2cc(-c3nc4ccc(F)cc4[nH]3)cc(Br)c21 587004440 SWFGHGKODOZPCM-UHFFFAOYSA-N 373.229 4.891 0 1 FJAF FC(F)(F)c1cnc2[nH]c(-c3coc(-c4ccccc4Cl)n3)nc2c1 587063737 ZYIVAOXVZGJAGO-UHFFFAOYSA-N 364.714 4.952 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(Cl)cc(C)c2[nH]1 587065442 QRJUMCIAJXRIKD-UHFFFAOYSA-N 365.216 4.578 0 1 FJAF FC(F)(F)c1cccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587076497 MMMLHHGCHOMOJW-CQSZACIVSA-N 365.742 4.852 0 1 FJAF Oc1ccccc1-c1cc(-c2nc3cncnc3[nH]2)c2cccc(Cl)c2n1 587082434 OCYVZWNWUYTOIQ-UHFFFAOYSA-N 373.803 4.594 0 1 FJAF COc1cccc(-c2cc(-c3cnn(C)c3N)nc3c2oc2ccccc23)c1 587363330 MAUBIZLCFGRRHW-UHFFFAOYSA-N 370.412 4.639 0 1 FJAF CC[C@@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587380803 AUVNXEKBWBSEFQ-SFHVURJKSA-N 365.351 4.747 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587418847 AYJCLMFSKLFMFZ-PYFOHURJSA-N 362.347 4.634 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)COCc1ccccc1)CC2=O 587481440 MJAIENXHWPZLNH-BTYIYWSLSA-N 354.446 4.531 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(C1CCCC1)CC2=O 587490236 PJYICNVNRDPECI-QFIPXVFZSA-N 351.446 4.791 0 1 FJAF Cc1ccc([C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603202 NRIWOZFGRDBTKY-RSDPBLMXSA-N 360.409 4.835 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccnc(Cl)c2[nH]1 587782880 RMJWHMNLGNKONH-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF Cc1cccc(OC[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587803912 YHGGLEXTCIPAPF-SGTLLEGYSA-N 364.258 4.551 0 1 FJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809358 PVKQXLFFJMKHNZ-BBATYDOGSA-N 364.258 4.529 0 1 FJAF Cc1ccccc1C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587810254 CHTGZMMCSBVOFH-BFUOFWGJSA-N 362.286 4.889 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccsc2)N1 587851158 BASWYXNAJSBEJO-QLJPJBMISA-N 354.288 4.642 0 1 FJAF c1coc(CN2CCc3sccc3[C@@H]2c2cc(-n3ccnc3)cs2)c1 962714421 WACOBYJQTZRUAD-LJQANCHMSA-N 367.499 4.736 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cc2ccc(Cl)cc2[nH]1 963072922 ZWLZZJTUHFGFLP-OAQYLSRUSA-N 363.848 4.613 0 1 FJAF CCc1nn(-c2ccccn2)c2cc(-c3ccc(CCC(=O)O)cc3)ccc12 1772626329 FFERBSWFSCFUMJ-UHFFFAOYSA-N 371.440 4.667 0 1 FJAF Cc1ccc(-c2noc(CCC(=O)N(C)c3cc(Cl)ccc3C)n2)cc1 4920971 OOMSVKNYGBLSJD-UHFFFAOYSA-N 369.852 4.602 0 1 FJAF CC[C@@H]1[C@@H](c2ccc(O)c(OC)c2)c2cc(O)c(OC)cc2C[C@H]1CC 6412145 XWRKSUJIWPCHLR-JFUMZLFPSA-N 356.462 4.855 0 1 FJAF biogenic COc1cccc(C(=O)Nc2cccc(NC(=O)c3cccc(C)c3)c2)c1 10773654 BDNAMYQJRGUUAR-UHFFFAOYSA-N 360.413 4.508 0 1 FJAF Cc1cc(C)c(C2=C(OC(=O)C(C)(C)C)C3(CCCC3)OC2=O)c(C)c1 13827897 QYNSWRWBSZUMRV-UHFFFAOYSA-N 356.462 4.782 0 1 FJAF CN(C)[C@H]1CCC[C@H]1N(C(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28238200 IENHEXFICZMHDO-DLBZAZTESA-N 355.309 4.609 0 1 FJAF CCO[C@@H](c1ccc2c(c1)OCO2)[C@@H](C)[C@H](C)Cc1ccc2c(c1)OCO2 29056155 QBTFMURMTWNANN-ZCCHDVMBSA-N 370.445 4.737 0 1 FJAF O=C(C=C(c1ccccc1)c1ccccc1)NCCCCc1cccnc1 29545359 NFALHGKQVCZJGC-UHFFFAOYSA-N 356.469 4.652 0 1 FJAF C[C@@H](Oc1cc(-c2cc[nH]n2)cnc1N)c1c(Cl)ccc(F)c1Cl 38214917 DROZDYQMLMYEQK-MRVPVSSYSA-N 367.211 4.640 0 1 FJAF C=C=CCOc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1O 45356497 RIBKVVLEGYLFLZ-UHFFFAOYSA-N 357.772 4.591 0 1 FJAF c1cc(CNc2ncnc3ccsc23)cc(Nc2nc3ccccc3[nH]2)c1 49110198 RDXHPHYQWFZWFU-UHFFFAOYSA-N 372.457 4.923 0 1 FJAF CN(C)CC[C@@]1(c2ccc(-c3ccccc3)cc2)Cc2ccccc2C(=O)O1 53246860 OOHAGGVXCUXHDP-VWLOTQADSA-N 371.480 4.914 0 1 FJAF c1ccc(N2CCN(Cc3coc(-c4cccc5ccccc45)n3)CC2)cc1 72180769 IAIKBQAHDQVMJV-UHFFFAOYSA-N 369.468 4.817 0 1 FJAF COc1cccc(CCN(C)C(=O)c2ccc(-c3cccc(F)c3)s2)c1 95582384 DYIJGEVBSOUHJX-UHFFFAOYSA-N 369.461 4.878 0 1 FJAF Cc1cc(O)cc2oc(=O)cc(CSc3nc4ccccc4s3)c12 96910555 MERKQUOJHXKOEY-UHFFFAOYSA-N 355.440 4.709 0 1 FJAF Cc1c(Cl)ccc2cc3c(nc12)SC(NCc1ccccc1)=NN=C3 98085385 WMFXHXNTLWCTDE-UHFFFAOYSA-N 366.877 4.782 0 1 FJAF O=C(O)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094503 AFBCIXGPKLWQEE-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF Cn1cc([C@@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C2(C)C)cn1 587105334 YRIWQHDFWFPXKU-OAQYLSRUSA-N 365.436 4.603 0 1 FJAF Fc1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)nc1Br 587155517 NHXZGKQRDUBPCV-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1ccc(NC2(c3nc4cc(Br)ncc4[nH]3)CCCC2)cc1 587237567 UFPHOGLIVUXSPA-UHFFFAOYSA-N 371.282 4.910 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1Oc1ccccc1C=O)O2 587402513 DVKDKMSERWAWDP-QFIPXVFZSA-N 373.408 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cc(F)ccc3n1)CC2=O 587472815 VNJSBUILQCJZNQ-FQEVSTJZSA-N 351.377 4.739 0 1 FJAF O=C1C[C@H](c2cccc(Oc3ncccn3)c2)Oc2c1ccc1c2CCCC1 587515097 KZDDYLLXILKZGX-OAQYLSRUSA-N 372.424 4.854 0 1 FJAF Cc1ccccc1Cn1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587655872 GORSEENVGIBLMQ-UHFFFAOYSA-N 362.379 4.698 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587713130 BGMMWTXAYIQESC-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF COc1cc(C)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811581 WHORTFDBOBHUCX-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1csc(C)c1CC 587872577 OHOUHXAJXADGNI-UHFFFAOYSA-N 358.438 4.709 0 1 FJAF c1coc(CN2CCc3sccc3[C@@]23CCc2ccc4c(c23)CCO4)c1 962704146 IUEVKJHZDJKDJL-JOCHJYFZSA-N 363.482 4.524 0 1 FJAF Cc1cccc(C)c1CC[C@]1(C2CC2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963033007 WFSOHNGMVKUJPK-AVRWGWEMSA-N 374.528 4.595 0 1 FJAF O=C(O)Cc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1 1772624635 KMBJEKGUMRDKJY-UHFFFAOYSA-N 373.334 4.533 0 1 FJAF CC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857610435 FBPVKPXANVGJLA-IBGZPJMESA-N 365.452 4.534 0 1 FJAF Oc1ccc2c(c1)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CCOc1ccccc1 26663572 ANPFDZVJMUWEGU-VXNXHJTFSA-N 363.501 4.530 0 1 FJAF C[C@@]1(c2ccc(Cl)cc2)C(=O)Nc2cc(Cl)cc(Cl)c2C1=O 28978456 PTLBIFOZYYQURA-INIZCTEOSA-N 354.620 4.740 0 1 FJAF N[C@@H](CSC(c1ccccc1)(c1ccccc1)C1CCCCC1)C(=O)O 29135062 AKLAXSZOQYHFCN-FQEVSTJZSA-N 369.530 4.656 0 1 FJAF CCN(CC)CCC[C@H](C)Nc1c([N+](=O)[O-])cnc2cc(Cl)ccc12 38620984 VUUJVASZOJJHEP-ZDUSSCGKSA-N 364.877 4.719 0 1 FJAF CC(=O)c1c(OCCC23CC4CC(CC(C4)C2)C3)ccc2ccc(=O)oc12 64549766 GVEYQOCXIYBZSF-UHFFFAOYSA-N 366.457 4.981 0 1 FJAF CCc1cccc2c(OC(C)=O)c(-c3occ(C)c3COC(C)=O)ccc12 66262693 YOTWTZNXBDEASM-UHFFFAOYSA-N 366.413 4.959 0 1 FJAF Cc1cc(C)c(Oc2cc(Nc3ccc(Cl)cc3)n[nH]c2=O)c(C)c1 95604940 YDULDGQYZYQPQS-UHFFFAOYSA-N 355.825 4.884 0 1 FJAF O=c1c(CSc2cc(=O)c3ccccc3s2)coc2ccccc12 96911304 PZXMBSWMHCHTKE-UHFFFAOYSA-N 352.436 4.660 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1[C@H]1C[C@@H]2CC[C@@H]1C2 100870359 NUBAMRDDDMGSCF-HMFYCAOWSA-N 369.468 4.712 0 1 FJAF COc1cc(Nc2nccc(-c3ccc(Cl)cc3)n2)cc(OC)c1OC 103300954 YMFWMHNWDMYUDT-UHFFFAOYSA-N 371.824 4.566 0 1 FJAF COc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c(OC)c1 299836432 GRSUELDJPNCZJD-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(F)(F)F)C3 586987521 YDUOROKAVXEIJY-JTQLQIEISA-N 369.342 4.819 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Br)[nH]c3ccccc13)O2 587372893 NLJTUMBEMURWLO-HNNXBMFYSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc(C(C)C)cc3)c1)O2 587391265 MDASEDHMHXJBGH-NRFANRHFSA-N 361.445 4.593 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C)ccc(C)c31)CC2=O 587493164 SMANPGJGXPNJIQ-JOCHJYFZSA-N 352.430 4.605 0 1 FJAF CC(C)(C[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587508390 ASBMTBDOSWDTSU-OAHLLOKOSA-N 373.493 4.593 0 1 FJAF Cc1ccc(OC(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587510127 YYNJNXBUJOFTAY-QGZVFWFLSA-N 359.372 4.577 0 1 FJAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@H]1C(=O)c1ccco1)[C@@H](C)C2 587602274 HLPYGXZGCXNTKD-OQHVVPOVSA-N 372.420 4.750 0 1 FJAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603914 SHUJAUZYKIEOIT-REWPJTCUSA-N 360.409 4.832 0 1 FJAF Cc1nn(-c2c(C)[nH]c3cc(Cl)c(F)cc23)c(C)c1Br 587628125 IMJNAOJLYNGDNG-UHFFFAOYSA-N 356.626 4.834 0 1 FJAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2ccc(F)c(Cl)c12 587628850 SAOVJTWMJMRMAG-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF Cc1c(-c2cccc(C(F)(F)F)c2F)[nH]c2ccc(S(C)(=O)=O)cc12 587649396 ILGIWPHZZPWOOU-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2CC2(Cl)Cl)N1 587691484 GAXSCCAIBWEGGX-HYJLZEBJSA-N 367.089 4.531 0 1 FJAF Cc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587730819 YIJOVKXFZGWRAJ-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1ccc(/C=C/[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826577 FFTRVUVBUVFCCS-QIPJSJELSA-N 350.231 4.778 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccsc2Cl)N1 587848056 ZAVPZNMXKBYQCH-WPPNPWJKSA-N 360.679 4.927 0 1 FJAF CC(=O)SCc1cc(O)n(CCCc2ccc(Cl)c(Cl)c2)c1O 587942981 FZHCGWRXMPOEHQ-UHFFFAOYSA-N 374.289 4.619 0 1 FJAF C[C@H](c1c(Nc2cc(F)cc(F)c2)c(=O)c1=O)c1cccc2ccccc12 653842129 MYQUCDXZNRGBJM-LBPRGKRZSA-N 363.363 4.609 0 1 FJAF COc1cc([C@H]2NCCc3cc(-c4ccccc4)ccc32)cnc1Cl 962665237 HBNFTBNFDKBTDE-HXUWFJFHSA-N 350.849 4.646 0 1 FJAF Cc1ccnc2c1CCN[C@@]2(c1cccc(Br)c1)C1CCCC1 963073632 WQZRYMWEFPAIQC-HXUWFJFHSA-N 371.322 4.732 0 1 FJAF c1ccc(-c2ccc(Nc3ccnc(NCCN4CCCCC4)n3)cc2)cc1 1857580300 YJVYVIVOOWNUAK-UHFFFAOYSA-N 373.504 4.785 0 1 FJAF Cc1ccc(Nc2ccc3c(c2)[C@H](Cc2ccc4c(c2)OCO4)C(=O)N3)cc1 1857583470 XUYVHYIAOQDACN-IBGZPJMESA-N 372.424 4.746 0 1 FJAF Nc1ccc2oc3nccc(NCc4cccc(Br)c4)c3c2c1 1857754913 CIWNVSJAFYWRQH-UHFFFAOYSA-N 368.234 4.938 0 1 FJAF CC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1 13679266 HBZLYXODYAMSLH-UHFFFAOYSA-N 374.231 4.547 0 1 FJAF O=c1[nH]c2cc(Cl)ccc2c(OCc2ccccn2)c1-c1ccccc1 13761242 UWJKDLRLKJJLSA-UHFFFAOYSA-N 362.816 4.823 0 1 FJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1cc(C)cs1 26673242 OZENWBAOZLNJJD-UHFFFAOYSA-N 352.481 4.846 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 36271735 ZVYVEQWQWNSQIJ-AYWYSENESA-N 369.892 4.820 0 1 FJAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@H]1c1ccc(Cl)cc1 43120952 RZDDIZYQUPEAAW-IEBWSBKVSA-N 374.893 4.632 0 1 FJAF O=C(O)C1=Cc2c(ccc(Cl)c2-c2ccccc2)O[C@H]1C(F)(F)F 66259130 GVZQSPAADZTMEY-OAHLLOKOSA-N 354.711 4.798 0 1 FJAF CCCCN(CC)c1nc(N[C@@H](C)CC)nc(Oc2ccc(OC)cc2)n1 82067044 SSOPRQPAYYRUFA-HNNXBMFYSA-N 373.501 4.509 0 1 FJAF Cc1ncc(CO)c2c(Nc3ccccn3)c(N[C@@H](C)c3ccccc3)oc12 95572121 QQBBAKVLLRHELN-AWEZNQCLSA-N 374.444 4.940 0 1 FJAF CCSc1nc2c3ccccc3nc-2c(O)n1-c1cccc(Cl)c1 100705453 JUXVWYGJHNLBPY-UHFFFAOYSA-N 355.850 4.996 0 1 FJAF Cc1cc(C)cc(CC2=C(N(C)C)C(=O)NC3(CCCC3)C23CCCC3)c1 101003716 VMIRFRIHUZBEGR-UHFFFAOYSA-N 366.549 4.665 0 1 FJAF O=c1ccc2c(OCCCCOc3ccc(F)cc3)c3ccoc3cc2o1 136457253 QWSXUYUDIGJWPJ-UHFFFAOYSA-N 368.360 4.916 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)C2 586888800 YNLMPJZBZUEVRY-GARJFASQSA-N 352.381 4.814 0 1 FJAF COc1nccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071868 TUVKEMMXZSNHAP-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF CC(=O)N[C@@H](Cc1nc2cc(Cl)cc(Cl)c2[nH]1)c1ccc(C)cc1 587205455 AMPZCLQIRDNPRW-HNNXBMFYSA-N 362.260 4.598 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587239808 OMPLOJDYFNIMML-UHFFFAOYSA-N 372.428 4.608 0 1 FJAF COc1cc(C)c(N)c(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1 587250111 TXLDMURHHSRKIC-UHFFFAOYSA-N 359.429 4.708 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)[nH]c3ccc(F)cc13)CC2=O 587469516 ADDGSYQNERBURN-IBGZPJMESA-N 353.393 4.980 0 1 FJAF O=C1C[C@@H](c2ccc(O)cc2Br)Oc2c1ccc1c2CCCC1 587503451 ODXAIXRFDFWBBI-SFHVURJKSA-N 373.246 4.740 0 1 FJAF CC1(C)Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604526 USVNKGDJFFZWIH-RDPSFJRHSA-N 372.420 4.832 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccoc12 587614511 BZZZKTJRGFTVRZ-XMSQKQJNSA-N 358.349 4.841 0 1 FJAF CCCOc1cccc(Cc2nc3cc(F)cc(Br)c3[nH]2)c1 587777522 AFZYYQCDFHTYOK-UHFFFAOYSA-N 363.230 4.844 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS[C@H](C(C)(C)C)C2)N1 587858565 RJCSIZVZULIRAZ-TYFHEEPYSA-N 372.347 4.869 0 1 FJAF CC(C)c1cc(OC(C)(C)C)n(-c2c(N)cccc2Br)c1O 587937449 RYULMKLIZKXRHC-UHFFFAOYSA-N 367.287 4.828 0 1 FJAF CCc1ccc(C(=O)CCc2nc3cccc(Br)c3[nH]2)cc1 587955249 JKYCVQQOCREZEQ-UHFFFAOYSA-N 357.251 4.703 0 1 FJAF NC(=O)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957783 UQWUKFQDORZTBZ-UHFFFAOYSA-N 373.497 4.580 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1c(C)nn(-c3ccc(Cl)cc3)c1C)NCC2 962088833 GVHBCPOZWMQETQ-OAQYLSRUSA-N 369.871 4.825 0 1 FJAF O=C(CC(=O)c1ccccc1)C[C@@](O)(C=Cc1ccccc1)c1ccccc1 1857623131 MUWXSVQCTMZWEZ-VWLOTQADSA-N 370.448 4.820 0 1 FJAF Fc1ccc([C@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1F 2382219011 BNQXCIUECRAWBD-KRWDZBQOSA-N 371.412 4.729 0 1 FJAF CCCCNC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1C 13727223 CEMOHMULNHSZDS-UHFFFAOYSA-N 363.461 4.825 0 1 FJAF CO[C@@H](CNC(=O)/C=C\c1ccccc1)c1ccc(OCC=C(C)C)cc1 14616912 MLCNANOYWKNAAF-GUIXVQPWSA-N 365.473 4.549 0 1 FJAF endogenous,in-man Cc1nc(-c2cc(Nc3ccc(OC(F)(F)F)cc3)ncn2)cs1 64548369 HRCITRRSKGUPIX-UHFFFAOYSA-N 352.341 4.551 0 1 FJAF COc1ccccc1CN(C(C)=O)c1cnc(F)cc1Oc1ccccc1 72113230 AWEYHVLPBGXFIH-UHFFFAOYSA-N 366.392 4.575 0 1 FJAF C[C@H](CNCc1coc(-c2ccccc2Br)n1)c1ccccc1 72183139 VLUUTYPPRFGJDX-CQSZACIVSA-N 371.278 4.997 0 1 FJAF O=C1c2ccc(NCCCN3CCCCC3)cc2-c2nccc3cccc1c23 73314911 CSINCOBQFMDGAE-UHFFFAOYSA-N 371.484 4.734 0 1 FJAF O=C(Nc1cc2ccccc2cn1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 95576500 XVNXLMMYWHJXME-SFHVURJKSA-N 372.428 4.560 0 1 FJAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cscn2)c1 113762258 UOPXZCDCQBYWAM-HNNXBMFYSA-N 366.486 4.550 0 1 FJAF O=C(Nc1ccc(CC[C@@H]2CCCN2)cc1)c1ccc(C(F)(F)F)cc1 117718865 AIQBPKOKHDISMC-KRWDZBQOSA-N 362.395 4.642 0 1 FJAF CC(=O)[C@@H](CCCCCCC(=O)O)CCC[C@H](O)CCc1ccccc1 169322249 DJCMOAQEGWWEJG-SFTDATJTSA-N 362.510 4.781 0 1 FJAF CC(=O)Oc1c(O)c(C(C)C)cc2c1[C@@]1(C(=O)O)CCCC(C)(C)[C@@H]1CC2 238738052 XXDPOBFOFASYAX-KSFYIVLOSA-N 374.477 4.536 0 1 FJAF CO[C@@H]1c2ccccc2[C@@H]2[C@H](C(=O)O)c3c(n(C)c4ccccc34)[C@@H]2[C@@H]1C 254071272 SAAHQXFSJMSMGY-DULPTNIISA-N 361.441 4.565 0 1 FJAF CCn1cnc(=N)c2c(-c3ccc(Cl)cc3)cn(-c3ccc(C)cc3)c21 377842374 OBGNNIPYXMQLRW-UHFFFAOYSA-N 362.864 4.955 0 1 FJAF Cc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)nc1 473109202 QUWSUCCDLAGHKY-UHFFFAOYSA-N 359.376 4.742 0 1 FJAF Brc1ccc(OCCOc2ccc(-n3cccc3)cc2)cc1 473137057 WHJFQQRHIYQIEM-UHFFFAOYSA-N 358.235 4.698 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)cc(F)c3[nH]2)cc1 586887112 HFBFIAHBOSGLOA-MGPLVRAMSA-N 363.230 4.610 0 1 FJAF CCCOc1cc2nc(C(C)(C)CSC)[nH]c2cc1Br 586969863 ZLXRJSZTSDWGSE-UHFFFAOYSA-N 357.317 4.755 0 1 FJAF CCCC(Br)(CCC)c1nc2cc(F)cc(C(=O)O)c2[nH]1 586971540 UCNOCUYQAQWFIF-UHFFFAOYSA-N 357.223 4.591 0 1 FJAF Cc1ccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002538 WEXMWLDZLZUVTC-HWKANZROSA-N 371.234 4.575 0 1 FJAF Clc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c(Cl)n1 587017706 PLICSTXVGBUSPM-UHFFFAOYSA-N 351.218 4.572 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587240954 SMNQXEDOOAAVNY-FQEVSTJZSA-N 373.416 4.706 0 1 FJAF NC(=O)Nc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587241721 GXBLOAPRIIYXKL-UHFFFAOYSA-N 360.442 4.872 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(N)c4)c1)[C@@H](C2)C3=O 587433770 WFFQEFUIKUFHKF-RDPSFJRHSA-N 371.436 4.607 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587446584 ZHZXJKKBSVZQNW-FKHUDQKESA-N 350.458 4.813 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OC(C)=O)c(C)c1)CC2=O 587480073 MZDBRQONAGIUQD-HXUWFJFHSA-N 368.429 4.593 0 1 FJAF Cc1cc(F)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587732489 NLZZUKROKFCFSV-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccc(F)cc2)N1 587735104 PCDJMALBKRNUPD-BBATYDOGSA-N 366.249 4.719 0 1 FJAF OCCc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783943 JPNINNOJQGIRDT-LCYFTJDESA-N 370.452 4.847 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Cl)N1 587844597 OMADKOOKNUHPOS-FUXBKTLASA-N 360.679 4.927 0 1 FJAF CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3cc(F)ccc3F)cs2)C1 587921942 DBAXQXWCYSXZCE-NSHDSACASA-N 366.433 4.813 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 587952938 YCXNIXSKKZODRQ-XSRFYTQQSA-N 374.378 4.799 0 1 FJAF CCCCC[C@@H]1CC[C@@H]2[C@@H](CC(=O)[C@@H]2CC=CCCCC(=O)OC)O1 2356437032 FCMFHXNVRJAYJM-FTEYMNFISA-N 350.499 4.609 0 1 FJAF CC(=O)O[C@@H]1CC(C)=CCC=C2C(=O)OC[C@@H]2[C@H]1[C@H](C)CCC=C(C)C 2356634720 MFANFVLPLDXKAO-UMSONDCASA-N 360.494 4.756 0 1 FJAF CCCN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl 13559440 AGMBPZJFHBMGNN-ZWKOTPCHSA-N 365.260 4.941 0 1 FJAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@H]2O 14819238 ADIMMCHZVYYGPW-QZTJIDSGSA-N 354.446 4.770 0 1 FJAF biogenic COC(=O)/C(=C\CC[C@@H](CCCc1ccoc1)C(=O)O)CCC=C(C)C 15194358 HXALOZYLMZYNEY-GEBKJHSDSA-N 362.466 4.929 0 1 FJAF CCCCCNC(=S)NCCCC/C=C\CCCCCCC(=O)O 43023725 XZCDMUCBAMBZQK-ALCCZGGFSA-N 356.576 4.792 0 1 FJAF in-vivo Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(C2CCNCC2)n1 49052767 VEAPZTZLGFDHAO-UHFFFAOYSA-N 357.816 4.663 0 1 FJAF O=C(Cc1cccc2cnccc12)Nc1ccsc1-c1cscn1 64560850 FFPJBQIHDBPVHZ-UHFFFAOYSA-N 351.456 4.601 0 1 FJAF CC(=O)Nc1cccc(Oc2cncc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)n2)c1 82068842 DOMDJPXLJKOZMI-RHSMWYFYSA-N 368.481 4.854 0 1 FJAF Cc1ccc(C2=CCN(CCNC(=O)c3ccc4ccccc4c3)CC2)cc1 169335019 XDNUZYPRYUJTSH-UHFFFAOYSA-N 370.496 4.667 0 1 FJAF CCc1nn(Cc2c(Cl)cccc2Cl)c2cc(CC(=O)O)ccc12 203424035 RNHPNYFZQWSPEA-UHFFFAOYSA-N 363.244 4.581 0 1 FJAF CCCN(CCC)c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1 205431010 OZBRLBINZJTDPM-UHFFFAOYSA-N 367.424 4.761 0 1 FJAF Cc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)ccc1-c1ccc(C(=O)O)cc1 586878653 CGRMKERTNCQFEJ-UHFFFAOYSA-N 372.380 4.632 0 1 FJAF Oc1ccccc1C1(c2nc3cc(Cl)cc(Br)c3[nH]2)CC1 586896582 FNTHEVNHTDCFHQ-UHFFFAOYSA-N 363.642 4.764 0 1 FJAF Fc1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 586999789 BUWGQVLUYNZFQY-UHFFFAOYSA-N 372.197 4.592 0 1 FJAF CN1CCN(c2ccc3nc(-c4cccc(-c5ccsc5)c4)[nH]c3c2)CC1 587027623 XVQYAHAWUNLJMT-UHFFFAOYSA-N 374.513 4.710 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)cc2[nH]1 587148880 BFMIAOKBKLLRDU-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF Cc1cc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1F 587168470 XIBPYULEIMPHIT-KRWDZBQOSA-N 356.376 4.519 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(C)nc(C)cc3[nH]2)c1 587196141 QKBGSPOFRSLJSU-UHFFFAOYSA-N 366.465 4.921 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587213018 XAKPHMDCEMSGBE-FXAWDEMLSA-N 357.453 4.710 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C3CC3)C2)[C@H]1c1ccc(F)cc1 587351859 LAVYJKRCRXZECL-PDXHDDNESA-N 352.405 4.839 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1sccc1C)[C@@H](C2)C3=O 587452203 MVXGMGKTSOUKCM-JTSKRJEESA-N 362.450 4.756 0 1 FJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc(F)c1F 587557051 LHOIKRVQVHTHFB-LAUBAEHRSA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccccc12 587616656 LQSDZLRUCOXKMG-UGKGYDQZSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)N1 587826150 GUUYRMUEBUAKIM-JPZQVTKCSA-N 364.302 4.774 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1cc(C(F)(F)F)cc(C)n1 587870889 KQIQWYWSWLYMRK-UHFFFAOYSA-N 365.330 4.799 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)c(F)c(F)c3[nH]2)CC1 587970874 NSZSIEQPSVQUDT-UHFFFAOYSA-N 360.791 4.924 0 1 FJAF Cc1cc(-c2ccc(F)nc2)cc([C@H]2NCCc3cc(C)c(F)cc32)c1 962141219 BPMLIZLOUVYTRM-JOCHJYFZSA-N 350.412 4.879 0 1 FJAF Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1 1857748542 FQBDLLQDJPGLMU-UHFFFAOYSA-N 356.441 4.561 0 1 FJAF CCCN1CC(=O)Nc2ccc(-c3ccc(O)cc3)cc2[C@@H]1c1ccccc1 1911586887 XMIJIVVSJKUQCX-DEOSSOPVSA-N 372.468 4.813 0 1 FJAF CC(=O)Nc1ccc2[nH]c(Cc3ccc(Oc4ccccc4)cc3)nc2c1 13560451 RCOPFJSNIYGOMZ-UHFFFAOYSA-N 357.413 4.904 0 1 FJAF COc1cccc(C(=O)N[C@@](C)(C(=O)c2cc(C)cc(C)c2)C(C)C)c1C 27548966 CJBYIIVEAXLTAD-HSZRJFAPSA-N 367.489 4.648 0 1 FJAF Cc1cccc(NC(=S)N2CCC(c3cccc(Br)c3)=N2)c1 40918757 PQRRPZIAGOCMTG-UHFFFAOYSA-N 374.307 4.564 0 1 FJAF Fc1ccccc1CN1CC[C@@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 51076736 MNBXCMMNVPCGFT-CYBMUJFWSA-N 363.358 4.710 0 1 FJAF biogenic CO[C@@H]1c2ccccc2[C@@H]2[C@H](c3c(c4ccccc4n3C)[C@@H]2C(=O)O)[C@@H]1C 66167347 SAAHQXFSJMSMGY-XLYRFULNSA-N 361.441 4.565 0 1 FJAF CCCCCn1c(CCC)nc2c(NCc3cccc(F)c3)ncnc21 82221845 XMXZWPWIEHSKQG-UHFFFAOYSA-N 355.461 4.720 0 1 FJAF O=C1NC[C@H](c2ccc(C3CCCCC3)cc2)N1c1ccc2[nH]cnc2c1 116195096 JNLGPDKBXLBBQW-OAQYLSRUSA-N 360.461 4.882 0 1 FJAF COc1nc2cccnc2n1-c1ccc(Nc2ccc3ccccc3n2)cc1 169351378 IIWKEXDGRXRYBR-UHFFFAOYSA-N 367.412 4.721 0 1 FJAF CC(C)C[C@@H](CN(C)C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989100 WOHHKZIZJZNEDC-HNNXBMFYSA-N 374.484 4.843 0 1 FJAF Cc1nccc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587110466 YCRHXUQGBYVTAS-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF Cc1cc(Br)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587139340 HQDMCHDBCUIUQR-UHFFFAOYSA-N 369.184 4.836 0 1 FJAF COc1ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c2c1 587198067 SIAWQQGHBZMMBO-IBGZPJMESA-N 367.449 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CC(C)(C)Cc4cc(C)cc(C)c41)[C@@H](C2)C3=O 587446761 FIYAMZCGHHBTOR-UUOWRZLLSA-N 362.469 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2SC[C@H]1C 587498186 ZIYXZLLWBGUBRK-LRTDBIEQSA-N 354.471 4.947 0 1 FJAF C[C@]1(c2cccc3c2CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602056 IMYRHYQXWNKSKD-XUZZJYLKSA-N 372.420 4.758 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(F)F)CC2)N1 587714000 DRNCFJPYYBDRQI-PWGATLRDSA-N 362.233 4.773 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3c2)N1 587779471 SQCNWJSLYHLULV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(F)c1F 962998699 PLUTVHSQITXJBT-HXUWFJFHSA-N 372.440 4.578 0 1 FJAF COc1cccc([C@]2(CCc3ccccc3C)NCCc3c(C)ccnc32)c1 963068868 LPMVDRHGMXZWHA-VWLOTQADSA-N 372.512 4.729 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963098671 IYNHDSYHQGRXIF-WZONZLPQSA-N 361.464 4.510 0 1 FJAF Cc1ccc2c(c1)nc(O)n2C1CCN(Cc2ccccc2Cl)CC1 1857760643 VHESADBTUOCYJU-UHFFFAOYSA-N 355.869 4.541 0 1 FJAF N=C(N)Nc1nc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cs1 2382249801 POWMUYXGLWCHMK-UHFFFAOYSA-N 352.507 4.583 0 1 FJAF Oc1cccc(-c2nnc3ccc(-c4cccc(OC(F)(F)F)c4)cn23)c1 205216327 RXILGFCKWLRAGG-UHFFFAOYSA-N 371.318 4.668 0 3 FJAF c1ccc(C(CCc2nc(CCN3CCCC3)c[nH]2)c2ccccc2)cc1 13531791 HKZSTMPUPMSPLU-UHFFFAOYSA-N 359.517 4.813 0 1 FJAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12 14975370 UTRWIKREJCMOST-UHFFFAOYSA-N 362.364 4.860 0 1 FJAF O=S1(=O)c2ccccc2Oc2cccc(Cc3cccc(Cl)c3)c21 26188525 UPCFCWPQVHNFIX-UHFFFAOYSA-N 356.830 4.869 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C/C(=C\c1ccccn1)[C@@H]2O 28568733 NEJZGGCMSBCPLE-DSBUTMLTSA-N 361.485 4.698 0 1 FJAF in-vivo COc1c2occc2c(OC)c2c(=O)cc(CSc3ccccc3)oc12 29402337 WOHIBVYLNNFZRA-UHFFFAOYSA-N 368.410 4.849 0 1 FJAF CCCC[C@]12C[C@@]1(C(=O)Oc1ccccc1)C(=O)Nc1ccc(Cl)cc12 34821532 VIDRLXIQSOUTDO-RTWAWAEBSA-N 369.848 4.716 0 1 FJAF Nc1cccc(-c2nc3ccc(Br)cn3c2NC2CCCC2)c1 43122010 AUKXPBXTFQADQU-UHFFFAOYSA-N 371.282 4.701 0 1 FJAF CNC(=O)NC(=O)[C@H](CCC1CCCC1)c1ccc(Cl)c(Cl)c1 49113350 NEJAPCJLWIXAKZ-CYBMUJFWSA-N 357.281 4.503 0 1 FJAF CCN(CC)CCOc1ccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1 95561298 LVFMFLDRHODBJZ-UYRXBGFRSA-N 370.880 4.553 0 1 FJAF Cc1nc2cc(C(F)(F)F)ccc2n1C[C@@H]1CCCN2CCCC[C@H]12 299827473 FXWSQUYCOXWGFG-WMLDXEAASA-N 351.416 4.628 0 1 FJAF CC1(C)[C@@H]2C[C@H]1c1c(nc3ccc(O)c4c3c1-c1ccccc1C4=O)[C@@]2(C)O 586991480 NWWXXSIVUOOJKM-XIKBYKQQSA-N 371.436 4.503 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587013276 RJIIQWQRJZGTSN-UHFFFAOYSA-N 369.675 4.683 0 1 FJAF CCc1cc(OCc2nc3ccnc(Br)c3[nH]2)ccc1Cl 587052802 NHLQLYZBIBFHCX-UHFFFAOYSA-N 366.646 4.515 0 1 FJAF Fc1c(Br)ccc2nc(-c3ncccc3C(F)(F)F)[nH]c12 587108726 QEUWXMZRSGLVIG-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF OCc1ccc2nc([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151076 PPCIATZENPOPJS-HXUWFJFHSA-N 366.367 4.502 0 1 FJAF CCOC(=O)c1ccc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2c1 587236582 AUSZCZMRZRDNKC-UHFFFAOYSA-N 363.461 4.929 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@H](C)Cc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587446604 ZUCJCPILZTZMJJ-OTURYTIQSA-N 364.485 4.988 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc3c1OCOC3)CC2=O 587462455 OUTSWKXQLBGWPQ-GOSISDBHSA-N 374.820 4.571 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ncc[nH]1)(C1CCCCC1)CC2=O 587480931 GHOZSBDZWIBHBP-OAQYLSRUSA-N 354.450 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC2(CCC2)Oc2ccccc21 587483596 FYBQTCDHEDJTIN-HSZRJFAPSA-N 364.441 4.911 0 1 FJAF Cc1cc(C)cc(OCc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587563741 AFEDIOBLPCPHAB-UHFFFAOYSA-N 358.445 4.590 0 1 FJAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2cc(Cl)c(F)cc12 587629578 CLQCCPMBDLSHLA-UHFFFAOYSA-N 372.705 4.828 0 1 FJAF CCOC(=O)c1c(-c2c(F)c(F)c(F)c(F)c2F)[nH]c2cccc(F)c12 587634376 WXMCCOHGFKBSLQ-UHFFFAOYSA-N 373.252 4.846 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3n2C)N1 587760393 YGIUWBREGMDXHQ-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc3C2)N1 587817434 KZSFOFIZRHZOAN-HXPMCKFVSA-N 360.270 4.507 0 1 FJAF CSC[C@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587845122 MXTPEPBFJMGQFR-HWPZZCPQSA-N 360.336 4.727 0 1 FJAF Cn1ccc2cc([C@@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)ccc21 962718968 RMHNWFOOMDGMSF-HTAPYJJXSA-N 366.505 4.770 0 1 FJAF Cn1ccc2cc([C@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc21 962718973 RMHNWFOOMDGMSF-VGSWGCGISA-N 366.505 4.770 0 1 FJAF CN(CCCCN1C(=O)CCc2ccccc21)Cc1ccc(Cl)cc1 1772607169 QSPDLICZLZPIRQ-UHFFFAOYSA-N 356.897 4.531 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1ccc(OC(C)=O)c(OC)c1)O2 2356641566 ULUHHHUHNYTNGV-LRTDBIEQSA-N 368.429 4.899 0 1 FJAF O=C(O)CSc1ncnc2sc(-c3ccc(Cl)c(Cl)c3)cc12 2382236382 CSKXYSGDWOGYAA-UHFFFAOYSA-N 371.270 4.842 0 1 FJAF Cn1cc(CN2CCC[C@H](C(=O)c3cc(F)ccc3F)C2)c2ccccc21 11666533 JFECUBGECCGCST-HNNXBMFYSA-N 368.427 4.551 0 3 FJAF COc1ccccc1-c1cc2nc(NCc3cccc(Cl)c3)ccn2n1 61930021 QJJPVFXOFMRVMV-UHFFFAOYSA-N 364.836 4.670 0 3 FJAF COc1ccc(CCc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 13557960 PTHKBLNWXGEZJM-UHFFFAOYSA-N 361.441 4.741 0 1 FJAF CC(C)=CCN1CC[C@@]2(C)c3cc(O)c(Br)cc3C[C@@H]1[C@@H]2C 13742464 YTONQGWHDGBSSY-BOFPYLFWSA-N 364.327 4.645 0 1 FJAF CC(C)=CCOc1ccc(-c2coc3c4c(ccc3c2=O)OCO4)cc1 14811890 KDAFLQGRKPXBKJ-UHFFFAOYSA-N 350.370 4.534 0 1 FJAF biogenic CN1c2cc3c(cc2[C@H]2CCCC(C)(C)[C@H]21)c(C(F)(F)F)cc(=O)n3C 27854105 NJDIGNMRUNIBPJ-ZMZPIMSZSA-N 364.411 4.669 0 1 FJAF COc1cccc(CC2=N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1OC 28121511 ZLPMLZJXFKHTMC-ZRZAMGCNSA-N 372.468 4.731 0 1 FJAF C[C@@H](c1cccs1)N(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 32843180 CJIWJJMKLTZWPN-FXAWDEMLSA-N 367.514 4.848 0 1 FJAF CCO[P@@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(OC)cc21 49052392 QRZCUKJFIZXPBY-HSZRJFAPSA-N 350.738 4.645 0 1 FJAF C=C1C(C)=C(C(=O)Nc2cccc(Cl)c2)C(=O)N1c1cccc(Cl)c1 64256494 XDDAYQPNDDSZMV-UHFFFAOYSA-N 373.239 4.809 0 1 FJAF CCCCC[C@H](C)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCC(=O)O 71789768 LYZHABRCUXYPHQ-GWSKAPOCSA-N 366.542 4.708 0 1 FJAF COC1=CC(c2ccc[nH]2)=N/C1=C\c1[nH]ccc1Cc1ccc(Cl)cc1 72142586 ZAMBWAZDLKGAAQ-NDENLUEZSA-N 363.848 4.961 0 1 FJAF Cc1nn2ccccc2c1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 142271258 VDZMRZFBYKHSTA-UHFFFAOYSA-N 369.472 4.591 0 1 FJAF O=C(Nc1ccccc1Cl)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 166051956 QMWQGBSRNQOLHF-KOMQPUFPSA-N 362.832 4.991 0 1 FJAF O[C@@H]1C[C@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586904227 RZESHMKZFPLFKW-AZUAARDMSA-N 356.425 4.711 0 1 FJAF c1csc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)s2)n1 587023934 SRPUMPXGDADUFR-UHFFFAOYSA-N 355.444 4.576 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587069297 ICCRPVYNECILQU-SNVBAGLBSA-N 371.765 4.659 0 1 FJAF Cc1ccc(NC2(c3nc4cc(C(=O)O)c(F)cc4[nH]3)CCCC2)cc1 587237803 XZTAFTOBYXOASD-UHFFFAOYSA-N 353.397 4.590 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(C)cc3nc1Cl)O2 587379763 KRUCCRNRJHPHGP-GOSISDBHSA-N 352.821 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc4cc(C)ccc4nc1Cl)[C@@H](C2)C3=O 587422794 UPVGSRSPIKAWFB-VBKZILBWSA-N 365.816 4.694 0 1 FJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527330 SXLAQDHIGPLJJP-HXUWFJFHSA-N 362.429 4.604 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2F)N1 587714798 BPJRAOVNHHPWTD-HYORBCNSSA-N 374.175 4.629 0 1 FJAF CCC[C@@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775023 YCZXSEDUYDYOLQ-SGTLLEGYSA-N 363.274 4.561 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCc2ccc(O)c(OC)c2)N1 962963459 ZASXEYGAROWRLE-WAIKUNEKSA-N 364.489 4.654 0 1 FJAF CO[C@@H]1Cc2ccccc2C2(CCC(NCc3ccc(C)cc3C)CC2)O1 1857632585 VZUSSQMIRYIEKX-RZMWZJFBSA-N 365.517 4.776 0 1 FJAF C[C@@H]1CC[C@@]23C[C@@]4(N=NC[C@@H]4CC[C@@H]2[C@@]1(C)CCc1ccoc1)C(=O)O3 2356480086 OJFOBBOSLUSWJP-XKQHGQDBSA-N 356.466 4.565 0 1 FJAF C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc(F)c2)=NO1 12477931 GFRUFHJPQIJUFZ-GOSISDBHSA-N 357.772 4.569 0 3 FJAF C[C@@H]1CCC(=O)N(C[C@@H](C)CSc2ccc(Br)cc2)CC1 36383063 DPYCCRIWLCNQQZ-ZIAGYGMSSA-N 370.356 4.826 0 3 FJAF CC(C)c1ccc(CN2CC[C@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61927556 OMRXLBVJVZJZBX-XMMPIXPASA-N 373.500 4.961 0 3 FJAF CC(C)Oc1ccc(CNC(=O)c2ccc3nc(C(C)C)oc3c2)cc1 8611451 FSFXWLAMYLHBSF-UHFFFAOYSA-N 352.434 4.668 0 1 FJAF CCCCCCO[C@@H](C)[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398534 DTSBTUSKJKTLJH-CQIOCVTLSA-N 352.515 4.967 0 1 FJAF Nc1ccccc1NC(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 29037213 HSSLGYDACJZTFW-UHFFFAOYSA-N 374.469 4.690 0 1 FJAF Cc1ccc2c(c1)[C@@H](N1CCN(C)C(C)(C)C1)C[C@@H]2c1ccc(F)cc1 36238039 QMRDYJDBHVLYNI-IRLDBZIGSA-N 352.497 4.737 0 1 FJAF CCOc1ccccc1-c1nc(CN[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)co1 72185216 KYNKDMSWNOGRRG-WTLGNFPFSA-N 354.494 4.901 0 1 FJAF Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 100644717 NNPNJLVTDNFTKX-CQSZACIVSA-N 367.474 4.629 0 1 FJAF Oc1cccc([C@@]23CCN(CC4CC4)[C@H](Cc4[nH]c5ccccc5c42)C3)c1 100725727 JUOSJPCGOWDYLK-KOSHJBKYSA-N 358.485 4.590 0 1 FJAF COC(=O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1 103239559 CLBSNOQAYFJGKI-UHFFFAOYSA-N 371.477 4.936 0 1 FJAF c1ccc2cc(-c3cnc4ccc(NCc5ccncc5)nn34)ccc2c1 115128491 FEJZJBDPYBAZQL-UHFFFAOYSA-N 351.413 4.557 0 1 FJAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2CC[C@]3(C)C=C[C@]12C3 238759221 BDOAWQRZWHQUEM-CHKNUKQCSA-N 360.494 4.582 0 1 FJAF COc1ccc(C(=O)O[C@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1 238759845 IYDWZZNRGMWKMG-SKWRMQMOSA-N 372.505 4.764 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(-c3noc(-c4c[nH]cn4)n3)cc2)cc1 299860696 GYXWNFDIRHVGCU-UHFFFAOYSA-N 372.306 4.938 0 1 FJAF COc1cccc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586985443 DBYFHXCMAABFAF-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Cc1ccc2c(ccc3nc([C@H]4C=C(c5ccc(Cl)cc5)NO4)[nH]c32)n1 587075621 FTVARQBRWWIWEW-GOSISDBHSA-N 362.820 4.690 0 1 FJAF O=C(CCCc1nc2cc(Cl)nc(Cl)c2[nH]1)c1ccc(Cl)cn1 587082319 OJGPMNMLCLOEAC-UHFFFAOYSA-N 369.639 4.519 0 1 FJAF N[C@@H](N=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144842 CWGPUOAFHIVHSS-NRFANRHFSA-N 360.392 4.684 0 1 FJAF CC[C@H](C(=O)O)n1cc(-c2cc3c4c(cccc4n2)CC3)c2ccccc21 587211527 SKPGHTVXDTXTGR-HXUWFJFHSA-N 356.425 4.991 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccc(Cl)cc1)(C(C)C)[C@@H](C2)C3=O 587424007 WLPMOPSKEQSNOB-UWJYYQICSA-N 356.849 4.734 0 1 FJAF COc1cccc([C@@H]2CCCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587440251 BOFJESJBAGJRDB-YYDVJCTNSA-N 364.441 4.548 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](OCC)C12CCCCC2 587489671 PLUKSUZQNMNZFX-SIKLNZKXSA-N 358.478 4.808 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587553046 FCBXJSRUWQBHIU-SIKLNZKXSA-N 364.372 4.717 0 1 FJAF COC(=O)C(=O)c1c(-c2ccc(Cl)cc2Cl)[nH]c2cccc(F)c12 587632680 HIGQYPKRTDPZBT-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF CCOc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc1C 587778052 IIJMTUFQPYGGDY-UHFFFAOYSA-N 366.646 4.748 0 1 FJAF Fc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1C(F)(F)F 587781390 UTTOQLFDUALRAD-DAXSKMNVSA-N 350.315 4.951 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@H]3C=C[C@H]2C3)N1 587818531 ILOPIXBKEZRLNQ-FPPRRRHASA-N 350.275 4.550 0 1 FJAF CC[C@]12CC[C@H](C[C@]13N[C@H](C)Cc1ccc(F)c(Br)c13)C2 587828817 QEEZBVCGXASWDK-FVEFGIFQSA-N 352.291 4.918 0 1 FJAF C[C@H](CCc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)CC(=O)O 587960658 LNVOFDOBPKGPBJ-SSDOTTSWSA-N 368.277 4.644 0 1 FJAF N#CN1CC(OCc2ccc(Oc3ccccc3)cc2-c2ccccc2)C1 1911573954 BIFMPKUNYXQFNL-UHFFFAOYSA-N 356.425 4.828 0 1 FJAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(C)=O)[C@H](C)[C@@]21C 2356515808 BFGZGYSBSJCPMQ-OVFHRABQSA-N 374.477 4.679 0 1 FJAF Fc1ccc2c(c1)CCC1(CCN([C@@H]3CCc4ccccc4C3)CC1)O2 13472085 QFHXIJAGZCPYPV-OAQYLSRUSA-N 351.465 4.543 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)Nc1cc(Cl)ccc1C(=O)O 13531888 TUTFQHHNIWPGQV-UHFFFAOYSA-N 358.703 4.701 0 1 FJAF COc1cccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc32)c1 13757264 JPXSVEIHSYRVAU-UHFFFAOYSA-N 364.422 4.533 0 1 FJAF CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3ccc(Cl)cc3n12 26286745 VYSOQFHBLYECOM-ZDUSSCGKSA-N 365.868 4.536 0 1 FJAF CC(=O)Oc1c(Cl)cc(Cl)c(Cl)c1C(=O)Nc1ccccc1 28863477 SPLWIXVUUDQBIC-UHFFFAOYSA-N 358.608 4.824 0 1 FJAF CC(C)(C)c1cc(NC(=O)[C@@H]2CCCCN2c2ccc(Cl)cc2)no1 68247297 FXJDMIFQFRNYJV-HNNXBMFYSA-N 361.873 4.623 0 1 FJAF c1ccc(C[n+]2cccc3ccccc32)c(C[n+]2cccc3ccccc32)c1 71294222 OYELVZBEBIBDNI-UHFFFAOYSA-N 362.476 4.665 0 1 FJAF O=C(c1nccs1)N1CCC[C@@H]1c1ccc(-c2cccc(Cl)c2)nc1 72176543 ZDRLSVCSTYWGGZ-QGZVFWFLSA-N 369.877 4.836 0 1 FJAF CC/C=C\c1cc(-c2ccc(S(C)(=O)=O)cc2)n(C2CCCCC2)n1 95553101 IATVQONTHUZVPP-YWEYNIOJSA-N 358.507 4.882 0 1 FJAF CC(C)CCOc1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](C1CCOCC1)N2 95589751 DTQWCHXPSGNTKM-BVYCBKJFSA-N 359.510 4.800 0 1 FJAF O=C(O)c1[nH]c2ccccc2c1CCCOc1cccc(C(F)(F)F)c1 95595952 SACQHKZWXLVRKP-UHFFFAOYSA-N 363.335 4.897 0 1 FJAF c1ccc(CN2CCc3c(ccnc3Nc3cnc4ccccc4c3)C2)cc1 143318713 WVIVDSQVVHCZNX-UHFFFAOYSA-N 366.468 4.932 0 1 FJAF CC(C)=CCc1cc(/C=C\C(=O)O)ccc1OC(=O)CCc1ccccc1 199488810 BJIVLGIZOMJQRT-UVTDQMKNSA-N 364.441 4.831 0 1 FJAF C/C=C(\C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C 238734632 LJMVPNYZXHUHTL-LPDXUMOLSA-N 374.477 4.679 0 1 FJAF CSc1cccc(N=c2[nH]c(-c3nc4ccccc4n3C)cs2)c1 473086387 HOJGVAIATAIMNY-UHFFFAOYSA-N 352.488 4.584 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 586893039 UHRWJMVVEXQPNH-PEBXRYMYSA-N 372.472 4.540 0 1 FJAF Cc1ccc2c3c(cc(-c4ccnc(Cl)n4)nc13)-c1ccccc1C2=O 586992166 FIVKQUNENXQBSS-UHFFFAOYSA-N 357.800 4.865 0 1 FJAF Cc1cc2nc(Cc3csc(NC(=O)c4cccs4)n3)[nH]c2cc1C 587019850 QVFGQNWEVTZIDZ-UHFFFAOYSA-N 368.487 4.541 0 1 FJAF Cc1nn(C)cc1-c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O 587097444 HWPLYLLDQFOMBT-UHFFFAOYSA-N 353.425 4.772 0 1 FJAF Fc1ccc(-c2ccccc2-c2nc3c(S)nc(S)nc3[nH]2)cc1F 587145123 IJBYKRXHZPZCJJ-UHFFFAOYSA-N 372.425 4.543 0 1 FJAF COc1cc(F)ccc1-c1cccc(Cc2nc3cccc(OC)c3[nH]2)c1 587158376 DKLKKHPQFGFLHL-UHFFFAOYSA-N 362.404 4.977 0 1 FJAF CCn1nc(C)c(Br)c1C(=O)c1coc2ccc(Cl)cc12 587276418 OEVQEBDIDADAPL-UHFFFAOYSA-N 367.630 4.605 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(C)c4C)nc1)[C@@H](C2)C3=O 587435106 CJQCRBXLBWTSIJ-CYFREDJKSA-N 371.436 4.863 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OC)c(Cl)cc1F)CC2=O 587465002 DUZQXIWGLHGOFZ-KRWDZBQOSA-N 364.800 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2cc(N)ccc21 587468190 BWVWKEARLKGXLK-XMMPIXPASA-N 371.436 4.816 0 1 FJAF FC(F)(F)Sc1ccc2nc(CCOCc3ccccc3)[nH]c2c1 587565648 GZTKACWKLNUYPF-UHFFFAOYSA-N 352.381 4.934 0 1 FJAF C[C@@]1(c2cc3ccccn3c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589114 UALXTQYBIPTCDN-OFNKIYASSA-N 371.392 4.522 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccn(C)c3c2)N1 587758527 QKOQDTMBIJTADQ-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)cc1O 587787639 WOJGUVDWPLIXBG-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3ccc(Br)cc3[nH]2)CC1 587971057 RTEQGSZMTYRGQI-UHFFFAOYSA-N 369.262 4.755 0 1 FJAF O=C(c1ccccc1)c1cc2c(F)c(F)c(-n3ccnc3)c(F)c2s1 653762740 FKLZUEVDIKNTCS-UHFFFAOYSA-N 358.344 4.735 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccccc1)C(C)C 963042060 ZVLRHUGFDZNNCC-XMMPIXPASA-N 360.501 4.873 0 1 FJAF CCOC(=O)Nc1ccc(NCc2cccc(C(F)(F)F)c2)c(F)c1N 1857539740 ZFESIOMXDNWKKV-UHFFFAOYSA-N 371.334 4.607 0 1 FJAF COc1ccccc1C(=O)CC(=O)c1ccc(OCc2ccccc2)cc1 1857564616 HAXQNDHSIIZRME-UHFFFAOYSA-N 360.409 4.730 0 1 FJAF CC(C)c1ccc(NC(=O)c2csc([C@@H](O)c3ccccc3)n2)cc1 1857602835 LKVXGHYKKXMUBQ-SFHVURJKSA-N 352.459 4.601 0 1 FJAF Cc1ccc([C@@H](C)Nc2ccc3c(c2)N(C2CC2)[C@H](C)C(=O)N3C)c(C)c1 1857751387 SVQCMDHUVKEZPE-IAGOWNOFSA-N 363.505 4.810 0 1 FJAF COC(=O)CC[C@@H]1[C@@H]2CCC[C@@]23CC[C@H]2CN3C[C@H](C(C)C)CC[C@]21C 2356545234 HJDGISYATUXIDQ-PCSPUAFNSA-N 361.570 4.893 0 1 FJAF COc1ccc2c(c1OC)[C@@H](C)N(C)c1c-2ccc2cc3c(cc12)OCO3 13378554 NDRJOHZGHCUTCQ-GFCCVEGCSA-N 363.413 4.764 0 1 FJAF endogenous,in-man CCN(CC)CCCCN1C(=O)Nc2ccccc2[C@H]1c1ccccc1 13553568 HVACNPZMKCTZCT-OAQYLSRUSA-N 351.494 4.746 0 1 FJAF COc1cc([C@H](C)OC(=O)CC(C)C)cc(OC)c1OCC=C(C)C 14817847 HRCVYSDVMNGGHJ-HNNXBMFYSA-N 350.455 4.699 0 1 FJAF biogenic C/C=C1\C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26483962 NQTJYLUENOWMAI-MHRSRKGSSA-N 352.474 4.824 0 1 FJAF CC[C@](C)(CCO[C@H](CO)COC(=O)C[C@@](C)(CC)C(C)C)C(C)C 87723358 BGFPMEIULZPARM-HMXCVIKNSA-N 358.563 4.832 0 1 FJAF CN(C)c1ccc(-c2nnc3n2-c2ccccc2Nc2ccccc2-3)cc1 96173952 UWEGTRVBWDOQNR-UHFFFAOYSA-N 353.429 4.724 0 1 FJAF Cc1nc2ccc(NC(=O)N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)cc2nc1C 100295453 FFWJEVKOXXFKMM-HRAATJIYSA-N 352.482 4.679 0 1 FJAF Cc1ccccc1NC(=O)c1ccccc1OCc1ccc(Cl)nc1 103169039 XFDHGUHTNRNPIX-UHFFFAOYSA-N 352.821 4.875 0 1 FJAF O=C(Nc1ccc([C@H]2CCNC2)cc1)Nc1ccc(Cl)c(Cl)c1 117718187 UETZJIMFHAMSTA-LBPRGKRZSA-N 350.249 4.714 0 1 FJAF Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@H]4CCC(F)(F)C4)n3)cc12 146460333 CWXBQQXGEWNTLL-ZFWWWQNUSA-N 372.419 4.599 0 1 FJAF Clc1ccc2c(NCCNc3nc(Cl)cc(Cl)n3)ccnc2c1 204928050 FHVKNQBDNDFRGH-UHFFFAOYSA-N 368.655 4.509 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c1 586895076 NPTPDJRHHHNKLL-UHFFFAOYSA-N 354.331 4.807 0 1 FJAF Brc1cncc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023880 REAZMEBSGGZGAX-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF Cc1c(Br)ccc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 587056115 HEWXHOWOZAELQT-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Cc1c(F)cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)cc1F 587133024 OELYZMBAOLFMRD-UHFFFAOYSA-N 358.573 4.627 0 1 FJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2nc(C(C)(C)C)ccc2[nH]1 587149670 PGMPGZXUEGTPMN-UHFFFAOYSA-N 367.403 4.601 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1 587246626 DMKDOYHAUOOIJF-UHFFFAOYSA-N 362.355 4.628 0 1 FJAF Nc1ccc(C(=O)CCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587252081 VNQCSBFIDDCREH-UHFFFAOYSA-N 367.758 4.633 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccnc(C(F)(F)F)c1)CC2=O 587464659 VJMAHMPOEFRXOD-SFHVURJKSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cccc(OC)c3o1)CC2=O 587483116 RGQBCVRCGWLTLR-JOCHJYFZSA-N 366.413 4.980 0 1 FJAF Cc1cnc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536087 QYAJPAQXUBKHPB-LJQANCHMSA-N 364.470 4.828 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603810 RUCWXFOHJJTOLO-MYMNTCDXSA-N 362.425 4.715 0 1 FJAF CC(C)(C)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604878 ZTLVJUODWXVYMD-XMSQKQJNSA-N 352.430 4.939 0 1 FJAF CCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611836 KCBKYFUNTFVEPM-PXNSSMCTSA-N 367.426 4.504 0 1 FJAF COc1cccc(NC(=O)c2c(-c3cccnc3)[nH]c3cccc(F)c23)c1 587634692 BDFCRLOGOVBHSY-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF CCOc1ccccc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587779838 GJYODEUYTMKBIR-UHFFFAOYSA-N 354.303 4.699 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H](C3CC3)C2)N1 587817622 MRIBNJDAWOGAPD-SUFBMKPHSA-N 352.291 4.918 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ncc2ccccc2n1 587862973 NRXCFJJNBKQYFZ-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc2ncccc12 587868473 MEUKNGNJQBDJLR-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF FC(F)(F)Oc1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587950809 NPSDSQGQNZLZPD-UHFFFAOYSA-N 366.383 4.947 0 1 FJAF O=C1CCc2cc3nc(Cc4ccccc4-c4ccccc4)[nH]c3cc2N1 587959260 PLEMKIBSVGXQCH-UHFFFAOYSA-N 353.425 4.705 0 1 FJAF CC(C)(C)c1cc2nc(-c3cc(Cl)c(O)cc3O)sc(=O)c2s1 653717886 TVVLRABUDZUQRE-UHFFFAOYSA-N 367.879 4.747 0 1 FJAF Oc1ccc2c(c1)[C@](c1ccccn1)(c1cccc(Cl)c1Cl)NCC2 963331743 ZSQJBNAXROIGHD-FQEVSTJZSA-N 371.267 4.532 0 1 FJAF CCOc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1 1772608332 IYMYXPYGXAUPFM-GOSISDBHSA-N 353.443 4.815 0 1 FJAF CCc1ccccc1-c1cccc2cc(CNC[C@H](C)C(=O)O)sc12 1772625832 XMYKJYXHQVRWEV-AWEZNQCLSA-N 353.487 4.941 0 1 FJAF Brc1cccc(Nc2ncc3c(n2)-c2cccnc2SC3)c1 1857556073 UWVMQLBQZFYFJG-UHFFFAOYSA-N 371.263 4.650 0 1 FJAF Cn1cc(-c2cnc3cnc(-c4ccccc4Oc4ccccc4)cn23)cn1 1857598562 YETLTVOTLQRKMN-UHFFFAOYSA-N 367.412 4.589 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]23C)[C@@H](OC)O1 2356770657 DDLXKCMOPRPBNK-DESGBWMDSA-N 366.542 4.902 0 1 FJAF CC(C)N(Cc1cncc(-c2cccnc2)c1)C(=O)c1cc2ccccc2o1 2382228220 GNVKGXLPAWTQQS-UHFFFAOYSA-N 371.440 4.941 0 1 FJAF CC(C)Oc1cccc(-c2cn3c(-c4ccc5c[nH]nc5c4)cnc3cn2)c1 2382228601 IMBOBZVBGJTCPG-UHFFFAOYSA-N 369.428 4.727 0 1 FJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@H]1C(=O)N(C)C 4295589 PQXKPWPKHQGQIL-LEWJYISDSA-N 352.478 4.942 0 1 FJAF COc1cc2ccnc(Nc3ccc(Br)cc3)c2cc1OC 13800943 ZRGBWXRNEGWREH-UHFFFAOYSA-N 359.223 4.758 0 1 FJAF Brc1ccc([C@@H](OCCCc2c[nH]cn2)c2ccccc2)cc1 26151750 JBDSWZMJZZCWSI-IBGZPJMESA-N 371.278 4.911 0 1 FJAF CC(=O)c1cc2oc(-c3coc4cc(C(C)=O)c(O)cc34)cc2cc1O 28639548 KTRPUEYGIHVSCZ-UHFFFAOYSA-N 350.326 4.662 0 1 FJAF CCNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063294 HVHPGPPBRHUXAR-UHFFFAOYSA-N 355.441 4.501 0 1 FJAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1ccc(F)cc1 35190700 IPVZNGWMVKNQOZ-UHFFFAOYSA-N 371.843 4.602 0 1 FJAF OC(c1cccnc1)(c1ccc(Cl)cc1F)c1ccc(Cl)cc1F 72101430 VXXKOTRIYLRDOA-UHFFFAOYSA-N 366.194 4.951 0 1 FJAF COc1cc(/C=C/c2ncc(-c3ccccc3)[nH]2)ccc1-n1cnc(C)c1 95576692 RCLLKUOOBHJCTE-PKNBQFBNSA-N 356.429 4.750 0 1 FJAF CS(=O)(=O)c1ccc(/C=C(\c2ccccc2)c2ccc(F)cc2)cc1 103186574 DMWMQMPLKAHFNJ-RCCKNPSSSA-N 352.430 4.818 0 1 FJAF CC1(C)[C@H](/C=C/Cl)[C@H]1CC(=O)OCc1c(F)c(F)c(F)c(F)c1F 103215983 CPFMDEXFPXGBNE-HUGTUPKYSA-N 368.729 4.840 0 1 FJAF CC[C@@H](Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251348 MPLPTTLNPDVGGI-FQEVSTJZSA-N 359.535 4.528 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC 103529969 MXSOFCRKPKSMBX-LAFOYAEKSA-N 363.417 4.546 0 1 FJAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 253635072 BLOLSIOUOOBUTD-KHKGMDICSA-N 371.527 4.516 0 1 FJAF CC(=O)N[C@H]1CC[C@H](Nc2nc(-c3ccccc3)cc3ccccc23)CC1 299810513 BTNQTXMOPPXORA-MXVIHJGJSA-N 359.473 4.761 0 1 FJAF Cc1cccc(N(C)C(=O)c2ccc(-c3cccc(C(=O)O)c3)s2)c1 299820768 CWQYLNJOZLRIDZ-UHFFFAOYSA-N 351.427 4.698 0 1 FJAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586991734 PPGCTCSRWWGXQS-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF COc1cccc(-c2ccc(-c3nc4ccc(OC)nc4[nH]3)c(Cl)c2)c1 587052638 ZFVYZFLHJCRLFM-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 587066927 VSKCPYGBJCPQKX-UHFFFAOYSA-N 369.783 4.820 0 1 FJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)CCCC3 587079676 KDMANSWWBPCIPT-QGZVFWFLSA-N 364.880 4.819 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587117990 MQLRYNMNSSUEKA-UHFFFAOYSA-N 368.668 4.654 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(F)c(F)c(F)c3[nH]2)c(N)cc1F 587136315 NFCWYMPUWZZIFB-UHFFFAOYSA-N 353.319 4.546 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)C(F)F)cc1)O2 587380793 ATVOZTNKSZNSSX-OAHLLOKOSA-N 369.314 4.520 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(-c3ccccc3)sc1N)O2 587410421 MNUVNDWFGZIQFZ-NRFANRHFSA-N 364.470 4.769 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)cc1C(F)(F)F)[C@@H](C2)C3=O 587423437 YJVWEVAORQFNJY-KBXCAEBGSA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc3c(c1)CCO3)CC2=O 587491723 PIUUWLVSEIHTRN-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(C1CCOCC1)CC2=O 587493710 VDXNDKZZIOABCE-HSZRJFAPSA-N 366.457 4.632 0 1 FJAF CC[C@]1(c2cc(C(=O)O)ccc2F)CC(=O)c2ccc3c(c2O1)CCCC3 587509534 ZSHOXAZIGVKFGO-JOCHJYFZSA-N 368.404 4.673 0 1 FJAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)nc2ccc(Cl)cc12 587652029 UJIXOWVCANEYCH-UHFFFAOYSA-N 356.212 4.549 0 1 FJAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)c(C)c1 587656767 NLDGTZNNOVWHHV-UHFFFAOYSA-N 362.379 4.948 0 1 FJAF CC1=COc2ccccc2[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587840956 KZMZGAXNPXZMOI-BUXKBTBVSA-N 374.253 4.662 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccccc1 587859247 UMBGYHJTDXOMTL-UHFFFAOYSA-N 361.228 4.944 0 1 FJAF COc1cccc(C2(c3nc4ccnc(Br)c4[nH]3)CCCC2)c1 587930502 HBVHJLJQBVCUTK-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CCC(=O)OCC)c1ccccc1 963221322 ADXZBFYCWAQGKJ-CYFREDJKSA-N 365.517 4.930 0 1 FJAF CCCCC[C@@H]1CC[C@@H]2[C@H](CC(=O)[C@H]2CC=CCCCC(=O)OC)O1 2356437033 FCMFHXNVRJAYJM-LXZJYRNTSA-N 350.499 4.609 0 1 FJAF C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@@H](C)c1ccccc1 2356631562 GLOQOWHSMRSGLK-STQMWFEESA-N 370.836 4.539 0 1 FJAF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@]1(C)CCC(=O)O1 2356785307 AABSRFLRNFXOQB-OAQYLSRUSA-N 350.499 4.943 0 1 FJAF CC(C)C[C@H](N[C@@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F)C(=O)O 2382253504 AEMSIGHGSFJCRJ-RYUDHWBXSA-N 358.187 4.686 0 1 FJAF O=C(NCCC1=CCCCC1)c1nc(C(F)(F)F)[nH]c1-c1ccccc1 72139535 ZYVCRXASTHFMOQ-UHFFFAOYSA-N 363.383 4.716 0 3 FJAF CCCCNC(=O)c1ccc2c(c1)[C@H](NCc1ccccc1)CC(C)(C)O2 2486532 LWTUKGWVKBXMIX-HXUWFJFHSA-N 366.505 4.609 0 1 FJAF Clc1ccc([C@@H](CCNCCCCc2c[nH]cn2)c2ccccn2)cc1 13490236 YZQOOIBEGBPDFU-HXUWFJFHSA-N 368.912 4.593 0 1 FJAF Cc1cccc(Cl)c1C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1 13684738 AVFNQIJRKYRGOK-QGZVFWFLSA-N 365.304 4.725 0 1 FJAF Nc1noc2cccc(-c3ccc(NC(=O)Nc4ccccc4F)cc3)c12 14975354 TZOUNCJSFSDDCR-UHFFFAOYSA-N 362.364 4.860 0 1 FJAF CN(C)CCN(C)CCCCOc1ccccc1/C=C/c1ccccc1 27732460 VXQVLMLQLUTREG-FOCLMDBBSA-N 352.522 4.509 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(CC)CC 28237185 PRAPITNKKQIFOR-IRXDYDNUSA-N 357.325 4.999 0 1 FJAF Cc1nc2ccc(N3C(=O)CS[C@H]3c3cccc4ccccc34)cc2[nH]1 28652050 SHTVWORPQVNETG-NRFANRHFSA-N 359.454 4.803 0 1 FJAF O=c1oc2ccccc2c2c1[C@@H]1O[C@@](c3ccsc3)(Cc3ccccc31)O2 66138770 SEGJAJKMRUZQIS-KNQAVFIVSA-N 374.417 4.762 0 1 FJAF Clc1ccc(Nc2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1 73198687 AATZLXPQORFIHA-UHFFFAOYSA-N 362.245 4.903 0 1 FJAF CC(C)Cn1c(Nc2ccccc2C(C)C)nc2cc(C(N)=O)ccc21 82191654 AKDSFYPBFFKWDF-UHFFFAOYSA-N 350.466 4.658 0 1 FJAF CSc1nc(/C=C/c2cccc(O)c2)cc(/C=C/c2cccc(O)c2)n1 84690443 YIPNAUHAFYXREV-GFULKKFKSA-N 362.454 4.951 0 1 FJAF Cc1cccc(-c2nc(-c3ccc([S@@](C)=O)cc3)[nH]c2-c2ccncc2)c1 96923865 MQMPXSFPENXIAB-MHZLTWQESA-N 373.481 4.852 0 1 FJAF COc1ccc(CN[C@@H](C)c2cc3c(cc2OC)OC(C)(C)C=C3)cc1 96932059 GQIDGKAMQAXVJL-HNNXBMFYSA-N 353.462 4.739 0 1 FJAF CC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 105481270 QFCVBBVIEYWCNL-KMTJZVEASA-N 358.441 4.584 0 1 FJAF O=C(c1cccc(Cl)c1Cl)N1CCc2c(-c3ccccc3)n[nH]c2C1 225990967 PVQGLUTXDLGONX-UHFFFAOYSA-N 372.255 4.582 0 1 FJAF CC(=O)O[C@H]1CC=C2Cc3occ(C)c3[C@@H](OC(=O)CC(C)C)[C@]2(C)[C@H]1C 238773990 HKEONPHWSUCJPX-GAWUGPNSSA-N 374.477 4.679 0 1 FJAF CCCC(=O)Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(C)[C@@H](C2)[C@H]1C 299849073 PJMLJWJSJAJPRN-UWSIMGETSA-N 363.501 4.575 0 1 FJAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2ccc3ccccc3c2)CCC1 473112624 CXVBTCYMIYWYQN-UHFFFAOYSA-N 367.832 4.965 0 1 FJAF COC(=O)c1cccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c12 586897037 VXFQCNJJFZHTDW-UHFFFAOYSA-N 352.434 4.969 0 1 FJAF O=C1c2ccccc2-c2cc(-c3n[nH]c4ccccc34)nc3ccc(O)c1c23 586989929 SUFZNHOXOBBZEI-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF COc1cnc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1Cl 587064675 MBQNAYDZYPSPOG-UHFFFAOYSA-N 366.646 4.666 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587111920 CCNDSZKEVQUVFV-HWPZZCPQSA-N 362.355 4.652 0 1 FJAF Cc1ccnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587121571 COWLOONNTPMYDL-UHFFFAOYSA-N 353.369 4.598 0 1 FJAF Cc1cc(Br)cc2nc(CCc3cc(F)c(F)c(F)c3)[nH]c12 587139596 LCJMLUVYWLMWAR-UHFFFAOYSA-N 369.184 4.836 0 1 FJAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354699 RAXBCYVSCJJNHH-NYTUBTRBSA-N 364.416 4.695 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cc(Br)ccc31)O2 587372130 OBEFICZOOJIYNG-LJQANCHMSA-N 372.262 4.537 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCc1ccccc1)O2 587399926 NNYBCYOJCDYSHW-QFIPXVFZSA-N 359.425 4.863 0 1 FJAF CO[C@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399965 LEILZVZIXHSJPD-RPWUZVMVSA-N 373.452 4.826 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccccc3C)o1)O2 587411351 IMNXOHDKHAXCEN-OAQYLSRUSA-N 363.413 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(S[C@H](C)CC)nc1)CC2=O 587492232 NTXKRMBQNZAFDD-XIKOKIGWSA-N 372.490 4.732 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(C)cc(C)c31)CC2=O 587494668 ZMNDYRNOQDQPEO-JOCHJYFZSA-N 352.430 4.605 0 1 FJAF C[C@]1(c2ccc(Br)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587495260 CMMUWIPMDQPRFO-LJQANCHMSA-N 372.262 4.604 0 1 FJAF Cc1ccc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602074 IQRQVONWOPZAFX-NFBKMPQASA-N 360.409 4.886 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1C1CCC2(CC1)CC2 587602961 KFYULLXZHZXIRR-NQIIRXRSSA-N 350.414 4.693 0 1 FJAF Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611586 GQVGVJBEQAQWSS-XLIONFOSSA-N 352.411 4.639 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)cc(F)cc2F)N1 587719595 LJKVINMBUWIVIL-HYORBCNSSA-N 374.175 4.629 0 1 FJAF CCN(CC)CC(C)(C)[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743997 YLVYNMJNRQKHLB-SJKOYZFVSA-N 371.338 4.532 0 1 FJAF CCCCc1ccc([C@@]2(c3cccc(C)n3)NCCc3ccc(O)cc32)cc1 963350382 BIBCVXRXWHEPHN-RUZDIDTESA-N 372.512 4.876 0 1 FJAF CN(C/C=C/c1cccc(C(F)(F)F)c1)Cc1ccc2c(c1)OCCO2 1857538586 ZOKSXKTZYUVLQP-HWKANZROSA-N 363.379 4.622 0 1 FJAF CCCN1C(=O)c2n[nH]c(C(C)C)c2[C@H]1c1cccc(C(F)(F)F)c1 199729303 COSJZTAOENKWNP-MRXNPFEDSA-N 351.372 4.507 0 3 FJAF O=C(OC1=C(c2ccccc2)Oc2ccccc2-n2cccc21)N1CCC1 13491313 SRKZOWMKFZJRPN-UHFFFAOYSA-N 358.397 4.538 0 1 FJAF COc1cc(OC)cc([C@H]2CCc3c(cc(O)c(CC=C(C)C)c3O)O2)c1 14762567 LLRPPTLVKGWPCU-HXUWFJFHSA-N 370.445 4.690 0 1 FJAF biogenic COc1cc(-c2ccc(-c3ccc(C(=O)O)cc3)cc2)cc(OC)c1OC 28456913 WLORPMJSHOIBGD-UHFFFAOYSA-N 364.397 4.745 0 1 FJAF CCC(=O)N1CCc2c([nH]c3ccc(CC)cc23)[C@H]1c1cccc(OC)c1 71295069 JDZQFHYQFFEPOB-HSZRJFAPSA-N 362.473 4.623 0 1 FJAF Fc1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 72182354 QEDNQSMXYKNYSK-UHFFFAOYSA-N 350.315 4.789 0 1 FJAF Cc1cnc(-c2cnc(NCc3ccccc3F)nc2-c2ccccc2)o1 82163268 ARWURMGSIHCPNX-UHFFFAOYSA-N 360.392 4.858 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)C2 586885347 MDKSRTPZPNFKFC-BZSNNMDCSA-N 358.441 4.781 0 1 FJAF Oc1cccc([C@H](O)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586891938 QGAUDEJUUZBXEV-IBGZPJMESA-N 373.437 4.627 0 1 FJAF Fc1cc2nc(-c3n[nH]c4cc(OC(F)(F)F)ccc34)[nH]c2cc1Cl 587126660 FCNTVQFOIZKCFW-UHFFFAOYSA-N 370.693 4.797 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587189443 CDLOVTJEWOOUJD-HNNXBMFYSA-N 372.856 4.568 0 1 FJAF Cc1nc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(S)n1 587209118 JXCDZDZSSANRKL-UHFFFAOYSA-N 369.449 4.809 0 1 FJAF Ic1ccc2c(c1)Cc1c-2nc2cccc3c2c1CC3 587214112 WNEZXPXJDQYCED-UHFFFAOYSA-N 369.205 4.509 0 1 FJAF COC(=O)Nc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587244251 ZBMJMJSWTQFLFB-UHFFFAOYSA-N 373.412 4.987 0 1 FJAF COc1ccc(-n2ncc(C(=O)c3coc4ccc(Cl)cc34)c2C)cc1 587276758 UZQUCEJEKXZBKP-UHFFFAOYSA-N 366.804 4.820 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)[C@H]1c1ccc(F)cc1 587354222 PWIBXDMPSLVCRL-QJZMQEHUSA-N 364.416 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC(C)=O)cc1)CC2=O 587492249 NXAYGKWXVAYFMF-LJQANCHMSA-N 356.443 4.690 0 1 FJAF O=C1C[C@@H](c2c[nH]c3nc(Cl)ccc23)Oc2c1ccc1c2CCCC1 587499899 NYEPORSAKGKBET-KRWDZBQOSA-N 352.821 4.802 0 1 FJAF O=C1C[C@H](c2cccn2CCc2ccncc2)Oc2c1ccc1c2CCCC1 587511243 FOOSHXKSKMKSGN-HSZRJFAPSA-N 372.468 4.711 0 1 FJAF CCOC(=O)[C@H](C1CCCC1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521393 CSRSLDDAJZSOIC-NZQKXSOJSA-N 370.489 4.659 0 1 FJAF CC(C)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587523194 NYMNIVJIEWTUKP-QFIPXVFZSA-N 366.457 4.551 0 1 FJAF Cc1cccc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603455 OSMUAZXGCLNWQS-OFNKIYASSA-N 360.409 4.886 0 1 FJAF Fc1cccc2[nH]c(-c3ccccc3Br)c(-n3ccnc3)c12 587632067 DCLICHKQVVLJJA-UHFFFAOYSA-N 356.198 4.922 0 1 FJAF Cc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725583 FDXYSZDQRVULGE-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]2c2ccccc2)N1 587817797 BCCRBRNUHNAANG-KPAZRMRSSA-N 360.270 4.895 0 1 FJAF Cc1c(F)ccc2c1[C@@](c1ccncc1)(c1ccc(Cl)cc1)NCC2 962093895 QQSGVDISRFYJOO-NRFANRHFSA-N 352.840 4.620 0 1 FJAF C[C@]1(Cc2ccccc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716793 WDNUPRAZSHPSKH-IERDGZPVSA-N 359.485 4.786 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(F)c(F)cc1Cl 963045457 FVNHAWCQGAHCIV-HXUWFJFHSA-N 374.818 4.584 0 1 FJAF CCOc1cc(OCC)cc([C@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963092931 BBUIGALFORFZFY-WMZHIEFXSA-N 369.480 4.907 0 1 FJAF CC(=O)OCC1=C2C(=O)O[C@@H](CC(C)=CCC1)[C@@H]2[C@@H](C)CCC=C(C)C 2356721315 AGPUEDODDFNEDE-VDGAXYAQSA-N 360.494 4.900 0 1 FJAF CC(C)CNc1nccc(=NCc2ccc(-c3ccc(Cl)cc3)s2)[nH]1 2382248783 JXXPSVDRILRXEI-UHFFFAOYSA-N 372.925 4.960 0 1 FJAF C[C@@H]1C[C@@H](C)CN([C@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)C1 72138609 KJJLZXFTIQHXNU-YVHKJVDXSA-N 368.521 4.901 0 3 FJAF CC1(C)CNCc2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21 13475198 RWLRSQSRJNWRJK-UHFFFAOYSA-N 361.276 4.994 0 1 FJAF COc1ccc2c(c1)cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588891 YVHGTJBUUUTIDE-UHFFFAOYSA-N 350.201 4.703 0 1 FJAF COc1cc2nccc(Oc3cccc(Br)c3)c2cc1OC 13859503 OVJMXMWWASQPSL-UHFFFAOYSA-N 360.207 4.807 0 1 FJAF in-vivo COc1ccc2c(Cc3ccc(C(C)=O)cc3)ccc([C@H](C)C(=O)O)c2c1 26643075 SJTSWLBTIQXSJZ-AWEZNQCLSA-N 362.425 4.830 0 1 FJAF CS(=O)(=O)c1ccc(/C(=C/c2ccc(F)cc2)c2ccccc2)cc1 28126591 BDWYSYFYONHNGL-RCCKNPSSSA-N 352.430 4.818 0 1 FJAF CCOC(=O)[C@H](CC/C(=C/CCc1ccc2c(c1)OCO2)CC)C(=O)CC 34075011 KKYNALKLIIANAU-XSZFBFBBSA-N 374.477 4.623 0 1 FJAF Cc1c(Sc2ccc(Cl)cc2)c2c(Cl)nccc2n1CC(=O)O 34506060 XEYDGQLGRXJVCH-UHFFFAOYSA-N 367.257 4.887 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CCC(c3ccccc3)CC2)c1Cl 40848351 YZPPCYKOOYGHSH-UHFFFAOYSA-N 364.880 4.884 0 1 FJAF CCCCCn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 82186047 QSWCZESLIYXCAF-UHFFFAOYSA-N 353.445 4.645 0 1 FJAF COC1=CC(c2cc3cc(Br)ccc3[nH]2)=N/C1=C\c1ccc[nH]1 95557404 WPWHOLNDAGSQAT-MFOYZWKCSA-N 368.234 4.633 0 1 FJAF COc1ccccc1CCNc1nc2ccc(C(F)(F)F)cc2s1 169307229 IKYAXXKKACEBRW-UHFFFAOYSA-N 352.381 4.978 0 1 FJAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 204750752 SOXOMWQCZJSTNP-DYVFJYSZSA-N 350.397 4.779 0 1 FJAF CCOC(=O)[C@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](C)C1 587108233 XPNDQGNNCPLTTI-ZIAGYGMSSA-N 371.436 4.675 0 1 FJAF Cc1csc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587375268 LZQPDFJFNPJPPF-XLIONFOSSA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1cccs1)O2 587384008 IUIFQMMSIWTAON-HXUWFJFHSA-N 353.418 4.687 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cccnc3)s1)CC2=O 587494866 MHMFUMFWPJHEHY-QGZVFWFLSA-N 366.442 4.570 0 1 FJAF C[C@@]1(CC(=O)NC2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587509399 CMNJQFYBCQCRIK-QHCPKHFHSA-N 369.505 4.518 0 1 FJAF CC1(C)C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603598 OBXGTTKOQNPNOH-GBXCKJPGSA-N 372.420 4.931 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccc2F)N1 587730746 XYPOZOZBMDAHTO-BZNIZROVSA-N 366.249 4.935 0 1 FJAF CC1=COc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587844648 XTINRGVSHXXADL-HXPMCKFVSA-N 374.253 4.662 0 1 FJAF Cc1cccc([C@@]2(CCCC(=O)O)c3c(F)cccc3C[C@@H]3CCCN32)c1 963095066 CDWYZJUXEUAXGK-CVDCTZTESA-N 367.464 4.653 0 1 FJAF C[C@]1(C2(Cl)CC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832374 OYCNWMWTGXYXFT-NRFANRHFSA-N 366.892 4.879 0 1 FJAF COc1ccc(-n2c([C@H](OC(C)(C)C)C(=O)O)c(C)c3ccccc32)cc1 1857575876 PDVIKDBXKUUQAM-FQEVSTJZSA-N 367.445 4.888 0 1 FJAF FC(F)(F)c1cccc(-c2nc3cc(Nc4ccccn4)ncc3[nH]2)c1 1857645534 TUWNHEQZNJWDLV-UHFFFAOYSA-N 355.323 4.782 0 1 FJAF C[C@@H](c1ccc(Cl)cc1F)N1CCC(n2c(O)nc3ccccc32)CC1 1857754742 ZJYBRCLHEUTJTI-ZDUSSCGKSA-N 373.859 4.933 0 1 FJAF CCC=CCC=CC[C@H](O)C=CC=CC=C[C@H](O)CCCCCC(=O)O 2356596744 QWOUVGWCGKEVEB-SFTDATJTSA-N 362.510 4.715 0 1 FJAF C[C@@](O)(c1cccc(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61898163 JDLHGIXSTMHISP-HXUWFJFHSA-N 350.418 4.753 0 3 FJAF O[C@H](c1ccc(F)c(F)c1)c1nc(-c2cccc3cccnc23)cs1 61905505 KTEOQQQGRBQAPK-GOSISDBHSA-N 354.381 4.718 0 3 FJAF CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 2564647 JVXLQGKEDVFQKL-BPIQYHPVSA-N 374.521 4.624 0 1 FJAF biogenic CN(C(=O)C1c2ccccc2-c2ccccc21)[C@H]1CCCC[C@@H]1N1CCCC1 26737697 FVLLJPBVZURRBJ-GOTSBHOMSA-N 374.528 4.664 0 1 FJAF Nc1c(Cc2ccc(Cl)cc2)nc2c3c(ccc2c1C(=O)O)CCCC3 35087090 XANOJWALLPEXBI-UHFFFAOYSA-N 366.848 4.638 0 1 FJAF CCCCN1CCN(C2=Nc3cc(Cl)ccc3Nc3ccccc32)CC1 45391115 JGRAVBMTGBCFBR-UHFFFAOYSA-N 368.912 4.893 0 1 FJAF COc1ccc(-c2nc(-c3ccc(OC)c(OC4CCCC4)c3)no2)cc1 72176019 SSZJJNJRGVJRAI-UHFFFAOYSA-N 366.417 4.742 0 1 FJAF CCOC(=O)Cc1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894355 AJLFGIDAQKEGJJ-UHFFFAOYSA-N 374.525 4.714 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587026304 BTZGMDNPQPFHBX-UHFFFAOYSA-N 364.352 4.592 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3nc(O)[nH]c3cc2[nH]1 587112891 IBSQYYJDAIVKTI-VIFPVBQESA-N 360.339 4.510 0 1 FJAF Fc1cc(Br)cnc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587154768 DTAJDZCTXLYIJW-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Br)c1)(C1CC1)O2 587378546 VFDUBUINCSJBRO-LJQANCHMSA-N 372.262 4.610 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCc1ccccc1)O2 587399924 NNYBCYOJCDYSHW-JOCHJYFZSA-N 359.425 4.863 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(O)c(OCC3CC3)c1)CC2=O 587482541 UHBFJOXDIMDNGJ-FQEVSTJZSA-N 368.429 4.546 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2N=O 587505404 MALGNQQUAFEIHQ-OJWCNPDFSA-N 353.462 4.861 0 1 FJAF CCOCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521515 DCARRIDDMWOJTJ-OAQYLSRUSA-N 352.430 4.645 0 1 FJAF CCCC[C@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525636 QOAKWHKGCQIMRG-XMSQKQJNSA-N 358.478 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@@H](C)c3ccccc32)N1 587818359 QWSGEFPANYPBJX-HNYWDRBLSA-N 360.270 4.873 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3nnc(-c4ccccc4)n3C3CC3)n1)O2 587874712 IUAAQQCWZIUCRD-UHFFFAOYSA-N 359.364 4.378 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc(C(=O)O)ccc4[nH]3)cc2)cc1OC 587928771 KSBMKVLYWCZRHO-UHFFFAOYSA-N 374.396 4.612 0 1 FJAF CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1 653693421 HAXCDDVHPDSDAX-UHFFFAOYSA-N 351.431 4.508 0 1 FJAF COc1ccc(NC(=O)C(=O)c2cn(C(C)C)c3ccc(Cl)cc23)cc1 653786507 HYRJYKZYDLIFCE-UHFFFAOYSA-N 370.836 4.706 0 1 FJAF O=C(c1noc2ccccc12)N1CCC(c2ccccc2C(F)(F)F)CC1 1857619099 YSTBJEKEULXPGL-UHFFFAOYSA-N 374.362 4.866 0 1 FJAF COc1cc(-c2c(-c3ccccc3)cc(O)c3c(O)cccc23)oc(=O)c1 2356324365 QQSGEWCGGZNFHC-UHFFFAOYSA-N 360.365 4.547 0 1 FJAF Cc1c(-c2nc(OCCN3CCCC3)c3ccccc3n2)oc2ccccc12 2382224041 BBGVGIOANPNYIJ-UHFFFAOYSA-N 373.456 4.826 0 1 FJAF COc1cc(OC)c([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC 2382247089 MCHVUYOHANPNAG-NHOKMAFPSA-N 352.446 4.707 0 1 FJAF Cc1cc(Br)cc(COCC2(c3ccccc3)CCNCC2)c1 13781983 SSQGNSUWMMJHRK-UHFFFAOYSA-N 374.322 4.596 0 1 FJAF CCOP(=O)(CCCCCCOc1c(OC)cccc1OC)OCC 27757758 XKMIELFAOFHGJO-UHFFFAOYSA-N 374.414 4.909 0 1 FJAF CCOc1ccc(OCC)c(Nc2cc(C)nc3ccc4[nH]cnc4c23)c1 39214866 IABBINJXXXQCFP-UHFFFAOYSA-N 362.433 4.961 0 1 FJAF O=C(CC1CCCCC1)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1 40392937 HRACJZOSAUAQQQ-HNNXBMFYSA-N 354.393 4.609 0 1 FJAF Fc1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(F)cc3)C2)cc1 45357516 NZVBGJYITVMAHM-PMACEKPBSA-N 358.476 4.651 0 1 FJAF Fc1ccccc1NCn1nc(-c2ccc3ccccc3n2)oc1=S 95594123 GTZHICFKIPBKDW-UHFFFAOYSA-N 352.394 4.629 0 1 FJAF O=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(C(=O)O)c1 95604226 KMBNSFUPPWYBSK-UHFFFAOYSA-N 374.440 4.729 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1cccs1 104111307 IVDVMESICNQVCV-CYBMUJFWSA-N 359.476 4.570 0 1 FJAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 299820271 CYFCTSATGJGIQC-KSSFIOAISA-N 364.424 4.838 0 1 FJAF C[C@@H](Nc1ncnc2sc(Br)cc12)c1ccc(F)cc1 299866230 VLFUENOYRUQMGT-MRVPVSSYSA-N 352.232 4.766 0 1 FJAF Cc1oc2c(c1-c1nc3cc(F)cc(C(F)(F)F)c3[nH]1)C(=O)CCC2 586904681 YEXFPTVHLCETQK-UHFFFAOYSA-N 352.287 4.808 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)s1 587015148 YQMALNZNZNXYJN-SSDOTTSWSA-N 357.266 4.794 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1 587085786 HVHLHAZEGKYNBT-UHFFFAOYSA-N 372.211 4.872 0 1 FJAF COc1cc(OC)c2[nH]c([C@@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113995 PYTVLZAESGMSQQ-NSHDSACASA-N 364.367 4.945 0 1 FJAF Cc1cc(Cl)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587126429 AXUXHDNBOBPBQP-UHFFFAOYSA-N 366.730 4.967 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1ccc(Cl)cc1)O2 587378715 DKPOMNWAQMOPSA-LJQANCHMSA-N 352.821 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OC)c(Cl)c1)CC2=O 587461691 LWICNONOYXYSII-OAQYLSRUSA-N 374.864 4.973 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCCC[C@H]1C(=O)OCC)CC2=O 587477872 HQNBZLYEUXWOHD-JTSKRJEESA-N 374.477 4.582 0 1 FJAF O=C1C[C@H](c2cccc(OCC(F)F)c2)Oc2c1ccc1c2CCCC1 587504271 IPIRHWMKVUYXRC-LJQANCHMSA-N 358.384 4.916 0 1 FJAF Cc1nc(C(F)(F)F)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587506722 LCHQPAQKOLVFQZ-KRWDZBQOSA-N 361.363 4.994 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(F)cc1F 587656044 UTQUANNPOLPIMM-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF C[C@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587823535 PZTJXIUDUTXVEQ-AVCJSFLBSA-N 360.270 4.558 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(Cc3ccccc3[C@H]2C)N1 587824013 SXIGMTGBNXMQMN-CLUVUEOHSA-N 360.270 4.678 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](C)CC2CCOCC2)N1 587836068 RJDRHHLSZJIADF-SEDUGSJDSA-N 370.306 4.616 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C(C)C)cc1 587870936 VWQASGSHLIOLRE-UHFFFAOYSA-N 352.409 4.900 0 1 FJAF C[C@H](CNC(=O)c1ccccc1)c1nc(-c2cccc(Cl)c2)cs1 587921273 SZXCIQUZSOOONY-CYBMUJFWSA-N 356.878 4.997 0 1 FJAF COC(=O)c1ccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c2c1 587934747 FSIKWTGUCNJVQC-NRFANRHFSA-N 372.424 4.538 0 1 FJAF COc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCO5)CC3(CCC3)C2)cc1 587936142 SAZJSGSLPQHGCL-UHFFFAOYSA-N 362.429 4.550 0 1 FJAF CCOC(=O)c1ccc(Nc2nc(-c3ccncc3)nc3ccccc23)cc1 653702250 CWQVIUBBTRVXSZ-UHFFFAOYSA-N 370.412 4.612 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(c1cccc(C)c1)C(C)(C)C 963603943 CORPSFPAXYWNBJ-MWTRTKDXSA-N 353.506 4.836 0 1 FJAF Oc1cccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2[C@H]3O)c1 1857630016 WGPGGEWJWKBUFB-XMMPIXPASA-N 367.404 4.889 0 1 FJAF CC(=O)c1ccc2c(c1)C[C@]1(O2)[C@@H](C)CC[C@H](OC(=O)C=C(C)C)C1(C)C 2356397340 AXJLAMRDMMTQFT-RSDPBLMXSA-N 370.489 4.897 0 1 FJAF CC=C(C)[C@@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(O)cc(=O)c1C 2356696621 HYVNIEZADUZXIB-WZONZLPQSA-N 372.505 4.998 0 1 FJAF Fc1ccc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)cc1 2382216452 OLSQVCOYAGWUNV-QGZVFWFLSA-N 353.422 4.590 0 1 FJAF Cc1c(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)cnn1-c1ccccc1 632870 HYELPRHZEGCNDS-UHFFFAOYSA-N 370.334 4.917 0 3 FJAF Clc1cccc(Cl)c1C1=NO[C@H](c2nnc(-c3ccccc3)o2)C1 13660376 LUZLRFXIVOXRBV-AWEZNQCLSA-N 360.200 4.909 0 3 FJAF COc1ccc(F)cc1Oc1ccc2c(-c3ccccc3F)noc2n1 205230860 HWJCDNNPLOFRDD-UHFFFAOYSA-N 354.312 4.969 0 3 FJAF O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(-c2ccccc2)cc1 9511405 YYANCHHBPIHJIW-UHFFFAOYSA-N 359.360 4.795 0 1 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 12402848 GPLGAQQQNWMVMM-FANBOLMJSA-N 356.598 4.810 0 1 FJAF COc1ccc2c(c1)CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1 22931101 WJMFRRISHSNEGQ-FQEVSTJZSA-N 370.581 4.846 0 1 FJAF CCc1nnc2c(N[C@@H](C)Cc3ccccc3)nc3c(Cl)cccc3n12 26379729 HVNKRAZSKGXJER-ZDUSSCGKSA-N 365.868 4.536 0 1 FJAF CC(=O)OCC[C@@]1(C)CC=C2[C@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640206 IIPCIWPAEHRPHF-HTFPWXHTSA-N 362.510 4.973 0 1 FJAF Cn1c(SCc2c(F)cccc2Cl)nc2c3ccccc3nc-2c1O 100705569 HVTZPZOUCRLEOB-UHFFFAOYSA-N 373.840 4.864 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 100743201 HNDKJDCYXITJAR-ROUUACIJSA-N 372.468 4.684 0 1 FJAF CCn1c(C(=O)NCc2ccccc2F)nc2c(-c3ccccc3)cccc21 103268358 VAPZIQDPWFCPGM-UHFFFAOYSA-N 373.431 4.792 0 1 FJAF Cc1ccccc1[C@@H](OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 169301450 BWNMYDFFSCWUHU-QDNNMPSSSA-N 367.533 4.725 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587014895 SVZWWXWQAHZINY-SECBINFHSA-N 371.384 4.991 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(Br)cc2[nH]1 587026423 FAVBLCXAZIQKRU-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(F)cc(Br)cc3[nH]2)n1 587081369 ZUGXYIIGWYDAEC-ZETCQYMHSA-N 371.641 4.952 0 1 FJAF Fc1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587109565 YTNDFKUHHSEOCD-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF COC(=O)Nc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587243201 FRMUOHOFMZJRRC-UHFFFAOYSA-N 373.412 4.987 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(Cl)cc3)n1)O2 587380187 QOBKVOWMGVORCQ-HXUWFJFHSA-N 364.832 4.999 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(Cl)cc3C1)CC2=O 587461678 LQVUOTGDPULXGV-NRFANRHFSA-N 356.849 4.891 0 1 FJAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2c(C)cc(Cl)cc12 587626625 GORPSRODAYPSTG-GFCCVEGCSA-N 366.889 4.904 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccn(C(C)(C)C)c2)N1 587755312 OROPGYSWEYAPGY-DIFFPNOSSA-N 365.290 4.768 0 1 FJAF CC(C)[C@@H]1C[C@@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587835039 UAIRPFIJJKFFID-BVNNNZQISA-N 370.306 4.615 0 1 FJAF COc1cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c(O)c1OC 653787387 IDCSAYMBOPFBGS-UHFFFAOYSA-N 374.392 4.850 0 1 FJAF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccco3)o1)N(C)[C@H](C)C2 962618138 BPFQJTOEIJSCQS-XCLFUZPHSA-N 353.418 4.523 0 1 FJAF COc1ccc(C(F)(F)F)cc1COc1ccc(CCC(=O)O)cc1C 1772655345 UUOBFCXKSUXTJS-UHFFFAOYSA-N 368.351 4.619 0 1 FJAF COc1ccc(-c2cnc3ccc(-c4cccc(Cl)c4)nn23)cc1OC 1857576450 UMYXXPSEPHSANS-UHFFFAOYSA-N 365.820 4.734 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2C(=O)O)C1 2356708517 SCNWNOJSZNDWCA-MDUNAHHLSA-N 362.510 4.662 0 1 FJAF S=C(NCCc1ccccc1)N1CC[C@H]2C[C@H]1c1c(Cl)cccc12 100596679 RQXZCPUCPTUARH-YJBOKZPZSA-N 356.922 4.691 0 3 FJAF Cc1ccc(-c2ncn3c2C(C)(C)N(C(=O)N(C)C)c2ccccc2-3)cc1 13758913 MQNUCLREGWXDFV-UHFFFAOYSA-N 360.461 4.584 0 1 FJAF O=C(c1ccc(N2CCCC2)cc1Cl)N1CCCCc2ccccc21 13835102 RZAKPYUKEQXJAW-UHFFFAOYSA-N 354.881 4.923 0 1 FJAF COc1ccc2c(c1)CCC=C2CCCN1CCN(c2ccccc2)CC1 25986245 SBMUIESOBCIJNY-UHFFFAOYSA-N 362.517 4.627 0 1 FJAF O=C(c1ccc(Oc2ccc(Cl)cc2O)c(Cl)c1)N1CCCC1 28530915 ZJJPFDFWWGNXMW-UHFFFAOYSA-N 352.217 4.727 0 1 FJAF C=CC(=O)Nc1ccc2ncnc(NCc3cccc4ccccc34)c2c1 34490528 OPNZCZSYINPPOH-UHFFFAOYSA-N 354.413 4.520 0 1 FJAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccccc1Cl 39233061 NBOBBJNLFHXYCJ-QGZVFWFLSA-N 361.228 4.788 0 1 FJAF CCCCNc1ncc(C(=O)NCC2CCCCC2)c(-c2ccccc2)n1 82132343 LGLMBVSIYLOFEY-UHFFFAOYSA-N 366.509 4.666 0 1 FJAF Cc1ccccc1OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 100728214 LNDIIWNPPXKDSX-ANTGDGSKSA-N 369.892 4.820 0 1 FJAF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccc(Cl)cc1 103175744 QZASOOBVESZUFR-GOSISDBHSA-N 372.902 4.956 0 1 FJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@H]1c1ccc(Cl)cc1 104059847 VEPGRHMFIQHJKL-SCDSTIRESA-N 360.845 4.603 0 1 FJAF c1cc(Nc2ncnc3cc4c(cc23)OCCO4)cc(-c2cccs2)c1 169326851 UDGAIFAPJOZHSX-UHFFFAOYSA-N 361.426 4.873 0 1 FJAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1cccc2ccccc12 473137231 XBKFHSYCRYCLCK-UHFFFAOYSA-N 372.512 4.524 0 1 FJAF Fc1cc2[nH]c(C[C@H]3OCCc4ccsc43)nc2cc1C(F)(F)F 587037810 YSEVSISTSHVNAH-CYBMUJFWSA-N 356.344 4.639 0 1 FJAF Cc1cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2cc1Cl 587079611 JJULNJZGZWWBPP-CQSZACIVSA-N 359.260 4.902 0 1 FJAF Oc1c(Br)ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c12 587085932 PAKJAQMVLFDBNH-UHFFFAOYSA-N 374.625 4.900 0 1 FJAF Cn1nccc1[C@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587103756 AJMSXKIMDWHNEY-MRXNPFEDSA-N 365.436 4.648 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587233253 KWYCDMHZTPSXBG-JKSUJKDBSA-N 355.482 4.603 0 1 FJAF CCCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401516 RYKKJUOPZOZNTJ-HXUWFJFHSA-N 369.461 4.861 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423573 VYWRMIDCLDXCGN-LLGFUMIMSA-N 354.833 4.803 0 1 FJAF O=C1C[C@H](c2cc(F)cc3c2OCCC3)Oc2c1ccc1c2CCCC1 587502240 BVIZFWIVSMCQFU-HXUWFJFHSA-N 352.405 4.736 0 1 FJAF O=C1C[C@@H](c2cnc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587534065 APTDXRCXYRGQQZ-SFHVURJKSA-N 362.454 4.790 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1cccc(Cl)c1 587550516 WXIBJJGECRNZBF-MOPGFXCFSA-N 366.800 4.619 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(C)(C)C)N1 587758391 XHBJYWCJCUHYRM-DIFFPNOSSA-N 365.290 4.768 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2c[nH]c3ccccc23)N1 587801459 GQWTYYPBTIYIFI-JEOXALJRSA-N 373.269 4.867 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1cccs1 587864172 MFZUIZNCYXPPES-UHFFFAOYSA-N 366.364 4.522 0 1 FJAF COc1ccc(-c2cccc(-c3nc4c(C)ccnc4[nH]3)c2C)c(OC)c1 587929332 NGLQBNOTSQPEFK-UHFFFAOYSA-N 359.429 4.926 0 1 FJAF CCCCOc1cccc([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962625425 MHDQNUSCCMGHKZ-OPAMFIHVSA-N 369.505 4.849 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(CN3CCCCC3)s1)N1CCC[C@H]1C2 963109517 UYESSEKKVGOJET-JTSKRJEESA-N 370.537 4.983 0 1 FJAF COc1ccc([C@@]2(c3sccc3C)NCCc3cccc(Cl)c32)cn1 963390593 LCVDOSQUEMMZHB-HXUWFJFHSA-N 370.905 4.551 0 1 FJAF Clc1ccc(C[C@H]2COC[C@@H]2Cc2ccc3c(c2)OCO3)cc1Cl 1772625410 NGJWERWNXQYKQV-GJZGRUSLSA-N 365.256 4.770 0 1 FJAF CC(=O)c1ccc(OCc2ccccn2)c(-c2ccc3c(c2)CCCNC3)c1 1857771638 ZWIRSHCHOOZOSK-UHFFFAOYSA-N 372.468 4.566 0 1 FJAF CCOC(=O)c1cc2ccc(O)c(CC=C(C)CCC=C(C)C)c2oc1=O 2356382709 LCJVTKBLFGQCNI-UHFFFAOYSA-N 370.445 4.911 0 1 FJAF Cc1cccc(CN(C[C@@H](O)COc2cccc3[nH]ccc23)C(C)(C)C)c1 2382225594 GFSQNJBCJKRADW-LJQANCHMSA-N 366.505 4.517 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 5440632 RDPJISLOFXUIDK-KOGSIGDGSA-N 357.538 4.515 0 1 FJAF CC[C@H](C)c1ccc(NC(=O)N2CCN(c3ncccc3Cl)CC2)cc1 13553815 JLORNYFSIRZGRX-HNNXBMFYSA-N 372.900 4.603 0 1 FJAF COc1ccccc1-c1nc(N)c2c(C)c(C)n([C@H](C)c3ccccc3)c2n1 13835492 PUMJRFNJSRFSJW-MRXNPFEDSA-N 372.472 4.915 0 1 FJAF Cn1c(Nc2ccccc2Cl)nc2cnc(Nc3ccccc3F)nc21 40567470 UOZDNBAXGOUWQP-UHFFFAOYSA-N 368.803 4.643 0 1 FJAF Fc1ccc(C[n+]2ccc3c(c2)[nH]c2c(Br)cccc23)cc1 45357785 GQVNMSFKQAJZKR-UHFFFAOYSA-O 356.218 4.559 0 1 FJAF c1cc(C[n+]2cccc3ccccc32)cc(C[n+]2cccc3ccccc32)c1 71294223 AUGKZAPKELENGH-UHFFFAOYSA-N 362.476 4.665 0 1 FJAF Fc1cccc(-c2nc(CN3CCC(Cc4ccccc4)CC3)co2)c1 72103880 RAFSKLYHNBWOPG-UHFFFAOYSA-N 350.437 4.935 0 1 FJAF COc1ccc2nc(C)c3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2n1 73169856 RMKFHXBPLKSLMZ-UHFFFAOYSA-N 373.243 4.877 0 1 FJAF Nc1cc(-c2ccccc2)ccc1Cn1cncc1CNc1ccc(F)cc1 96940184 MBCXBZZSWRYFCD-UHFFFAOYSA-N 372.447 4.932 0 1 FJAF CCOC(=O)c1[nH]c(/C=C/c2ccc(Cl)cc2)c(C(=O)OCC)c1C 103221840 HMQNAFFBGBKRLK-DHZHZOJOSA-N 361.825 4.500 0 1 FJAF CCOC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 144818486 IWYOPNLGILOBQE-LJQANCHMSA-N 365.517 4.876 0 1 FJAF Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)CCCC3 167127022 AKFPOXXBEQSWRR-UHFFFAOYSA-N 357.866 4.663 0 1 FJAF CCCCN1C/C(=C\c2ccccc2)C2=NN(C)[C@@H](c3ccccc3)[C@@H]2C1 169325751 OKPRNKRSEPOPFL-UAMJMNFZSA-N 359.517 4.845 0 1 FJAF Clc1ccc(N2CCN(CCCc3cc4ccccc4o3)CC2)cc1 169350284 BPHVHUHFXREQBY-UHFFFAOYSA-N 354.881 4.841 0 1 FJAF Cc1nc2c(-c3ccccc3)c(C)nn2c(O)c1Cc1ccc(C(C)C)cc1 239212583 SZMCQRZXWVSEDH-UHFFFAOYSA-N 371.484 5.433 0 1 FJAF Cc1nc(Br)sc1-c1nc2ccc(OC(C)C)cc2[nH]1 587012578 ZJGHVZIFUYPKJO-UHFFFAOYSA-N 352.257 4.545 0 1 FJAF Cc1[nH]c(C(=O)O)c(C)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106896 OKLYVRHUUIEFBC-UHFFFAOYSA-N 368.392 4.756 0 1 FJAF CSc1ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c2c1 587120701 DEMCXSQEVPHODY-UHFFFAOYSA-N 366.290 4.713 0 1 FJAF C[C@@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172696 KLUBEJYVRUQVLZ-KRWDZBQOSA-N 365.191 4.637 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1SCCS[C@@H]1C3 587207134 BWFKYNKKEONQJG-IERDGZPVSA-N 361.491 4.892 0 1 FJAF CC1(C)[C@H]2C[C@H]1[C@](C)(O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587207261 PIOXWPPZHFIXKY-ICKUNSISSA-N 355.437 4.797 0 1 FJAF Cc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1C 587242106 PDVQENGOHLVJRS-UHFFFAOYSA-N 353.422 4.899 0 1 FJAF C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350339 DOUSCSIGXBVLOK-LXTUDLKVSA-N 364.416 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](C1(CN(CC)CC)CCCC1)CC2=O 587470584 UEMADEMSBNPZRN-FQEVSTJZSA-N 359.510 4.581 0 1 FJAF Cc1cc(C)c2occ([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587531066 IFTWSQVELQRCRI-NRFANRHFSA-N 374.436 4.995 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2c(Cl)ccnc2[nH]1 587782493 MRSVJKMMAMHYTH-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccccc2O)N1 587832938 LHHVRXUZQNDDDU-NPFFKWSPSA-N 362.242 4.583 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)c(C)c3[nH]1)CC2 587934270 HXZBUCDKFPGPSS-ZDUSSCGKSA-N 371.278 4.915 0 1 FJAF Cc1cc2c(cc1F)[C@@](c1ccc(F)cc1)(c1ccc(F)c(F)c1)NCC2 962373780 JFHQEVOTIVJQDC-JOCHJYFZSA-N 371.377 4.989 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](C)CC[C@]12NCCc1cc(-c3ccccc3)ccc12 962665042 LFIZBIDGTRZTML-OZWPHOJSSA-N 363.501 4.694 0 1 FJAF Cc1ccc2c(c1)[C@@]1(C=C(c3ccccc3)O2)NCCc2c(C)ccnc21 963070557 OFZDCFBDMWZKRU-XMMPIXPASA-N 354.453 4.521 0 1 FJAF O=C(O)c1cc(N(Cc2cccc(F)c2)Cc2cccc(F)c2)ccc1O 1772648483 YIXIZIYFJOABLL-UHFFFAOYSA-N 369.367 4.575 0 1 FJAF CCc1ccc(COc2ccc(C3CN(c4ccccn4)C3)cc2OC)cc1 1857619777 HAUKWMXOKMZRJZ-UHFFFAOYSA-N 374.484 4.835 0 1 FJAF Fc1ccc(-c2nc3cc(Nc4ccccn4)ncc3[nH]2)cc1C(F)(F)F 1857754523 NACFBLUNDFFMTP-UHFFFAOYSA-N 373.313 4.921 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(C=Cc2ccoc2)[C@@H]2CCC[C@H](C(=O)O)[C@@]21C 2356670124 ANOFHMQPLUCEOM-DOFVOSODSA-N 374.477 4.778 0 1 FJAF CCC/C=C/CCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@@H]1O 13358435 MAPUWVOKJMDGSL-PTDRADOGSA-N 354.531 4.529 0 1 FJAF CCC[C@@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27524877 HRFAXNHMJZKXJT-JOCHJYFZSA-N 369.461 4.507 0 1 FJAF O=C(O)c1cncc(Cc2cc(Cl)ccc2OCc2ccccc2)c1 29128455 WKNRAANUUPNASJ-UHFFFAOYSA-N 353.805 4.603 0 1 FJAF COc1ccc(OC)c(NC(=O)C2[C@H]3CC/C=C\CC/C=C/CC[C@H]23)c1 33821145 VHTCQRPKUANPBY-PAESGYRVSA-N 355.478 4.971 0 1 FJAF FC(F)(F)c1cc(NC(=S)OCCc2ccccn2)ccc1Cl 40395657 JLKILVUOBBXJRB-UHFFFAOYSA-N 360.788 4.710 0 1 FJAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc(CCc3ccccc3)c2c1 49072986 KSKMLMUSGTXYPW-UHFFFAOYSA-N 355.441 4.529 0 1 FJAF Cc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C(N)=S)cc1 53296781 HYKGIFCAVSPOCM-MRXNPFEDSA-N 364.301 4.697 0 1 FJAF Cc1ccc(N2CCC(C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1 71418520 VJSRKELPFTVDAV-UHFFFAOYSA-N 358.526 4.859 0 1 FJAF CCCCC[C@H](C)NCc1coc(-c2ccc(OCCOCC)cc2)n1 72186301 GMYNETBOGJVILG-KRWDZBQOSA-N 360.498 4.815 0 1 FJAF CCCCCn1c(C(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185942 UMKGJYCHECKMDL-UHFFFAOYSA-N 355.461 4.891 0 1 FJAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@@H](C)CC 82186228 JUVVJSIULFLLDF-HNNXBMFYSA-N 367.497 4.847 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NC[C@@H](C)c3ccccc3)ncnc21 82197256 RQWVXRDNFLGEFD-JKSUJKDBSA-N 363.509 4.965 0 1 FJAF O=C1CC(=O)CC([C@@H]2C[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 102895332 ZGNWACSWSPOQCW-GJZGRUSLSA-N 364.285 4.766 0 1 FJAF O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@@H]1NCc1c[nH]c2ccccc12 169351366 ALZKIEOFIQKKKY-CTNGQTDRSA-N 365.452 4.594 0 1 FJAF CN1C[C@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@H]2CCCC[C@H]21 253951120 DSUFLXVZHYLIGK-DSNGMDLFSA-N 373.496 4.925 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 299820884 QOBHVCSONWIIQM-RIMAWLSZSA-N 371.565 4.857 0 1 FJAF Cc1ccc(NC(=O)CSCCc2nc3cc(C)c(Cl)cc3[nH]2)cc1 586970181 HRRUOQOYQYWCLG-UHFFFAOYSA-N 373.909 4.748 0 1 FJAF Cc1ccc(Cc2nc3ccnc(Br)c3[nH]2)cc1C(F)(F)F 587095234 SJDBUXZSBCIDEL-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF Cc1ccc2c(ccc3nc(-c4ccc(Br)cc4F)[nH]c32)n1 587142902 QCTWUGULFWUINN-UHFFFAOYSA-N 356.198 4.988 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3cc(Cl)cc(Br)c3[nH]1)O2 587173983 LJZANYNFHVJOAK-ZDUSSCGKSA-N 367.605 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)cc1Cl)O2 587380791 APYGZQKWVHUMLU-OAHLLOKOSA-N 371.742 4.836 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(Cl)cnc(Cl)c1Cl)[C@@H](C2)C3=O 587421203 OESVYDQBZJZVGL-VXJOIVPMSA-N 370.619 4.539 0 1 FJAF CC[C@@H](C)c1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443834 PXXUCGAXYSDLRL-LPCJOIQWSA-N 352.430 4.706 0 1 FJAF C[C@@H]1C[C@@H]1c1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616129 IEVCBUAYFFNMAO-SBGNHGNGSA-N 362.381 4.812 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ncccc3c2)N1 587778656 NVXMCEBEORRRJG-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccs1 587866343 BAUSCYFPRRXFFB-UHFFFAOYSA-N 366.364 4.718 0 1 FJAF CCCC[C@H](CC)C(=O)n1nc(-c2ccc(C(F)(F)F)nc2)cc1OC 587868280 YMJPEPAWSMCROE-LBPRGKRZSA-N 369.387 4.829 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(F)cc1Cl 587871281 RWHUTJZYAPBGLV-UHFFFAOYSA-N 362.763 4.569 0 1 FJAF COc1ccc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)nc1 621429291 ZFWFCDHSJHBSHJ-UHFFFAOYSA-N 367.352 4.856 0 1 FJAF CC[C@@H](C)C[C@@H](c1[nH]c2ccccc2c1-c1ocnc1C(=O)O)N(C)C 2356307032 MNCZZIZVBMJVGE-DOMZBBRYSA-N 355.438 4.560 0 1 FJAF CC(=O)OC[C@H](C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@H]1CC2=O 2356497115 ARKOXDSPJUWTIG-NJDIQBRYSA-N 358.478 4.729 0 1 FJAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@@]21C 2356515806 BFGZGYSBSJCPMQ-AINSYGRFSA-N 374.477 4.679 0 1 FJAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3[C@H](OC)[C@@H](C)[C@@H]2C)ccc1O 2356827121 HNMLAPIXDGJKHU-SHJZNDNSSA-N 372.461 4.523 0 1 FJAF CCC(=O)N(c1ccccc1CC)C1CCN(CCc2ccccc2)CC1 27871630 XRTWIDDULDZTEI-UHFFFAOYSA-N 364.533 4.699 0 1 FJAF COc1cc2c(cc1OC)[C@@H](Cc1ccc(-c3ccccc3)cc1)NCC2 40567183 TWQRQCHZCOBGHG-JOCHJYFZSA-N 359.469 4.800 0 1 FJAF c1ccc(C[n+]2ccc3ccccc3c2)c(C[n+]2ccc3ccccc3c2)c1 66075281 NBZDXRSHGICKOP-UHFFFAOYSA-N 362.476 4.665 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2O[C@H]1C(F)(F)F 66103672 JJWCCMOALVRLLA-OAHLLOKOSA-N 372.701 4.937 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1cc(C(F)(F)F)ccc1O 84739997 PQUJZUAWKLGRTJ-UHFFFAOYSA-N 361.772 4.861 0 1 FJAF COc1ccc2c(c1)sc1c(Nc3ccc(N(C)C)cc3)ncnc12 95593216 WXNVLFNVJBLEMG-UHFFFAOYSA-N 350.447 4.663 0 1 FJAF CCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)c(F)c3)c2)cc1 96285659 QRZTTXPNOZNAIN-UHFFFAOYSA-N 368.383 4.698 0 1 FJAF Fc1ccc2c(c1)[C@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 100722103 SOGQXJZSYCVAGC-VXKWHMMOSA-N 358.392 4.724 0 1 FJAF O=S1(=O)C2=C(O)C[C@@H](c3ccccc3)CC2=Nc2ccc(Cl)cc21 100796234 YMOQMQBORYXSBF-LBPRGKRZSA-N 359.834 4.547 0 1 FJAF Nc1n[nH]c(Nc2ccc3ncccc3c2)c1-c1nc2ccccc2s1 114399881 MQTCPUCKVUOTPF-UHFFFAOYSA-N 358.430 4.560 0 1 FJAF CC(C)N(C)c1nc2cc(C(=O)O)ccc2nc1-c1ccc2occc2c1 205433787 PIQMRBMZZGIMJW-UHFFFAOYSA-N 361.401 4.586 0 1 FJAF Clc1cnc(Cl)c2[nH]c(-c3cnc(Cc4ccccc4)s3)nc12 587021344 IRDVWYKGVSAAAC-UHFFFAOYSA-N 361.257 4.979 0 1 FJAF CCc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1 587082799 WVTGHXWUKHHQNS-UHFFFAOYSA-N 352.825 4.679 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587233570 SNAIILZQCSFGQT-CABZTGNLSA-N 353.825 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587422435 UIJJSTBHQUXVPO-UGSOOPFHSA-N 366.310 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1cccs1)(c1cccs1)[C@@H](C2)C3=O 587451408 OCVGKBSTJQGYQJ-YWZLYKJASA-N 368.479 4.704 0 1 FJAF Nc1ccc(Br)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587496224 HSAAEFNLVVGAIF-GOSISDBHSA-N 372.262 4.617 0 1 FJAF O=C1C[C@H](c2c(F)c(F)cc(F)c2F)Oc2c1ccc1c2CCCC1 587503197 FRXXTOBBUJTZGM-OAHLLOKOSA-N 350.311 4.828 0 1 FJAF Oc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622086 WUPFRKWTYITZJZ-UHFFFAOYSA-N 362.614 4.833 0 1 FJAF CC[C@@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725428 DKWUNTFKAAJXPG-VOJFVSQTSA-N 366.249 4.915 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccc2F)N1 587730747 XYPOZOZBMDAHTO-MEDUHNTESA-N 366.249 4.935 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2)N1 587778414 MZCMDBMNLOHXHB-NSPYISDASA-N 371.253 4.760 0 1 FJAF COc1cc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2cn1 587783437 BHTNDWUIXRXDQI-FMIVXFBMSA-N 357.413 4.716 0 1 FJAF CN1CC[C@H](CC/C=C/c2ccccc2Cc2ccccc2)[C@@H](C(=O)O)C1 653722065 XXPQUVYOMCOGRY-ITSHMZIZSA-N 363.501 4.723 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3c(F)cc(F)cc3F)cn12 3948378 ZFXACTORXOHFRR-UHFFFAOYSA-N 358.323 4.592 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@@H]([C@H](C)C(=O)Nc1nccs1)CC2 25203668 PQVPKGFOQMPDCF-HOCLYGCPSA-N 372.534 4.928 0 1 FJAF biogenic C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2[C@@H](C)C12CC3CC(CC(C3)C1)C2 27203799 ZBDCUQOORJRVEG-BBPCXICVSA-N 369.597 4.916 0 1 FJAF CNC(=N)Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 27999278 JFJWYXYQZZKDEW-UHFFFAOYSA-N 360.457 4.584 0 1 FJAF CCc1c(-c2ccccc2)c2cnn(OCCCN(C)C)c2c2ccccc12 38825782 RPCMEWBQULPNTB-UHFFFAOYSA-N 373.500 4.799 0 1 FJAF O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40752788 ZYCCDGNCYIZABH-HTOMHKFXSA-N 361.529 4.953 0 1 FJAF Nc1ccccc1Nc1cc(-c2ccnc(Nc3ccccc3N)c2)ccn1 52627493 HCYVXZBPVNQTND-UHFFFAOYSA-N 368.444 4.795 0 1 FJAF Cc1cccc(Nc2nc(-c3ccncc3OCCCN(C)C)cs2)c1 72113107 NBVCNFWEVVDDHZ-UHFFFAOYSA-N 368.506 4.588 0 1 FJAF Cc1ccc(-c2ccn(Cc3ccc(OCc4ccccc4)cc3)n2)cn1 100090852 ORYPPRJOUOKXNY-UHFFFAOYSA-N 355.441 4.881 0 1 FJAF CC1=CC2=Nc3cc(C)c(N)cc3N(c3ccccc3C)[C@@H]2C=C1N(C)C 100763112 GRONHHASLLGOHW-HSZRJFAPSA-N 358.489 4.884 0 1 FJAF Cc1cc(C)c(C2=C(O)C(C)(C)N(OCc3ccccc3)C2=O)c(C)c1 103197610 SIIUROIVEYEKMP-UHFFFAOYSA-N 351.446 4.634 0 1 FJAF CN(C)CCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 169328020 NNPZGRUMFLDSMT-PEDMXDQISA-N 359.517 4.845 0 1 FJAF CCN(CC)Cc1cccc(Cc2oc3cc(OC)c(OC)cc3c2O)c1 169720552 JLRACVFHPUYZQM-UHFFFAOYSA-N 369.461 4.588 0 1 FJAF CC1=C[C@H]2CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]3(C)[C@]23CC[C@H]1C3 238733320 ISUWFQVXZCXIRR-DSDHECLKSA-N 374.521 4.973 0 1 FJAF COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O 586993196 UQYYOJOCSVIUAN-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF OCc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2c1 587071085 LGOXYKJAKYHHCN-UHFFFAOYSA-N 364.832 4.955 0 1 FJAF Oc1c(Br)ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c12 587085470 VUJSMXVLKTVPNS-UHFFFAOYSA-N 374.625 4.900 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105611 AYMJZTRMIKWMMK-FZKQIMNGSA-N 371.436 4.675 0 1 FJAF COc1cc(-c2nc3ccc(C(C)(C)C)cc3[nH]2)nn1-c1ccccc1F 587155393 FURZADYIJFWVDZ-UHFFFAOYSA-N 364.424 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cccc(Br)c13)O2 587372680 QPOZAUNUTLGLFF-MRXNPFEDSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(C(F)(F)F)c1Cl)O2 587380366 DMIXGQQCVUKMAL-CQSZACIVSA-N 355.743 4.956 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OC4CCCC4)cc1)[C@@H](C2)C3=O 587440204 BESZFWLUGRUMRN-AVRDEDQJSA-N 350.414 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(F)c(F)c1)CC2=O 587467073 PXJAEVBJMWRZLK-IBGZPJMESA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](c3ncccc3O)C1)CC2=O 587488617 QZNWPMONGGNRCV-JLCFBVMHSA-N 367.445 4.507 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C(/C)N(C)C)(c1ccsc1)CC2=O 587493376 FLMSSWYRSUKFBQ-SZRHCGQDSA-N 371.502 4.732 0 1 FJAF C[C@]1(c2cccc3cc[nH]c23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587588007 IYHHEBGEDDLKJV-AUSIDOKSSA-N 371.392 4.751 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)c(F)cc4[nH]1)(C3)C2 587951319 SKYRJUZCEUAQTD-ORMMXULVSA-N 362.832 4.509 0 1 FJAF CSc1ccc2cc([C@H]3NCCc4c(C)ccnc43)c(Cl)nc2c1 963068889 LRVIVONYDPHWLD-GOSISDBHSA-N 355.894 4.549 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@]2(c1cccc(C)c1)C(C)(C)C 963603942 CORPSFPAXYWNBJ-HJPURHCSSA-N 353.506 4.836 0 1 FJAF O=C(Nc1nc2cc(Br)ccc2s1)c1cc2ccccc2[nH]1 1772615178 ASXQLWMTOKGVFS-UHFFFAOYSA-N 372.247 4.792 0 1 FJAF Cc1cc(-c2ccc3ccc(C(=O)c4ccc(F)c(O)c4)nc3c2)ccc1O 1857634849 WIUVWFXHLWMQRJ-UHFFFAOYSA-N 373.383 4.992 0 1 FJAF COc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1F 2382217314 QPTJTSKVZQWVGZ-UHFFFAOYSA-N 357.381 4.522 0 1 FJAF Cc1ccccc1CSc1nc2ccsc2c(=O)n1Cc1ccco1 3059168 RYGCHZKFNXZOAE-UHFFFAOYSA-N 368.483 4.700 0 1 FJAF C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccc(Oc2cccnc2)c1 3959999 OJACUCXUGGOJND-PCUGXKRQSA-N 362.404 4.904 0 1 FJAF CCCN(CCC)[C@H]1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1 13741707 FNUVHMFBVOHLQV-AWEZNQCLSA-N 366.427 4.892 0 1 FJAF CCCCC[C@@H](C)OC[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398980 AMXGGSMKASENPO-FMUBAJRSSA-N 352.515 4.967 0 1 FJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)c3cc(Cl)ccc23)O1 27872967 ZWTXDHXYESDLCS-GHMZBOCLSA-N 373.663 4.799 0 1 FJAF O=C(Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1)Nc1ccccc1F 28008028 KMKRGIZLWKCKHQ-UHFFFAOYSA-N 374.375 4.577 0 1 FJAF O=C(Nc1ccc(F)cc1)Nc1cc(C2CC2)nn1Cc1ccccc1 96273834 VOALTWTVGUDUMQ-UHFFFAOYSA-N 350.397 4.592 0 1 FJAF CC(=O)N1[C@@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800526 KXVANVFVPHMDSA-WOJBJXKFSA-N 371.427 4.613 0 1 FJAF COC(=O)Nc1nccc2nc(-c3c(Cl)cccc3Cl)sc12 114603446 DFJZFXVVYQXPRA-UHFFFAOYSA-N 354.218 4.843 0 1 FJAF O=c1[nH]c(O)c(Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)s1 169722740 PURGYIIALAULCS-UHFFFAOYSA-N 368.241 4.832 0 1 FJAF Cc1c(F)ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c12 586900387 ILIOLOSEXUHRSJ-UHFFFAOYSA-N 350.349 4.662 0 1 FJAF Cc1ccc(CSCCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586971627 WCLMSBRCELWRIF-UHFFFAOYSA-N 366.465 4.672 0 1 FJAF O=C(O)c1sccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586993890 KZNOGRUOSLUZEZ-UHFFFAOYSA-N 373.389 4.579 0 1 FJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc(C(C)(C)C)ccc2[nH]1 587038104 CSTOLYBDIUVRFS-UHFFFAOYSA-N 373.482 4.726 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3cc4ccccc4c(Cl)n3)nc12 587086221 XQXSKSFHEZPOIU-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF CCOC(=O)CNc1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)cc1 587225430 QXXNJWWEGOPEGR-UHFFFAOYSA-N 351.450 4.502 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(N(C)C)cc1)CC2=O 587469600 NXSUPKHRYSQYDD-JOCHJYFZSA-N 353.462 4.681 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(C1CC1)CC2=O 587482143 SECXTFJBTQKVFM-JOCHJYFZSA-N 352.430 4.624 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(SC)c1)CC2=O 587489527 CRQHFHWWJMEISZ-SFHVURJKSA-N 358.459 4.782 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccccc3)nc1C)CC2=O 587489731 NKUPUHVSNICLTM-NRFANRHFSA-N 374.440 4.817 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2N=O 587505389 MALGNQQUAFEIHQ-GUMYABAYSA-N 353.462 4.861 0 1 FJAF CCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587524386 NLUSCIJMNTXQJN-FQEVSTJZSA-N 352.430 4.679 0 1 FJAF C[C@H](c1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587598038 AGCAHZZSYXTHEY-ZNRXUEPQSA-N 360.409 4.916 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587746125 LKJFPWMHZSUKAW-ZMZPIMSZSA-N 359.242 4.937 0 1 FJAF OCc1ccc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783934 JLDSTQAATDOAQW-LCYFTJDESA-N 356.425 4.805 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(C)cc1N 587860183 NSLGGHBPOHJCMV-UHFFFAOYSA-N 363.248 4.530 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)nc(Cl)c2[nH]1 587926042 GUAFCQZFHWLHGO-SNVBAGLBSA-N 366.248 4.824 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587927348 POPBCBOTNKLIGR-LLVKDONJSA-N 365.355 4.536 0 1 FJAF COc1ccccc1Oc1c(Cl)cccc1-n1c(O)c(C)c(C)c1O 587941382 OAUYECWWYQGBMN-UHFFFAOYSA-N 359.809 4.960 0 1 FJAF O=C1OC[C@H](Cc2ccccc2F)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772630563 FBQQEUZAFIPMPJ-UONOGXRCSA-N 353.220 4.707 0 1 FJAF CC[C@@H](N=c1nc[nH]c2oc(-c3ccc(OC)cc3)cc12)c1ccccc1 1772637863 JTPYUJWYCFGJSX-LJQANCHMSA-N 359.429 4.884 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccc(F)cc2)cc1 1857567356 BUSBCUATHNSLKF-HRAATJIYSA-N 365.452 4.534 0 1 FJAF CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2-c2cccnc2)cc1 1857645315 GZIMBQJWMRMVGT-UHFFFAOYSA-N 374.484 4.724 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([C@@H](C)COC(C)=O)cc3CC[C@H]21 2356679776 GUJPRRSUOUAPAB-APQCTARYSA-N 372.505 4.537 0 1 FJAF COc1cccc(Nc2nccc3[nH]c(-c4ccc(F)c(F)c4)nc23)c1 74386636 BIAIUMHXQJRUTD-UHFFFAOYSA-N 352.344 4.655 0 3 FJAF CCc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580897 VAJUGYNDKQYFIE-UHFFFAOYSA-N 351.454 4.618 0 1 FJAF CC(C)(C)c1ccc(-c2cncc(Nc3ccc4c(c3)OCCO4)n2)cc1 14974038 BJVNWCGYGFLIFA-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF Cc1cnc(OC2CCCCC2)nc1-c1cnc(Nc2ccccn2)s1 34804865 LZCHLXVPHWVKTF-UHFFFAOYSA-N 367.478 4.759 0 1 FJAF CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(O)c2)oc1=O 36124557 QXQYYOWFJAICOZ-UHFFFAOYSA-N 354.427 4.993 0 1 FJAF CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CCCCC4)no3)cc12 36311404 GQUAQFCXXCXPMV-UHFFFAOYSA-N 366.509 4.835 0 1 FJAF CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccc(Cl)cc1 58603075 NLHASLSYCLBVJG-KRWDZBQOSA-N 372.852 4.645 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccccn1 64559282 JUMDBDBNZJSANV-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF CC1=CC[C@@H](C)O[C@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 66167019 FAKXMTLUDHHXRM-ZHRRBRCNSA-N 351.421 4.713 0 1 FJAF Cc1c(C(=O)c2ccc(-c3ccccc3)cc2)c(C)n(C)c1CCC(=O)O 82158476 RCFOGIUVLYZHMV-UHFFFAOYSA-N 361.441 4.557 0 1 FJAF O=C1Oc2cc(O)cc(Cc3ccccc3)c2C[C@@H]1c1ccc(Cl)cc1 96174387 QOQPQWWGESZFBH-HXUWFJFHSA-N 364.828 4.882 0 1 FJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCC)[C@H]1CC 100038035 XRXAVFJTJSFNTQ-OQCHKFKFSA-N 359.491 4.984 0 1 FJAF CCOc1ccc(-n2c(SCC)nc3c4ccccc4nc-3c2O)cc1 100705837 AXRWCNWRWVWJPM-UHFFFAOYSA-N 365.458 4.742 0 1 FJAF COc1ccc[n+]2c1[C@H]1c3ccccc3[C@H]2CC1(c1ccoc1)c1ccoc1 100722144 PVEDDOYQFMYTGA-IFMALSPDSA-N 370.428 4.593 0 1 FJAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 100884217 BLOLSIOUOOBUTD-AMHBPTBTSA-N 371.527 4.516 0 1 FJAF CC[C@@H]1CC(=O)NN=C1c1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1 168470489 HHSXTUPPPQLOGJ-CQSZACIVSA-N 361.445 4.868 0 1 FJAF Cc1cc(NCc2cc(Cl)ccc2Cl)c2cccc(C(N)=O)c2n1 473096122 YRBUSHPTXNKIJX-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF Cc1c(C)c2ccc(OCCCCN(C)Cc3ccccc3)cc2oc1=O 473132395 RNIDTYKTGPWKIQ-UHFFFAOYSA-N 365.473 4.701 0 1 FJAF Cc1ncc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C)c1Br 586979422 ZJMPGQROLVBJPI-UHFFFAOYSA-N 372.053 4.706 0 1 FJAF Cc1ccc(C)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc12 587001178 CWXBPPNZJZIFCT-UHFFFAOYSA-N 369.266 4.535 0 1 FJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3ccc(Cl)cc3[nH]2)cs1 587019866 YLCPLTOEKYBTJN-UHFFFAOYSA-N 364.858 4.611 0 1 FJAF Fc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2c(F)c1F 587031694 ABKXKGOIPGTEFK-UHFFFAOYSA-N 359.376 4.988 0 1 FJAF COC(=O)c1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c[nH]1 587096558 LNVQNYLNQVVMIO-UHFFFAOYSA-N 368.392 4.536 0 1 FJAF CCOc1cc(/C=C/c2nc3cc(Cl)ncc3[nH]2)ccc1OC(F)F 587129931 HNKZXRSNUMWNEJ-GQCTYLIASA-N 365.767 4.782 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2n1 587136937 ZJFVGTZIVZOKEK-UHFFFAOYSA-N 366.209 4.963 0 1 FJAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587341400 WMGRTOMIECOZHC-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF CC[C@@]1(Cc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356743 RDKGNDKATURBLX-UNMCSNQZSA-N 366.388 4.875 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@H](C)N3CC)CC2=O 587473997 BLWVCKPSHOTKDG-FPTDNZKUSA-N 365.473 4.822 0 1 FJAF O=C1C[C@H](c2c[nH]nc2-c2cccs2)Oc2c1ccc1c2CCCC1 587530235 DGZPIVCVGMHZLJ-QGZVFWFLSA-N 350.443 4.724 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCC(F)(F)F)N1 587709747 NUNMYIXXDKIREF-KCJUWKMLSA-N 354.185 4.896 0 1 FJAF CCN(CC)CC(C)(C)[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587743654 XODMYAAMIUVRFM-SJCJKPOMSA-N 371.338 4.532 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)c1 587930411 BLCDSMUUAZIMNH-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF NC(=O)N1CCc2sccc2[C@@]1(c1ccc(F)c(Cl)c1)C1CCC1 962717342 UGAJEOWBEUVTIV-SFHVURJKSA-N 364.873 4.521 0 1 FJAF Cc1cc(-c2sc(Cc3cccc(Cl)c3)nc2C)ccc1C(N)=O 1772583383 JTTGDDMOQYSNPD-UHFFFAOYSA-N 356.878 4.770 0 1 FJAF Cc1noc(C)c1CCc1nnc2scc(-c3ccc(Cl)cc3)n12 1857585107 ONFGXRFDATYYFK-UHFFFAOYSA-N 358.854 4.501 0 1 FJAF CCc1nn2c(C(F)(F)F)cc(C)nc2c1-c1ccc(OC)c(F)c1F 1857631214 TTWAJQADFIJAGB-UHFFFAOYSA-N 371.309 4.573 0 1 FJAF CCOC(=O)c1c(-c2ccccc2Br)oc2ccc(O)cc12 1857770762 XENUSTJYMLSQTH-UHFFFAOYSA-N 361.191 4.745 0 1 FJAF O=c1cc(CN(Cc2ccccc2)Cc2ccccc2)c2ccccc2o1 72136970 PEEKMBOZPKILFP-UHFFFAOYSA-N 355.437 4.995 0 3 FJAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCCOc1ccccc1 2483504 VYNHEONZDRNUPL-UHFFFAOYSA-N 370.474 4.509 0 1 FJAF Cc1cnc(CN(C)C2CCN(c3cccc(-c4ccccc4C)c3)CC2)[nH]1 23506390 YVRMCVKNZJCFMM-UHFFFAOYSA-N 374.532 4.794 0 1 FJAF COc1ccccc1-c1c(SCCN(C)C)nc2ccccc2c1C 26377136 YLTYOUKOMIESER-UHFFFAOYSA-N 352.503 4.873 0 1 FJAF CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1 43019773 ISYLLTDRYOOVEA-UHFFFAOYSA-N 367.468 4.997 0 1 FJAF CN(C)c1ccc(NC(=O)Nc2ccnc3ccc(C(F)(F)F)cc23)cc1 71342015 LTRWROICGSCYBT-UHFFFAOYSA-N 374.366 4.964 0 1 FJAF CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 82144999 GHNUZUYMEVRRNS-UHFFFAOYSA-N 366.509 4.727 0 1 FJAF O=C(/C=C\c1ccc(Br)cc1)Nc1cccc2cnccc12 84567398 HEWSYCQXZBBREJ-TWGQIWQCSA-N 353.219 4.649 0 1 FJAF O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1C1CCCCC1)C1CCCCC1 96926829 HVPHDMFQQWNTIG-XZOQPEGZSA-N 368.565 4.764 0 1 FJAF c1ccc(N2CCN(C[C@H]3CC[C@@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 100788533 WYVYDCVFEZZZCK-MXVIHJGJSA-N 374.532 4.659 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccc(Cl)cc32)c(Br)c1 169334463 RQRZCRGJJOIQDA-AWNIVKPZSA-N 364.626 4.604 0 1 FJAF CO[C@@H]1c2ccccc2[C@@H]2[C@H](C(=O)O)c3c(n(C)c4ccccc34)[C@H]2[C@@H]1C 254071279 SAAHQXFSJMSMGY-SOMNFKTNSA-N 361.441 4.565 0 1 FJAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1 299828526 RLVXYFXRWPRDDM-SKDRFNHKSA-N 372.778 4.866 0 1 FJAF O=[S@@](CC[C@@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299859980 ISFOFKJYSXPBPW-FVINQWEUSA-N 362.225 4.530 0 1 FJAF Cc1cc2nc(-c3ccc(-c4nnc(-c5ccccn5)o4)cc3)[nH]c2cc1C 473135722 SZXDJGOMXBXCOC-UHFFFAOYSA-N 367.412 4.959 0 1 FJAF CCCOc1cc2nc([C@@H]3CCCO[C@H]3CC)[nH]c2cc1Br 586910305 HPXXVPVAYZMKNR-ABAIWWIYSA-N 367.287 4.787 0 1 FJAF Oc1ccc2scc(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)c2c1 587031947 CPLRCIXMHCGPAD-UHFFFAOYSA-N 370.743 4.564 0 1 FJAF Nc1ccc(-c2ccc3nc(CCc4ccccc4Cl)[nH]c3c2)cc1N 587058966 KCYRNZNEACNDGA-UHFFFAOYSA-N 362.864 4.833 0 1 FJAF Cc1c(Br)ccc2[nH]c(C(=O)Nc3ccccc3Cl)nc12 587060141 BJNNAHITWFWOKD-UHFFFAOYSA-N 364.630 4.540 0 1 FJAF Cc1c(F)ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587218702 KQJIQHDGCKXQFU-FQEVSTJZSA-N 359.404 4.530 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(Cc1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587419495 DPQVLTSJPAYVQL-ORAYPTAESA-N 363.240 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(C(F)(F)F)n1C)CC2=O 587463807 CJMYFTCDGXLPDH-SFHVURJKSA-N 367.367 4.583 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-n1ccnc1C)CC2=O 587469322 CPKAXVRKERGCST-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509495 ZLTZEPBYAOERKF-GOSISDBHSA-N 373.493 4.545 0 1 FJAF Cc1ccccc1-n1nccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516412 CRXKHBZNTILYQD-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF O=C1C[C@](c2ccccc2)([C@@H]2CCCCN2)Oc2c1ccc1c2CCCC1 587525534 NTDWHPQWQISBBB-UPVQGACJSA-N 361.485 4.568 0 1 FJAF CC(C)=C1Oc2cc(O)ccc2[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587533408 SUANPTFNMPAPHG-HSZRJFAPSA-N 362.425 4.818 0 1 FJAF COc1cc2nc(-c3cccc(-c4ccc(OC)c(O)c4)c3)[nH]c2cc1C 587786156 IVWLHEIURAJTHM-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccco2)N1 587830430 TUQQOFBPZQYCPT-GOFCEDMWSA-N 350.231 4.644 0 1 FJAF CSc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841533 BKGSIITXCFADBI-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c(F)cc4[nH]3)cc2)c1 587933230 VFLXJVMXQRMPLG-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF Cc1ccc(-c2cn(CC3=C(Cl)c4ccccc4OCC3)nn2)cc1 653767897 FFMJRKBCJHJABE-UHFFFAOYSA-N 351.837 4.686 0 1 FJAF Cc1c(F)ccc2c1[C@H](c1cccc(-c3ccc(F)cc3F)n1)NCC2 962149368 VQHCOEVQLCYHMM-NRFANRHFSA-N 354.375 4.709 0 1 FJAF CCOC(=O)c1sc2cc(Oc3cccc(C(=O)NC)c3)ccc2c1C 1772577904 SFGXGRYDSRBCOC-UHFFFAOYSA-N 369.442 4.538 0 1 FJAF COc1ccc(-c2ccc(F)cc2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772608202 UGPDGYWEQJEIJE-QGZVFWFLSA-N 371.433 4.873 0 1 FJAF N[C@@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccn2)n1 61905706 RCUGVTFZYXHGFK-ZDUSSCGKSA-N 364.396 4.543 0 3 FJAF CCCCCNC(=O)c1ccc2c(c1)nc(C)n2-c1cc(C)ccc1OC 3032316 HNWWCNXXGFHDBO-UHFFFAOYSA-N 365.477 4.571 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN2c2ccccc21 8602774 UFIGIMFZRXDRGU-OAHLLOKOSA-N 361.367 4.726 0 1 FJAF aggregator O=C(Nc1n[nH]c2nc(-c3ccccc3)c(-c3ccccc3)cc12)C1CC1 13538552 UAILDZHGMNDSLW-UHFFFAOYSA-N 354.413 4.640 0 1 FJAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSC#N)[C@@H]1CCC2=O 14947091 RCUYUXXIFXLVMF-SQBLYHGDSA-N 355.503 4.592 0 1 FJAF O[C@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 26849274 BTOQYKKYPOUZGJ-QHCPKHFHSA-N 358.416 4.625 0 1 FJAF OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817075 WBNMPDBWSUFASE-UHFFFAOYSA-N 361.460 4.899 0 1 FJAF in-vivo CC(C)(C)C1(O)CCN(CC2c3ccccc3Oc3ccccc32)CC1 33865078 KXYGPLYFRIMYOX-UHFFFAOYSA-N 351.490 4.797 0 1 FJAF Cc1ccc(-c2ccc(Cl)c(C(=O)NCC3(O)CCCCCC3)c2)nc1 43119300 IRBKAXRPDKBQAF-UHFFFAOYSA-N 372.896 4.526 0 1 FJAF O=C(Nc1ccc(-c2csc3nccn23)cc1)c1ccc(Cl)cc1 45202096 ZZXQTTHFIOIQBB-UHFFFAOYSA-N 353.834 4.969 0 1 FJAF Cc1ccc([C@@H](O)c2nnc(Nc3cccc(C(F)(F)F)c3)s2)cc1 82078327 DQRAVRGWEMNCKI-CQSZACIVSA-N 365.380 4.691 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(N)c(N)c4)nc13)-c1ccccc1C2=O 586998276 ZTIJSUZMTSPLMO-UHFFFAOYSA-N 351.409 4.586 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3c(Cl)c(Cl)cnc3[nH]2)cs1 587022082 UHPPFEHNWRWJBV-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2c(Br)cnc(Cl)c2[nH]1 587169056 RLLGTGBQCPKUCL-ZETCQYMHSA-N 370.609 4.653 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Sc4ccccc4)o1)[C@@H](C2)C3=O 587450391 FTAVTTHDJQMMHS-BTYIYWSLSA-N 364.422 4.928 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(Cl)c(N)c1)CC2=O 587460494 NEJMKAPELHNNLX-FQEVSTJZSA-N 359.853 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccccc3F)no1)CC2=O 587469145 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371.655 4.655 0 1 FJAF C[C@H]([C@@H](O)c1ccccc1)N(C)C(=O)Nc1ccc(Cc2ccccc2)cc1 13863347 BQUANDATTWVMSL-WZONZLPQSA-N 374.484 4.863 0 1 FJAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C 22938076 BEBKQEVGPRNSGI-AZUAARDMSA-N 356.460 4.568 0 1 FJAF CC(C)(C)C(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cccc(O)c1 28523819 JGQZJNAWAPHWAR-GOSISDBHSA-N 356.853 4.769 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)O[C@@H](C)C=C4)O[C@@H](C)CC3=O 29132941 WEMNDZLFVVGGDI-UWVGGRQHSA-N 374.820 4.547 0 1 FJAF O[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 40752791 ZYCCDGNCYIZABH-JOACEPGESA-N 361.529 4.953 0 1 FJAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccccc1C(F)(F)F 95594731 ZYUVAKAGNDFDQF-UHFFFAOYSA-N 363.335 4.897 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CO[C@H](C2)O3)cc1 100380826 KOFCNZPCQOBXHD-FPOVZHCZSA-N 353.418 4.817 0 1 FJAF CC(C)Cc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335062 YCZBQURQZXYEHI-JOCHJYFZSA-N 362.521 4.838 0 1 FJAF Cc1c(CC(=O)O)c2cccnc2n1[C@H](C)c1ccc(C(F)(F)F)cc1 117591304 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COc1ccc(F)cc1-c1cccc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772655666 MJMWIVBLCWPOAP-KRWDZBQOSA-N 371.433 4.873 0 1 FJAF COc1ccc([C@@H]2CCCC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857611380 UQCIIGQMKVSWIN-IRXDYDNUSA-N 372.461 4.868 0 1 FJAF Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1-c1ccnc(NN)n1 1857755503 NDTDTHOCQHBXSZ-UHFFFAOYSA-N 359.458 4.528 0 1 FJAF C[C@H]1NC[C@]23CC[C@@H]4[C@@]5(C)CC[C@H](N(C)C)CC5=CC[C@@]4(C)[C@@H]2CC[C@@H]13 2356657340 BUIVDTLPPVBRTG-UFCDOESUSA-N 356.598 4.858 0 1 FJAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccsc1 774991 HGJMEARXEFMVLR-UHFFFAOYSA-N 356.422 4.882 0 1 FJAF COc1ccc(Cl)cc1-c1cc(NCCc2ccccc2F)ncn1 82160737 HQUCEVPOCDVOGF-UHFFFAOYSA-N 357.816 4.599 0 1 FJAF COc1cc2ccc(=O)oc2c(OC)c1OC/C=C(\C)CCC=C(C)C 84706394 GEBSUJHFARTCMC-RVDMUPIBSA-N 358.434 4.882 0 1 FJAF CC(C)CCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321806 JZFZEWWOIOYBTQ-DNVJHFABSA-N 357.538 4.702 0 1 FJAF COC(=O)[C@]1(C)CCCC2=C1CC[C@@H](C)[C@]21C[C@@H](c2ccoc2)CC1=O 238778036 KELOXJWCNVNKDH-NSAJDELNSA-N 356.462 4.802 0 1 FJAF Fc1ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c2c1Br 586884392 HQCAZMQDASEMIS-SGTLLEGYSA-N 357.226 4.836 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586891705 UZSFTYUTHDFRCC-HWPZZCPQSA-N 352.331 4.866 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1 587080176 NIORKOYNRLZWND-QMMMGPOBSA-N 358.751 4.949 0 1 FJAF CCOC(=O)[C@H]1C(C)=Cc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587105586 AFAVLUYDOODHII-SFHVURJKSA-N 355.393 4.510 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1 587158574 ONHNRDREMKLYOV-UHFFFAOYSA-N 360.344 4.577 0 1 FJAF CC(C)[C@H](c1nc2ccc(C(C)(C)C)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587197767 NGAMWIMLLYOZJV-OAHLLOKOSA-N 360.502 4.819 0 1 FJAF Nc1c(-c2nc3cc(F)cc(Br)c3[nH]2)ccc2ccccc12 587253319 HETFKOJHRBAJIA-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF CCCCn1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430419 HWXXIKCCDLRYAO-HXOBKFHXSA-N 361.441 4.939 0 1 FJAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(CC(C)C)[C@@H](C2)C3=O 587444121 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CC[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@@H](N)C[C@]4(C)[C@H]3CC[C@@]21C 1857623970 ZSSPHCDGLYDLSV-CTOCJLMMSA-N 359.554 4.844 0 1 FJAF CC(C=C[C@@]1(C)[C@H](C)C(=O)CC[C@H]1C)=CCc1c(O)cc(C)c(C=O)c1O 2356495998 AQCKKGIVKOHRLM-SEPYTNNBSA-N 370.489 4.905 0 1 FJAF CC[C@H](O)[C@@H](O)CC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356695996 FFXKPSNQCPNORO-SFTDATJTSA-N 362.510 4.715 0 1 FJAF Cn1cc(-c2nn3cc(-c4ccsc4)nc3s2)c2cc(F)ccc21 2382249661 IWUDDNADTWFOJR-UHFFFAOYSA-N 354.435 4.817 0 1 FJAF COC(=O)c1c[nH]n2c(NC3CCCCC3)c(-c3ccc(Cl)cc3)nc12 4669879 LNALKXBLDFTJAJ-UHFFFAOYSA-N 372.856 4.514 0 1 FJAF N[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 58556891 RYSREWLCUBCLSN-LQKMEQQXSA-N 360.545 4.920 0 1 FJAF CN(Cc1ccccc1)C(=O)[C@H]1CCCc2c1c1ccccc1n2CCF 73198668 FJAMEGHJYXTEHB-IBGZPJMESA-N 364.464 4.689 0 1 FJAF Cc1cc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)oc1C 96940333 BKHDQINKYHBACN-JOCHJYFZSA-N 368.521 4.832 0 1 FJAF Clc1ccccc1[C@H]1CC[C@@H](N2CCN(c3ccccn3)CC2)CC1 100085743 QSUQNNQRYGZRHL-IYARVYRRSA-N 355.913 4.583 0 1 FJAF OC1=C2C(=Nc3n[nH]cc3[C@H]2c2ccc(F)c(Br)c2)CCC1 100914027 XYLRBVVYGBFPGZ-CQSZACIVSA-N 362.202 4.525 0 1 FJAF O=C(O)c1ccc2nc(-c3ccccc3)c(N3CCc4ccccc43)nc2c1 116230146 ZPCBICMHXHXJKV-UHFFFAOYSA-N 367.408 4.689 0 1 FJAF Cc1cc(Cc2sc(=O)[nH]c2O)ccc1OCCCC1CCCCC1 169700826 ATLZIMFZGWLQMA-UHFFFAOYSA-N 361.507 4.781 0 1 FJAF O=C1O/C(=C/c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586908253 ZZJWTBSZTAVHLV-VGOFMYFVSA-N 364.710 4.904 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3ccc(Cl)nc3[nH]2)c(C)c1 586967214 ZWMUTPIAOGUASQ-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF COc1cc(-c2nc3cc(Cl)cnc3[nH]2)cc(Cl)c1OCC(C)C 587044481 DFTFLVMYBROCHI-UHFFFAOYSA-N 366.248 4.975 0 1 FJAF COc1cc(OC)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074558 BFUFAEGHRLHJDW-QGZVFWFLSA-N 371.868 4.571 0 1 FJAF Nc1ccc(-c2nc3ccc(F)c(Br)c3[nH]2)c(C(F)(F)F)c1 587095828 XBBBCACDCFYXGM-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF COc1cc2nc([C@@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1OC 587098675 RURFHXJIPJVAJF-JTQLQIEISA-N 350.340 4.751 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587114565 UJIIMIMKQUFPQZ-SECBINFHSA-N 366.314 4.765 0 1 FJAF FC(F)(F)Sc1ccc(/C=C/c2nc3c(Cl)ncnc3[nH]2)cc1 587124867 MQENXONMBYMMSY-ZZXKWVIFSA-N 356.760 4.789 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)c1 587160471 SZIYZSHRXXKJKQ-UHFFFAOYSA-N 374.375 4.627 0 1 FJAF N=c1cc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c2ccccc2[nH]1 587254710 XGCYZROTIBECRA-UHFFFAOYSA-N 352.397 4.983 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(F)c(F)cc3nc1Cl)O2 587386389 XVQGQYLYMJIHRA-KRWDZBQOSA-N 374.774 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@H](C)c1nc4ccccc4s1)[C@@H](C2)C3=O 587451230 JGVDWONLDDNVSZ-DQCMRGAYSA-N 365.454 4.615 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1F 587555903 HPQKMIRWDISJSS-XLIONFOSSA-N 372.298 4.512 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3c2)N1 587777723 JEZDXQUBCXBWKG-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CC2)N1 587816340 WQVVWGODDRNFJL-HXPMCKFVSA-N 360.270 4.776 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587823854 WVGPXXQTNKCYPT-GTNSWQLSSA-N 364.258 4.534 0 1 FJAF CS(=O)(=O)Nc1ccc(-c2csc(-c3ccccc3Cl)n2)cc1 587924356 UHTKXLFXLKPLIX-UHFFFAOYSA-N 364.879 4.502 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587931363 HWYALDCBDLZYLS-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF O=C(Nc1ccc(NC(=O)c2ccc(F)cc2F)cc1)c1ccc(F)cc1 1911577192 KQEPKEYGIXNKCN-UHFFFAOYSA-N 370.330 4.609 0 1 FJAF Cc1ccccc1C1CCN(C(=O)N2CCNc3cc(Cl)ccc32)CC1 2382216577 RJJXULBZSBNEPW-UHFFFAOYSA-N 369.896 4.880 0 1 FJAF Cc1cc2onc(C)c2cc1NS(=O)(=O)c1cc(Cl)ccc1Cl 2382254213 UCDCIKJQLRLMLF-UHFFFAOYSA-N 371.245 4.552 0 1 FJAF COc1ccccc1[C@H]1CC(=O)Oc2cc(C)c(Br)c(C)c21 13814878 NDGBPOCKWOOINK-CYBMUJFWSA-N 361.235 4.516 0 3 FJAF CC(C)c1ccc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)N(C)C)cc1 772583 NXHWRYJFQQEUCU-ICSRJNTNSA-N 370.880 4.643 0 1 FJAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCCc1ccccc1F 775999 CFYHGQWULJDIEZ-UHFFFAOYSA-N 372.465 4.812 0 1 FJAF CCCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5883392 UUNRTTUYSMGSQR-UHFFFAOYSA-N 365.260 4.869 0 1 FJAF C[C@@H](SC1c2ccccc2Sc2ccccc21)C(=O)N1CCCC1 28706906 AHFZCPAGPSPMPA-CQSZACIVSA-N 355.528 4.985 0 1 FJAF C/C=C/c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(OC)c(OC)c1)O2 34136264 VDEMDVPOVCCUKO-MJEIXVTBSA-N 356.418 4.688 0 1 FJAF CC(C)(C)CCN1CCC(CNC(=O)Cc2ccc(C(C)(C)C)cc2)CC1 40430562 OMPIDZKVPWOYTK-UHFFFAOYSA-N 372.597 4.791 0 1 FJAF COc1ccccc1CNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 82161568 WPQYUYRVZAZXJK-UHFFFAOYSA-N 359.351 4.783 0 1 FJAF COC(=O)Nc1ccc(Nc2ccccc2-c2ccccc2)c2nonc12 95595560 ZUHRTCHDPOFIRB-UHFFFAOYSA-N 360.373 4.812 0 1 FJAF COC(=N)c1nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2s1 96270438 ZLFXEVGPZWFVCB-UHFFFAOYSA-N 369.837 4.608 0 1 FJAF CC[C@H](Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251340 GWBHDCFCUBNVKR-HXUWFJFHSA-N 359.535 4.528 0 1 FJAF Nc1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 168281487 VDWVIQZXVQSPBH-UHFFFAOYSA-N 354.457 4.588 0 1 FJAF CC(C)(C)c1cccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586997089 MUDQNTSLZWIJEW-OAHLLOKOSA-N 372.310 4.865 0 1 FJAF Clc1ccc(CC2(c3nc4c(Br)ccnc4[nH]3)CC2)cc1 587074541 YYTZSUIYZRERRY-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587149867 NURNIDWRYMMVLJ-KRWDZBQOSA-N 352.800 4.952 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587150433 PQOYQSYQCSCQGJ-GOSISDBHSA-N 352.800 4.952 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1cccc(Cl)c1)O2 587377401 HUCALACCZFIOLJ-IBGZPJMESA-N 352.821 4.728 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)c(F)c(Cl)c1)[C@@H](C2)C3=O 587424629 QKGICXMBWYBKPK-BTDLBPIBSA-N 353.176 4.630 0 1 FJAF O=C1C[C@@H](c2cccn2Cc2ccccn2)Oc2c1ccc1c2CCCC1 587511457 GTKYIGFXNOTVSR-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(F)cc2)N1 587729895 DWMCOYXOQZHMKX-ZMZPIMSZSA-N 366.249 4.935 0 1 FJAF CCOc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587803511 WWFJYSKBICKTCS-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF Cc1cc(=O)oc2cc(OCc3cc(-c4cccc(Cl)c4)no3)ccc12 1772634827 ZRTHNJSKNJVZNC-UHFFFAOYSA-N 367.788 4.989 0 1 FJAF COc1ccccc1[C@H]1N=Cc2cccn2[C@@H]1C(=O)c1ccc(Cl)cc1 2382242891 JDCMMXNKAHYZKB-UXHICEINSA-N 364.832 4.748 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CN(C(C)C)C2 36381549 CZIACNCULOWAAI-UHFFFAOYSA-N 357.504 4.707 0 3 FJAF CC(C)C[C@@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 95564824 CZMCMIZPCAPJFO-PBHICJAKSA-N 350.842 4.780 0 3 FJAF COc1ccc2c(c1OC)[C@H](C)N(C)c1c-2ccc2cc3c(cc12)OCO3 13378555 NDRJOHZGHCUTCQ-LBPRGKRZSA-N 363.413 4.764 0 1 FJAF endogenous,in-man Cc1ccsc1/C(=C\CCN1CCC[C@H](C(=O)O)C1)c1cccs1 13827958 VZSYFEZWPMQBNC-IDLNSJDISA-N 361.532 4.736 0 1 FJAF CCCCC/C=C\C[C@H](O)c1ccc(/C=C\[C@@H](O)CCCC(=O)O)cc1 13885251 PMXCCDGQXSYFOD-FNJQITKASA-N 360.494 4.876 0 1 FJAF investigational CN(CCC1CCN(C/C=C/c2ccccc2)CC1)C(=O)c1ccccc1 14946535 QPTZKLFMLGRBBU-DHZHZOJOSA-N 362.517 4.574 0 1 FJAF CCC(=O)[C@@H](c1cccc(OC)c1)C1CCN(CCc2ccccc2)CC1 27859736 MIPBKFYQQWZSDG-XMMPIXPASA-N 365.517 4.713 0 1 FJAF CC(=O)N1Cc2ccc(NC(=O)c3ccccc3)cc2CCc2ccccc21 28571252 HXUMISARVNWILI-UHFFFAOYSA-N 370.452 4.591 0 1 FJAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@H]1c1ccc(C)cc1 28649379 JSLNJKCMEWUAAJ-IBGZPJMESA-N 363.413 4.554 0 1 FJAF COc1ccc([C@@H](OC(C)=O)c2ccc3ccccc3c2)c(OC)c1OC 28894482 WBXRDCCQRXCZNY-FQEVSTJZSA-N 366.413 4.518 0 1 FJAF O=C(NCCc1c[nH]c2ccccc12)c1ccccc1-c1ccc(F)cc1 40974884 GDUJQFIDWWKPIY-UHFFFAOYSA-N 358.416 4.947 0 1 FJAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)sc1C 82219725 ZHBLWKVBCAJPRT-STQMWFEESA-N 368.506 4.959 0 1 FJAF CC(C)=CCC/C(C)=C/CC[C@]1(C)Oc2ccc(C(=O)O)cc2C[C@@H]1O 85991349 KSXMPLFGEDQAEG-KHZDUMCXSA-N 358.478 4.912 0 1 FJAF CCCCc1ccc(-n2c(=O)c(CCCC)c(O)c3cccnc32)cc1 100820124 AEXPPAQJCCGHOC-UHFFFAOYSA-N 350.462 4.777 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1ccc2c(ccn2C)c1 115765881 LGAORATVXHGMLU-UHFFFAOYSA-N 366.852 4.882 0 1 FJAF CC(C)Nc1nc2nccnc2c(Cl)c1-c1c(F)cc(F)cc1F 169221148 PKVRXPSEOAFHKW-UHFFFAOYSA-N 352.747 4.583 0 1 FJAF C[C@H](c1ccccc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222372918 BSXBVSWEULDBKN-OAHLLOKOSA-N 367.452 4.668 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@@H](C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@@H](OC)O1 238758938 DDLXKCMOPRPBNK-OSPAXXCOSA-N 366.542 4.902 0 1 FJAF N[C@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587026219 VUXJCAGJXFORQA-SNVBAGLBSA-N 365.302 4.710 0 1 FJAF Cc1ccc(-c2cc(-c3nc4ncc[nH]c-4n3)c3cccc(Cl)c3n2)o1 587082709 CHORXGPKCWBZPP-UHFFFAOYSA-N 361.792 4.742 0 1 FJAF Clc1ccc2ccc(-c3nc4ncnc(Cl)c4[nH]3)nc2c1Cl 587083248 KTYOYZDDKYXYOO-UHFFFAOYSA-N 350.596 4.528 0 1 FJAF COc1ncc(C)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587107992 XHVNAAPKNYFVAI-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2cc3c(cc2[nH]1)OCO3 587148800 HPSRXSMCGDHSOF-FQEVSTJZSA-N 361.376 4.632 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587242378 UKFVPLPIYXWNMH-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350335 DOUSCSIGXBVLOK-LJRRJQAVSA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c1[nH]c1c(C)cc(C)cc31)O2 587396799 PKVCBDYXLSEXOM-HSZRJFAPSA-N 360.457 4.872 0 1 FJAF COc1ccc(-c2ccccc2[C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587402450 CVLDOXJUVQKAAL-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1-c1cncnc1)CC2=O 587490974 QMYAQNUFLLFXIH-NRFANRHFSA-N 360.413 4.508 0 1 FJAF Cc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559365 WNNMZMCMAZCMPZ-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF CC[C@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615833 HPRDMYRLDLKNKE-WIYYLYMNSA-N 350.370 4.561 0 1 FJAF COc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1F 587782550 PLOYZSAFORKPKT-UHFFFAOYSA-N 364.376 4.662 0 1 FJAF Cc1cccc(OC[C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803910 YHGGLEXTCIPAPF-KZULUSFZSA-N 364.258 4.551 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([C@@H]3C[C@H]3C)o2)N1 587831008 VDCQWXLSBBWACE-MFOGRAASSA-N 364.258 4.928 0 1 FJAF CC1=COc2ccccc2[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587844644 XTINRGVSHXXADL-BUXKBTBVSA-N 374.253 4.662 0 1 FJAF O=C1C=C2C(c3ccc(-c4ccccc4)cc3)=C[C@@H]3C[C@@]2(O1)[C@H]1CCCCN31 653893432 HUNWQSIPMJBLKA-XRODADMRSA-N 369.464 4.599 0 1 FJAF C[C@]1(c2ccncc2Cl)c2ccsc2CCN1Cc1cccnc1 963002334 ZLBIYBPBSZDGTJ-IBGZPJMESA-N 355.894 4.513 0 1 FJAF Cc1ccc([C@]2(C[C@H](C)CC(=O)O)NCCc3c2sc(C)c3C)cc1 963025786 REPPFHYNTQAHEK-SZNDQCEHSA-N 357.519 4.564 0 1 FJAF COc1ccc(NC2=C[C@@]3(CCC2)NCCc2cc(Cl)ccc23)cc1 963392031 XHJCCKLLMNCNLU-OAQYLSRUSA-N 354.881 4.870 0 1 FJAF Cc1cccc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 1857563638 OVDJCQXWZCWBSR-UHFFFAOYSA-N 352.441 4.791 0 1 FJAF Cc1ccc2nc(O)c(-c3nc4cc(Br)ccc4[nH]3)cc2c1 1857652553 NBCZLJJKAATXFF-UHFFFAOYSA-N 354.207 4.555 0 1 FJAF C=C(c1ccccc1OCCCOc1ccc(Cl)cc1)n1ccnc1 28764611 XHUKEYSONGRMID-UHFFFAOYSA-N 354.837 4.903 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 29568419 CCQPFCCZWSBRTL-XCEGCCPNSA-N 361.441 4.755 0 1 FJAF CCO[C@@H](CC(=O)O)c1ccc(OCc2ccc(C(F)(F)F)cc2)cc1 38464335 PHBHQFDEPQQVCZ-KRWDZBQOSA-N 368.351 4.837 0 1 FJAF O=C(NCc1ccccc1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1 66066055 UICBTIIAVGGGGI-UHFFFAOYSA-N 366.424 4.641 0 1 FJAF CCOc1ccc(-c2nc(CN[C@H]3C[C@@H]4C[C@H]([C@@H]3C)C4(C)C)co2)cc1 72101675 UYYNNPPQRIBMQK-UQOODKLHSA-N 354.494 4.901 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(F)c3)ncnc21 82184728 HSJXZTXGWKTEQX-CYBMUJFWSA-N 353.445 4.501 0 1 FJAF CCCCCn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187617 NOOOIWBTNJARKN-UHFFFAOYSA-N 367.472 4.688 0 1 FJAF COc1cc(Nc2ncnc3c2sc2ccccc23)cc(OC)c1OC 95574261 LMEOHKMIEQLWAV-UHFFFAOYSA-N 367.430 4.614 0 1 FJAF CC[C@H](C)[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197796 NXJYCVLHPIOEMR-VHSXEESVSA-N 359.417 4.902 0 1 FJAF CCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2Cl)cc1 103199429 AVUOBTHXXAYQGG-LLVKDONJSA-N 370.232 4.901 0 1 FJAF O=C(Nc1ccccc1)c1ccc(Oc2c(Cl)cnc3[nH]cnc23)cc1 103275402 YIHBMYWIHTUMMS-UHFFFAOYSA-N 364.792 4.656 0 1 FJAF C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118921397 ITRLYOYEKVDKEE-IWXGMBDMSA-N 358.522 4.634 0 1 FJAF Fc1cc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)ccn1 139411704 NMOSIKNIMSJPAY-UHFFFAOYSA-N 359.364 4.609 0 1 FJAF C[C@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCCC3)c2)c(F)c1 143658631 PWCYDILYVCDGCC-ZDUSSCGKSA-N 371.408 4.712 0 1 FJAF N#Cc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 144375752 CPQPLYWLSNFIEB-UHFFFAOYSA-N 351.365 4.534 0 1 FJAF CC1(C)C(=O)CC[C@@]2(C)[C@@]1(O)CC[C@H]1Cc3c([nH]c4ccccc34)[C@]12C 238756634 JQTRPSHLFTZYHC-UIJCFEMGSA-N 351.490 4.518 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@@]5(C)[C@H]4CC[C@@]32CN1C 253989050 GPLGAQQQNWMVMM-LBTZLOQLSA-N 356.598 4.810 0 1 FJAF COc1cc(C(=O)OC2CCCC2)nc2c(OCC=C(C)C)cccc12 299840136 UQIFOUIGYYEIAU-UHFFFAOYSA-N 355.434 4.688 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3cncc(Br)c3[nH]2)cc1 586898705 LOFZDCLFJQTHGY-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Clc1ccccc1OCc1ccc(-c2nc3cc4[nH]ncc4cc3[nH]2)o1 587064872 PKQVMEFIYBCGDW-UHFFFAOYSA-N 364.792 4.932 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587192503 UVAWCAVYGNKMKF-MRXNPFEDSA-N 372.856 4.568 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232942 DKPWMTCZJFYUMZ-NWDGAFQWSA-N 369.387 4.743 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1 587339388 QDUIDOPGMMCJOP-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(=O)C4CCCC4)c1)[C@@H](C2)C3=O 587444666 FVDMSUQVGSMXPA-MBSDFSHPSA-N 362.425 4.557 0 1 FJAF CCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611840 KCBKYFUNTFVEPM-YLJYHZDGSA-N 367.426 4.504 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721922 WWIJUNBFARNWLV-BMLIUANNSA-N 352.222 4.659 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587746121 LKJFPWMHZSUKAW-BBATYDOGSA-N 359.242 4.937 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ccc23)N1 587804593 RRZLDQDBUBUJJB-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF CC(C)C(=O)C[C@@]1(C(C)C)c2cccc(F)c2CCN1[C@H]1CCSC1 962695835 FWEBEPSTXUNQII-HRAATJIYSA-N 363.542 4.656 0 1 FJAF Cc1cnc([C@@H](CC(=O)O)c2cc(Cl)cc(-c3ccncc3)c2)s1 1772616334 PXNULZJKNKVOLL-INIZCTEOSA-N 358.850 4.774 0 1 FJAF C[C@H](O)c1ccc2c(-c3cccc(C(N)=S)c3)cn(CCC(F)F)c2c1 1857607526 FFNPACXCVWQWKN-LBPRGKRZSA-N 374.456 4.651 0 1 FJAF O=C1Nc2ccccc2C1=C(c1cccc(F)c1)c1nc2ccccc2[nH]1 1857624553 MEVPRNFNZQYFKY-UHFFFAOYSA-N 355.372 4.613 0 1 FJAF Cc1nc2c(cc1Cn1cc(-c3ccsc3)nn1)CCCc1ccccc1-2 1857643725 DKGVWBYWSZQTOO-UHFFFAOYSA-N 372.497 4.914 0 1 FJAF COC(=O)[C@@H]1[C@H](C)CC[C@@]2(C)[C@@H]3C[C@@H](OC(C)=O)C=C(C)[C@@]3(C)CC[C@H]12 2356504293 KIPBJOAUMJHVAI-QYTHKTJHSA-N 362.510 4.526 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC=C(C)[C@@H](O)CC=C(C)C 2356532836 ZCOFHYGAZMGATH-QFIPXVFZSA-N 364.526 4.638 0 1 FJAF CCCN1CCC(COc2nc3ccc(Cl)cc3c3c2CCCN3)CC1 13492890 FGMBGIOKYWHDQV-UHFFFAOYSA-N 373.928 4.747 0 1 FJAF C/C(=C\C(=O)Nc1ccc2c(c1)OCCO2)c1ccc(C(C)(C)C)cc1 13606885 KMBWCPFCZKOCQV-FYWRMAATSA-N 351.446 4.797 0 1 FJAF CC[C@@](O)(c1cccc(OCc2ccc(F)c(F)c2)c1)c1nccs1 26283850 JQMMFNNRUNQNQT-LJQANCHMSA-N 361.413 4.646 0 1 FJAF Nc1c(C(=O)c2cccc(F)c2)sc2nc(-c3cccs3)ccc12 27081415 VXXYHPDPWMEAJC-UHFFFAOYSA-N 354.431 4.977 0 1 FJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C(C)=O)cc1 28221185 OQESCBRDHRVWJG-UHFFFAOYSA-N 374.462 4.679 0 1 FJAF C[C@]1(CCCCCC(=O)Nc2ccccc2N)Cc2ccccc2C1=O 28824223 SVHXLKFQEVLXLY-QFIPXVFZSA-N 350.462 4.603 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4N(C)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29409855 QHNHXSFBBNVOAL-IBYXJFIJSA-N 374.613 4.808 0 1 FJAF C[C@@]1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC1(Cl)Cl 34659888 BBFYMAXRHYOFPI-SFHVURJKSA-N 366.288 4.835 0 1 FJAF CCC[C@H]1CNC(=O)C12CCN(C1(c3ccc(C)s3)CCCCC1)CC2 38147580 IBBBSENXABSARG-SFHVURJKSA-N 374.594 4.844 0 1 FJAF CNc1nc(-c2cc(OC)c(OC)c(OC)c2)c(-c2ccc(C)cc2)s1 95558500 JWNNOOACYUYWEJ-UHFFFAOYSA-N 370.474 4.853 0 1 FJAF CC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]21 105481268 QFCVBBVIEYWCNL-WJFKRZNGSA-N 358.441 4.584 0 1 FJAF Cc1cccc(Oc2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c1 222329652 ACWWBXAGCBHIGJ-UHFFFAOYSA-N 369.424 4.617 0 1 FJAF C[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21 222332873 OJYVFIGZGJDMSR-CQSZACIVSA-N 368.440 4.820 0 1 FJAF CS(=O)(=O)CCCCCCCc1ccc(OCc2ccccc2)cc1 473159183 OSBGXGBKJNYTHH-UHFFFAOYSA-N 360.519 4.803 0 1 FJAF COc1ccc(Br)c2c1Cc1c-2nc2cccc3c2c1CC3 587207235 DSYFHHXUPPEPEN-UHFFFAOYSA-N 352.231 4.676 0 1 FJAF Cc1cnc(Cl)c2[nH]c([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)nc12 587225550 LMYPJQAZLCMDLM-ZDUSSCGKSA-N 364.877 4.676 0 1 FJAF COc1cccc([C@@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587403424 LZOXVZJIBSUIJG-PGRDOPGGSA-N 351.446 4.648 0 1 FJAF CC[C@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 587409552 HXEUKQQMJWQCIQ-MRXNPFEDSA-N 366.280 4.672 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)cc1O)CC2=O 587464699 WFXSIGRSMIXHHO-KRWDZBQOSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCC[C@H]1Cn1ccnc1)CC2=O 587471178 OLMJJPUKXCIHDJ-KSFYIVLOSA-N 368.477 4.526 0 1 FJAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2cc(Cl)ccc21 587500544 PYPLHTLXOONVFZ-LJQANCHMSA-N 366.848 4.812 0 1 FJAF O=C1C[C@@H](c2ccc(Oc3ncccn3)cc2)Oc2c1ccc1c2CCCC1 587515523 PELBZFMMUJDZCM-NRFANRHFSA-N 372.424 4.854 0 1 FJAF CCOC(=O)[C@@H]1CCCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524370 NCGFXRCHQRHWCX-WMZHIEFXSA-N 370.489 4.803 0 1 FJAF CC[C@H](C)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600962 CGOIERNJZJTDCP-LTRXETERSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@@H]3C=C[C@H]2C3)N1 587820409 PFFSRPRHHRGPBB-GZFAXTPVSA-N 350.275 4.550 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CCc3ccccc32)N1 587824138 URLLJFHWVHGPIZ-KOXAJKMWSA-N 360.270 4.894 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(O)cc2)N1 587834989 UVJHKCUKLBEIAH-BBATYDOGSA-N 364.258 4.502 0 1 FJAF CC1(C)CCC(Cc2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)CC1 587962927 KSBKGZLVYSTFLT-UHFFFAOYSA-N 374.428 4.615 0 1 FJAF CCS(=O)(=O)c1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587969710 VISZOTRNUFNTII-RAXLEYEMSA-N 362.454 4.680 0 1 FJAF CC(C)CN1CC[C@@]1(C(=O)NCc1cccc2ccccc12)c1ccccc1 1857599409 UOFWVKHHOMSCEP-VWLOTQADSA-N 372.512 4.713 0 1 FJAF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1ccc(Cl)cc1 1857766952 FCNYLILITSILTI-CQSZACIVSA-N 355.762 4.507 0 1 FJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@H]1Cc2ccccc2O[C@@H]1O 2356307270 QSMNOZMIWMHZFD-NYDSKATKSA-N 371.521 4.534 0 1 FJAF CSc1cccc(N2C(=S)N[C@@H]3c4ccccc4O[C@]24CCC[C@H]34)c1 4919970 JWXNPEZZNWFCCK-POAQFYNOSA-N 368.527 4.733 0 1 FJAF N=C(N)c1cc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2cc1Cl 5974814 RPGVMAPDADAHPV-UHFFFAOYSA-N 362.820 4.540 0 1 FJAF in-vivo CCC/C=C1\CCCO[C@](C(=O)NCc2ccccc2)(C(F)(F)F)C1 13828969 CUMSVDVDOMMYBC-PSSQXEACSA-N 355.400 4.531 0 1 FJAF O=C(O)[C@@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12 28766870 SMVMNUMZZOVMDR-SFHVURJKSA-N 359.347 4.774 0 1 FJAF Cc1nn(CCO)c(-c2ccccc2)c1Cc1cc(Cl)cc(Cl)c1 45245251 VWQUEUYYUQYJON-UHFFFAOYSA-N 361.272 4.748 0 1 FJAF CC(C)(C)Cn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O 72106750 NSYTZQQJJMAJAT-UHFFFAOYSA-N 354.881 4.827 0 1 FJAF Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2cccc(Cl)c2)Nc2ncnn21 72111987 AJCWHKAAYSQCIM-GJZGRUSLSA-N 363.223 4.870 0 1 FJAF CC[C@@H]1[C@H](C)c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]21 105481263 QFCVBBVIEYWCNL-HLXNBZPMSA-N 358.441 4.584 0 1 FJAF Fc1cc(Br)cc2nc(CCc3cc4ccccc4o3)[nH]c12 586904176 RIUQFBQVVVNJTQ-UHFFFAOYSA-N 359.198 4.996 0 1 FJAF CCOC(=O)[C@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096819 HPFPKZGMPZMAEG-SFHVURJKSA-N 371.436 4.738 0 1 FJAF Cc1cccc(NC(=O)Cc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1C 587238841 GHNFLAITADEJLQ-UHFFFAOYSA-N 365.330 4.519 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C(F)(F)F)ccc1Cl)O2 587382831 SWIGQFIAKSUIHW-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@H](C)c1ccc(C(F)(F)F)cc1)[C@@H](C2)C3=O 587418852 AYJCLMFSKLFMFZ-XAILHKCVSA-N 362.347 4.634 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccncc3)s1)CC2=O 587492614 AXSWLRLTHXFCIW-QGZVFWFLSA-N 366.442 4.570 0 1 FJAF O=C1C[C@@H](c2ccnn2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507643 NPGSUZMAXZMXBG-NRFANRHFSA-N 362.404 4.597 0 1 FJAF C[C@@H](c1ccccc1)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515859 WLJCPTOUOSUJEI-XDHUDOTRSA-N 361.485 4.736 0 1 FJAF CC[C@@]1(c2ccc(O)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587521217 BIZWPYWITORWRH-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF Cc1ccc(OCc2nc3cc(Br)cc(Cl)c3[nH]2)cc1 587565656 OWLQBKIGCUCUMI-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF CCCCc1ccc(NC(=S)n2ncc3ccc(Cl)cc3c2=O)cc1 587655164 UXIIZIAAVBJCMY-UHFFFAOYSA-N 371.893 4.638 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ncccc23)N1 587780153 YWCONOCCQOGFPV-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCOC2CCCC2)N1 587810811 MAGZBLUPGGZDQK-PIGZYNQJSA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3occc3c2)N1 587835330 VLEFXWAUWQRXCO-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nccnc1C1CC1 587865923 PJDBSWQNHCYFBQ-UHFFFAOYSA-N 374.366 4.624 0 1 FJAF O=C(c1cc2cc(Cl)ccc2[nH]1)n1nc2cc1Oc1ccc(F)cc1-2 587874171 RESOYJHRQSLYIW-UHFFFAOYSA-N 353.740 4.618 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc(C(=O)N(C)C)ccc3[nH]2)cc1 587929955 BRFWYDFSPZITRJ-UHFFFAOYSA-N 371.440 4.607 0 1 FJAF NC(=O)c1cccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957115 GYXHJHCLMMEAIN-UHFFFAOYSA-N 373.497 4.580 0 1 FJAF COc1ccc(Br)cc1-c1cc(COCc2ccccc2)on1 1857595065 KMDKEQAGFWBYKF-UHFFFAOYSA-N 374.234 4.830 0 1 FJAF CCN=c1cc(C)c2cc(NC(=O)c3ccc(Cl)c(Cl)c3)ccc2[nH]1 1857631030 REYSTKJIUUEBCJ-UHFFFAOYSA-N 374.271 4.956 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(OC)c3c(c1)OCO3)O2 2356508309 UIWUAELYQAENKN-BUXKBTBVSA-N 354.402 4.703 0 1 FJAF CO[C@@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)[C@@H](C)C(C)=O 2356656205 DYTYLMNUPWHHGQ-NHYWBVRUSA-N 350.509 4.643 0 1 FJAF CC(=CCc1cc(C(=O)O)ccc1O)CC[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)O2 2356777847 FDXWQZPEESTRTQ-NNMXDRDESA-N 358.478 4.953 0 1 FJAF Cc1ccc(C2=NO[C@](C)(c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 13660356 JMMNHLJIBWBYBL-IBGZPJMESA-N 353.809 4.738 0 3 FJAF COc1ccc(-c2nc(NCc3ccccc3)c3ccccc3n2)cc1OC 752845 QZPJZDUGJRFNJJ-UHFFFAOYSA-N 371.440 4.926 0 1 FJAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775394 XWNLKRHRARJNJB-UHFFFAOYSA-N 352.409 4.924 0 1 FJAF CC(C)CCC(=O)CC[C@]1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 4214665 JZFZEWWOIOYBTQ-YTFSRNRJSA-N 357.538 4.702 0 1 FJAF in-man CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(N3CCCC3)c2c1 12437920 SKNCSAIINAWCPW-UHFFFAOYSA-N 360.457 4.773 0 1 FJAF CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1C[C@H](O)c1ccccc1 13600315 IQMYQKPHIUDPJW-UKILVPOCSA-N 370.496 4.918 0 1 FJAF CC1(C)CCC(C)(C)c2cc3c(cc21)CN(c1ccc(C(=O)O)cc1)C3=O 26381950 ZFGHCUQSWCSJJE-UHFFFAOYSA-N 363.457 4.894 0 1 FJAF O=C1c2ccccc2CN1CCCCN1CC[C@H](c2ccc(Cl)cc2)C1 28770228 DITXJRIVUJRJED-SFHVURJKSA-N 368.908 4.566 0 1 FJAF CC(C)=CCc1c(O)ccc2c3c(oc12)-c1cc(C=O)c(O)cc1OC3 49088268 AGFXXWXSPAYWMF-UHFFFAOYSA-N 350.370 4.725 0 1 FJAF biogenic,in-vivo Nc1ccc(-c2ccc(Br)cc2)cc1NC(=O)c1ccccc1 49088312 MPUICDSEVNEGIC-UHFFFAOYSA-N 367.246 4.951 0 1 FJAF in-vivo Cc1ccc2c(C(=O)O)c(O)c(C3(c4ccc(Cl)cc4)CC3)nc2c1C 58638749 FUHSQIQHVOBKIJ-UHFFFAOYSA-N 367.832 4.989 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)cc1 101891309 WAATZNBFXLCSHV-OAHLLOKOSA-N 367.474 4.817 0 1 FJAF Oc1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(F)cc2)n1 169726288 IARLBHSZNIZUSF-MRXNPFEDSA-N 373.840 4.997 0 1 FJAF O=C(CCc1ccc(-c2ccccc2F)cc1)Nc1ccccc1C(=O)O 473110966 YQQPEGGOJPACJN-UHFFFAOYSA-N 363.388 4.762 0 1 FJAF Cc1cc(Cc2nc3ccc(C(C)(C)C)nc3[nH]2)ccc1Br 586977845 UFIIRDMYVWKFIS-UHFFFAOYSA-N 358.283 4.917 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2ccc3ncccc3c2[nH]1 586982060 ZJDYOZFTWRLSMM-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF CCc1ccc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2c1 587020239 JHUQNCCKGDFOEC-UHFFFAOYSA-N 358.467 4.520 0 1 FJAF Clc1ccc(C2(c3nc4cc(Br)ncc4[nH]3)CCC2)cc1 587076665 NYTUPTZZSMPQTJ-UHFFFAOYSA-N 362.658 4.844 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587195008 FBXVLPXZEAMANM-JTQLQIEISA-N 351.347 4.939 0 1 FJAF Oc1ccc(Nc2cccc(-c3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587242689 PKCDAURLLOFLSE-UHFFFAOYSA-N 373.412 4.840 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)cc4)o1)[C@@H](C2)C3=O 587426194 ADOSUMVUKYNLDA-YCRPNKLZSA-N 350.345 4.583 0 1 FJAF O=C1C[C@H](c2ccc3[nH]nc(Cl)c3c2)Oc2c1ccc1c2CCCC1 587498748 KABFWVKEXHBGJG-GOSISDBHSA-N 352.821 4.802 0 1 FJAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(F)c1F 587506480 NXFGATZROGQFNS-GOSISDBHSA-N 358.384 4.949 0 1 FJAF Cc1c(C=O)c2ccccn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518834 QSKCEPWKKGFWPJ-NRFANRHFSA-N 359.425 4.646 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1cccc(F)c1 587656333 XLQRBIRMCXJULT-UHFFFAOYSA-N 366.342 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C/c2ccco2)N1 587830431 TUQQOFBPZQYCPT-GWDCIYSYSA-N 350.231 4.644 0 1 FJAF CC/C(=C\c1nc2ccc(S(=O)(=O)CC)cc2[nH]1)c1ccc(C)cc1 587968009 RJPWMCGRKVXCNL-NTCAYCPXSA-N 354.475 4.616 0 1 FJAF C=[S@](O)(=NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 1857607829 FRERRYRPCJUPDE-JOCHJYFZSA-N 353.896 4.569 0 1 FJAF CCC=CCC=CC=C[C@@H](O)CC=CC=C[C@@H](O)CCCCCC(=O)O 2356351615 BCWQNTXSYCKTHB-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(OC=O)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356855214 RAPGMQQTEPEGFO-HRQSHJORSA-N 350.499 4.972 0 1 FJAF CC(=O)Nc1cc(-c2ccsc2)cn2c(-c3ccc(F)cc3)cnc12 61896426 JSYAOIMIDWTOQO-UHFFFAOYSA-N 351.406 4.827 0 3 FJAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(-c2ccccc2)cc1 767628 IJFINYZDJLNBGI-FYYLOGMGSA-N 370.452 4.534 0 1 FJAF COc1ccc2c(c1)C(CCCN1CCN(c3ccccc3)CC1)=CCC2 13733291 GFPSKAXAVWQUOE-UHFFFAOYSA-N 362.517 4.627 0 1 FJAF CC(C)=CCC/C(C)=C/CCCC[C@@H](P(=O)(O)O)[P@](C)(=O)O 13742061 TXSAXNBTLJLALN-YVGNARHYSA-N 352.348 4.644 0 1 FJAF CC[C@](O)(c1cccc(OCCCc2ccccc2)c1)c1nccs1 26277668 KUFDFWHZVMYOMT-NRFANRHFSA-N 353.487 4.801 0 1 FJAF CCCC[C@H](C)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 38494325 HYWUHKAWNFZUTL-URVGFRBGSA-N 350.499 4.526 0 1 FJAF Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCC3)c12 45323806 FAUSTTMLUSMDPH-UHFFFAOYSA-N 354.841 4.504 0 1 FJAF Cn1c(CN2CCC(c3ccc(C(F)(F)F)cc3)CC2)nc2ccccc21 45348327 SCFTWYRRDFJRSO-UHFFFAOYSA-N 373.422 4.972 0 1 FJAF O=C1NC(=O)[C@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)S1 45375164 FCQXSRQDBUWZDW-AWEZNQCLSA-N 368.241 4.680 0 1 FJAF Cc1c(-c2ccccc2)nn(-c2cccc(C(=O)O)n2)c1-c1ccccc1 103249870 IHAXKFIPFBJGLR-UHFFFAOYSA-N 355.397 4.608 0 1 FJAF O=C(O)c1ccc(CCc2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)cc1 164828147 RWMSHPMFVSBUIY-UHFFFAOYSA-N 360.388 4.852 0 1 FJAF Cc1noc(C)c1-c1cc2c(c3c1CCCC3)NC(C)(C)C(=O)C2(C)C 473124122 NCKMIPZAZKMFMA-UHFFFAOYSA-N 352.478 4.888 0 1 FJAF OCc1cccc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 586895308 WPCHESRATCUUSQ-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF Cc1ncc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(C)c1Br 586978777 HFAUEOAMXSETSB-UHFFFAOYSA-N 374.135 4.561 0 1 FJAF Cc1nc(C)c(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)s1 587011296 FSMNHYVTIUHHJS-UHFFFAOYSA-N 361.776 4.779 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3csc(-c4ccc5c(c4)CCO5)n3)nc12 587017634 OAHREASOUDCXRU-UHFFFAOYSA-N 368.849 4.645 0 1 FJAF Cc1cc(Br)c2[nH]c([C@@H](N)Cc3ccccc3Cl)nc2c1 587058084 CQNJWJGCIFJKHN-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(SC(F)F)cc1)[C@@H](C2)C3=O 587423992 MVEZSFPJBLGAQS-LIRRHRJNSA-N 362.397 4.673 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Sc4ccccc4)o1)[C@@H](C2)C3=O 587450393 FTAVTTHDJQMMHS-YCRPNKLZSA-N 364.422 4.928 0 1 FJAF CCCn1nc(C2CC2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517032 ZMHKEALBWZXZFQ-NRFANRHFSA-N 350.462 4.756 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 587565504 KJTJQQXGKMCMNA-UHFFFAOYSA-N 366.461 4.991 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C(F)F)N1 587714022 DZMGMPWIUMGFSO-BTDLBPIBSA-N 370.212 4.631 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C(F)F)N1 587720272 SHUNUHLXCXFWQC-DYZYQPBXSA-N 370.212 4.631 0 1 FJAF Cc1cccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587731335 ZAQVZQJYJPMOQY-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1csc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587845275 DGTWIKWWRJQSQI-MGPLVRAMSA-N 354.288 4.756 0 1 FJAF Cc1cc(C(F)(F)F)nn1CCc1nc(-c2cc(F)ccc2F)cs1 587921637 MYSHKNAHLIGDMX-UHFFFAOYSA-N 373.350 4.855 0 1 FJAF NCCCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772584300 FBIBXJLKVJBRPF-UHFFFAOYSA-N 357.668 4.642 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3cnc4ccccc4c3)oc2c1 1911582603 JTNOFMOZIWTIGU-RUZDIDTESA-N 352.330 4.613 0 1 FJAF Cc1cccc(-c2nc(NCc3ccc4c(c3)OCO4)c3ccccc3n2)c1 752855 KOSQYGGTEHNJQU-UHFFFAOYSA-N 369.424 4.946 0 1 FJAF CC(C(=O)Nc1ccccc1Br)(C(F)(F)F)C(F)(F)F 3189050 ZYTLBYDZUGBULP-UHFFFAOYSA-N 364.083 4.519 0 1 FJAF biogenic Cc1cccc(NC(=O)Cc2ccc(-n3c(C)nc4cccnc43)cc2)c1C 6900776 DOAAQTXUQUROSB-UHFFFAOYSA-N 370.456 4.527 0 1 FJAF CC(C)=CCC[C@@]1(C)Oc2c(CC=C(C)C)cc(C(=O)O)cc2C[C@@H]1O 13461827 BZURYTKOXWYRAG-SIKLNZKXSA-N 358.478 4.694 0 1 FJAF biogenic,in-vitro Cc1ccc([S@@](=O)(=NC(=O)Nc2ccc(Cl)cc2)NC(C)C)cc1 13902868 JWPLNQXQVGEYRP-DEOSSOPVSA-N 365.886 4.620 0 1 FJAF CC[C@@]1(CC(=O)O)OC[C@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26375642 LYCDISHWFIQTOZ-SBUREZEXSA-N 363.457 4.913 0 1 FJAF Cc1cccc2c([C@H](O)[C@@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 27523641 PAZWBPKSOQPBME-UGKGYDQZSA-N 350.437 4.525 0 1 FJAF O=C(O)c1ccc2c(c1)nc(-c1ccc(O)cc1F)n2C1CCCCC1 28121910 UZTQJKISZOMBJV-UHFFFAOYSA-N 354.381 4.751 0 1 FJAF CN(C(=O)[C@@]1(C)CC2c3ccccc3C1c1ccccc12)c1nccs1 40913375 OODSITSYQDCJCK-AJTFCVKESA-N 360.482 4.793 0 1 FJAF Clc1ccc(CN(CC/C=C/c2ccccc2)n2cnnc2)c(Cl)c1 40950477 KBEHJXMJCPGYJS-XBXARRHUSA-N 373.287 4.827 0 1 FJAF CC(C)(C)CCN1CCC[C@@H](NC(=O)c2cc(Cl)cc(Cl)c2)C1 66156353 NTUDVDVWUJGHJL-MRXNPFEDSA-N 357.325 4.624 0 1 FJAF Cc1ccccc1N1C(=O)[C@H](c2ccccc2)C[C@H](c2ccccc2)C1=O 73200248 CHZJGWKLMTVFHR-OYRHEFFESA-N 355.437 4.826 0 1 FJAF CCCCCNc1ncnc2c1nc(C1CCCCC1)n2C[C@H]1CCCO1 82186505 BGPAWBKUOUFFTP-QGZVFWFLSA-N 371.529 4.655 0 1 FJAF COc1ccc(SC[C@@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 84705067 KJAFJYBODAUFPQ-INIZCTEOSA-N 367.514 4.682 0 1 FJAF Cc1ncc(CO)c2c(Nc3ccccn3)c(NC3CCCCC3)oc12 95572308 SCUULWWMQRHEKW-UHFFFAOYSA-N 352.438 4.512 0 1 FJAF Cc1csc(NC(=O)c2cccc(COc3cccc(Cl)c3)c2)n1 95755539 KZOJAGAKORRHJK-UHFFFAOYSA-N 358.850 4.936 0 1 FJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)[C@H]4C[C@]3(C=C4C)CC[C@@H]21 101534630 APKLREKCWOJZOX-BNKSHDSWSA-N 374.521 4.670 0 1 FJAF O=C(Nc1ccc(Cl)cc1)N[C@H]1CC[C@H](Oc2ccc(F)cc2)CC1 103236494 CLWMKYAGZBNMTM-MAEOIBBWSA-N 362.832 4.991 0 1 FJAF O=C(Nc1ccccc1F)Nc1ncccc1OCc1ccc(F)cc1 206938222 JYELHWXHUAOFDI-UHFFFAOYSA-N 355.344 4.583 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 586886103 DTQXGMRHAMENLV-ZBEGNZNMSA-N 350.340 4.607 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cc(Cl)cc(Br)c2[nH]1 586962161 OUYFFQIRHACQEE-ZETCQYMHSA-N 369.675 4.622 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cccc(O)c1CC3 586992260 SXXIZOSWBXDJPZ-UHFFFAOYSA-N 365.388 4.623 0 1 FJAF COc1cc(-c2nc3cc4c(cc3[nH]2)OCO4)cc(Cl)c1OCC(C)C 587046217 NNUUOCXOJJBTOH-UHFFFAOYSA-N 374.824 4.655 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587050877 RWAGPBFVIQKINO-UHFFFAOYSA-N 355.612 4.544 0 1 FJAF Cc1ccnc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587337698 MKRVKJDUUFUTBH-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc(F)c1Cl)CC2=O 587468340 WNWQVUKZSBBXLB-INIZCTEOSA-N 352.764 4.983 0 1 FJAF COC[C@@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498247 DLCQJEMQDZEQGS-OAQYLSRUSA-N 356.849 4.726 0 1 FJAF C[C@@]1(CCC(F)=C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547566 LVKKLWBSTYJLFA-KXBFYZLASA-N 364.319 4.970 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccn2C(C)(C)C)N1 587753425 IRVUNAUTNNREJX-APPDUMDISA-N 365.290 4.768 0 1 FJAF CSc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587843814 JLKJMWZKKNIKSB-BMLIUANNSA-N 366.299 4.934 0 1 FJAF CC(C)OC(=O)[C@H](C)N(C(=O)c1ccco1)c1c(Cl)cccc1Cl 1857541839 QVXCXYZAVANRBK-NSHDSACASA-N 370.232 4.573 0 1 FJAF CCN=c1cc(-c2ccc(NC(=O)Nc3ccc(C)cc3)cc2C)cc[nH]1 1857648672 JVQYKYYQBSKHKQ-UHFFFAOYSA-N 360.461 4.863 0 1 FJAF C[C@H](O)C=CCC=CC[C@@H](O)C=CC=CCC=CCCCCCC(=O)O 2356340150 INESDRVMAJDUCT-SFTDATJTSA-N 362.510 4.715 0 1 FJAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](C(=O)O)[C@H](O)CCCO)CC1 2356349544 HLBPUFFLXMVORW-PLACYPQZSA-N 368.558 4.934 0 1 FJAF Clc1ccc(CNc2ccnc(-c3ccc4[nH]ncc4c3)n2)cc1Cl 72139714 ZYPJRFNOUPSZFL-UHFFFAOYSA-N 370.243 4.939 0 3 FJAF CC(C)(C)c1cc(/C=C2/C(=O)Nc3ccccc32)cc(Br)c1O 26827139 OVVMFLJCHGJUQK-MDWZMJQESA-N 372.262 4.945 0 1 FJAF CN(C)[C@H]1CCC[C@@H]1N(C(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28238190 IENHEXFICZMHDO-IRXDYDNUSA-N 355.309 4.609 0 1 FJAF O=C(CCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccc(F)cc3c12)c1ccco1 29319711 HMWCSFUVGFNRSK-KDOFPFPSSA-N 352.409 4.625 0 1 FJAF CCOc1ccccc1-c1nc(CNC23CC4CC(CC(C4)C2)C3)co1 72179963 NJVWIQIABDMGJI-UHFFFAOYSA-N 352.478 4.799 0 1 FJAF CCOc1ccc(-n2cc(CSc3nc4ccccc4s3)nn2)cc1 73197178 ZEEQJVBCYUFEPD-UHFFFAOYSA-N 368.487 4.568 0 1 FJAF CC[C@@H](C)Cn1c(CCc2ccccc2)nc2c(NCC(C)C)ncnc21 82221633 ACNZNQAULLPQEO-QGZVFWFLSA-N 365.525 4.726 0 1 FJAF COc1ccc(C)cc1NC(=O)OC1C[C@@]23CCCC[C@]2(CC(=O)C3)C1 102220775 IOIOMZDUUHLONY-SFTDATJTSA-N 357.450 4.624 0 1 FJAF COc1ccc(N2C(=O)C(C)(C)[C@@H]2c2ccc(Br)cc2)cc1 169324229 KDDBNUPOOZXQHG-INIZCTEOSA-N 360.251 4.572 0 1 FJAF CCC(CC)(c1ccccc1)c1c[nH]c2c(NS(C)(=O)=O)cccc12 202433965 BSLBAZBTEKUDPX-UHFFFAOYSA-N 356.491 4.646 0 1 FJAF Cc1cc([C@H]2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc(C)c1N 299827057 OPKGPPNZVCDGFM-HSZRJFAPSA-N 359.425 4.971 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@@H]3CC3(F)F)nn2-c2ccccc2)cc1 299831028 XSIZJNIOOVBCEX-INIZCTEOSA-N 368.387 4.947 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3ccc(Br)nc3[nH]2)cc1 586898028 FEIAFDDBWKXXSE-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Cc1oc2c(c1-c1nc3ccc(F)c(Br)c3[nH]1)C(=O)CCC2 586903106 GYLBYMXAWKKWDI-UHFFFAOYSA-N 363.186 4.552 0 1 FJAF CNc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586988559 LVBZXMZMUNIPIO-UHFFFAOYSA-N 352.393 4.861 0 1 FJAF Cc1c(-c2ccccc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586990671 HXKWNVVWLVEUBX-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1C 586997956 FKAFEUGLHPDYST-XQRVVYSFSA-N 371.234 4.841 0 1 FJAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587070105 PSSBRFNVIAMNDT-LBPRGKRZSA-N 370.836 4.754 0 1 FJAF Cc1cc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Cl 587126940 OZOVHZIUMXEVGC-AMIZOPFISA-N 369.778 4.696 0 1 FJAF Fc1ccc(/C=C/c2nc3ccc(F)c(Br)c3[nH]2)c(F)c1 587151311 YGOXAKCFTKGUEU-QHHAFSJGSA-N 353.141 4.913 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2c(C)c(Br)cnc2[nH]1 587156708 YCOIPGSMVKFMSA-GFCCVEGCSA-N 364.218 4.698 0 1 FJAF COc1cccc(-c2cc([C@@H]3CCOC3=O)nc3c2oc2ccccc23)c1 587366381 OUIVSFPZODFQIR-HNNXBMFYSA-N 359.381 4.687 0 1 FJAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)s1 587379601 YYCIFJJKKJUROE-AZUAARDMSA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(F)(F)C(F)(F)F)O2 587381484 JPUAAZMSANFLCW-INIZCTEOSA-N 371.305 4.636 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCC1CC1)[C@@H](C2)C3=O 587421161 TYLSFANODPBZOV-KKSFZXQISA-N 370.832 4.626 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Cl)nc1Cl)CC2=O 587460754 JNTRIRHFYTWSKJ-CQSZACIVSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnc(Cl)c(Cl)c1)CC2=O 587463300 WGKJVYGKJYSRGC-GOSISDBHSA-N 366.244 4.927 0 1 FJAF CN(C)/C=C/[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501086 FKYOHMTUHSBJOR-YAOQVBECSA-N 365.448 4.641 0 1 FJAF C[C@]1(c2ncccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505902 IXYOBEQOLRGGKT-LJQANCHMSA-N 361.363 4.860 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CC1 587602072 IQGZHHPWMTYXAU-OFNKIYASSA-N 358.393 4.659 0 1 FJAF Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603650 OOSYRBJASYJXBU-OFNKIYASSA-N 358.393 4.504 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC(F)(F)CC2)N1 587715346 CHDDJKXEOHBJJN-PSLIRLAXSA-N 362.233 4.989 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2ccn3C)N1 587759681 VAIVUZNWJLDVBW-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(Cl)n1 587853758 BFPYQNZRSXYBEA-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF Cc1ccc(C)c(Cc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587959741 UFWOGJQSHFXCQT-UHFFFAOYSA-N 350.647 4.581 0 1 FJAF CCS(=O)(=O)c1ccc2nc(/C=C/c3cccc4ccccc34)[nH]c2c1 587969708 VISZOTRNUFNTII-JLHYYAGUSA-N 362.454 4.680 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC1OCCO1)C1CCCCC1 963223819 DFWAWNFIAIMZED-WZONZLPQSA-N 357.538 4.882 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]2(c1cccc(C)c1)C(C)(C)C 963603946 CORPSFPAXYWNBJ-WAIKUNEKSA-N 353.506 4.836 0 1 FJAF CC1=C(Cc2nn[nH]n2)c2ccccc2/C1=C\c1ccccc1C(F)(F)F 1857542973 FHWBBJPTRKTILK-YBEGLDIGSA-N 368.362 4.789 0 1 FJAF COc1ccccc1-c1csc([C@@](O)(c2ccccc2)C(F)(F)F)n1 61907055 SNSYQFGSPRGEJZ-KRWDZBQOSA-N 365.376 4.617 0 3 FJAF c1ccc(N2CCN(c3cccc(-c4cc5ccccc5s4)n3)CC2)nc1 61926513 PYRDAXQAGWPVLA-UHFFFAOYSA-N 372.497 4.685 0 3 FJAF CN(c1ccc(NC(=O)CCc2c[nH]c3ccccc23)cc1)c1ccccn1 95598685 AABJMDDLXFJXJS-UHFFFAOYSA-N 370.456 4.902 0 3 FJAF Cn1c(=O)c2c(-c3ccccc3)nn(-c3ccccc3)c2c2ccccc21 3957891 RMZKGCVSKNPPIG-UHFFFAOYSA-N 351.409 4.544 0 1 FJAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCCC2)c1 6521914 GHPMIBNDBNJHAL-UHFFFAOYSA-N 370.493 4.649 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 28527712 UOQUGIWUWKCTLJ-GNXKAVGDSA-N 350.506 4.815 0 1 FJAF CC(C)Nc1ncc(-c2cc(-c3ccccc3Cl)nc(N(C)C)n2)s1 64539782 ICEIOGQLXCVBJH-UHFFFAOYSA-N 373.913 4.807 0 1 FJAF Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)s2)cs1 64631694 OBCQUUGOXLBFGC-UHFFFAOYSA-N 364.517 4.598 0 1 FJAF O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCCC1 84703594 GHOZMJIIOHPEBE-UHFFFAOYSA-N 351.837 4.576 0 1 FJAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccc(Cl)cc2)c1 95574108 GTYCYIWKXWVOBS-UHFFFAOYSA-N 366.848 4.804 0 1 FJAF O=C(Nc1ccc2ccccc2n1)Nc1cccc2c1[C@H]1CCCCN1C2=O 118089177 AWEGSLJDAPXFHZ-GOSISDBHSA-N 372.428 4.560 0 1 FJAF Cc1cccc(-c2nccnc2C2CN(c3nc4ccccc4s3)C2)c1 140114064 OWKLYJSZNHPWQW-UHFFFAOYSA-N 358.470 4.666 0 1 FJAF CCC(=O)O[C@@]1(c2ccccc2)c2ccccc2CC[C@H]1N(C)CC1CC1 169331136 CSWUKIAEUIZYIL-VWNXMTODSA-N 363.501 4.540 0 1 FJAF O[C@H]1C[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc21 586901264 GLZMTFJIIJZTIJ-FZMZJTMJSA-N 363.642 4.548 0 1 FJAF CC(C)(C)c1ccc2[nH]c(-c3cccn4c(Br)cnc34)nc2c1 587007199 NUHVVYLWZMYKOE-UHFFFAOYSA-N 369.266 4.938 0 1 FJAF Clc1ccc(C2(c3nc4cc(Br)cnc4[nH]3)CCC2)cc1 587075380 IBIJIQUXWNHJBT-UHFFFAOYSA-N 362.658 4.844 0 1 FJAF O=C(O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587094826 ISPWKIQPDFUKJM-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF N[C@@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F 587154311 DBLICIKRFCIGCL-JPYJTQIMSA-N 373.431 4.623 0 1 FJAF CCC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587361101 XKEYOKFICXHAFR-NQSCKRDGSA-N 370.420 4.608 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCC(C(=O)OC(C)(C)C)CC1)CC2=O 587488062 XOSJCRVOSFEAMW-UHFFFAOYSA-N 374.477 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=C(C)C)Oc2cc(O)ccc21 587491798 PSMYUVYSRADGAO-JOCHJYFZSA-N 366.413 4.597 0 1 FJAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc5sccc5c4)o3)nc2n1 587563111 DOXXLSGEONKHFV-UHFFFAOYSA-N 361.382 4.578 0 1 FJAF CC(C)c1ccc2nc(-n3ncc4ccc(Cl)cc4c3=O)sc2c1 587653332 FSFPVGSHKFYUJE-UHFFFAOYSA-N 355.850 4.772 0 1 FJAF CC[C@]1(c2cccc(F)c2)N[C@H](C)Cc2ccc(F)c(Br)c21 587727999 CMIYNUIKIWSGTA-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3[nH]ccc23)N1 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CCCCC1([C@H](O)/C=C/[C@@H]2CCC(=O)[C@@H]2CCCCCC(=O)O)CCC1 169315190 KFWNCNNBGJRBNK-YNPGYMDCSA-N 364.526 4.894 0 1 FJAF O=[S@@]1C=CC(c2ccc(O)cc2Cl)=C1c1ccc(O)cc1Cl 584905455 UXPFSXONZPFVSC-JOCHJYFZSA-N 353.226 4.549 0 1 FJAF in-vitro CSc1ccc2nc(COc3ccc(Br)cc3C)[nH]c2c1 586981241 MSOYDQGEWLCPGV-UHFFFAOYSA-N 363.280 4.935 0 1 FJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@H]21 587027206 QNXMCNJKQGKYJF-IPELMVKDSA-N 365.502 4.699 0 1 FJAF Cn1nccc1[C@@H]1CCCc2nc3cccc4c3c(c21)-c1ccccc1C4=O 587103754 AJMSXKIMDWHNEY-INIZCTEOSA-N 365.436 4.648 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cc(Br)cc(C)c3[nH]2)cc1 587201600 UFEGRKHZUAILAQ-UHFFFAOYSA-N 374.282 4.990 0 1 FJAF CC1(C)[C@@H]2[C@H]1CC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350155 HJZFRNROABZHIV-DCZASFAJSA-N 352.405 4.695 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(c1)c1ccccc1n4C)[C@@H](C2)C3=O 587431908 RPTAYUKIXRGEHB-UUOWRZLLSA-N 369.420 4.829 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cnc(C4CCCCC4)s1)[C@@H](C2)C3=O 587449451 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2356655804 KSQYVPHTTWSOHG-YNGFEMSNSA-N 360.545 4.909 0 1 FJAF O=C(Nc1ccccc1N1CCCCC1)c1ncoc1-c1ccc(F)cc1 4932718 KIRMGLGMDDHLCV-UHFFFAOYSA-N 365.408 4.723 0 3 FJAF aggregator c1ccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c(C2CCCCC2)c1 27302966 LPBGUAFZOBNPGK-UHFFFAOYSA-N 374.532 4.933 0 1 FJAF Cc1cccc2c1C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C 28527495 RINLMMHEMBDTAG-UHFFFAOYSA-N 354.538 4.666 0 1 FJAF COc1ccccc1-c1c[nH]c2ncc(-c3cccc(C(=O)N(C)C)c3)cc12 44459900 HROYHKUVXLFBMO-UHFFFAOYSA-N 371.440 4.607 0 1 FJAF O[C@@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 53296127 CUZYESXNFSPXJT-OAHLLOKOSA-N 374.362 4.954 0 1 FJAF CCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@H]2C)c(-c2ccccc2)n1 82132259 QDOOHIBOEWXEDT-VQIMIIECSA-N 366.509 4.664 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2C)o1 82177459 HXEKLCFRSJKFKU-HUUCEWRRSA-N 362.477 4.898 0 1 FJAF CC(=O)C[C@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(Cl)cc1 103176585 UEWXQPJOKRHBNJ-IBGZPJMESA-N 364.836 4.613 0 1 FJAF Cc1ccc(CNc2cc3c(cc2O)[C@H](c2ccccc2)CN(C)CC3)cc1 299833391 RYHACVCHCMPULY-QHCPKHFHSA-N 372.512 4.933 0 1 FJAF Cc1ccc(-c2cnc(C3(NCc4c[nH]c5cccnc45)CCCC3)[nH]2)cc1 473093068 STKMQDGJMIPNSB-UHFFFAOYSA-N 371.488 4.821 0 1 FJAF CCc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)cc1Br 586977296 KPWFPBIZGZWZDD-UHFFFAOYSA-N 370.172 4.969 0 1 FJAF Cc1cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2cc1Cl 586997028 LPDCLTFKVDOAHU-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Fc1cc2[nH]c(CNc3ccccc3Cl)nc2cc1Br 587061174 BXAIMQPNDOIYMB-UHFFFAOYSA-N 354.610 4.730 0 1 FJAF COc1ncccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096846 LFGKNOPBMHFRPQ-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587116856 LFIAWVHOSAPQOK-UHFFFAOYSA-N 368.668 4.654 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c(C(F)(F)F)c1F)O2 587382426 PRTXBHKUVHLYOA-KRWDZBQOSA-N 371.305 4.755 0 1 FJAF COc1cccc([C@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587403425 LZOXVZJIBSUIJG-XMSQKQJNSA-N 351.446 4.648 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ccccc1F)CC2=O 587465405 CFBYIGWYTQLDGJ-OAQYLSRUSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC(C)C)cc1O)CC2=O 587485444 WONYDQYEJZQYAZ-OAQYLSRUSA-N 370.445 4.792 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603333 MDIXVDKHAABJOH-NZQKXSOJSA-N 358.393 4.504 0 1 FJAF Cc1c(Cl)ccc2sc(-n3ncc4ccc(Cl)cc4c3=O)nc12 587654247 QKCQUYKKXPFLGB-UHFFFAOYSA-N 362.241 4.611 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587783315 NQRVUZPDVWIYKB-UHFFFAOYSA-N 368.742 4.618 0 1 FJAF COc1cc(C)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811579 WHORTFDBOBHUCX-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccs2)N1 587850214 CVZRWVHTVQKWKB-HWPZZCPQSA-N 354.288 4.642 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587926035 GNICAVWLKURFFL-VIFPVBQESA-N 368.330 4.678 0 1 FJAF COc1ccnc(Nc2nc(-c3ccc(OC(F)(F)F)cc3)cs2)c1 621429285 YEBBDNKSBISUMB-UHFFFAOYSA-N 367.352 4.856 0 1 FJAF Cc1cc(C)c(NC(=O)c2sc3nc4c(cc3c2N)CCCC4)c(C)c1 653697816 LAJBITZTQGIOJJ-UHFFFAOYSA-N 365.502 4.935 0 1 FJAF Fc1cccc2c1[C@@H](c1cc(CN3CCCCC3)cs1)N1CCC[C@H]1C2 963111537 OVZKXGSUPCGIPR-PGRDOPGGSA-N 370.537 4.983 0 1 FJAF CC1CCN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2C(=O)O)CC1 8602069 BYCPSKPXNXKMGB-UHFFFAOYSA-N 372.852 4.527 0 1 FJAF O[C@@](Cn1ccnc1)(c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1 26849267 BTOQYKKYPOUZGJ-HSZRJFAPSA-N 358.416 4.625 0 1 FJAF COc1cc(Nc2nccc(-c3ncc(C)s3)n2)cc(C(F)(F)F)c1 40379232 ZCPTVEVIYXDFQI-UHFFFAOYSA-N 366.368 4.680 0 1 FJAF O=c1ccoc2cc3occc3c(OCCCCOc3ccccc3)c12 42988631 SISLNMPYYYCLEE-UHFFFAOYSA-N 350.370 4.777 0 1 FJAF Cc1cc(C)c(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45168748 ZOWNMACSRLEUJC-UZLBHIALSA-N 365.439 4.885 0 1 FJAF COc1ccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)cc1 84596797 PUUIFRIHCXPFEM-UHFFFAOYSA-N 373.441 4.987 0 1 FJAF CC1CCN(C(=O)c2csc(Nc3ccc(Cl)cc3F)n2)CC1 96283053 JQPJFOCBVPNBNK-UHFFFAOYSA-N 353.850 4.551 0 1 FJAF C[C@H]1[C@H]2Cc3ccc(C(=O)Nc4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100877626 OVRRAJPGDYSIJW-YRSQORNKSA-N 374.528 4.873 0 1 FJAF COCO[C@@H]1C[C@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)CO)[C@@H]2CC[C@@]1(C)C3 103269710 MBEXDVODIOJSHS-CWAYHHJTSA-N 350.543 4.771 0 1 FJAF CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 103964419 QEFSVMMQNKAURV-HNNXBMFYSA-N 374.897 4.961 0 1 FJAF O=C(O)c1cc(F)cc2nc(-c3ccc(-c4ccccc4)cc3F)[nH]c12 113983052 WVRNSZJWVRIHDE-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF COc1ccc(Cl)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 169699916 BKERAVSNJRNRTP-UHFFFAOYSA-N 352.821 4.912 0 1 FJAF COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn23)cc1 205739956 JBEPPTCVRRYDMQ-UHFFFAOYSA-N 350.809 4.802 0 1 FJAF CC(=O)N1[C@H]2CC[C@@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 299820322 KXVANVFVPHMDSA-WKCHPHFGSA-N 371.427 4.613 0 1 FJAF CSc1cccc(N=c2[nH]c(-c3ccc4c(c3)ncn4C)cs2)c1 473087895 MCCAIOIAWSCLLB-UHFFFAOYSA-N 352.488 4.584 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(-c3cncc(Cl)n3)cc2)on1 473091416 XJTZCWWPQJETEL-UHFFFAOYSA-N 371.828 4.727 0 1 FJAF CCOc1ccc(NCc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)cc1 473152720 VSMPUBDIKSIYMG-QGZVFWFLSA-N 352.478 4.570 0 1 FJAF CCc1cc(OCc2nc3cncc(Br)c3[nH]2)ccc1Cl 587052764 LPXKCIUDLNJJTI-UHFFFAOYSA-N 366.646 4.515 0 1 FJAF c1ccc(CN(Cc2nc3cc4cn[nH]c4cc3[nH]2)c2ccccc2)cc1 587196295 QACAEIAWHAVFCH-UHFFFAOYSA-N 353.429 4.646 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](C2)C3=O 587420678 LNNCGNSHDIUQMA-GTNSWQLSSA-N 368.738 4.856 0 1 FJAF CCC[C@@H](OC)c1ccc([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441111 RKBQSZNHFVPTED-PWHSHALESA-N 366.457 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c(F)cc(F)cc31)CC2=O 587472392 PPHMTIBROHQSMS-NRFANRHFSA-N 374.383 4.656 0 1 FJAF COc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809360 PVKQXLFFJMKHNZ-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF Oc1ccc(-n2c(O)cc(Cc3ccccc3)c2O)cc1-c1ccccc1 587925603 JMVOBYYATYZEKJ-UHFFFAOYSA-N 357.409 4.852 0 1 FJAF Fc1ccccc1[C@@H]1CC(c2ccc3c(c2)OCCO3)=NN1c1ccccc1 653899385 NTXLOJXBCYAVOE-NRFANRHFSA-N 374.415 4.953 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(N1)c1ccccc1-c1cccc(N)c12 962950654 HOIDANZWLUCETM-BZQUYTCOSA-N 365.480 4.947 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(Cl)cc2C(=O)O)N1 962951936 PHUUAODOVYEFEV-KZULUSFZSA-N 354.837 4.533 0 1 FJAF CSc1ccccc1N1CCN(CCc2coc3ccccc23)CC1 1857771388 BDTYHPQQVKNLEA-UHFFFAOYSA-N 352.503 4.519 0 1 FJAF CCC/C=C1/CCCO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C1 13828963 CUMSVDVDOMMYBC-ODZYNRFZSA-N 355.400 4.531 0 3 FJAF CS(=O)(=O)c1ccc(C=C(c2ccc(F)cc2)c2ccc(F)cc2)cc1 28120617 AAXDKCSQCFEDKK-UHFFFAOYSA-N 370.420 4.957 0 1 FJAF O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccccc2)O1 29480416 YUDDKXRBCZPNFK-WLBISTCBSA-N 363.240 4.740 0 1 FJAF COc1ccc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc1OC 38445580 KKZHTAYUVGTMSF-UHFFFAOYSA-N 373.416 4.529 0 1 FJAF CC(C)[C@H](N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(F)c1 72118488 GPAUZJIZNZCNPD-KRWDZBQOSA-N 365.374 4.898 0 1 FJAF COc1cc(OC)cc(Oc2cc(NCc3ccc(Cl)cc3)ncn2)c1 82068369 DQRQMBJZYGABLJ-UHFFFAOYSA-N 371.824 4.552 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NC[C@H](C)c3ccccc3)ncnc21 82188889 RQWVXRDNFLGEFD-HOTGVXAUSA-N 363.509 4.965 0 1 FJAF COC(=O)C[C@H](C)CCc1ccc(Oc2ccc(OC(C)C)nc2)cc1 96167507 QGCFHHAECMRPHJ-MRXNPFEDSA-N 357.450 4.793 0 1 FJAF COc1cccc(CN(Cc2cccc(OC)c2)c2ccc3nc[nH]c3c2)c1 96173838 HVYYOHKMUKCOOS-UHFFFAOYSA-N 373.456 4.787 0 1 FJAF Cc1ccccc1-c1ccc([C@H]2[C@H]3CN(C(=O)C4CCCCC4)C[C@@H]2N3)cc1 100105413 CQUORXFBLRJTIQ-UBRQYEGLSA-N 374.528 4.509 0 1 FJAF NC1(c2ccc(-c3nc4cc(O)ccn4c3-c3ccccc3)cc2)CCC1 113657502 MUGMJCOSDPCGSO-UHFFFAOYSA-N 355.441 4.712 0 1 FJAF O=C1NC(=O)/C(=C\c2cccc(OCCC3CCCC3)c2Cl)S1 115794152 GPZOREUGYGIHDY-GXDHUFHOSA-N 351.855 4.623 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@H]2OC 149699245 HSNPSWRYBNJNOF-WCCBULMPSA-N 362.510 4.670 0 1 FJAF CCN(CC)CCS[C@@H](N=O)c1nc(-c2cccc3ccccc23)no1 169713438 RCIIRWCCFRILKB-LJQANCHMSA-N 370.478 4.730 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714048 IPGUXKPRPBBMKG-HZOWKKAVSA-N 357.538 4.874 0 1 FJAF COC(=O)[C@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 253637652 CBNNPWOODQAMIN-VWCOYNMGSA-N 371.527 4.516 0 1 FJAF O=C(N[C@@H](c1ccccc1)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 587220566 SRJUZVZTOBPGQC-IBGZPJMESA-N 361.832 4.736 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(C3CCC(C)CC3)CC1)CC2=O 587475153 MPNAQJDOISBCML-UHFFFAOYSA-N 371.521 4.723 0 1 FJAF C[C@]1(CCC(F)=C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547561 LVKKLWBSTYJLFA-DNVCBOLYSA-N 364.319 4.970 0 1 FJAF C[C@]1([C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600295 ALMVQCIJOIZAQT-FJQFAAFVSA-N 350.414 4.549 0 1 FJAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600957 CGOIERNJZJTDCP-AFCCGETMSA-N 352.430 4.939 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NCc1ccccc1Cl 587627928 FXTDNHQMJUTXID-UHFFFAOYSA-N 351.208 4.852 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2F)N1 587716742 DRNTWCZDASWXTJ-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2F)N1 587726847 LJQZMTMIUZXOKL-ZUZCIYMTSA-N 352.222 4.545 0 1 FJAF CC(C)O[C@@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813406 VLELGBIMFFAOBS-OMPKRAJASA-N 370.306 4.541 0 1 FJAF CCOC(=O)COc1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1 587923096 OGQZJOKPNZIGQA-UHFFFAOYSA-N 357.406 4.558 0 1 FJAF COc1ccc(/C=C/Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c1 587929325 NBGOHPDNLYLYHQ-ONEGZZNKSA-N 362.351 4.855 0 1 FJAF COc1cc(OC)c2[nH]c([C@H](Cc3ccccc3)c3ccccc3)nc2c1 587954923 DILLEDNOMJBZOG-LJQANCHMSA-N 358.441 4.955 0 1 FJAF Cc1ccnc2c1CCN[C@]2(CC(C)C)c1cccc(Br)c1 963069291 CXRNJRODWQLZFE-LJQANCHMSA-N 359.311 4.588 0 1 FJAF CCOC(=O)c1cc2cc(CC=C(C)CCC=C(C)C)c(O)cc2oc1=O 2356284066 MFERKRURLSASGH-UHFFFAOYSA-N 370.445 4.911 0 1 FJAF O=C(NCCc1ccccn1)c1c(-c2ccccc2)sc2ccccc12 61947982 PNCCBIVOKJYHIZ-UHFFFAOYSA-N 358.466 4.936 0 3 FJAF CCOC(=O)c1sc2nc(C)nc(NCCC3=CCCCC3)c2c1C 752831 PFROXAUUXFGMQA-UHFFFAOYSA-N 359.495 4.787 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1-c1cccnc1 28528204 HBDCNILCSISVQF-HGBASVHRSA-N 371.484 4.747 0 1 FJAF Cc1c(-c2ccc(O)cc2)nc(-c2ccc(O)cc2)n1-c1ccc(O)cc1 35325074 UWJXQCHDQIOQEB-UHFFFAOYSA-N 358.397 4.632 0 1 FJAF COc1cccc2scc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)c12 40872694 SLGLNCURHJGZOT-QPEQYQDCSA-N 355.440 4.944 0 1 FJAF Cc1c(-c2cccc(CNCCc3ccc(Cl)cc3)c2)cnc(N)c1C 45201472 DBVCIUPADFOWKM-UHFFFAOYSA-N 365.908 4.933 0 1 FJAF CN1CC[C@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3c(ccc4ccccc43)c12 100725759 LAODXGIVJPBGKB-AVRWGWEMSA-N 368.480 4.963 0 1 FJAF O/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(C(F)(F)F)cc12 117373036 ZFAHGJKXKXPLNN-BUVRLJJBSA-N 356.303 4.957 0 1 FJAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cc(Cl)cc21 143496209 MOIHNYROPFWTBP-QGZVFWFLSA-N 362.738 4.576 0 1 FJAF O=C(O)c1ccccc1-c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2 144738774 MSMLJLIYWWFDTP-FQEVSTJZSA-N 370.326 4.830 0 1 FJAF COc1nccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc12 587031371 RBGXZZQJCGFZFI-LBPRGKRZSA-N 364.474 4.926 0 1 FJAF Clc1ccccc1NCc1nc2c(Cl)c(Br)cnc2[nH]1 587060679 RMEZPUHTCHVRME-UHFFFAOYSA-N 372.053 4.639 0 1 FJAF FC(F)(F)c1cnc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2c1 587074000 RPVNRQXLWAFTAF-UHFFFAOYSA-N 351.759 4.904 0 1 FJAF COc1cc2nc([C@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2cc1OC 587112033 CVYKEHCEDDGDIE-LLVKDONJSA-N 364.367 4.945 0 1 FJAF Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)nc2cccc3c2c1CC3 587212866 RNQLMGGSAPKBAL-UHFFFAOYSA-N 352.478 4.756 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587242919 YYVCQBQPOPYRAA-UHFFFAOYSA-N 371.440 4.691 0 1 FJAF O=C1c2ccc(O)cc2OC2(CCC3(CC3)CC2)[C@@H]1c1ccc(F)cc1 587347974 BUEVSACWDFIZTE-LJQANCHMSA-N 352.405 4.983 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cncc(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587437042 VXXYUHFHKHPRAV-CVDCTZTESA-N 357.409 4.554 0 1 FJAF Cc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587506338 XDXLLHUXLVSUSI-KRWDZBQOSA-N 372.262 4.738 0 1 FJAF Cc1cccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587513966 WCHLNIWYNJNOJU-NRFANRHFSA-N 358.441 4.766 0 1 FJAF CC[C@]1(c2ccc(OC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523341 LJOUIWADXUBBOV-HSZRJFAPSA-N 364.441 4.761 0 1 FJAF C[C@@]1(CCC(F)=C(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587547543 LVKKLWBSTYJLFA-BEFAXECRSA-N 364.319 4.970 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cccc1Cl 587558665 SREOAWJFLRKAQA-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C(F)F)N1 587714021 DZMGMPWIUMGFSO-BMLIUANNSA-N 370.212 4.631 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2F)N1 587725189 CAYMLPWGAFVLPR-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF Cc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587818953 SYNRYKKFGYRKKT-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc(Br)cnc2[nH]1 587952483 RVWRDGJUGGZIAM-QKCSRTOESA-N 352.276 4.767 0 1 FJAF COc1cccc2cc3c(cc12)C(=O)N(c1ccccc1C(F)(F)F)C3=O 1857610550 CNHUJUUSKYQHRP-UHFFFAOYSA-N 371.314 4.668 0 1 FJAF COc1ccc([C@@H]2c3ccc(OC)cc3O[C@H]2c2cccc(OC)c2)cc1 1857744423 UPMSWICUWCTLQT-PKTZIBPZSA-N 362.425 4.978 0 1 FJAF O=C(NC1CC1)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 1016221 ZTRBOBVGGNZMJG-JLRKOSBYSA-N 358.485 4.875 0 1 FJAF CCCC(=O)c1c(O)c(CC=C(C)C)c2oc(=O)cc(CCC)c2c1O 14586031 HDHKEYMZRICGLG-UHFFFAOYSA-N 358.434 4.648 0 1 FJAF endogenous,in-man CC(C)CC[C@@]1(c2ccccc2)CC(=O)[C@@H](Sc2ccccc2)C(=O)O1 18114271 DZTDBSQBBORCIN-IRLDBZIGSA-N 368.498 4.995 0 1 FJAF O=C(O)c1cc(Br)ccc1Nc1cccc(C(F)(F)F)c1 29133766 WWTNJEXUBOVALJ-UHFFFAOYSA-N 360.129 4.910 0 1 FJAF FC(F)(F)c1cccc(Nc2nccc(-c3ccc4c(c3)OCO4)n2)c1 72120330 KNLSVEADBVICIJ-UHFFFAOYSA-N 359.307 4.635 0 1 FJAF CCc1cnc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2)s1 82162584 KWYIWWFPFWJFAG-UHFFFAOYSA-N 352.507 4.922 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169370079 LKCRMGJZGXVDFH-VUSRFXHWSA-N 357.538 4.515 0 1 FJAF CCO[C@@H]1CC[C@@H]2[C@@H](CC[C@@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 195514619 ZOYLVBQKNCQNAG-JYTYBTRMSA-N 366.505 4.622 0 1 FJAF Cc1cc2[nH]c(-c3oc4c(c3C)[C@H](O)CCC4)nc2cc1Br 586905700 ZFXVTRNUWNBIQI-CYBMUJFWSA-N 361.239 4.572 0 1 FJAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OCCCO4)cc1 586970992 NFULDRSSVYYDJB-UHFFFAOYSA-N 354.475 4.509 0 1 FJAF Cc1cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c2cc1Cl 587119984 MEZLHEQTAUJHKD-UHFFFAOYSA-N 368.790 4.667 0 1 FJAF CCOc1cc(/C=C/c2nc3c(Cl)ccnc3[nH]2)ccc1OC(F)F 587130678 NVRTUIHNIRHSIB-GQCTYLIASA-N 365.767 4.782 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc2c1 587241422 BIINSRLHFCBJPZ-UHFFFAOYSA-N 357.385 4.730 0 1 FJAF Cc1csc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587536636 YEANJOJNPPTBIE-LJQANCHMSA-N 364.470 4.828 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(Cn3cncn3)c2c1 587642031 IWRLNAGEBRMJNG-HNNXBMFYSA-N 360.461 4.997 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC2(C)C 587818119 BUIRTNYFDFLZPE-MPBGBICISA-N 374.297 4.948 0 1 FJAF Cc1ccc(C)c(Cc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587959231 NNWVTLHKDBWFRE-UHFFFAOYSA-N 350.647 4.581 0 1 FJAF COc1ccc2c(c1)[C@](CCc1cccc(F)c1)(C1CC1)N[C@@H]1CC[C@@H]21 962997675 RSZOPDKKAFSBGD-WWNPGLIZSA-N 351.465 4.922 0 1 FJAF COc1ccc(C)cc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772592451 IWBHFKLPIUEPJX-KRWDZBQOSA-N 353.443 4.734 0 1 FJAF CC(C)=CCC[C@@]1(C)Oc2cc(O)cc(CCc3ccccc3)c2C[C@@H]1O 1857586262 XQUVUAZOPHFHOJ-BJKOFHAPSA-N 366.501 4.978 0 1 FJAF CCOc1ccc2[nH]cc(C3=CCN(Cc4cccc(OC)c4)CC3)c2c1 1857614403 LNXJKTLOXRPPBG-UHFFFAOYSA-N 362.473 4.865 0 1 FJAF COc1cccc([C@@H]2Oc3ccc(F)cc3[C@H]2c2ccc3c(c2)OCO3)c1 1857635411 ODFZNJGNLMOTLY-YADHBBJMSA-N 364.372 4.829 0 1 FJAF CCC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccccc1O)O2)CC 1857769129 ATJZZFGWYRTNFA-LJQANCHMSA-N 368.429 4.799 0 1 FJAF Fc1cccc(F)c1-c1cc(N[C@H]2CCCCNC2)c2ccncc2c1 1911570927 WYWSNLKVCLGORI-INIZCTEOSA-N 353.416 4.734 0 1 FJAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@@H](C)C[C@H]1C 2356480630 KMGDCJDRYJVZCA-KUEUIXCOSA-N 371.477 4.607 0 1 FJAF CC(=O)N[C@@H](c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1 61930931 JTYZVTFYSGVUIF-FQEVSTJZSA-N 359.454 4.584 0 3 FJAF C[C@H]1Cn2c(C(=O)N[C@@H](C)c3ccccc3)cc3c(Cl)ccc(c32)O1 6750818 WJDFYRZAAURMQL-STQMWFEESA-N 354.837 4.567 0 1 FJAF Oc1ccc2c(c1)CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1 22931148 QGKGZEGBAYIKEG-IBGZPJMESA-N 356.554 4.543 0 1 FJAF Cc1cc(-c2cccc(Cl)c2/C=C/[C@H]2C[C@@H](O)CC(=O)O2)ccc1F 29480210 YUKSSJOXWUFEPS-CNBITHIKSA-N 360.812 4.534 0 1 FJAF CCN(C(=O)c1ccc(C)c(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1 49113401 VUKHGIZGZZHJES-SFHVURJKSA-N 374.488 4.933 0 1 FJAF Cc1cccc(COc2c(-c3ccccc3)oc3cc(O)cc(O)c3c2=O)c1 64528080 OWIBPYFESYGGGV-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF CC(=O)N[C@H](C)CCc1ccc(Oc2ccc(OCC3CCC3)cn2)cc1 96167482 RSUFAHXQSUYDOA-MRXNPFEDSA-N 368.477 4.510 0 1 FJAF CC(C)(C)C(=O)Nc1cc(NC(=O)c2c(Cl)cccc2Cl)ccn1 96282840 PSZKDSGPGQKJNS-UHFFFAOYSA-N 366.248 4.625 0 1 FJAF CCc1ccc(NC2=NN=Cc3cc4cc(OC)ccc4nc3S2)cc1 98083617 LNSVTGCTZQJRQJ-UHFFFAOYSA-N 362.458 4.714 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 100812362 CCQPFCCZWSBRTL-HGNAKJQVSA-N 361.441 4.755 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)[C@@H](C)C1(Cl)Cl 103272531 FQNRASSQPGZQOB-OTYXRUKQSA-N 369.119 4.872 0 1 FJAF OCc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1 139404512 OAFYTJIKNKPOSC-UHFFFAOYSA-N 370.412 4.567 0 1 FJAF CC(=O)O[C@@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 238755461 RUWAXMSQGBJERD-ZVTWKCCJSA-N 360.494 4.938 0 1 FJAF C[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O 238772649 IQOBRUHFIHSLSL-ZSYWTGECSA-N 370.530 4.701 0 1 FJAF COc1ccc(O)c2c1C(=O)[C@@H](c1ccccc1OCc1ccccc1)CC2 299869724 VHCBXBGIKAZSSG-GOSISDBHSA-N 374.436 4.893 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586963443 NWWZAEJECPYYSR-NSHDSACASA-N 369.277 4.917 0 1 FJAF Cc1ccc(C)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc12 586998114 GULHIPYJICGESZ-WAYWQWQTSA-N 371.234 4.841 0 1 FJAF O=c1ccc(-c2nc3ccccc3[nH]2)cn1Cc1ccc(Cl)cc1Cl 587056512 NJCOCKGFTUICKI-UHFFFAOYSA-N 370.239 4.747 0 1 FJAF Fc1cc(Br)cc2nc(CCc3ccccc3Cl)[nH]c12 587059503 RFXXPSYOARYQHX-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF Cc1c(F)ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c12 587082814 XFXVERFGYMGDKK-UHFFFAOYSA-N 356.788 4.564 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(C(C)(C)C)nc2[nH]1 587201917 ZAMSOHTVPBBXMF-UHFFFAOYSA-N 374.529 4.836 0 1 FJAF CCc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587359412 YOLDFYYQRHPSGV-RBBKRZOGSA-N 366.388 4.961 0 1 FJAF Cc1ncsc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372616 JXUZTFRSMWVNSE-YLJYHZDGSA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1c(Cl)cccc1Cl)O2 587373451 DINULBKTSBDVFY-GOSISDBHSA-N 350.245 4.851 0 1 FJAF CCCCOc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402607 ZTRMWVUYMMCEQG-QFIPXVFZSA-N 369.461 4.645 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4F)o1)[C@@H](C2)C3=O 587427788 VOAKELZVSIJONN-YEJXKQKISA-N 368.335 4.722 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587441384 FEVNUMFFBOZHBM-CYFREDJKSA-N 372.420 4.763 0 1 FJAF CC[C@@H]1C[C@H](C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604695 VJDSLTDSZGVWBC-RIELGZFVSA-N 352.430 4.939 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)c1 587615575 YPEGTRMSRWJRAO-YJBOKZPZSA-N 358.802 4.810 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3ncccc23)N1 587777002 FJTYGJUDSVISNJ-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587820000 YALPUBSVEJDAEK-BLVKFPJESA-N 360.270 4.621 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(Cl)cc2[nH]1 587870931 LPSCCEMTTFKVPP-UHFFFAOYSA-N 356.788 4.607 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(Br)cc(C)c3[nH]2)c1 587932016 RHYFBYFYOZSZNB-LLVKDONJSA-N 359.267 4.989 0 1 FJAF COc1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1OC 587956327 XBGCIALEVKKFTO-GOSISDBHSA-N 358.441 4.955 0 1 FJAF c1ccc(Cn2cc([C@@H]3NCCc4cccc(-c5ccccc5)c43)cn2)cc1 962660307 ICURAOAXGTZKNE-VWLOTQADSA-N 365.480 4.834 0 1 FJAF FC(F)(F)c1ccc2c(c1)C1(CCOCC1)CNC21CC2(CCC2)C1 962961534 VIXZTVAOHOWEHX-UHFFFAOYSA-N 351.412 4.516 0 1 FJAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccccc2F)cnc1N 1857571752 XUQQKHWUFWZJCJ-UHFFFAOYSA-N 355.800 4.684 0 1 FJAF COc1ccccc1-c1csc([C@](O)(c2ccccc2)C(F)(F)F)n1 61907056 SNSYQFGSPRGEJZ-QGZVFWFLSA-N 365.376 4.617 0 3 FJAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cc(F)cc(F)c2)cs1 61907784 DWCBMADVZWKRIN-KRWDZBQOSA-N 353.340 4.622 0 3 FJAF COc1ccc(Nc2c(-c3ccc(F)cc3)nc3nc(C)cc(C)n23)cc1 95571335 CDLQJUZZIBSLEZ-UHFFFAOYSA-N 362.408 4.904 0 3 FJAF O=C(O)[C@@H]1CCCN(CCCCCN(c2ccccc2)c2ccccc2)C1 13801350 MXDPDIVMBCBYLO-HXUWFJFHSA-N 366.505 4.792 0 1 FJAF O[C@@H]1Cc2cc(Cl)ccc2N[C@H](c2ccc(Br)cc2)C1 53314763 LUDNUQDOHLSXIR-ZBFHGGJFSA-N 352.659 4.563 0 1 FJAF Cc1cc(-c2cccc(F)c2)ncc1[C@H]1CCCN1C(=O)c1cncs1 72176014 SBLMAORAZUXHPI-GOSISDBHSA-N 367.449 4.630 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(n1ccc3cc(NC(=N)c4cccs4)ccc31)C2 101439269 ARTVGQKIWYUPOH-IAGOWNOFSA-N 364.518 4.938 0 1 FJAF Cc1cc(Nc2nccc3nc(-c4c(Cl)cccc4Cl)[nH]c23)ncn1 118749153 ONLCKHSHCLIXOC-UHFFFAOYSA-N 371.231 4.774 0 1 FJAF CCOC(=O)c1oc2cnccc2c1Nc1ccc2c(c1)CC[C@H]2N=O 169724430 OMOWQLFQUKOKPB-OAHLLOKOSA-N 351.362 4.502 0 1 FJAF Cc1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905367 MXHAWRXWKXJNPO-NSHDSACASA-N 354.303 4.659 0 1 FJAF Cc1ccc(SCc2nc3c(C)c(Br)cnc3[nH]2)c(C)c1 586963770 OWYDDZHWCOKOSG-UHFFFAOYSA-N 362.296 4.938 0 1 FJAF Cc1ccc(CSCCc2nc3cncc(Br)c3[nH]2)cc1 586971353 VCFUEVPBYYQLKV-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF Oc1ccccc1-c1cc(-c2nc3ncc[nH]c-3n2)c2cccc(Cl)c2n1 587082235 JUUGPXIINXNRDY-UHFFFAOYSA-N 373.803 4.546 0 1 FJAF Cc1ccc2c3c(c4c(nc13)Cc1cc(O)ccc1C4)-c1ccccc1C2=O 587100738 GVPTXSMKPPIXNV-UHFFFAOYSA-N 363.416 4.955 0 1 FJAF Cc1cc(Cl)cc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587120348 ZLFXYXXWUNDVKW-UHFFFAOYSA-N 368.790 4.667 0 1 FJAF Fc1cccc2c(-c3nc4c(Br)cc(Cl)cc4[nH]3)n[nH]c12 587176740 QFBZONMVKCUMLC-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF C[C@]12C[C@@H]1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354513 QWKXPSZLZBAHSN-JASAOFIISA-N 352.405 4.839 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccsc4)s1)[C@@H](C2)C3=O 587452722 UGUBQHMAPZBSFR-DJJJIMSYSA-N 354.452 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCNc3cc(Cl)ccc31)CC2=O 587459427 DFUJZNTUGQRRGR-HXUWFJFHSA-N 357.837 4.674 0 1 FJAF COc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587502354 QWBGJQRFPCYIFG-KRWDZBQOSA-N 358.821 4.640 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC12CCC(C(F)F)CC2 587552982 CTKJVAUADKKUKV-DBCMNUGHSA-N 360.356 4.548 0 1 FJAF Cc1cc(C)c(NCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587874241 ZBPBXJXVOZBFFB-UHFFFAOYSA-N 351.381 4.472 0 1 FJAF FC(F)(F)c1ncc2nc(Cc3ccccc3-c3ccccc3)nc-2[nH]1 587959675 RWBSQLOSNRYNQX-UHFFFAOYSA-N 354.335 4.581 0 1 FJAF C[C@@]1(c2ncc(Cl)s2)NC2(CC2)Cc2ccc(Br)cc21 961324669 MYKPLNOTRHTHKE-CQSZACIVSA-N 369.715 4.501 0 1 FJAF CCC[C@]1(CCCCC(=O)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963095825 DRIPYILQTZGLSJ-UGKGYDQZSA-N 361.501 4.965 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(OC)c(NC(C)=O)c1 963235059 FOBZWXIEKCDHLB-MWTRTKDXSA-N 366.505 4.574 0 1 FJAF O=C(O)CCc1cc2cc(-c3cc(C(=O)C4CC4)ccc3F)ccc2o1 1772585583 ZBFAQUJBQJNPBX-UHFFFAOYSA-N 352.361 4.849 0 1 FJAF Cc1cc(C)cc(-c2cc(C(=O)Nc3ccccc3Br)no2)c1 1857571082 XDYPQSOEVATFSU-UHFFFAOYSA-N 371.234 4.973 0 1 FJAF Cc1cc(-c2nc(F)cc3c(Nc4ccc(F)c(F)c4)c(N)oc23)ccn1 1857650096 FEPOEMFDXGRYAN-UHFFFAOYSA-N 370.334 4.941 0 1 FJAF Fc1ccc(-c2cnnn2Cc2csc(-c3ccc(Cl)cc3)n2)cc1 2382251927 UHCWCXBNYDVNQU-UHFFFAOYSA-N 370.840 4.909 0 1 FJAF COc1ccccc1CCCN1CC[C@@](C)(c2cccc(O)c2)[C@@H](C)C1 13833001 WFPPMRLHRNARMQ-FDDCHVKYSA-N 353.506 4.633 0 1 FJAF c1ccc(CC2CCN(CCSc3nc4ccccc4[nH]3)CC2)cc1 27562131 DPKZEFSLBNRNCR-UHFFFAOYSA-N 351.519 4.610 0 1 FJAF O=C1C2=C(CCCC2)C(=O)N1c1cc(OC2CCCC2)c(Cl)cc1F 34515810 PVJCIHKDZGVPQZ-UHFFFAOYSA-N 363.816 4.544 0 1 FJAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1 40848974 HNJPBQIQJGUESM-UHFFFAOYSA-N 371.406 4.672 0 1 FJAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1C[C@@H](C)CC 82180989 FDIKTAJXGGJULB-HNNXBMFYSA-N 369.488 4.619 0 1 FJAF CC(C)C(=O)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84668354 GLRWSJVGVRVHFK-INIZCTEOSA-N 353.409 4.897 0 1 FJAF CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)cc2c(C)cc(C)cc21 473155296 RKBQFQARDYWAHE-UHFFFAOYSA-N 364.489 4.802 0 1 FJAF COc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587073331 GGNGFKZHNGBBTM-QGZVFWFLSA-N 359.832 4.701 0 1 FJAF Clc1cccc2c(-c3nc4ncc[nH]c-4n3)cc(-c3ccccc3)nc12 587081963 AFVBIXOUDWMJJL-UHFFFAOYSA-N 357.804 4.840 0 1 FJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCC(C)C 587400287 MINQZSRNDRVNMT-HXUWFJFHSA-N 369.461 4.717 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)Nc3ccccc31)O2 587402001 UZWSXZIZYRKFOF-URXFXBBRSA-N 370.452 4.995 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C)c1)(c1ccccn1)CC2=O 587492105 WVONGMIBGSAGLF-DEOSSOPVSA-N 373.452 4.957 0 1 FJAF Cc1nc2ccncc2cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523865 HVXKYGDYWWHCKA-QHCPKHFHSA-N 358.441 4.698 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Cl 587558468 SKWBURNWNOOEOK-OXJNMPFZSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ncccc2c1 587587346 NVZNBCRYYODJFO-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2ccc(F)c(Cl)c12 587629491 SDAMCPCQWXUCAE-UHFFFAOYSA-N 371.717 4.755 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(C(F)F)c2)N1 587716106 IHIINKPDAHNPSW-VXJOIVPMSA-N 371.200 4.544 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(F)cc2F)N1 587726377 WZMRRHXFTHISAV-VVVCHXIZSA-N 370.212 4.684 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(F)cc2)N1 587731007 GQXDFDBCFDXOGA-BMLIUANNSA-N 352.222 4.545 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSC(C)(C)C)N1 587840848 NEGKVVKIXKVCSM-QFYYESIMSA-N 360.336 4.869 0 1 FJAF Cc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C 587873783 MJBTXMUFGIRUQF-CYBMUJFWSA-N 352.365 4.519 0 1 FJAF COc1ccc(C[C@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC 587927463 UVLBHHHTUOWTDM-VIFPVBQESA-N 366.248 4.628 0 1 FJAF CC(C)c1nn(C)c(N(C)C)c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962662981 DGSWHAFSDCRQNT-HSZRJFAPSA-N 374.532 4.512 0 1 FJAF Cc1cc(F)cc([C@]2(c3cc(F)cc(F)c3)NCCc3c(C)ccnc32)c1 963072509 SSXDHXKLFKXYGV-JOCHJYFZSA-N 368.402 4.553 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(Cl)c1N 963230301 PEHGVXUCFDQDHM-SZNDQCEHSA-N 358.913 4.851 0 1 FJAF CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1cnc(C(=O)O)cn1 1857567277 KEALUXYJBDCBGL-UHFFFAOYSA-N 353.466 4.682 0 1 FJAF COc1cc(Br)c(O)cc1CC=C(C)CCCC(C)(C)O 2356313010 QCFKZMGTHRZKCF-UHFFFAOYSA-N 357.288 4.593 0 1 FJAF COc1ccccc1-c1ccc2c(c1)COCC(=O)N2Cc1ccc(C)cc1 205220984 KPFPWQPFHPVKPK-UHFFFAOYSA-N 373.452 4.734 0 3 FJAF CCCCc1noc(-c2ccc(C(=O)NC[C@H]3CCCC3(C)C)cc2)n1 1548803 MXHSFPJPOSZOQI-QGZVFWFLSA-N 355.482 4.635 0 1 FJAF investigational O=C1O[C@](c2ccc(O)cc2)(c2ccc(O)c3ccccc23)c2ccccc21 6583789 XHDFWUKZNPYNNE-DEOSSOPVSA-N 368.388 4.713 0 1 FJAF CCCCCc1cccc(NC(=O)NCCc2c[nH]c3ccc(O)cc23)c1 14979733 OVRRQDJUGUGMAT-UHFFFAOYSA-N 365.477 4.970 0 1 FJAF CCCCNC(=O)Nc1cccc2c1CN(C)C[C@@H]2c1ccc(Cl)cc1 28217985 XYXYKARIFFFTLI-GOSISDBHSA-N 371.912 4.839 0 1 FJAF c1ccc(-c2ccc(N3CCN(Cc4c[nH]c5ncccc45)CC3)cc2)cc1 28769976 KGZWRXWYLPRJCF-UHFFFAOYSA-N 368.484 4.552 0 1 FJAF CC(C)(C)OC(=O)NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 28891138 DNPNINLQXASJSN-UHFFFAOYSA-N 363.461 4.811 0 1 FJAF CCn1c(C)c(C(C)(C)C)s/c1=N\C(=O)c1cccc(C(F)(F)F)c1 28954342 AKJOBTHOFDFQDQ-JWGURIENSA-N 370.440 4.935 0 1 FJAF O=C1Nc2c(Br)cccc2C1(c1ccccc1)c1ccccc1 29551749 PSUQSILKIPLUJZ-UHFFFAOYSA-N 364.242 4.736 0 1 FJAF CC(C)(C)n1ncc(OCc2ccc(CCCCF)cc2)c(Cl)c1=O 34435408 KXTQTSAQSJMKLA-UHFFFAOYSA-N 366.864 4.523 0 1 FJAF Cc1cc(NCC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2n1 45366432 IWAFCNWFYVNFOJ-UHFFFAOYSA-N 360.244 4.901 0 1 FJAF O=C(CCN(CCO)Cc1ccccc1)c1ccc2c(Cl)cccc2c1 45366675 MJPSYJVNCDHYBX-UHFFFAOYSA-N 367.876 4.561 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@H](C)N(C)[C@H](C)C1 53059660 GBUCMOFKIFALMI-BETUJISGSA-N 372.513 4.609 0 1 FJAF Cc1ccccc1N1CCC(C2CCN(C(=O)OC(C)(C)C)CC2)CC1 71341812 DDTGIEYQMKXYDD-UHFFFAOYSA-N 358.526 4.859 0 1 FJAF O[C@@H](COc1ccc(Cc2ccccc2)cc1)CSc1ccccc1F 84729877 GFFGDWBKHQNLHB-IBGZPJMESA-N 368.473 4.949 0 1 FJAF C=C1C(=O)O[C@H](CCCCCCCCCCCCC[C@H](C)O)[C@@H]1C(=O)O 86036582 UYUDMGMNHAKPEV-QXAKKESOSA-N 368.514 4.621 0 1 FJAF biogenic CCCC[C@H](COc1ccc(C(=O)OCC)cc1)Oc1ccc(C)nc1 90427242 FQDZBHRNDAJMJU-HXUWFJFHSA-N 357.450 4.583 0 1 FJAF CCNC(=O)Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cc2s1 95565903 WIYSJQLHHOXWOR-UHFFFAOYSA-N 366.368 4.519 0 1 FJAF CC[C@H]1C(=O)N(C2CCN([C@H]3CCc4ccccc4C3)CC2)c2ccccc21 117334556 PEUSKIKGDTWFQX-FCHUYYIVSA-N 374.528 4.549 0 1 FJAF Oc1cccc(/C=C/c2cc(Br)c(O)c(Br)c2)c1 139411553 RBEHTAIDSINAOY-SNAWJCMRSA-N 370.040 4.793 0 1 FJAF Cc1cncc(C2=CC[C@H]3[C@@H]4CC=C5N(C)C(=O)C[C@]5(C)[C@H]4CC[C@]23C)c1 144135133 YCWOFCOUQLGHES-WEBNEGJXSA-N 362.517 4.982 0 1 FJAF CO[C@@H]1C=C(Br)C(C)(C)[C@@]23CC[C@](C)(Cl)[C@@H](C2)O[C@]13C 199898704 QNMTWNMYZMLQNY-HUHANWACSA-N 363.723 4.645 0 1 FJAF FC[C@@H](Nc1ncnc2sc(Br)cc12)c1ccccc1 299865981 UZWHUYHSURJRRI-LLVKDONJSA-N 352.232 4.577 0 1 FJAF OCC12CCC(c3nc4ccc(OCc5ccccc5)cc4[nH]3)(CC1)CC2 586895426 GNIULMXYMRMSJV-UHFFFAOYSA-N 362.473 4.726 0 1 FJAF Cc1nc(Br)sc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587011209 MGVXTDWEESEVRU-UHFFFAOYSA-N 364.602 4.689 0 1 FJAF O=C(O)c1cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2cc1F 587076088 IVAGCRJOYKQZJM-UHFFFAOYSA-N 367.767 4.783 0 1 FJAF Fc1cc(Br)cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587161042 KUOPTNYBCLRCCI-UHFFFAOYSA-N 363.083 4.688 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)ccc1OC)CC2=O 587462675 QKYQJTDVGMOIAW-HXUWFJFHSA-N 360.837 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(F)(F)F)cs1)CC2=O 587463427 ADOACWORGLHVDN-GFCCVEGCSA-N 357.353 4.527 0 1 FJAF CC(=O)SC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533431 TVZPIQAVNAGZQW-JOCHJYFZSA-N 366.482 4.706 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Cl)c1 587574382 ZHJVVPZUZDUTPH-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF Cc1ccc(C)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602075 IQRQVONWOPZAFX-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF Cc1cc(C)cc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1 587659902 JCXHIOFTWVTRRV-UHFFFAOYSA-N 372.399 4.508 0 1 FJAF Cc1cc(F)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587732487 NLZZUKROKFCFSV-BMLIUANNSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2nc3cc(C)cc(Br)c3[nH]2)c(OC)c1C 587788339 YGMMTFZGQRWSEZ-UHFFFAOYSA-N 361.239 4.626 0 1 FJAF COc1cc(C)ccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587810861 YECDCLWABCAMOA-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCc3ccccc3C2)N1 587817431 KZSFOFIZRHZOAN-CWTRNNRKSA-N 360.270 4.507 0 1 FJAF COc1cc2nc([C@@H](C)Cc3ccc(OC)c(OC)c3)[nH]c2cc1Cl 587927792 XSCVHVUORCXFGZ-NSHDSACASA-N 360.841 4.588 0 1 FJAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587934116 AZXDFSRZRCLCLU-JDNHERCYSA-N 351.233 4.715 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587934324 JLDBPYCVOZDMMN-UHFFFAOYSA-N 360.244 4.846 0 1 FJAF FC(F)(F)c1nc(Cl)nc2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 587951171 KEFDIKORFKEZCN-UHFFFAOYSA-N 368.746 4.623 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1c(Cl)cccc1Cl 963051510 DPMQENZTEJQUOV-LJQANCHMSA-N 359.256 4.785 0 1 FJAF Fc1cccc2c1[C@@H](c1cccc(OCC(F)(F)F)c1)N1CCC[C@@H]1C2 963093097 BHLFVVBBLAQGOT-DNVCBOLYSA-N 365.370 4.877 0 1 FJAF CC1=C(Cc2nn[nH]n2)c2ccccc2/C1=C\c1ccc(C(F)(F)F)cc1 1857557963 LLGKRISUIIQUTK-YVLHZVERSA-N 368.362 4.789 0 1 FJAF COc1cc(CCc2ccccc2)c(C=O)c(OC(C)=O)c1CC=C(C)C 1857604453 HBQHNNSALUYHGJ-UHFFFAOYSA-N 366.457 4.727 0 1 FJAF CCCN1CC(=O)Nc2ccc(-c3ccncc3)cc2[C@H]1c1ccccc1 1911575218 KKKGHDZFIPXKBH-HSZRJFAPSA-N 357.457 4.502 0 1 FJAF CNCCN1CCC(c2ccc3[nH]c(-c4cccc(C)c4)c(C)c3c2)CC1 1911580371 GAPPUJPPSLHIKR-UHFFFAOYSA-N 361.533 4.851 0 1 FJAF CC(=O)CCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O 2356405848 GITAQGNGLWXMTE-FGTMMUONSA-N 354.487 4.519 0 1 FJAF CN(C(=O)c1cc2c(-c3ccccc3F)nn(C)c2s1)C1CCCCC1 5022513 WRKDGNHRJPSRCN-UHFFFAOYSA-N 371.481 4.846 0 1 FJAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1cccc(Cl)c1)CCC2 13743301 GDVFHFMHDFUEFD-HXUWFJFHSA-N 370.924 4.678 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34315792 QOBHVCSONWIIQM-RDWUBZNHSA-N 371.565 4.857 0 1 FJAF O=C(Cc1cccc2ccccc12)c1ccccc1C(=O)N1CCCCC1 40564986 FQFUCGMWPGSGAM-UHFFFAOYSA-N 357.453 4.891 0 1 FJAF Nc1ncc(-c2ccc(OC(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1 43079317 CPJHSQQFFZFVLU-UHFFFAOYSA-N 370.334 4.773 0 1 FJAF Cc1cccc(CNC[C@H]2CCC[C@H](CNCc3cccc(C)c3)C2)c1 45364869 QIBCTOUCKFDROF-ZEQRLZLVSA-N 350.550 4.989 0 1 FJAF CC(C)Oc1ccccc1[C@@](O)(c1ccc(Cl)cc1)c1cccnc1 72184890 QHNMLHIWINBZBY-OAQYLSRUSA-N 353.849 4.806 0 1 FJAF CC(=O)Nc1cccc(Oc2cncc(NCCC3=CCCCC3)n2)c1 82068497 RYTQJHYHRWSVHP-UHFFFAOYSA-N 352.438 4.530 0 1 FJAF Cc1nc(-c2cnc(N3CCCCC3)nc2-c2ccc(F)cc2)oc1C 82164525 WXHMWVMMEYGXQW-UHFFFAOYSA-N 352.413 4.545 0 1 FJAF O=C(O)c1cc(F)c(F)cc1Nc1ccc(OCc2ccccc2)cc1 84706787 QYRZFPBEIZIGQG-UHFFFAOYSA-N 355.340 4.986 0 1 FJAF CCOc1nnc(Cc2ccc(Cl)cc2Oc2ccccc2Cl)[nH]1 103263239 NNOJDUKCXWJFRN-UHFFFAOYSA-N 364.232 4.893 0 1 FJAF CC[C@H](CN)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 165215897 XVJFKFVZEANSIK-GFCCVEGCSA-N 364.470 4.568 0 1 FJAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@H](O)CCc1ccccc1 169322250 DJCMOAQEGWWEJG-RTWAWAEBSA-N 362.510 4.781 0 1 FJAF OCc1ccc(-c2ccc(-c3n[nH]c4c3Cc3cc(O)ccc3-4)cc2)cc1 169693394 HVLCSBMHXPEQAU-UHFFFAOYSA-N 354.409 4.513 0 1 FJAF Cc1cc(NCc2ccccc2)nc(NCc2cc(-c3ccccc3)no2)n1 203005625 CXVWCWXNYJEMPQ-UHFFFAOYSA-N 371.444 4.664 0 1 FJAF O=C(CCCN1C[C@H]2C[C@H]1N(c1ccc(Cl)cc1)C2)c1ccc(F)cc1 261190794 ZBMQPMVISGXIDJ-QVKFZJNVSA-N 372.871 4.610 0 1 FJAF OCC12CCC(c3nc4cccc(OCc5ccccc5)c4[nH]3)(CC1)CC2 586895233 AUMFOADVHXTQIA-UHFFFAOYSA-N 362.473 4.726 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cc(F)cc(F)c3[nH]2)c(C)c1 586966803 SFTLJPYWEYWJTP-UHFFFAOYSA-N 370.428 4.936 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cc(Cl)cnc3[nH]2)c(C)c1 586967136 WXXGNOFLLNHDEJ-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF Clc1ccccc1OCc1ccc(-c2nc3ncnc(Cl)c3[nH]2)cc1 587063603 QOQPDWVIBASTAN-UHFFFAOYSA-N 371.227 4.906 0 1 FJAF Clc1ccc(C2=C[C@H](c3nc4ccc5c(c4[nH]3)CCCC5)ON2)cc1 587076932 PKPMEZXKPWXZND-GOSISDBHSA-N 351.837 4.712 0 1 FJAF C[C@@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5ccccc5cc4[nH]3)cc2N1 587126111 VHQVJYZGCYGGPQ-HWPZZCPQSA-N 371.366 4.887 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Cl)cc1Cl)O2 587376820 UEFCXOMDZXOBRK-SFHVURJKSA-N 350.245 4.851 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccnc(Cl)c21 587380629 WTVPCGIUZYXCAX-OAQYLSRUSA-N 362.816 4.515 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1oc3ccccc3c1N)CC2=O 587473327 RYNDWUONBIKSJD-NRFANRHFSA-N 351.402 4.554 0 1 FJAF O=C1C[C@H](c2cnc(CC(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587499925 NZRWSEIBVVEMHW-CQSZACIVSA-N 367.392 4.833 0 1 FJAF COc1c(F)cccc1CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587503562 HQMXFLVAJHTEQK-MRXNPFEDSA-N 354.421 4.680 0 1 FJAF O=C1C[C@@H](c2ccn(Cc3ccccc3)n2)Oc2c1ccc1c2CCCC1 587516759 WFNDTIVPZMEAJY-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF Cc1cc(-n2cccn2)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517564 PRWYYKVRJRPARH-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cc1O 587787260 TYNXURJCGPVZOX-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CCc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873612 JOLSYTNFCGDCNC-GFCCVEGCSA-N 352.365 4.465 0 1 FJAF COc1ccccc1CC(=O)c1nc2cc(SC(F)(F)F)ccc2[nH]1 587929828 MKNFSMROWRQPEX-UHFFFAOYSA-N 366.364 4.609 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1c(-c3cccnc3)[nH]c3ccccc13)NCC2 962304220 ZJECVTZHAJULRB-HSZRJFAPSA-N 357.432 4.913 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2Cl)N1)C(F)(F)F 962729092 GPNJVXYUHQOJPY-LSDHHAIUSA-N 374.189 4.729 0 1 FJAF Fc1cccc(-c2nc([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)co2)c1 963101834 MEBBEZCVZMKRSK-PXNSSMCTSA-N 352.384 4.730 0 1 FJAF CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)OCCc2ccccc2)c1 1857597424 KXRLYTUEAMHMJD-ZHACJKMWSA-N 364.441 4.693 0 1 FJAF CC1=C[C@H](CN(C)C)[C@@H](C(C)C)C[C@@H]1Cc1nc2cc(Cl)cnc2[nH]1 2356288004 UCPYZDLSTNJXDN-BFYDXBDKSA-N 360.933 4.570 0 1 FJAF CC(=O)O[C@@H](C[C@@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@H]13)c1ccoc1 6481300 DZAYTXGDCMMRGZ-XSZZKUPPSA-N 372.461 4.590 0 1 FJAF in-man CCCN(CCC)CCc1cc(OC)ccc1OCCc1ccccc1 13795731 ZWTWRVYQKOMVFY-UHFFFAOYSA-N 355.522 4.981 0 1 FJAF COc1ccc(-c2coc3cc(OCC=C(C)C)ccc3c2=O)cc1O 14811720 BGBPWPNAHAYZRE-UHFFFAOYSA-N 352.386 4.519 0 1 FJAF biogenic,in-vitro O=C(c1cccc2ccccc12)N1CCC(NCCCc2ccccc2)CC1 28707255 ZKSJFBWIOYURMG-UHFFFAOYSA-N 372.512 4.667 0 1 FJAF O=C(CCC1CCCCC1)c1ccc(OC(F)F)c(O[C@H]2CCOC2)c1 40860158 PKBLAZWRJBDVSC-INIZCTEOSA-N 368.420 4.999 0 1 FJAF Cc1ccc(C)c(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 64637952 DZEAZTRWYDUMAL-IBGZPJMESA-N 366.461 4.608 0 1 FJAF CC(C)NC(=O)N(Cc1ccccc1)Cc1cccc(Br)c1 66080388 UHRNXRBWLNMFFK-UHFFFAOYSA-N 361.283 4.569 0 1 FJAF COc1ccc(CCCN2CCC(Cc3ccccc3)CC2)cc1OC 84858028 UWXCCZITYWUQSN-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF O=C(Cc1cccc(C(F)(F)F)c1)c1cc(Oc2cccnc2)ccn1 96178130 PRMFDBUTHIIVCI-UHFFFAOYSA-N 358.319 4.713 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 100773327 MRDOIVGFARRMGI-MHTWAQMVSA-N 359.473 4.779 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2cccs2)/C1=C(\O)OC(C)C 101637176 IPXBIJBWBKOEEQ-XMGGNUPJSA-N 363.479 4.726 0 1 FJAF Oc1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 103228704 YDGJPDWCABYRPM-UPVQGACJSA-N 373.496 4.514 0 1 FJAF CCC(=O)[C@@H]1[C@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253688300 AEOXYMZMDLKZPQ-CXEBNRJLSA-N 365.517 4.956 0 1 FJAF Clc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)cc1 587015664 GUGDNYVBIXTELA-UHFFFAOYSA-N 369.833 4.778 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(Br)c(F)ccc2[nH]1 587072223 OXWRLMRXDYOCSB-UHFFFAOYSA-N 367.605 4.543 0 1 FJAF Cc1c(F)cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)cc1F 587132347 BYHJTUGHYNURBV-UHFFFAOYSA-N 359.120 4.857 0 1 FJAF Cc1nc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc2cc1Br 587152362 MELYBRQDVFMOEZ-ZJUUUORDSA-N 364.193 4.578 0 1 FJAF CCCc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC 587440248 FMDVZLJJDVWVPE-VGSWGCGISA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC(C)=O)cc1)CC2=O 587477702 IIPPNHRWBZLPGG-JOCHJYFZSA-N 368.429 4.541 0 1 FJAF COC(OC)c1ccc(F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504403 JNNVPTUDSLOBRC-FQEVSTJZSA-N 370.420 4.702 0 1 FJAF COCCCc1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521722 JLGHREXMJHYRCS-QFIPXVFZSA-N 350.458 4.851 0 1 FJAF CCOC(=O)c1ccsc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587533178 UWGDTTUNMJWARW-QGZVFWFLSA-N 356.443 4.510 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1C1CCC(F)(F)CC1 587552517 AHMRQPNOLIVJBT-VQIMIIECSA-N 360.356 4.548 0 1 FJAF C[C@@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604768 YCLAENGQPCUYEE-REWPJTCUSA-N 360.409 4.745 0 1 FJAF Cc1ccc([C@H](C)C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587614541 CICWZTDTNZHSIG-CWVNLOTRSA-N 364.397 4.818 0 1 FJAF C/C=C/[C@]1(c2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587816242 VORCLYZLTGXRAQ-WQAVXOEOSA-N 360.270 4.942 0 1 FJAF COCCOc1ccc(-c2nc(-c3ccc(SC)cc3)cs2)cn1 587924478 ADCYVEPUABPRNV-UHFFFAOYSA-N 358.488 4.619 0 1 FJAF COc1ccccc1CC(=O)c1nc2cc(OCc3ccccc3)ccc2[nH]1 587928730 BRICEPSJDHHUON-UHFFFAOYSA-N 372.424 4.576 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(Cl)nccc4[nH]3)cc2)cc1OC 587929111 QQELGYBCTPGORT-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF Nc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)no1 653835456 NRPFQPPACYQGLQ-UHFFFAOYSA-N 362.311 4.587 0 1 FJAF Clc1ccc2c(c1)CC[C@@]21NC2(CC2)Cc2ccc(Br)cc21 961617332 UVFSKQKAZARRAO-LJQANCHMSA-N 374.709 4.971 0 1 FJAF Cc1cccc(N2CCC([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)CC2)n1 963110207 QSGXKUDTMRIBRZ-REWPJTCUSA-N 365.496 4.507 0 1 FJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@@H]1[C@H]2C[C@H](O)[C@@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@@H]3O 2356317371 KWFVQHWNVZGEIL-DJQPVTMJSA-N 374.565 4.527 0 1 FJAF O=C(NCc1ccccc1)c1ccc2nc(CCc3ccccc3)oc2c1 8611628 PFOLTMNAYKACCA-UHFFFAOYSA-N 356.425 4.543 0 1 FJAF Fc1ccc(CCN2CCC3(CCc4c(F)cccc4O3)CC2)c(F)c1 13472075 PCWXMSHXEKJUAY-UHFFFAOYSA-N 361.407 4.506 0 1 FJAF c1ccc(Nc2nccc(-c3c(C4CCCCC4)nn4ncccc34)n2)cc1 13582769 DDFQLGDFPMLUMW-UHFFFAOYSA-N 370.460 4.978 0 1 FJAF CN(C)CC[C@@H](OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1 13684975 BMAXKTGAPQGADW-HXUWFJFHSA-N 370.880 4.682 0 1 FJAF CCC1(CC)C=C(n2ccccc2=O)c2cc(Br)ccc2C1=O 13832176 OBSOJJYKGLDGJQ-UHFFFAOYSA-N 372.262 4.503 0 1 FJAF CCCCCCCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@H]1O 85896722 WUAZQZWJEFJAIL-ZVDOUQERSA-N 356.547 4.753 0 1 FJAF biogenic Cc1ccccc1N1CCN(CC(=O)c2ccc(-c3ccccc3)cc2)CC1 103267134 QDKOGCMAAHCAKT-UHFFFAOYSA-N 370.496 4.667 0 1 FJAF CCCCC[C@@H](O)CCC[C@@H](CCCCCCC(=O)O)SCCO 144345787 CHQQWSXEHAIOJB-QZTJIDSGSA-N 362.576 4.617 0 1 FJAF CCCc1c(Cc2cccc(Cl)c2)c(=O)[nH]c2cc(OC)cc(OC)c12 204999980 UCBDEDGXQZJIEF-UHFFFAOYSA-N 371.864 4.742 0 1 FJAF O=C1O/C(=C\c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586908252 ZZJWTBSZTAVHLV-AUWJEWJLSA-N 364.710 4.904 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)c(F)cc3[nH]2)c(C)c1Br 586979056 PKMPEQAVDMTDMO-UHFFFAOYSA-N 354.610 4.797 0 1 FJAF COc1cc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2cc1C 587006153 IVUZNUFACOHMFX-UHFFFAOYSA-N 356.223 4.562 0 1 FJAF Cc1nc(C)c(Cc2nc3cc(Cl)cc(Br)c3[nH]2)s1 587011460 HHOSZYXQLNASPE-UHFFFAOYSA-N 356.676 4.643 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2c(Br)ccnc2[nH]1 587061207 CMTDQRXHFGMSKB-LLVKDONJSA-N 366.646 4.904 0 1 FJAF Cc1cc(Br)cc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)c1 587377329 MLFAZGVQSKYRGL-GOSISDBHSA-N 360.251 4.529 0 1 FJAF Cc1ccc(-c2csc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)n2)cc1 587415105 WVWRGIPLYANZGY-GOSISDBHSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(OC)c1C)CC2=O 587480188 NVRHIYOWRVHGOM-JOCHJYFZSA-N 370.445 4.551 0 1 FJAF CCc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559786 YYBRQBNEPRHZSB-KNQAVFIVSA-N 364.372 4.797 0 1 FJAF Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587567389 HLARHNBCEUEMGH-PGRDOPGGSA-N 364.372 4.717 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)OC(C)(C)C2)N1 587833269 MSKRSUWGQUCOFZ-LLVKDONJSA-N 370.306 4.685 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)CC1CCCC1 587862226 IOTYWWOTOFAPGL-UHFFFAOYSA-N 352.356 4.798 0 1 FJAF CN(C)C(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587949266 DJTKKPFCHJMIMK-UHFFFAOYSA-N 371.440 4.648 0 1 FJAF Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c(O)cn1-c1ccccc1 957656340 FGQVPMNPWOLJFT-UHFFFAOYSA-N 351.406 4.695 0 1 FJAF O=C(c1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)[C@@H]1CCNC1 1772618615 OSFDFOIJWVRROQ-CQSZACIVSA-N 369.679 4.656 0 1 FJAF CC(C)c1ccc(/C=C/c2nc3ccccc3c(=NCCCN(C)C)[nH]2)cc1 1857550736 SGDKMFKXZZTJOU-NTCAYCPXSA-N 374.532 4.709 0 1 FJAF c1ccc(N2CCN(CCCCOc3ccc4ccccc4c3)CC2)cc1 1857764287 FACVJDSGQZOBKS-UHFFFAOYSA-N 360.501 4.821 0 1 FJAF CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@H](C(=O)CO)[C@@]1(C)CC3 2356780088 KUZAKLLYYNJTRA-IPXUTBMKSA-N 374.565 4.658 0 1 FJAF Oc1ccc(-c2cnc3cnc(-c4cccc(C(F)(F)F)c4)cn23)c(F)c1 2382234795 NSFFICDQMLVIEW-UHFFFAOYSA-N 373.309 4.927 0 1 FJAF CC(=O)c1ccccc1N[C@@H](C(=O)NC1CCCCC1)c1ccccc1F 206049675 COQVQXHUGBBKAN-OAQYLSRUSA-N 368.452 4.630 0 3 FJAF Cc1cnc(CNc2nc(-c3ccccc3Cl)nc3ccccc23)cn1 4266008 RLONSZYYDXSPDJ-UHFFFAOYSA-N 361.836 4.661 0 1 FJAF CN[C@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 43205514 FMQPLHSUIOCWGC-KBPBESRZSA-N 352.507 4.912 0 1 FJAF CC[C@H](O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 45314949 FUFRFLWNWBDQQA-AYEXWZOKSA-N 369.549 4.694 0 1 FJAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1cccc(Cl)c1 64637954 ZVLJLGDWFSHAKY-QGZVFWFLSA-N 372.852 4.645 0 1 FJAF C[C@H](C1=C(CCN(C)Cc2ccco2)Cc2ccccc21)c1cnccn1 66102995 MSDXVUCMHKOWGT-KRWDZBQOSA-N 359.473 4.705 0 1 FJAF CCN(Cc1ccccc1)C1CCC2(CC1)O[C@H](OC)Cc1ccccc12 71341190 ICNREZSCROYFDM-RZMWZJFBSA-N 365.517 4.892 0 1 FJAF COc1ccc(Cn2cc3c(c2-c2ccccc2)CCc2cnoc2-3)cc1 200026406 IHQWCULBSHFACX-UHFFFAOYSA-N 356.425 4.966 0 1 FJAF CCN(Cc1ccccc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 254051304 QUWKQLILDNQOAB-JMUQELJHSA-N 372.503 4.916 0 1 FJAF Fc1c(Br)ccc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586886362 FXLWKLZGIKDDSP-SGTLLEGYSA-N 357.226 4.836 0 1 FJAF COc1cc(/C=C\c2nc3ccc(C(C)=O)cc3[nH]2)ccc1Br 586978170 YHNXYZCEENJLCZ-YWEYNIOJSA-N 371.234 4.707 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c(C)s2)cc1 587013267 QZRQRAGBERIPRB-UHFFFAOYSA-N 361.430 4.552 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccc(Br)nc2[nH]1 587108611 FUNVKOZFXBFTEM-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)cc(F)c2[nH]1)C1CCCC1 587224176 GFRBZRXVZJCDQM-AWEZNQCLSA-N 351.397 4.597 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](CC(=O)O)C3)c1 587366705 PZBJFOXMCKNMLV-CYBMUJFWSA-N 373.408 4.846 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)c3ccccc31)O2 587402908 BBAWAAPJRLTOTE-DVECYGJZSA-N 355.437 4.974 0 1 FJAF C[C@@]1(c2cccnc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499712 UTGROIZCPWMCIY-IBGZPJMESA-N 372.262 4.604 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3cn2)N1 587779985 XCRQJANWASOVHW-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C[C@@H](C)c3ccccc32)N1 587817074 HVMDQXIMMJUARX-CLUVUEOHSA-N 360.270 4.873 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC2(C)C 587824462 WXQRKEFSQXOPCR-FKIZINRSSA-N 374.297 4.948 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3occc23)N1 587826996 HTPYGDHJMXNONW-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827942 MDFMPCLZHMTPDD-PIWKSTJMSA-N 352.291 4.774 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2Cl)N1 587848053 ZAVPZNMXKBYQCH-CPFSXVBKSA-N 360.679 4.927 0 1 FJAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850155 XOJFZPWPJCGXHW-FVMDXXJSSA-N 354.288 4.756 0 1 FJAF CCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850543 ZSSVMFJZMJBHRK-XXFAHNHDSA-N 354.288 4.836 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3sccc32)N1 587856888 JIOHAOHCJDTOLU-DYZYQPBXSA-N 366.299 4.764 0 1 FJAF COc1ccc([C@@]2(C(C)C)c3c(F)cccc3C[C@H]3CCCN32)c(F)c1 963100758 JFSHNLXQWOJODA-ZHRRBRCNSA-N 357.444 4.894 0 1 FJAF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CC(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2 1911579331 YMGYBMUUOZDPEB-QSHVTYCTSA-N 374.521 4.973 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC=C2C(C)(C)O 2356808570 YYMPKEQMANJXNH-SJBKTWHCSA-N 362.510 4.630 0 1 FJAF c1ccc2c(c1)CC[C@@H]2NCc1ccc(OCCCN2CCCCC2)cc1 13526567 YGOIFRUGFXCGRG-DEOSSOPVSA-N 364.533 4.719 0 1 FJAF N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1 14957823 VUHRELZASYVOIK-QFIPXVFZSA-N 361.489 4.973 0 1 FJAF CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1 14976995 LYPKERHLQHPCFM-SFHVURJKSA-N 354.446 4.601 0 1 FJAF COc1ccc2nc(N[C@H]3CC[C@H](NCc4ccsc4)C3)cc(C)c2c1 28950855 UZSFFJFBSMDPNT-IRXDYDNUSA-N 367.518 4.736 0 1 FJAF O=C(O)c1c(O)c(-c2c[nH]c3ccccc23)nc2c3c(ccc12)CCCC3 35087034 PSJBTSFJSKHCBO-UHFFFAOYSA-N 358.397 4.666 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ccccc3)C[C@@H]2C1 36289103 NIKYPYAIHGCRMC-WIOPSUGQSA-N 358.529 4.865 0 1 FJAF COc1ccc(CCCC(=O)N2CCS[C@@H]2c2ccc(C)c(C)c2)cc1 40767129 MBZSHUCTQIZEFW-JOCHJYFZSA-N 369.530 4.909 0 1 FJAF CCCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49088163 UKPWBJLLDLQOMR-CQSZACIVSA-N 371.308 4.893 0 1 FJAF c1ccc2c(-c3nc(CN4CCC(N5CCCC5)CC4)co3)cccc2c1 72102412 DTHFIOPWULWCGK-UHFFFAOYSA-N 361.489 4.555 0 1 FJAF CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)cc1F 72109961 LINXPBWLXPKDPX-QGZVFWFLSA-N 370.449 4.785 0 1 FJAF CCOc1ccc(-c2cnc(NC)c(C(=O)c3ccc(F)cc3)c2)cc1 96285670 QOKVPBNTLMKCET-UHFFFAOYSA-N 350.393 4.559 0 1 FJAF CCCCCn1c2ccccc2c2cc(C(=O)NN3CCCCC3)ncc21 96938362 RKDXIXHAGWSDHU-UHFFFAOYSA-N 364.493 4.510 0 1 FJAF c1ccc(N2CCN(C[C@H]3CC[C@H](c4c[nH]c5ccccc54)CC3)CC2)nc1 100788541 WYVYDCVFEZZZCK-BGYRXZFFSA-N 374.532 4.659 0 1 FJAF COc1ccc(CC2=C[C@H](Cc3ccc(OC)cc3)[C@H]3CC[C@H]2N3C)cc1 101051075 IIUCDLSWGJQFQI-WUMKDDEVSA-N 363.501 4.508 0 1 FJAF CCCC[C@@]12C[C@@]1(C(=O)Oc1ccccc1)C(=O)Nc1ccc(Cl)cc12 101407458 VIDRLXIQSOUTDO-SFTDATJTSA-N 369.848 4.716 0 1 FJAF Fc1cc2[nH]c(C[C@@H]3OCCc4ccsc43)nc2cc1C(F)(F)F 587037811 YSEVSISTSHVNAH-ZDUSSCGKSA-N 356.344 4.639 0 1 FJAF COc1cncc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c12 587049781 LJPBCZZJVVEZKE-UHFFFAOYSA-N 363.804 4.766 0 1 FJAF C[C@@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 587069051 HPBSHBKONMRMTD-QMMMGPOBSA-N 352.196 4.780 0 1 FJAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)nc(Cl)c4[nH]3)ON2)cc1 587077765 ZORWIMVSCUMUFM-LLVKDONJSA-N 367.623 4.535 0 1 FJAF O=C1c2ccc(O)cc2OC2(C[C@H]3CC[C@@H](C3)C2)[C@@H]1c1ccc(F)cc1 587350858 IKRBYVPOKRYRRB-PJSUUKDQSA-N 352.405 4.839 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(C(C)(C)C)[nH]c4ccccc14)[C@@H](C2)C3=O 587437044 CFXDLKCNMXEXJT-BTYIYWSLSA-N 361.441 4.963 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1ccc(OC)c3Cl)CC2=O 587462891 RHWVFBXARXOKOM-OAQYLSRUSA-N 372.848 4.814 0 1 FJAF CCCCSc1ncc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587491104 IGQCCRUWYLEKJL-GOSISDBHSA-N 372.490 4.733 0 1 FJAF O=C1C[C@@]2(CCCOc3cc(F)ccc32)Oc2c1ccc1c2CCCC1 587505618 JEQNPQWSTTVBBD-JOCHJYFZSA-N 352.405 4.738 0 1 FJAF O=C1C[C@H](c2cncn2Cc2ccccc2)Oc2c1ccc1c2CCCC1 587516430 SSPAOUWOFJNFMK-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF Cc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569290 PVENIOQLDPASHT-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(C)(C)C)cc2[nH]1 587788190 ZGSVRMGTSVHMJY-UHFFFAOYSA-N 350.462 4.993 0 1 FJAF CC(C)[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587835042 UAIRPFIJJKFFID-VVDPLQPHSA-N 370.306 4.615 0 1 FJAF Cc1cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc(C)c1Cl 587872907 SMEGCXOKOJKQTR-UHFFFAOYSA-N 372.783 4.784 0 1 FJAF Cn1cccc1CN1CCc2sccc2[C@]1(C)c1ccccc1S 962396908 HOCTWJGLFFDIGI-FQEVSTJZSA-N 354.544 4.697 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCCCOC 963243061 RHXSOCGYXPLDTN-FDDCHVKYSA-N 353.506 4.848 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(F)c1 1857550864 AQSMLQROCDQDAO-HRAATJIYSA-N 365.452 4.534 0 1 FJAF CN(C)c1ccccc1-c1cn2c(-c3ccc4ncccc4c3)cnc2cn1 1857609742 WDRKMUMCHQOZDJ-UHFFFAOYSA-N 365.440 4.678 0 1 FJAF CCCCN[C@@H](c1cc2ccccc2nc1O)P(=O)(OCC)OCC 1857649229 OYUNTFSOSPMQHX-GOSISDBHSA-N 366.398 4.595 0 1 FJAF COc1cc([C@@H]2C[C@@H]3O[C@H](C)[C@H](C)c4c(C)c(O)cc(c43)O2)ccc1O 2356557634 VLLDKCORIPYEDM-SLVZNGDHSA-N 356.418 4.502 0 1 FJAF CC(C)OC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 606176 OYJIERYKSJRHCQ-UHFFFAOYSA-N 351.381 4.543 0 1 FJAF CCCCC(=O)CCCCCC[C@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460268 BLTFKHOIKPIAEJ-KRWDZBQOSA-N 362.466 4.582 0 1 FJAF biogenic COc1ccc(-c2nc(N)c3c(C)c(C)n([C@H](C)c4ccccc4)c3n2)cc1 13491876 LSMFZOVDWLFPTR-MRXNPFEDSA-N 372.472 4.915 0 1 FJAF CCNc1ccc([C@@]2(C)C(=O)Nc3cc(Cl)cc(Cl)c3C2=O)cc1 28978539 MPHKWUBLVAYZKB-GOSISDBHSA-N 363.244 4.518 0 1 FJAF COc1cc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)ccc1O 33832945 YPQNDHHCUQGPFN-GQSHPZAJSA-N 358.434 4.503 0 1 FJAF c1ccc(-c2ccccc2Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40975272 GYSCTANYYJXRDQ-UHFFFAOYSA-N 371.425 4.936 0 1 FJAF CCN(CCCN1CCCCC1)c1cc(C)nc(Nc2ccc(C)cc2)n1 45227884 DWODQTVVKPNGTM-UHFFFAOYSA-N 367.541 4.539 0 1 FJAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccc(F)cc2)cc1 49047489 FTPAKCBSUUBRFU-UHFFFAOYSA-N 369.484 4.880 0 1 FJAF Clc1ccc2c(Nc3ccc(NCCN4CCCC4)nc3)ccnc2c1 84722543 XBTVWMJBFJFGLP-UHFFFAOYSA-N 367.884 4.535 0 1 FJAF CS(=O)(=O)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 95584809 GGXHJZXEWYFVKH-UHFFFAOYSA-N 366.653 4.811 0 1 FJAF Cc1csc(NC(=O)c2ccc(COc3cccc(C(C)C)c3)o2)n1 95755588 NFXZWALCWFQXNH-UHFFFAOYSA-N 356.447 4.999 0 1 FJAF Cc1ccc(-c2ccc([C@@H]3[C@H]4CN(Cc5cccc(F)c5)C[C@@H]3N4)cc2)cc1 100101853 UWGQIJHOWKACLO-QEIWAGNOSA-N 372.487 4.741 0 1 FJAF OC1=C2C(=Nc3ccnn3[C@H]2c2ccc(F)c(C(F)(F)F)c2)CCC1 100914040 TUKJAAGUHIROBA-INIZCTEOSA-N 351.303 4.713 0 1 FJAF CC(C)C[C@@H](C)c1ccccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197705 JILLWYOFJGHBEP-GFCCVEGCSA-N 353.388 4.841 0 1 FJAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 136590122 YQDIZAHKTNEAGG-OBNJBMLMSA-N 370.452 4.729 0 1 FJAF Cc1cccc2c([C@H](O)C[C@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 169333452 ICRCFOVMEGQGOD-XMSQKQJNSA-N 364.464 4.915 0 1 FJAF Cc1cc(NC(=O)Nc2cc([C@H]3C[C@H]3C)nn2CC(F)(F)F)ccc1F 299827168 OZNVAQFXGNOYPW-SKDRFNHKSA-N 370.350 4.660 0 1 FJAF COc1ccc(-c2cnn(-c3ccccc3-c3ccc(OC)cc3)n2)cc1 473114114 MEGVEVPYATUPND-UHFFFAOYSA-N 357.413 4.619 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(F)cc(Br)c3[nH]2)cc1 586894146 YEXXAJOSHKUBDN-HWPZZCPQSA-N 363.230 4.610 0 1 FJAF Clc1cc(Br)cc2nc(-c3csc4c3CCOC4)[nH]c12 587031119 BAFSLDPPGFYANW-UHFFFAOYSA-N 369.671 4.780 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3c(Cl)[nH]c4ccccc34)nc2c1 587086728 DGIRHKDCGMANKU-UHFFFAOYSA-N 360.200 4.805 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cccc(C(=O)OC)c4[nH]3)c2)c1 587233665 VSSJDTAKIBUNKP-UHFFFAOYSA-N 357.413 4.725 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)ccc1OCC)CC2=O 587479181 LOBAQRIBCMHIHC-OAQYLSRUSA-N 370.445 4.849 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)cc1OCC)CC2=O 587482330 SMJKJICWMBEQKJ-JOCHJYFZSA-N 370.445 4.633 0 1 FJAF Cc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587568007 JMCUPHXIECFMLZ-DYESRHJHSA-N 350.345 4.543 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3[nH]2)N1 587802956 ORQZWLSPLFZWDR-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF COc1cc(C)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804668 CDEHZBXQAIRBOY-BBATYDOGSA-N 364.258 4.529 0 1 FJAF Cc1ccsc1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587846628 VDDYCAGYMPTFQF-MGPLVRAMSA-N 354.288 4.756 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscc2Cl)N1 587852435 GQSDYWVXDBAUMK-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF Ic1ccc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1 587959848 IIBOBVZRQFNFPX-JSGCOSHPSA-N 374.225 4.514 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]31CCC[C@@H](c2ccccc2)C1 963040333 WHKKIXQJLARKBV-KOSHJBKYSA-N 358.485 4.942 0 1 FJAF Cc1cccc([C@]2(CCCC(=O)O)c3c(F)cccc3C[C@H]3CCCN32)c1 963095064 CDWYZJUXEUAXGK-AUSIDOKSSA-N 367.464 4.653 0 1 FJAF C[C@H](NCc1ccc(F)cc1)c1onc(-c2ccc(Cl)cc2)c1C(=O)O 2356299729 NRCNANTWMNRGDJ-NSHDSACASA-N 374.799 4.683 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](OCc1ccc(OC)c(OC)c1)O2 2356660027 BZNBZVBEJHYNGR-PEBXRYMYSA-N 370.445 4.784 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@H]3ON=C(C)[C@H]32)C1 17014013 XHKXOQIVQHCQQV-PTXFAPMGSA-N 371.521 4.882 0 3 FJAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)cc1 775957 FITZUYXMXZSWSU-AWEZNQCLSA-N 358.482 4.812 0 1 FJAF CSC1=N[C@@H]2/C(=C(/O)OCCCCCSc3ccccc32)C(C)=N1 3781655 PIRYLGGXEKYRTL-SCDSTIRESA-N 362.520 4.983 0 1 FJAF COc1ccccc1-c1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1 6732837 OZFIGKKRXMTSBJ-UHFFFAOYSA-N 373.412 4.791 0 1 FJAF O=C(NCCc1ccc(Cl)c(Cl)c1)Nc1cccc2cnccc12 26820737 DYLGBLIADBFOMY-UHFFFAOYSA-N 360.244 4.906 0 1 FJAF COc1cccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)c1 27556151 HKEOFSSEIVWHJS-UHFFFAOYSA-N 371.436 4.502 0 1 FJAF CCCCCCC(C)(C)c1cc(OC)c(C2(O)CCOCC2)c(OC)c1 40429594 WLPPOOUNJPNWKJ-UHFFFAOYSA-N 364.526 4.950 0 1 FJAF CCCNCc1ccc(-c2ccc(CNC3Cc4ccccc4C3)cc2)nc1 45334485 WRIUINNQYLPFFD-UHFFFAOYSA-N 371.528 4.505 0 1 FJAF Fc1cccc(Cl)c1[C@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 72112196 LWLDLZPALRVJPC-LSDHHAIUSA-N 363.223 4.870 0 1 FJAF CN[C@H]1CC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc32)CC1 101509246 DYNODBXGYMORGO-HDJSIYSDSA-N 352.507 4.912 0 1 FJAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3occ(O)c3c2)CC1 169727984 JQQCLHHREQYYTP-UHFFFAOYSA-N 374.481 4.978 0 1 FJAF O=C(Nc1ccccc1)Nc1nc(-c2cc3ccccc3oc2=O)cs1 261104657 HFFWXAVPENWAPE-UHFFFAOYSA-N 363.398 4.561 0 1 FJAF Brc1ccccc1OCCOc1ccc(-n2cccc2)cc1 473136621 SWUBHUFPAOMSQR-UHFFFAOYSA-N 358.235 4.698 0 1 FJAF Clc1ncc(Br)c2nc([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885438 USUAENSZNOJZJF-UASCKYALSA-N 366.690 4.842 0 1 FJAF COC(=O)c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587015474 FBZITEQMKYMMCR-UHFFFAOYSA-N 369.833 4.793 0 1 FJAF CCCOc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Br 587023711 UXOPDOCHIFHNGE-UHFFFAOYSA-N 372.675 4.891 0 1 FJAF Cc1nc2[nH]c(-c3ncsc3-c3ccccc3)nc2cc1Br 587028331 RVRRKZXROHXWRT-UHFFFAOYSA-N 371.263 4.819 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C)nc2[nH]1 587035166 PHWXFKYSIPTLSN-CQSZACIVSA-N 364.474 4.752 0 1 FJAF CC(C)Oc1cc2nc(-c3ncccc3Cl)[nH]c2cc1Br 587065389 PIKGPOQMRXHFLF-UHFFFAOYSA-N 366.646 4.828 0 1 FJAF Cc1nn(-c2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)c(C)c1Cl 587065834 YYBPEEFXASXBSP-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF CC(C)Oc1ccc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2c1 587135390 YXEKESOIXFMUHS-UHFFFAOYSA-N 356.344 4.862 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(OC(F)(F)F)c2[nH]1 587151933 WWLSYCVOFYDQLE-MRVPVSSYSA-N 358.266 4.880 0 1 FJAF CCc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587219100 LRPPYGIFFPJSDS-OAQYLSRUSA-N 355.441 4.645 0 1 FJAF COC(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587244077 WIPXYNLEBZBOEP-UHFFFAOYSA-N 371.396 4.639 0 1 FJAF O=C(/C=C\c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Nc1ccccc1 587244347 OADRHJIGPWRXFY-SREVYHEPSA-N 365.742 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)[C@@H](F)C(F)(F)F)CC2=O 587463395 YQUVIASXNHDAFT-ZIAGYGMSSA-N 370.289 4.604 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1sc(C3CC3)nc1C)CC2=O 587493893 INLVTSZMXOBEJT-FQEVSTJZSA-N 357.475 4.868 0 1 FJAF C[C@@]1(c2cccc3c2CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602054 IMYRHYQXWNKSKD-QPPBQGQZSA-N 372.420 4.758 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3c2ccn3C)N1 587759679 VAIVUZNWJLDVBW-JEOXALJRSA-N 373.269 4.704 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587820002 YALPUBSVEJDAEK-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@@H]2CC(C)(C)CCC2=O)N1 587822673 LWKPTYMBWZSDTI-ILMHXZGMSA-N 368.290 4.559 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c[nH]c3cc(Cl)ccc13)N(C)[C@H](C)C2 962636896 NSUXWBKAGMNBBQ-XUSGNXJCSA-N 370.880 4.804 0 1 FJAF C[C@@H](O)[C@@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668701 OAKWEONNVUICRX-NSYGIPOTSA-N 368.480 4.605 0 1 FJAF Cc1cccc([C@@]2(C3CCCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963019745 FJDGIZNLZXIQBJ-IQGLISFBSA-N 374.528 4.872 0 1 FJAF COc1ccc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OC(F)F 963102067 KCBGGHDYZPUZRR-IFXJQAMLSA-N 363.379 4.546 0 1 FJAF Cc1ccnc([C@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)c1 963110529 VTORGSXOPWHKJB-QPPBQGQZSA-N 358.460 4.842 0 1 FJAF N=c1[nH]ccc2ccc(-c3cn(CCC(F)F)c4cc(N)ccc34)cc12 1857585373 XKPSSMLODVNLQS-UHFFFAOYSA-N 352.388 4.506 0 1 FJAF COc1ccccc1NC(=O)c1c(N)cccc1Sc1ccc(F)cc1 1857619184 NPRSAJYHUZCSOH-UHFFFAOYSA-N 368.433 4.820 0 1 FJAF C=Cc1c(C)c(OC(C)=O)cc2c1-c1ccc(OC(C)=O)c(C)c1CC2 1570442 ABBQHBONMSOFNK-UHFFFAOYSA-N 350.414 4.563 0 1 FJAF biogenic Cc1ccc(Cc2ccc(-c3coc4cc(O)cc(O)c4c3=O)cc2)cc1 13334585 VMFRBURYJIPZMC-UHFFFAOYSA-N 358.393 4.770 0 1 FJAF biogenic CC(C)N(C[C@@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1)C(C)C 13436872 HXBMOXWVYIRYHK-NZQKXSOJSA-N 350.506 4.961 0 1 FJAF CC(C)c1cc(-c2ccccc2)c(-c2ccc(S(C)(=O)=O)cc2)c(=O)o1 13528578 QPGGNWDUCHINFV-UHFFFAOYSA-N 368.454 4.501 0 1 FJAF O[C@H](CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 13904244 ZCFXTMMXUQBWTL-JOCHJYFZSA-N 359.460 4.733 0 1 FJAF C[C@H]1CN(CCCc2ccccc2)[C@H](C)CN1CCCc1ccccc1 22938524 LKOCZDGKQPKBPV-SZPZYZBQSA-N 350.550 4.647 0 1 FJAF O=C(OC[C@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1Cl 27205412 CPHUWRHMKFXMHV-IBGZPJMESA-N 371.908 4.842 0 1 FJAF Nc1nccn2c(-c3cc[nH]c3)nc(-c3ccc(Oc4ccccc4)cc3)c12 96168200 FWCCIBZQKVQGHS-UHFFFAOYSA-N 367.412 4.766 0 1 FJAF O[C@@]1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185393 FSRGBFIJCFDRBB-HATOLVCRSA-N 351.421 4.587 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cn[nH]c3c2)n1 142586986 KTJDVQCMXYGOJF-LJQANCHMSA-N 355.445 4.818 0 1 FJAF Cc1cc(Cl)cc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587023141 LAEYHHGFBYYEGU-UHFFFAOYSA-N 364.858 4.995 0 1 FJAF Oc1nccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587071736 QLEYMDRYHCCCDK-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF C[C@@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1C(F)(F)F 587099219 ZOOROMCCHDODSZ-SNVBAGLBSA-N 359.351 4.618 0 1 FJAF CCOC(=O)[C@H]1C(C)=Cc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099317 YTBKJZIPVOAWJG-SFHVURJKSA-N 369.420 4.818 0 1 FJAF FC(F)(F)c1cccc(-c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1 587113719 SSPBYUKFRZHWKV-UHFFFAOYSA-N 366.652 4.663 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc(OC)ncc4[nH]3)c(F)c2)c(F)c1 587152572 QIIDNHOIQZQPAH-UHFFFAOYSA-N 367.355 4.587 0 1 FJAF CC(C)(C)c1ccc2nc([C@@]3(C)C=C(c4ccccc4F)NO3)[nH]c2c1 587156629 OKFLTVRHRVFVLV-OAQYLSRUSA-N 351.425 4.791 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587169181 VEKHAPOKAUDTPM-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)ccc3o1)O2 587370614 GUFDZVFGAOPDBR-KRWDZBQOSA-N 372.218 4.792 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(C(F)(F)F)c(F)c1)O2 587383038 VBHJLVJMRCSJAE-KRWDZBQOSA-N 371.305 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)O2 587408394 MHTJGFDGBWUKTN-YFNKSVMNSA-N 371.436 4.578 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(SC)cc1)(C(C)C)[C@@H](C2)C3=O 587449121 AXOKHECXJVGDGD-UWJYYQICSA-N 354.471 4.716 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Cl)c1 587558476 SLBVQAJYXYRWNR-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF Cc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615519 XUJTYZCMUCPTKG-UZLBHIALSA-N 352.411 4.639 0 1 FJAF Fc1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587781892 YPEIJEHFPPXLMO-QPJJXVBHSA-N 361.214 4.695 0 1 FJAF CCc1cccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587815999 SHIKNFVHHDKDNN-BLVKFPJESA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccc(O)cc2)N1 587834988 UVJHKCUKLBEIAH-ADLMAVQZSA-N 364.258 4.502 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)cc(F)c1 587860714 FBWUVKLIPIAUIC-UHFFFAOYSA-N 354.278 4.845 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(Br)c(F)cc3[nH]2)c1 587932931 XFXOGQNHXRYNCI-SNVBAGLBSA-N 363.230 4.819 0 1 FJAF COc1ccc(C2(c3nc4cc5cn[nH]c5cc4[nH]3)CC3(CCC3)C2)cc1 587936773 ZJMSEVYPLSWWHQ-UHFFFAOYSA-N 358.445 4.698 0 1 FJAF COc1ccc2c(c1)[C@](C)(Cc1cc(Cl)cnc1Cl)N[C@H]1CC[C@@H]21 962995966 NVKYASPRPXROJW-IEZWGBDMSA-N 363.288 4.704 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1n[nH]cc1C=O 1772649682 PPKZMMYFOCULAR-VYAQIDIUSA-N 366.505 4.539 0 1 FJAF O=C(Nc1ccc(Cl)cc1)Nc1cccc(NC(=O)c2ccccn2)c1 1857580980 MGPQVFXVBXJKID-UHFFFAOYSA-N 366.808 4.631 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@H](O)CC(=O)OC 2356829614 JAGYGWPYZGEFSW-GPQLQYNLSA-N 368.558 4.797 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@H](O)CC(=O)OC 2356829615 JAGYGWPYZGEFSW-ITTUMRLJSA-N 368.558 4.797 0 1 FJAF Oc1cnccc1CCCOc1cccnc1Oc1cccc(Cl)c1 1905888 HBUJRYNMNPGQOW-UHFFFAOYSA-N 356.809 4.640 0 1 FJAF c1ccc2c(c1)CC[C@H]2NCc1ccc(OCCCN2CCCCC2)cc1 13526563 YGOIFRUGFXCGRG-XMMPIXPASA-N 364.533 4.719 0 1 FJAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncn1 26403577 OPZZGUYTLJJHBP-WAADRIEOSA-N 352.522 4.884 0 1 FJAF COc1ccc(-c2nc(C(C)(C)CO)sc2-c2ccc(OC)cc2)cc1 29314504 PCGHOARJMZXGSP-UHFFFAOYSA-N 369.486 4.764 0 1 FJAF CCN(CCCN1CCCCC1)c1nccc(Nc2ccc(Cl)cc2)n1 45322065 BZXHTQTZQKLCJK-UHFFFAOYSA-N 373.932 4.576 0 1 FJAF C1=C/Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)COC/1 68106598 GHBIFDBGDNHWRO-OWOJBTEDSA-N 368.440 4.928 0 1 FJAF COc1ccc(SC[C@H](O)Cn2c3c(c4ccccc42)CCCC3)cc1 84705064 KJAFJYBODAUFPQ-MRXNPFEDSA-N 367.514 4.682 0 1 FJAF Cc1cccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)c1 95596836 DCAGQIJTUIODHP-UHFFFAOYSA-N 366.490 4.584 0 1 FJAF OC1=C2C(=Nc3ccnn3[C@@H]2c2ccc(F)c(C(F)(F)F)c2)CCC1 100914037 TUKJAAGUHIROBA-MRXNPFEDSA-N 351.303 4.713 0 1 FJAF COc1nc2nccnc2c(NCC(C)C)c1-c1c(F)cccc1Cl 103166721 XUUKCPOQYGOTML-UHFFFAOYSA-N 360.820 4.561 0 1 FJAF O/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(Br)cc12 117374814 QJJGEKIKVXTVJR-RCCKNPSSSA-N 367.202 4.700 0 1 FJAF Clc1ccc2c(c1)C[C@@H]1C[C@@H](c3ccc(Br)s3)N2O1 169675159 FLEOXDHPTJVXOT-PWSUYJOCSA-N 356.672 4.972 0 1 FJAF CC(=O)O[C@H]1CC(C)=C(CCC2=CC(=O)OC2)[C@]2(C)CCCC(C)(C)[C@@H]12 238785528 OPWCWNCERZLVTP-DWLFOUALSA-N 360.494 4.734 0 1 FJAF COc1ccc(-c2cc3c4c(Cl)cccc4n(C(C)=O)c3nn2)cc1 299828752 WEGKPRPDNHKZNN-UHFFFAOYSA-N 351.793 4.574 0 1 FJAF Cc1nc(COc2cccc(-c3nc4cncc(Cl)c4[nH]3)c2)cs1 587020478 TWRHTDYKQNGRJA-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2cncc(C)c2[nH]1 587034268 GSNCTKPBUBOYRX-CQSZACIVSA-N 364.474 4.752 0 1 FJAF Fc1cc(Br)c2[nH]c([C@@H]3SCCc4sccc43)nc2c1 587036472 CFBLGZNHQIUNPT-CYBMUJFWSA-N 369.284 4.905 0 1 FJAF CCc1cc(OCc2nc3c(Br)ccnc3[nH]2)ccc1Cl 587052684 HZWSEEKLILHZKB-UHFFFAOYSA-N 366.646 4.515 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(/C(=C/N(C)C)c1ccc(Cl)cc1)O2 587375997 BKUUTLGEVMMYAJ-GUOCTKQSSA-N 370.880 4.557 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C3(C(F)(F)F)CC3)cc1)O2 587383069 VCUILUYDUZUSLT-QGZVFWFLSA-N 361.363 4.878 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4cccc(F)c4C)o1)[C@@H](C2)C3=O 587423950 LXYKSESCAJDLKS-OYHNWAKOSA-N 364.372 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(F)c2CC[C@@H]1C 587471979 NTSZIDRIBNMTFV-WHEQGISXSA-N 354.421 4.927 0 1 FJAF C[C@@H]1CCC[C@H](N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 587513712 LBRUTVFRSIFQBL-MJGOQNOKSA-N 367.533 4.944 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1F 587556230 WKBNVXVEDUCCTG-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2F)N1 587716721 JTAATTWHRPXKPP-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2)N1 587733848 MBHFZYTZVSLOBI-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccccc1Cl 587868596 PBYCFRVZVGUQEI-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF Cc1cc2cc(NC(=O)c3cc(-c4ccc(C)s4)cnc3N)ccc2[nH]1 618010009 NQRIMPXARRBPOR-UHFFFAOYSA-N 362.458 4.743 0 1 FJAF CC(C)N(Cc1cc(F)cc(F)c1)C(=O)c1ccc2ccccc2c1O 653719966 ZMYAIEJWICONOQ-UHFFFAOYSA-N 355.384 4.874 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cnc2ccccc2c1 962715009 UVBRMFFDRRNCPF-VGSWGCGISA-N 364.489 4.827 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 962962902 YSLWGNBRBTYJEU-VBKZILBWSA-N 365.477 4.766 0 1 FJAF CCOC(=O)CCC[C@]1(C2CCCC2)N[C@H]2CC[C@H]2c2ccc(OC)cc21 962992440 GKBBEBVVIITJEI-IEIRFRATSA-N 371.521 4.663 0 1 FJAF CCOP(=O)(CC[C@@H]1NCCc2c(Cl)cc(Cl)cc21)OCC 963111788 SGSKYLBRNNPWAU-HNNXBMFYSA-N 366.225 4.836 0 1 FJAF N[C@H](c1ccccc1)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 1911576569 NJGDCFHXTIVBSQ-LJQANCHMSA-N 359.454 4.597 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 2356534646 GPTWTKZDAAYJRN-RNODOKPDSA-N 370.445 4.991 0 1 FJAF Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccncc2)c1 4659871 PSXGWZAWDMPDHL-UHFFFAOYSA-N 365.820 4.548 0 3 FJAF COc1ccc(NC(=O)N(CCC(C)C)[C@@H](C)c2ccccn2)c(OC)c1 37868800 GCEOXMRDLSVMCS-INIZCTEOSA-N 371.481 4.740 0 3 FJAF CC1(C)OC(=O)C2=C(C[C@H](CCc3ccccc3)O[C@@H]2c2ccccc2)O1 61920930 WBXIKGVHDUBYET-GHTZIAJQSA-N 364.441 4.713 0 3 FJAF CC[C@H](c1nc2ccccc2[nH]1)n1c(-c2cccnc2)nc2ccccc21 95566446 MDJRFMHUZAAWLQ-LJQANCHMSA-N 353.429 4.974 0 3 FJAF C=C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C21 13651593 MQSPPOHAJUFGCG-IAUWXRHWSA-N 364.485 4.835 0 1 FJAF CC(C)(CC(=O)O)Cc1nc2ccccc2n1Cc1ccc(Cl)cc1 13826767 CMHWPXSZUPSRNR-UHFFFAOYSA-N 356.853 4.781 0 1 FJAF COC(=O)c1c[nH]c(=S)n1[C@H](c1ccc(Cl)c(Cl)c1)C1CC1 28334065 KUAWJKQNNIHRML-ZDUSSCGKSA-N 357.262 4.638 0 1 FJAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@H]3CC[C@]12C 31829859 DTHAAQPVIGTNAJ-RRNXONKQSA-N 371.477 4.674 0 1 FJAF CCc1c(C)sc(NC(=O)c2ccc(C(F)(F)F)cc2)c1C(=O)OC 95601012 SJPUYGRRRYTGNN-UHFFFAOYSA-N 371.380 4.677 0 1 FJAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccccc1 96938277 QEOBCNBMVHTMBU-UHFFFAOYSA-N 361.426 4.669 0 1 FJAF COc1ccc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)cc1N 299864114 LYXOEWUFQYXGKS-UHFFFAOYSA-N 359.385 4.787 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(Cl)ccnc2[nH]1 587044677 NMGBENBOGNHCOG-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF CCc1nccnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096118 DMNWMSHEDVFKKC-UHFFFAOYSA-N 351.409 4.774 0 1 FJAF Cc1[nH]c(=N)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102793 YJCRRGAOJOKPKM-UHFFFAOYSA-N 357.438 4.599 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(CSc1ccc(Cl)cc1)[C@@H](C2)C3=O 587448922 NEJOAUKEIAFMPW-KXBFYZLASA-N 360.862 4.647 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1ccc(OC)c3Cl)CC2=O 587462889 RHWVFBXARXOKOM-NRFANRHFSA-N 372.848 4.814 0 1 FJAF CCc1cccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587717072 FKYJKJBMVMCDSK-MGNBDDOMSA-N 366.249 4.913 0 1 FJAF COc1ccc(-c2nc3cc(Br)cc(C)c3[nH]2)c(OC)c1C 587786867 HNXAMBYDMZBSST-UHFFFAOYSA-N 361.239 4.626 0 1 FJAF COc1ccc(OC(C)(C)C)n1-c1cc(F)c(Br)cc1F 587943650 MFNAQJKBWPUYEY-UHFFFAOYSA-N 360.198 4.704 0 1 FJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4cc(C(F)(F)F)c(Cl)cc4[nH]1)(C3)C2 587969958 WFBLFZBBBZRJTH-JIIRDLKHSA-N 368.786 4.882 0 1 FJAF ClC1=CC=CC=C[C@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962648765 YHTJQBZOTPYJKE-QPPBQGQZSA-N 374.915 4.878 0 1 FJAF Oc1ccnc(-c2cccc([C@H]3NCCc4c(Cl)cc(Cl)cc43)c2)c1 963114909 YANAVYPZEMAWQS-HXUWFJFHSA-N 371.267 4.996 0 1 FJAF CC(C)=CCCC(C)=CCCC(C)=CC(=O)NC(=N)NC(=O)C=C(C)C 2356796425 NFILAEFIWXBRPE-UHFFFAOYSA-N 359.514 4.539 0 1 FJAF CN1[C@H]2CC[C@H]1[C@H](C(=O)Oc1ccccc1)[C@H](c1ccc(Cl)cc1)C2 253634054 AAEKULYONKUBOZ-FRYIKTPZSA-N 355.865 4.512 0 3 FJAF Clc1ccc(N2CCN(c3nc4ccsc4n4cccc34)CC2)cc1 13755926 YUTYMOJIEPDZRD-UHFFFAOYSA-N 368.893 4.529 0 1 FJAF COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 28090188 DOBLJOQYRCFSEU-NTEUORMPSA-N 373.408 4.712 0 1 FJAF COc1ccc(Oc2ccc(C(=O)NCCc3ccccc3)cc2)cc1F 28957222 BUFQYLBDQLKUNH-UHFFFAOYSA-N 365.404 4.599 0 1 FJAF CCC(=O)C(CCCCCCCOc1ccc2c(c1)OCO2)C(=O)CC 32138795 GLUPDSNEUYTBFM-UHFFFAOYSA-N 362.466 4.709 0 1 FJAF Clc1ccc(Nc2noc(-c3ccc4c(c3)OCO4)n2)cc1Cl 66123644 LBHMEWRYOZNMST-UHFFFAOYSA-N 350.161 4.516 0 1 FJAF Cc1cccc(C(CC[C@@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1 84632745 JXIGVUPYYZGRRZ-JOCHJYFZSA-N 359.469 4.522 0 1 FJAF in-vitro C[C@H]1CCCN1[C@H]1CC[C@H](c2ccc(NC(=O)Cc3ccccc3)cc2)C1 146972747 FPVDEULAJJBWHI-HARLFGEKSA-N 362.517 4.988 0 1 FJAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)C3CCOCC3)ncc2c1 169699935 MCTGLXDIXYUNJD-UHFFFAOYSA-N 364.420 4.714 0 1 FJAF C[C@@H]1Cc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc2C(=O)N1 222370423 SJQWLZPINZQQNC-CQSZACIVSA-N 368.440 4.648 0 1 FJAF Cc1ccc(CSCCc2nc3cc(Br)cnc3[nH]2)cc1 586971550 ZBVSMDPBLFMVFS-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=C[C@H](C(F)(F)F)C3 586985933 HOLJNUXJFGRISA-JTQLQIEISA-N 367.326 4.900 0 1 FJAF Cc1cc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c2cc1Cl 587041019 SWJWXFPEMIYCEB-ZDUSSCGKSA-N 353.875 4.507 0 1 FJAF Clc1cc(-c2nc3cc(Br)cnc3[nH]2)c2ccccc2n1 587085590 VSVGBFQJWHKBLW-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4nc(O)[nH]c4c3)nc3cccc1c23 587105520 CGAUPKNHPNNNQN-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF CC(C)Oc1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c1 587232662 YLJYAGPIFRGISI-UHFFFAOYSA-N 361.445 4.900 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(C)c(Br)c(C)c1)O2 587378605 WCOBHVFJUJIPBK-MRXNPFEDSA-N 360.251 4.663 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(OC)cc3s1)CC2=O 587494117 IHLDQXSLLDTAHE-KRWDZBQOSA-N 369.442 4.670 0 1 FJAF C[C@]1(c2ccc3nc(O)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587538332 PEMVIXRYVLBCMS-OAQYLSRUSA-N 365.454 4.761 0 1 FJAF O=C1C[C@@H](c2c(C3CC3)nc3sccn23)Oc2c1ccc1c2CCCC1 587539980 ZCONKFRCIIQKRG-KRWDZBQOSA-N 364.470 4.859 0 1 FJAF Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587604623 XLYZQKUSPAPFRS-OFNKIYASSA-N 360.409 4.886 0 1 FJAF Cc1cccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)c1C 587661340 XPEIRCGJIYOFRY-UHFFFAOYSA-N 372.399 4.508 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587720924 UFGAJYMTTPISBP-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1O 587819814 BNLCRWYWBPPHEC-ZMZPIMSZSA-N 364.258 4.534 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2=Cc3ccccc3OC2)N1 587834630 LUTHHFKKJCENCV-JEOXALJRSA-N 374.253 4.640 0 1 FJAF COc1ccc([C@H](O)[C@H](C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587938673 YNWJIAUXECHABT-XXFAHNHDSA-N 368.330 4.567 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1c(C)cc(Br)cc1F)NCC2 962372074 GTBUFBUCXFQHAX-KRWDZBQOSA-N 352.222 4.579 0 1 FJAF Clc1ccc2[nH]c(-c3cccc(N4CCc5ccccc5C4)n3)nc2c1 1857586861 NPCWVGZQSDZVHW-UHFFFAOYSA-N 360.848 4.841 0 1 FJAF COc1ccc(-c2c([C@@H](OC(C)(C)C)C(=O)O)n(C)c3ccccc23)cc1 1857587868 HPWVNUQOYPAJLS-HXUWFJFHSA-N 367.445 4.795 0 1 FJAF CCn1c2ccccc2c2cc(NC(=O)N3CCC(C(C)=O)CC3)ccc21 1857767140 DZRSNKIGPLOVQE-UHFFFAOYSA-N 363.461 4.647 0 1 FJAF Cc1ccc(-c2nc3/c(=N/c4ccc(F)c(Cl)c4)[nH]ccc3[nH]2)cc1 74386752 JGVHAINSODUSSI-UHFFFAOYSA-N 352.800 4.891 0 3 FJAF CCCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2ncccc12 28222329 NRNJWZLAKSNZKA-INIZCTEOSA-N 359.514 4.742 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(CC1CCCCC1)c1ccsc1)C2 28825442 FHNLUXLINNMPIP-JJTKIYQPSA-N 362.539 4.897 0 1 FJAF O=C1CS[C@H](c2c(F)cccc2Cl)N1c1ccc2ccccc2n1 40421439 YCCHQUOMZVHIOW-GOSISDBHSA-N 358.825 4.806 0 1 FJAF CC[C@H](C)N1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40894508 VHDVPRLQWJBQLJ-HNNXBMFYSA-N 357.523 4.747 0 1 FJAF Fc1cc2nc([C@@H]3COc4ccccc4C3)sc2cc1-c1cn[nH]c1 49033358 SIQXAAIXYNABPH-LBPRGKRZSA-N 351.406 4.544 0 1 FJAF CC(=O)N1N=C(c2ccc(C)c(C)c2)C[C@@H]1c1ccc(Br)cc1 53243491 SKPDUMIEGIXXAE-LJQANCHMSA-N 371.278 4.764 0 1 FJAF Cc1ccc(-c2c(CN)c(CC(C)(C)C)nc(C(C)C)c2C(=O)O)cc1 66098531 XJNIFHUSLCLCDZ-UHFFFAOYSA-N 354.494 4.926 0 1 FJAF O=C1C(c2ccccc2)=C(c2ccccc2)C(=O)N1CCCc1ccccc1 71317971 LLADRHRUIVZLGC-UHFFFAOYSA-N 367.448 4.599 0 1 FJAF Cc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@@H]2c2ccccc2O3)cc1 102737184 WECSMEKBFPEVLX-CZVBXDARSA-N 361.441 4.575 0 1 FJAF O=C(CSc1ccc(C(=O)Nc2ccc(F)cc2)cn1)c1ccsc1 261173509 UGWXDLFCSPHNPS-UHFFFAOYSA-N 372.446 4.510 0 1 FJAF Clc1c(-c2nc3ccc4c(c3[nH]2)CCCC4)ccnc1Br 587007788 RQOSWBLCJMXUPR-UHFFFAOYSA-N 362.658 4.920 0 1 FJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccc(F)cc4[nH]3)c2C1 587032143 PSTZEQGNLGZGEQ-UHFFFAOYSA-N 373.453 4.724 0 1 FJAF COc1ccc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2n1 587049116 HGQHQGHCMPTDPU-UHFFFAOYSA-N 363.804 4.766 0 1 FJAF Fc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c(F)c1F 587073536 JRGBDKUOHAOLKR-AWEZNQCLSA-N 365.786 4.971 0 1 FJAF COC(=O)[C@@H](c1nc2cccc3c2c(c1C)-c1ccccc1C3=O)C(C)C 587106301 KXXDMCKQOPTEGJ-GOSISDBHSA-N 359.425 4.667 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cncc(Cl)c3[nH]2)c1 587159757 XAVHAFYGRNTIJY-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2cc3cn[nH]c3cc2[nH]1 587241244 YHOJKCHZRMTGOG-UHFFFAOYSA-N 355.401 4.858 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(OCCc3ccccc3)c1)O2 587399736 LQLYLMZLDINBKJ-HSZRJFAPSA-N 373.452 4.905 0 1 FJAF COc1cccc([C@@H]2CCCC[C@]23CC(=O)c2cc(C)cc(N)c2O3)c1 587403422 LZOXVZJIBSUIJG-AVRDEDQJSA-N 351.446 4.648 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccnc1Sc1ccccc1)O2 587408342 AZPKQQBDEWGNOZ-LJQANCHMSA-N 362.454 4.830 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1OCc1ccccc1)[C@@H](C2)C3=O 587441389 FEVNUMFFBOZHBM-YADARESESA-N 372.420 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)oc3ccc(O)cc13)CC2=O 587478307 GXQJLHREUQJTCP-QFIPXVFZSA-N 366.413 4.986 0 1 FJAF O=C1C[C@@H](c2c[nH]c3nccc(Cl)c23)Oc2c1ccc1c2CCCC1 587502266 UQIIJHIBKCVYFU-KRWDZBQOSA-N 352.821 4.802 0 1 FJAF O=C1C[C@@H](c2ccc(N3CCCCC3)o2)Oc2c1ccc1c2CCCC1 587512452 DLRXXMZYAYKZIN-FQEVSTJZSA-N 351.446 4.855 0 1 FJAF Cc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c12 587591966 XOZHNRVEASSYDX-CVDCTZTESA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1CCCc2ccccc21 587604122 RETWMFCULIXDMM-CODAWKSHSA-N 372.420 4.843 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3cnn(CC)c3C)c(N3CCOCC3)c2c1 587643712 WRRXGUNFKSRCQU-OAHLLOKOSA-N 366.509 4.710 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587719130 PARARTJMOANNDJ-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF CCNc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756532 RAECBBKJPLQKFC-ADLMAVQZSA-N 363.274 4.644 0 1 FJAF Clc1c[nH]c2nc(/C=C/c3ccc(OCc4ccccc4)cc3)nc-2n1 587783881 IENWNFNDWBMLGC-DHZHZOJOSA-N 362.820 4.707 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)c(C)c3[nH]1)CC2 587934269 HXZBUCDKFPGPSS-CYBMUJFWSA-N 371.278 4.915 0 1 FJAF O=C1CS[C@@H](c2ccccc2C(F)(F)F)c2cc(Cl)cnc2N1 653803275 JVZDVURLUCKGQB-ZDUSSCGKSA-N 358.772 4.529 0 1 FJAF CC1(C)CN[C@@](c2ccc(Cl)c(F)c2)(C2CC2)c2c1ccc1c2OCO1 963390206 GVQBLSKKLYAGJK-OAQYLSRUSA-N 373.855 4.742 0 1 FJAF COc1ccc([C@H]2COc3cc(OCCCCC(C)(C)O)ccc3C2)cc1 1857644800 OHZZLQYPPFMXKB-LJQANCHMSA-N 370.489 4.734 0 1 FJAF Cc1cc(C)cc(-n2cnc3cc(C(=O)N[C@@H]4CCCC[C@@H]4C)ccc32)c1 3025795 HDKIIYBKLFFERU-FXAWDEMLSA-N 361.489 4.951 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(Br)cc3C[C@H]1[C@H]2C 13742461 YTONQGWHDGBSSY-FMEYXAORSA-N 364.327 4.645 0 1 FJAF Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([S@@](C)=O)cc2)cc1 28710926 BIIFONWAUMRJCE-VWLOTQADSA-N 364.392 4.604 0 1 FJAF COC(=O)[C@@H](C)Oc1ccc(N(C)c2ccc3cc(Cl)ccc3n2)cc1 29310031 YFHXHKPXXUSFRU-CYBMUJFWSA-N 370.836 4.596 0 1 FJAF CCOC(=O)c1c(CCCCCCO[C@@H]2CCCCO2)cccc1OC 71282165 RKWQBRPKSHYGGR-IBGZPJMESA-N 364.482 4.518 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)o1 82175751 YZKDZXFGWPOSBW-ZIAGYGMSSA-N 366.440 4.728 0 1 FJAF O=C(c1nc(-c2ccccc2Cl)c2ccccc2n1)N1CCCCCC1 84689940 FPHLERSEOUPBDL-UHFFFAOYSA-N 365.864 4.966 0 1 FJAF CC1=Nc2ncnn2[C@@H](c2cccc(Cl)c2)/C1=C(\O)OC1CCCCC1 104059413 IKDARAMOBHBUQC-HVESIFNPSA-N 372.856 4.746 0 1 FJAF Cc1cc2nc(C[C@@H]3CCCNC3)n(Cc3ccc(Cl)cc3)c2cc1C 205191059 LLYGWWMPKYKZGL-SFHVURJKSA-N 367.924 4.897 0 1 FJAF CCCCCO[C@H]1CC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 254153205 VIWCJPKZDQYQRJ-GGWQJBMBSA-N 362.558 4.772 0 1 FJAF CC(=O)N1C[C@]2(CCCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21 299851731 JCXGJXDRSXUUPP-JOCHJYFZSA-N 368.908 4.531 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587028361 UDTONEGIVYIJIL-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF Cc1nccc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc12 587121779 GPXMIXNPEGZKFW-UHFFFAOYSA-N 353.369 4.598 0 1 FJAF FC(F)(F)Oc1ccc2c(-c3nc4c5c(ccc4[nH]3)CCCC5)n[nH]c2c1 587127348 QTTKPPLHRRHUFY-UHFFFAOYSA-N 372.350 4.884 0 1 FJAF COc1cc2nc(-c3c(F)c(F)c(S)c(F)c3F)[nH]c2cc1Cl 587133729 ARPKLUJYGRTVPV-UHFFFAOYSA-N 362.735 4.737 0 1 FJAF Cc1cc(C)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587219735 QEYJCRRAXSANDF-OAQYLSRUSA-N 355.441 4.699 0 1 FJAF Nc1ccc2oc(-c3nc4ccc(C(=O)c5ccccc5)cc4[nH]3)cc2c1 587252982 WLVPSSYTFSBQKW-UHFFFAOYSA-N 353.381 4.789 0 1 FJAF N[C@@H](Cc1nc2ccc(C(F)(F)F)cc2[nH]1)c1cccc2ccccc12 587258411 ATERGAUITLUBCI-INIZCTEOSA-N 355.363 4.977 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C(C)C)O2 587372574 PTVMUIYTEXDMED-LJQANCHMSA-N 374.278 4.856 0 1 FJAF Cc1cccc([C@]2(c3cccc(F)c3)CC(=O)c3cc(C)cc(N)c3O2)c1 587384004 ITXRCQDPLZTLBK-QHCPKHFHSA-N 361.416 4.934 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(Cc1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587419492 DPQVLTSJPAYVQL-DJJJIMSYSA-N 363.240 4.751 0 1 FJAF COc1ccc(-c2ccccc2[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440861 CYVBKEQUSTUXEG-YKSBVNFPSA-N 372.420 4.860 0 1 FJAF Cc1noc(-c2ccccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587524000 ISCPZVGNCUTXDK-HXUWFJFHSA-N 360.413 4.630 0 1 FJAF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2cccc(F)c12 587633861 MBJSLVBRXIBRFL-UHFFFAOYSA-N 351.299 4.703 0 1 FJAF COc1cccc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587805263 FCLGQICMKYFSAD-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)s2)N1 587847928 MUKUSYWMBPGSKY-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF CSc1ccc(-c2csc(CCN(C)C(=O)OC(C)(C)C)n2)cc1 587925304 RIFOJNXAQDLXHP-UHFFFAOYSA-N 364.536 4.941 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587935930 WHRGAELDROWOID-UHFFFAOYSA-N 360.244 4.846 0 1 FJAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1O 2356422176 IJXJZTJHUIMUND-WISGCMSASA-N 358.570 4.569 0 1 FJAF COC(=O)CC[C@@]12C3=CCC[C@H]3CC[C@H]3CN[C@H]1[C@@H](C(C)C)CC[C@]32C 2356486547 WDKKUOYIQZUWGE-VFEGKJSPSA-N 359.554 4.717 0 1 FJAF Cc1ccc(CN(C[C@H](O)CNc2ccc3[nH]ccc3c2)C(C)(C)C)cc1 2382256365 QLWIJBSGYVMEGR-OAQYLSRUSA-N 365.521 4.550 0 1 FJAF COc1ccc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc1C 6522026 QLGTWJKXHLSDJJ-UHFFFAOYSA-N 354.427 4.622 0 1 FJAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1cccc(Cl)c1)CCC2 13743302 GDVFHFMHDFUEFD-FQEVSTJZSA-N 370.924 4.678 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(-n3cncn3)cc21 28571472 ZSNSOTIXFBSXLU-LIRRHRJNSA-N 373.287 4.760 0 1 FJAF C[C@H]1[C@@H]2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 29556304 VTQNVBWUUURPPT-XPEQFSOGSA-N 374.528 4.873 0 1 FJAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ncccc3Cl)CC2)cc1 40943141 YNLRTUISAONTAY-UHFFFAOYSA-N 369.896 4.808 0 1 FJAF Cc1cccc(-c2nc(Nc3ccc4c(cnn4C)c3)c3ccccc3n2)n1 43018479 SBPSWNGBIYLPSD-UHFFFAOYSA-N 366.428 4.631 0 1 FJAF Cc1cc(-c2ccccc2)n2nc(-n3nc(C)cc3-c3ccccc3)cc2n1 72176438 OOQLEKIWIWEKJA-UHFFFAOYSA-N 365.440 4.866 0 1 FJAF COc1ccc(-c2ccsc2-c2cc(OC)c(OC)c(OC)c2)cc1O 137786340 WJTNCSCARJATOW-UHFFFAOYSA-N 372.442 4.822 0 1 FJAF CCOC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC[C@@H]2N=O 169724427 ABULRKFCYNZEDB-HNNXBMFYSA-N 367.430 4.970 0 1 FJAF COc1ccccc1[C@H](c1ccc(OCCN(C)C)cc1)c1cccs1 206287268 KKRZOWNOXDKMQW-QFIPXVFZSA-N 367.514 4.877 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3ccccc3C(=O)c3ccc(F)cc3)nc12 587162838 KBEJKBKWUNWZDA-UHFFFAOYSA-N 365.795 4.957 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587170315 OEIFCXQPECQMGL-CQSZACIVSA-N 373.497 4.538 0 1 FJAF Fc1ncc(Br)cc1-c1nc2cc(Cl)cc(Cl)c2[nH]1 587177981 KFTMGIXZBNVHIY-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(C)(C)C 587205761 TZIVOWZCLGIKJM-KRWDZBQOSA-N 371.525 4.924 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2Sc2ccccc21 587415316 RASMZOYLHXMRJQ-UHFFFAOYSA-N 359.450 4.951 0 1 FJAF COc1cc2c3c(c1)OC1(CC(c4ccc(C(F)(F)F)cc4)C1)[C@@H](C2)C3=O 587419644 DENKTDARIATOOR-FOCKTWCOSA-N 374.358 4.778 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3cc(Cl)ccc3n1C)CC2=O 587462686 QALHHLFSMGVHEF-SFHVURJKSA-N 370.836 4.591 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587609980 AZEPUIRLBSMNLY-FXAWDEMLSA-N 352.411 4.773 0 1 FJAF C[C@@H](CC1CCOCC1)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587836070 RJDRHHLSZJIADF-VNBZBWLYSA-N 370.306 4.616 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3ncc(C(F)(F)F)cc3Cl)n1)O2 587874189 RQFOQYUTDJWHPS-UHFFFAOYSA-N 355.678 4.851 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@H]1c2cc(OC)ccc2CCN1C(C)C 962086804 CYOARJRPXXZNHX-LJQANCHMSA-N 361.917 4.619 0 1 FJAF C[C@H](O)[C@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668704 OAKWEONNVUICRX-SSOJOUAXSA-N 368.480 4.605 0 1 FJAF Cc1ccc([C@]2(C3CCCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963018603 DJWWHABCQDIRAZ-BVZFJXPGSA-N 374.528 4.872 0 1 FJAF COc1ccc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1SC 963103637 GCFNBKQDEJPNDQ-QGZVFWFLSA-N 354.302 4.959 0 1 FJAF Fc1cccc2c1[C@](COC(F)(F)F)(c1ccccc1)N1CCC[C@@H]1C2 963104049 GTTZCWAJBNWJDQ-APWZRJJASA-N 365.370 4.626 0 1 FJAF Cc1cccc(N2CCC([C@@H]3c4ccc(F)cc4C[C@H]4CCCN43)CC2)n1 963110178 QSGXKUDTMRIBRZ-NFBKMPQASA-N 365.496 4.507 0 1 FJAF C[C@@H](COc1ccccc1)N(C)c1nc(-c2cccnc2)nc2ccccc12 1857588370 NROINOAHJYRENU-KRWDZBQOSA-N 370.456 4.596 0 1 FJAF Fc1cccc(N2CCC([C@H]3c4c(F)cccc4-c4cncn43)CC2)c1 1857604007 IHRZDOLIIBFDBL-NRFANRHFSA-N 351.400 4.648 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@@H]1Cc1ccc(O)cc1 1857644171 LRLMHQQHQJFWNM-IBGZPJMESA-N 350.458 4.949 0 1 FJAF O=C1CCC=CC[C@H](c2ccc(-c3ccccc3)cc2)C(=O)OCCCO1 2382237987 OXUFLOSMIWZANA-OAQYLSRUSA-N 364.441 4.654 0 1 FJAF COc1cccc(-c2nc3nc(C)cc(C)n3c2NCc2ccccc2)c1 35170971 WNTCHQFWTXTOOY-UHFFFAOYSA-N 358.445 4.634 0 3 FJAF COc1ccc(-c2ccc(C(=O)NCc3ccco3)c3occc23)c(C)c1 61904699 DELUPPLMWSOCTE-UHFFFAOYSA-N 361.397 4.940 0 3 FJAF COc1cccc(-c2cccc3c2NC(=O)[C@@]3(C)Cc2ccccc2F)c1 61930451 YMOFBTFZMCUMSE-QHCPKHFHSA-N 361.416 4.954 0 3 FJAF O=C(NCc1ccccc1)c1c(-c2ccccc2F)noc1-c1ccoc1 775370 FJPCKNKULHCNEE-UHFFFAOYSA-N 362.360 4.671 0 1 FJAF CC(C)n1c(=O)c2c(-c3ccc(F)cc3)ncn2c2ccc(Cl)cc21 13758865 KHUNZZHUDJTJRU-UHFFFAOYSA-N 355.800 4.690 0 1 FJAF CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)c2cc(OC)c(OC)cc21 27550767 NXXKPCNTNLASCC-BDJLRTHQSA-N 352.261 4.807 0 1 FJAF COc1cc(-c2nnsc2-c2ccc(Cl)cc2)cc(OC)c1OC 28820899 SSQYHBMIAIHHGV-UHFFFAOYSA-N 362.838 4.551 0 1 FJAF O=C(CCCCCN1CCCCC1)Nc1ccc(-c2cccnc2)cc1 49046552 PKMJVYIJWZQRAF-UHFFFAOYSA-N 351.494 4.733 0 1 FJAF Clc1ccc(Cl)c(CO[C@H](CCn2cncn2)c2ccco2)c1 71329385 XBFWVDLORQIIRU-MRXNPFEDSA-N 352.221 4.526 0 1 FJAF CC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)c1ccccc1 72107458 SMBYWZUQAXCZCJ-QHCPKHFHSA-N 351.490 4.957 0 1 FJAF CC(C)[C@@H](O)c1nnc(Nc2ccc(OCc3ccccc3)cc2)s1 82078146 SLNCXRGVWRFKPQ-QGZVFWFLSA-N 355.463 4.550 0 1 FJAF CC[C@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1ccc(F)cc1 82140606 OVEPDLZKUQJYKA-AWEZNQCLSA-N 370.472 4.556 0 1 FJAF CC(=O)NC/C=C1\CCc2ccc3nc(CCCCc4ccccc4)oc3c21 96174392 HEWLIENXMUSPDG-HMMYKYKNSA-N 374.484 4.859 0 1 FJAF O=C(Nc1ccc(O)c(Cl)c1)Nc1nc2ccc(Cl)cc2s1 213910270 JIXFZVAHRYUPTN-UHFFFAOYSA-N 354.218 4.953 0 1 FJAF COc1cc(Cl)ccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587065985 CFWUMSLAWHMNTP-UHFFFAOYSA-N 364.836 4.723 0 1 FJAF COc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1F 587073327 GGNGFKZHNGBBTM-KRWDZBQOSA-N 359.832 4.701 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)cccc3[nH]2)n1 587080297 OQDWHGGXAQNKLA-QMMMGPOBSA-N 353.651 4.813 0 1 FJAF Cc1cc2[nH]c(-c3cc4cc(OC(F)(F)F)ccc4nc3C)nc2c(C)n1 587121396 ATVOXVKYLVSFIT-UHFFFAOYSA-N 372.350 4.997 0 1 FJAF Cc1cc(C)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc2c1 587198651 OOLYENZJWVGONX-UHFFFAOYSA-N 370.456 4.706 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2cc(Cl)c(F)c(F)c2[nH]1 587228282 ALZZLFAUINCJEV-UHFFFAOYSA-N 365.811 4.856 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1 587242730 QHWUBHQLHWKWFJ-UHFFFAOYSA-N 367.758 4.784 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccccc3C)n1)O2 587412989 KYIXTYMFBWUGQI-GOSISDBHSA-N 350.443 4.716 0 1 FJAF COc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(N)c1Cl 587499072 ROPKDBMJBAMSTC-OAQYLSRUSA-N 371.864 4.690 0 1 FJAF COc1ccc2[nH]cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522367 FMAPEANMJLIPGR-QHCPKHFHSA-N 361.441 4.936 0 1 FJAF CC[C@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528014 YCQWRKFKNIBOLB-HSZRJFAPSA-N 364.441 4.623 0 1 FJAF COc1ccc(C)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807643 LCFXDVFVIBYEJO-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF CCc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587817177 JBHNLIGVLXLCBX-FKIZINRSSA-N 374.297 4.875 0 1 FJAF CCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587832218 ZWMQQOBEIPEFNZ-BTDLBPIBSA-N 352.247 4.541 0 1 FJAF CCCCOc1ccc(OCCCC)n1-c1ccnc(Br)c1 587939628 HMIBARQCDZKVQU-UHFFFAOYSA-N 367.287 4.993 0 1 FJAF COc1ccc(O)n1-c1ccc(Br)cc1OCc1ccccc1 587940564 LYXHUJFGZOBDMX-UHFFFAOYSA-N 374.234 4.533 0 1 FJAF O=C(O)c1cc(C2CC2)nc2c1c(C1CCC1)nn2-c1ccc(Cl)cc1 1857551326 OKVVFKGFBOHILB-UHFFFAOYSA-N 367.836 4.917 0 1 FJAF O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(-c2ccncc2)cc1 1857574408 BGSKZKNLGRQZGZ-UHFFFAOYSA-N 372.346 4.577 0 1 FJAF C[C@H](NC=O)[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 2356680104 UVZXIKHRPFCSKF-SNVSEMBOSA-N 374.613 4.710 0 1 FJAF CC(C)[C@H](N)c1csc(Nc2ccc(C(=O)c3ccccc3)cc2)n1 61908234 OAAMVAUIYSIWBV-SFHVURJKSA-N 351.475 4.774 0 3 FJAF COc1ccc(O[C@@]2(C)CCN(Cc3ccc(-c4ccccc4)o3)C2)cc1 61928086 CQNGFMGEOKGFOQ-QHCPKHFHSA-N 363.457 4.999 0 3 FJAF O=C1Nc2c(CSc3ccccc3)ccnc2N(C2CC2)c2ncccc21 5939153 UVEOQKOAQWOPQF-UHFFFAOYSA-N 374.469 4.635 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386018 MLZFGDUUCSXZHX-MLIOMYKMSA-N 371.565 4.857 0 1 FJAF COc1ccc(CCC(=O)N2CCS[C@H]2c2ccc(C)c(C)c2)cc1 38149964 OXUFOBBLRPQGQJ-NRFANRHFSA-N 355.503 4.519 0 1 FJAF Nc1ncnc2scc(-c3ccc(NC(=O)Nc4ccccc4)cc3)c12 63298185 RYAVJHIPOWNWDE-UHFFFAOYSA-N 361.430 4.585 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187627 FZZHKUDHKPGMHF-AWEZNQCLSA-N 367.472 4.544 0 1 FJAF O=C1NC(=O)/C(=C/c2cn(Cc3cccc(Cl)c3)c3ccccc23)S1 106695065 FCBZQKHOWFGNEX-MFOYZWKCSA-N 368.845 4.667 0 1 FJAF CC(C)(C)OC(=O)N1[C@@H](COc2cccc3ccccc23)COC1(C)C 219730924 XXWHAFAREXPQQX-INIZCTEOSA-N 357.450 4.591 0 1 FJAF biogenic COc1ccc(C2(CNC(=O)c3cc(C)ccc3Cl)CCCC2)cc1 473183384 WOBRKCGKHFVCSZ-UHFFFAOYSA-N 357.881 4.899 0 1 FJAF O[C@H]1C[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586902208 JWEZSBICXIJNHH-RISCZKNCSA-N 352.743 4.804 0 1 FJAF Cc1cccc(N)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986845 FPZNHJVMLTUKLQ-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587191865 OOROQHPVUXOCGC-HNNXBMFYSA-N 372.856 4.568 0 1 FJAF NC(=O)Nc1ccc(-c2nc3cc(Sc4ccccc4)ccc3[nH]2)cc1 587243096 FMWLLYZESQWDHU-UHFFFAOYSA-N 360.442 4.872 0 1 FJAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 587338564 OJZJYJJCCQXQAC-IFMALSPDSA-N 363.388 4.509 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCC[C@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587417967 FZWZYLFDTYKMNZ-CKJXQJPGSA-N 354.833 4.803 0 1 FJAF CCCCC[C@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451825 RORLBYRPVNKREI-XMSQKQJNSA-N 352.430 4.624 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1sc4ccccc4c1C)[C@@H](C2)C3=O 587452911 OEWSSCMGZOYEHJ-YCRPNKLZSA-N 350.439 4.881 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(C(F)(F)F)c(C)s1)CC2=O 587464258 MODVBXMHDYZUPL-CYBMUJFWSA-N 371.380 4.835 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cc(F)ccc3n1)CC2=O 587472816 VNJSBUILQCJZNQ-HXUWFJFHSA-N 351.377 4.739 0 1 FJAF O=C1C[C@H](c2ccc(OCC(F)F)cc2)Oc2c1ccc1c2CCCC1 587506351 NOMWMZSPFYCCHP-LJQANCHMSA-N 358.384 4.916 0 1 FJAF CCOP(=O)(C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587534370 ZSABVQNSXQEPQS-IBGZPJMESA-N 366.394 4.555 0 1 FJAF Cc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602458 HUJBGOGPXOPHGN-REWPJTCUSA-N 358.393 4.504 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1sccc1Cl 587614310 RTPKCWXOKIWVLT-PBHICJAKSA-N 358.802 4.810 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1csc(Cl)c1 587615574 YPEGTRMSRWJRAO-QAPCUYQASA-N 358.802 4.810 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccsc1 587867005 PKCCFJLNTDOPGM-UHFFFAOYSA-N 366.364 4.718 0 1 FJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(Br)cc2[nH]1 587928752 BYWXBWBJTQNAJT-UGSOOPFHSA-N 357.251 4.779 0 1 FJAF COc1cc(-c2ccccc2)c(OC)n1-c1cccc(Br)c1N 587937107 OGJAQFYJQXVTBZ-UHFFFAOYSA-N 373.250 4.506 0 1 FJAF Cc1cc2c(cc1F)[C@@]1(CCCc3[nH]c4ccc(Cl)cc4c31)NCC2 962146300 NTICZSKCTOCFOQ-OAQYLSRUSA-N 354.856 4.994 0 1 FJAF CC1=C(C/C(C)=C/c2ccccc2)/C(=C/CO)[C@@H]2OC(=O)O[C@]2(C)C12CC2 15974379 CBDRSGPKRVCOOT-MVOBDAQNSA-N 366.457 4.803 0 3 FJAF Cn1c(-c2ccco2)nc2cnc(Nc3cccc(C(F)(F)F)c3)cc21 74388424 KFBMQDNSSGUYTJ-UHFFFAOYSA-N 358.323 4.991 0 3 FJAF COc1ccccc1CCn1cnc(-c2ccccc2OC)c1C(C)C 95598508 ASXKPGPQXSHYIQ-UHFFFAOYSA-N 350.462 4.933 0 3 FJAF O=c1[nH]c2cc(Cl)ccc2c(OCc2ccncc2)c1-c1ccccc1 26579810 UVNBFZFGAREOQT-UHFFFAOYSA-N 362.816 4.823 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccccc1F 53296892 XCCBBLZKVMCHHJ-HNNXBMFYSA-N 368.264 4.527 0 1 FJAF COc1ccc(Nc2nccc(-c3c(C)[nH]c4ccc(OC)cc34)n2)cc1 72107180 NONAINIKZPCPPP-UHFFFAOYSA-N 360.417 4.694 0 1 FJAF O=C(Nc1ccc(C[C@@H](O)c2ccccc2)cc1)c1ccccc1Cl 72182624 PITHTZJGIBVHTN-HXUWFJFHSA-N 351.833 4.868 0 1 FJAF Nc1nc(Nc2ccc(Cl)cc2F)c2c(n1)[nH]c1cccc(Cl)c12 95588477 AWTDSPKSEWBWCH-UHFFFAOYSA-N 362.195 4.883 0 1 FJAF Cc1ccc(CN(C(=O)O[C@H]2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1 101152218 FIYZCZVBIXLYNG-REPLKXPHSA-N 370.518 4.825 0 1 FJAF COC(=O)c1cc2cc(OC/C=C(\C)CCC=C(C)C)ccc2oc1=O 103271090 QLALDPLWXIRUTE-XNTDXEJSSA-N 356.418 4.651 0 1 FJAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC[C@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 105495175 DZAYTXGDCMMRGZ-BOCGTDMKSA-N 372.461 4.590 0 1 FJAF endogenous,in-man CCn1cc(-c2ccccc2)nc1CSc1nc2cc(C)cc(C)n2n1 113421391 GMMJSWDWSAZOKR-UHFFFAOYSA-N 363.490 4.522 0 1 FJAF CC1(C)OC(=O)N(c2ccc(-c3ccc[nH]c3=O)cc2)[C@H]1c1ccccc1 147164528 KMAJMZAVYAUOAU-IBGZPJMESA-N 360.413 4.518 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1 167227562 SOKJCLQBXDDITD-UHFFFAOYSA-N 371.484 4.866 0 1 FJAF O=C(O)[C@@H](CC(=O)C1(S)CCCC1)Cc1ccc(-c2ccccc2)cc1 219763841 YQNCAIMXIRNLHN-LJQANCHMSA-N 368.498 4.799 0 1 FJAF Cc1cc(Cl)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587008472 WMUKKNLFVBJODJ-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(Cl)c(Cl)cnc2[nH]1 587026635 GQYPWXNJUORLSQ-UHFFFAOYSA-N 365.245 4.880 0 1 FJAF COc1cc2nc(Cc3nc(-c4ccsc4)oc3C)[nH]c2cc1Cl 587027245 SDHXDNTXQNSIOP-UHFFFAOYSA-N 359.838 4.841 0 1 FJAF CCOc1cc(/C=C/c2nc3ccc(OC)cc3[nH]2)ccc1OC(F)F 587129725 FPSPXNKMISNRRR-WEVVVXLNSA-N 360.360 4.742 0 1 FJAF O=C(Nc1cccc(-c2nc3ccc(F)c(F)c3[nH]2)c1)c1ccc(F)cc1 587164240 ZBBKJASDSFMWLM-UHFFFAOYSA-N 367.330 4.900 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)c1ccccc1O 587205656 BHPOCAXTLUTKGD-UHFFFAOYSA-N 365.388 4.577 0 1 FJAF CCCn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C2CC2)n1 587514543 GVKBKZZDRCJJEV-FQEVSTJZSA-N 350.462 4.756 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)c(F)c1 587555529 GQFISRGCGQJPPT-JXFKEZNVSA-N 372.298 4.512 0 1 FJAF CC(C)COc1cccc(OCc2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587566176 ZDBBWQXEZMUEHK-UHFFFAOYSA-N 365.355 4.591 0 1 FJAF C[C@]1(c2ccc3[nH]ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588025 IZFPDEGAOIUZPE-NZQKXSOJSA-N 371.392 4.751 0 1 FJAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)cn1 587630262 XCKRGNSPEUYMHB-UHFFFAOYSA-N 359.710 4.589 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc(O)c2Cl)N1 587694888 MPRKGFUTAHSBBJ-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725539 QUZKEUGYPVMSAX-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587818954 SYNRYKKFGYRKKT-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1cccc(C)c1 587870379 GOZKVHRRUMWUBJ-OAHLLOKOSA-N 368.408 4.504 0 1 FJAF O=C(CCSc1ccc(F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873453 FRRNTXNPPQQSAL-UHFFFAOYSA-N 358.369 4.757 0 1 FJAF COc1ccc2c(c1)nnn2-c1ccc(-c2nc3ccccc3s2)cc1 653889477 DQWYHKKYMJYBKP-UHFFFAOYSA-N 358.426 4.706 0 1 FJAF Fc1ccc(F)c(-c2cncn2-c2ccc(OC(F)(F)F)cc2)c1F 1772650678 AQMKCFGCLUVTSA-UHFFFAOYSA-N 358.241 4.855 0 1 FJAF CCC(CC)C(=O)Cc1c(-c2ccc(OC)cc2)nn2c(C)cc(C)nc12 1772654291 NKDDFUXDNPNDOJ-UHFFFAOYSA-N 365.477 4.570 0 1 FJAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1ccc2c(c1)OCCO2 1857538583 YUIISBRMZHTBFN-NSCUHMNNSA-N 364.272 4.910 0 1 FJAF CC1=C[C@@H]2CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@@]3(C)[C@@]23CC[C@H]1C3 2356733985 ISUWFQVXZCXIRR-NJZGOQBBSA-N 374.521 4.973 0 1 FJAF COC(=O)C(=O)CCCCCCCOc1ccc(-c2ccccc2)cc1 13553315 VYLGTNTVBFZHQA-UHFFFAOYSA-N 354.446 4.815 0 1 FJAF CC[C@@](O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 13586437 UMRHVJNUPPAJDE-VWLOTQADSA-N 373.496 4.623 0 1 FJAF C/C(=N\N(C)C)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27431134 NFCLKPWCVFMOEG-YIBPUSLCSA-N 356.554 4.784 0 1 FJAF CCOC(=O)CCCOc1ccc(OCc2ccc3ccccc3n2)cc1 28219575 PCHDHTCCCIZCGS-UHFFFAOYSA-N 365.429 4.536 0 1 FJAF Cc1c(OCCCSc2ccncc2)ccc(C(=O)CC(C)C)c1O 28364139 PRJPXTVQWJINCZ-UHFFFAOYSA-N 359.491 4.886 0 1 FJAF COc1ccc(-c2ccc(-c3ccc(O)cc3)c(OC)c2OC)cc1OC 96930201 XKJNZRGQIMXEMJ-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF Fc1cccc(F)c1Cn1ccc2nc(-c3c(F)cccc3F)nc-2c1 100065500 OGMWMSBOUAJNBU-UHFFFAOYSA-N 357.310 4.655 0 1 FJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(C)o1 100703321 KYSHKOAHERKVIY-OAHLLOKOSA-N 371.462 4.800 0 1 FJAF Nc1ncnc2c1[C@H](c1ccc(Cl)cc1)c1ccc3cccnc3c1O2 103200339 RJMPBRDJPJTNAX-OAHLLOKOSA-N 360.804 4.546 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@H](c2cccc(F)c2)C2=C(O)CCCC2=N1 103930401 QSZWYOFXJNDHEX-FQEVSTJZSA-N 368.452 4.646 0 1 FJAF Nc1ncccc1-c1cc(Cc2ccc(CNc3ccccc3)cc2)no1 113990707 XWBOXGGPJROMJK-UHFFFAOYSA-N 356.429 4.522 0 1 FJAF CN(C)CC/C=C1\c2ccc(Br)cc2COc2ccccc21 140654048 LJQUQJVFRXTODJ-REZTVBANSA-N 358.279 4.725 0 1 FJAF CC(=O)O[C@@H]1C[C@@H](C)[C@]2(CC[C@@]3(C=COC3)O2)[C@@]2(C)CCCC(C)(C)[C@H]12 238730798 FWXSOZHEZZNUHJ-CUIOVFSASA-N 362.510 4.622 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587026323 BWOXNXFHJQFZIO-UHFFFAOYSA-N 367.327 4.735 0 1 FJAF Cc1c(-c2nc3c(C)cc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029595 QNYMASJLQIFKGY-UHFFFAOYSA-N 370.865 4.674 0 1 FJAF Fc1cc2[nH]c([C@@H]3C=C(c4ccc(Cl)cc4)NO3)nc2cc1Cl 587075553 DWGYFXIHNPXTFR-HNNXBMFYSA-N 350.180 4.626 0 1 FJAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C)N4)[nH]c2cc1Cl 587126945 OZOVHZIUMXEVGC-OQPBUACISA-N 369.778 4.696 0 1 FJAF C[C@@H](c1nc2ccc(O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129888 NIIUGTSNIOHCQX-YFKPBYRVSA-N 362.714 4.603 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c(N)cc1F 587135692 BCSXQGYCWUYLPB-UHFFFAOYSA-N 371.309 4.685 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587148721 FIHYVYIPZZTCAW-MRXNPFEDSA-N 352.800 4.952 0 1 FJAF CCC(=O)CC[C@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349583 CJZWFNNCIKVCIL-UNMCSNQZSA-N 370.420 4.798 0 1 FJAF C[C@]1([C@H]2C[C@@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350345 DOUSCSIGXBVLOK-MZRSNPADSA-N 364.416 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(C(F)(F)[C@H](F)C(F)(F)F)CC2=O 587463394 YQUVIASXNHDAFT-UONOGXRCSA-N 370.289 4.604 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)cc3cccnc13)CC2=O 587470150 DRTUJCAIMKFVJJ-IBGZPJMESA-N 351.377 4.739 0 1 FJAF O=C(O)c1csc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587534045 AOGDPJNIQIKYCN-NRFANRHFSA-N 368.454 4.522 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@@H]1c1ccccc1 587602836 LJRJJXDXGJCKCF-VMXDCPSBSA-N 358.393 4.526 0 1 FJAF CC(C)=CC[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603848 RWMGTUZRXPICSK-DENIHFKCSA-N 350.414 4.859 0 1 FJAF Cc1[nH]c2c(C)cc(Cl)cc2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587626627 TZWNRHAJYVRBOG-UHFFFAOYSA-N 367.792 4.884 0 1 FJAF COc1cccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cccc(F)c23)c1 587634245 VWUUVRFHIRNAOE-UHFFFAOYSA-N 353.727 4.835 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc(F)ccc2F)N1 587718054 MHSBFAXKSMDKAK-XYZCENFISA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2sccc2Cl)N1 587844600 OMADKOOKNUHPOS-WPPNPWJKSA-N 360.679 4.927 0 1 FJAF COc1ccc(/C=C/Cc2nc3ccc(Br)cc3[nH]2)c(OC)c1 587930715 UOFDOOMOYCCOHG-ONEGZZNKSA-N 373.250 4.599 0 1 FJAF C[C@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587963109 LNUULRCKECHRJZ-OLZOCXBDSA-N 361.470 4.997 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c(Cl)cccc1Cl)N(C)[C@@H](C)C2 962616293 ACDKRRWKHHUMNC-JEOXALJRSA-N 366.288 4.976 0 1 FJAF COc1ccc(F)c(F)c1[C@H]1c2ccsc2CCN1Cc1cccnc1 962991005 CWHVCSQKBQTRJQ-HXUWFJFHSA-N 372.440 4.578 0 1 FJAF COc1ccc(-c2nc(O)c3ccccc3n2)cc1Oc1ccc(F)cc1 1772594153 LFHQROJYNRFKKE-UHFFFAOYSA-N 362.360 4.942 0 1 FJAF O=C(c1ccc(-c2ccc(F)cc2F)s1)c1c(F)ccc(O)c1F 1772619436 ONXNWUVXVICUKL-UHFFFAOYSA-N 352.308 4.908 0 1 FJAF Cc1ccccc1CN(C[C@@H](O)COc1cccc2[nH]ccc12)C(C)(C)C 2382249350 AJVVTPSYPKQMBO-LJQANCHMSA-N 366.505 4.517 0 1 FJAF O[C@@H](c1cccnc1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61904871 GJKMLDAVZMSFQP-WHWKNOJMSA-N 362.376 4.809 0 3 FJAF CN1CCCC[C@@H]1C(C)(C)OC(=O)C(c1ccccc1)c1ccccc1 608026 FKFABDZLGKRECY-HXUWFJFHSA-N 351.490 4.625 0 1 FJAF in-man Cc1ccc(-c2c(C(=O)N3CCC(C)CC3)oc(=O)c3ccccc23)cc1 4972078 BOQBEZXQXOOQHA-UHFFFAOYSA-N 361.441 4.641 0 1 FJAF Oc1cccc([C@@]23CCN(CC4CC4)[C@@H](Cc4[nH]c5ccccc5c42)C3)c1 13741149 JUOSJPCGOWDYLK-UUOWRZLLSA-N 358.485 4.590 0 1 FJAF O=S(=O)(O)C(F)(F)c1cccc(-c2ccc(-c3ccccc3)cc2)c1 13837852 JMNDQIVTCSUGMV-UHFFFAOYSA-N 360.381 4.958 0 1 FJAF O=C1C[C@@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27090482 AGELYGZESLHYFS-JTQLQIEISA-N 358.224 4.748 0 1 FJAF C[C@H]1CCC[C@@H](C)N1CCCC(C(N)=O)(c1ccccc1)c1ccccc1 29555038 JNOQHEQRKNYCJI-BGYRXZFFSA-N 364.533 4.501 0 1 FJAF O=C1NC(=O)/C(=C/c2cccc(-c3ccccc3OC(F)(F)F)c2)S1 34095797 SUCVKZFQEWRCCF-ZROIWOOFSA-N 365.332 4.576 0 1 FJAF O=C(CCCCCCCCCCOc1cc(O)cc(O)c1)NCC1CC1 40949590 OWIWICJORCNNPE-UHFFFAOYSA-N 363.498 4.514 0 1 FJAF CCn1cc([C@@H]2CCN(C(=O)c3ccc(OC)cc3C)C2)c2ccccc21 84687273 ZCUUJRXBURNUGR-QGZVFWFLSA-N 362.473 4.608 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 101433246 IPGUXKPRPBBMKG-XNPXOOOUSA-N 357.538 4.874 0 1 FJAF CC(C)[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102081886 RYSIGTFHFNVXDG-MPGHIAIKSA-N 367.942 4.625 0 1 FJAF CC1CCC(COc2cccc(/C=C3\SC(=O)NC3=O)c2Cl)CC1 115796276 XLUQPERBFVBPLU-DHDCSXOGSA-N 365.882 4.869 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]12C 253635536 RDPJISLOFXUIDK-GISPUJEISA-N 357.538 4.515 0 1 FJAF investigational C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccccn1)[C@@H]2O 299870121 NEJZGGCMSBCPLE-OYGOEKDMSA-N 361.485 4.698 0 1 FJAF in-vivo Fc1ccc2nc(CCc3cc4ccccc4o3)[nH]c2c1Br 586903334 ITAVOECMWJDQLK-UHFFFAOYSA-N 359.198 4.996 0 1 FJAF CN(C)c1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988313 IYEYCVIROPROJH-UHFFFAOYSA-N 366.420 4.885 0 1 FJAF FC(F)(F)c1cnc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2c1 587032656 LWUDBEORBSXSBN-UHFFFAOYSA-N 374.391 4.985 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cccc(C(F)(F)F)c3n1)O2 587383745 VMGOTMBGYDJIDT-KRWDZBQOSA-N 372.346 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)ncc1Cl)CC2=O 587460239 HLTPKXMLOVWGIX-OAHLLOKOSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(Cl)cnc1Cl)CC2=O 587462785 SWAMZBGZMGRZLC-GOSISDBHSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CCCOC)(c1ccc(F)cc1)CC2=O 587466101 ISEJAORKGLDWSD-JOCHJYFZSA-N 372.436 4.771 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccccn1)CC2=O 587489747 WAWFSPAHEYMNSX-XMMPIXPASA-N 373.452 4.843 0 1 FJAF O=C1CC2(CCN(C3CCCCC3)CC2)Oc2c1ccc1c2CCCC1 587512354 CVJHJAAPCIYGFH-UHFFFAOYSA-N 353.506 4.698 0 1 FJAF CCC[C@@H](C)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513686 KYJMRNUZURRGTM-QGZVFWFLSA-N 355.522 4.801 0 1 FJAF Cc1ccc(F)cc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570739 XMXWXZQKVUEMJK-RXVVDRJESA-N 350.345 4.543 0 1 FJAF O=C(C1CCCCC1)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587656850 RXHMAIQNQCGBCQ-UHFFFAOYSA-N 368.383 4.562 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587820145 YIYQWWVANFUUGQ-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccc(Br)nc2[nH]1 587951649 ICVSFWZUDCDHFQ-LOWVWBTDSA-N 352.276 4.767 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccccc1-c1ccncc1)N(C)[C@H](C)C2 962625840 JZODQMDWIBIHDM-VOIUYBSRSA-N 374.484 4.732 0 1 FJAF Cc1ncc2c(n1)C(C)(C)[C@@H]1CCc3ccc(OC(C)C)cc3[C@@]1(C)C2 1857600548 MXQYRDRJXBQJCF-NZQKXSOJSA-N 350.506 4.926 0 1 FJAF CCC(C)(C)[C@@H]1CCc2n[nH]c(C(=O)NCc3ccc(Cl)cc3)c2C1 36387424 YCQCYEURLYELKK-CQSZACIVSA-N 359.901 4.534 0 3 FJAF CCCC[C@@H]1C[C@H]1[C@@H](NC(=O)c1ccccc1)c1ccc(C(=O)OC)cc1 5978516 ZMSDHYXFUJUMDA-NJYVYQBISA-N 365.473 4.771 0 1 FJAF COc1ccc([C@H]2[C@H](C)[C@@H](C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 14726785 IOTXFXWARGNLEJ-SRLQQUAWSA-N 356.462 4.874 0 1 FJAF biogenic CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386039 RDPJISLOFXUIDK-VFEAMHBCSA-N 357.538 4.515 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CSCCc1ccccc1 28094201 ZLEMKOGTMZQMLN-RKJGUKDRSA-N 374.546 4.957 0 1 FJAF COc1ccc2c(c1)Oc1ncnc(Nc3ccc(F)c(Cl)c3)c1NC2 28572465 JOFQQHKMORZRGK-UHFFFAOYSA-N 372.787 4.739 0 1 FJAF CCC[C@@H](CC1(C(=O)N[C@@H]2CCCC[C@@H]2CCC)CCCC1)C(=O)O 34803442 BUCJOPVIFDLZCA-OKZBNKHCSA-N 351.531 4.913 0 1 FJAF O=C(c1ccc(OC[C@H]2CCCN2)cc1)c1ccc(-c2ccsc2)cc1 39257802 VUWFJUJWAWMRQN-HXUWFJFHSA-N 363.482 4.777 0 1 FJAF in-vivo Cc1cccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)c1 84602754 JXIGVUPYYZGRRZ-QFIPXVFZSA-N 359.469 4.522 0 1 FJAF in-vitro COc1ccc(Nc2nnc3cc(-c4ccccc4OC)cc(C)c3n2)cc1 96167695 NFEJVCVROJALGH-UHFFFAOYSA-N 372.428 4.761 0 1 FJAF O=P(O)(O)C(F)(F)c1cccc(-c2cccc(C3CCCC3)c2O)c1 96285009 QUKHNISJVSBBJJ-UHFFFAOYSA-N 368.316 4.944 0 1 FJAF O=C(Nc1ccc([C@H]2CCNC2)cc1)Nc1ccc(Cl)cc1Cl 117717744 ZTEFAROQYWRPAH-LBPRGKRZSA-N 350.249 4.714 0 1 FJAF O=C(Nc1ccc2ccccc2n1)Nc1cccc2c1[C@@H]1CCCCN1C2=O 118089175 AWEGSLJDAPXFHZ-SFHVURJKSA-N 372.428 4.560 0 1 FJAF COc1cccc(CCc2ccccc2OCc2ccc3c(c2)OCO3)c1 169311020 CFBJBPZPSBQJRC-UHFFFAOYSA-N 362.425 4.788 0 1 FJAF Cc1c(Br)cc2nc(-c3ccccc3/C=C/C(=O)O)[nH]c2c1C 586882289 MXOBEWCNBPPKQR-BQYQJAHWSA-N 371.234 4.707 0 1 FJAF Cc1c(Br)ccc2nc(/C=C/c3ccccc3C(=O)O)[nH]c12 586882529 WYCLSTJNEIQPHE-RMKNXTFCSA-N 357.207 4.502 0 1 FJAF Clc1ncc(Br)c2nc([C@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885431 USUAENSZNOJZJF-DGIRIXITSA-N 366.690 4.842 0 1 FJAF Oc1cccc(CCCCc2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 586896095 JUXBDLXRVSWDLV-UHFFFAOYSA-N 352.331 4.992 0 1 FJAF Clc1cccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c12 587017872 RPPJFCSPOAHTGG-UHFFFAOYSA-N 353.834 4.942 0 1 FJAF Cc1ncsc1CCc1nc2cc(Cl)cc(Br)c2[nH]1 587027042 MWPXMAHBDMOSTA-UHFFFAOYSA-N 356.676 4.529 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104529 RIAGYFHONDUECA-KRWDZBQOSA-N 372.424 4.568 0 1 FJAF CC(C)(C)n1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587104786 ISRYUIZZHRGZFT-UHFFFAOYSA-N 369.424 4.770 0 1 FJAF COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587196894 YTGLLWXHGYQYFM-UHFFFAOYSA-N 361.420 4.917 0 1 FJAF CC(C)[C@@H](c1nc2ccc(F)c(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587198249 VMJFCEHAGSKCAK-SFHVURJKSA-N 373.403 4.807 0 1 FJAF Cc1ccc(NC2(c3nc4cncc(Br)c4[nH]3)CCCC2)cc1 587237599 VQDFCOGDEIHIBF-UHFFFAOYSA-N 371.282 4.910 0 1 FJAF CCOC(=O)Cc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587362233 HCFGACGNMIEMIK-UHFFFAOYSA-N 361.397 4.762 0 1 FJAF CCCCc1nc2cccc([C@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 587394598 ILEOZWSJCBJCLJ-QFIPXVFZSA-N 364.445 4.942 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cc(C)cc(C)c1)[C@@H](C2)C3=O 587429832 DIGICJCXQUMNMO-MBSDFSHPSA-N 359.425 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(-c4cccc(O)c4)c1)[C@@H](C2)C3=O 587452923 VYKSRAODMSQUHM-RDPSFJRHSA-N 372.420 4.731 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cccc(OC)c3o1)CC2=O 587483118 RGQBCVRCGWLTLR-QFIPXVFZSA-N 366.413 4.980 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC 587498131 MAMZLSHIPHONSH-SFHVURJKSA-N 372.848 4.943 0 1 FJAF C/C(=C/[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587531504 LKVLRXATPNTAJZ-GGPCEYCGSA-N 367.514 4.953 0 1 FJAF CCc1ccc(CC[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587604752 XXYCPFXSXCUASM-UNMCSNQZSA-N 374.436 4.918 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2o1 587619823 ZPGWDCFVHNFFPI-UGKGYDQZSA-N 358.349 4.841 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccccc1Cl 587653857 MXHWIGACMKAADK-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccsc2)N1 587854109 PUKKRQRUADKPJA-QFYYESIMSA-N 354.288 4.642 0 1 FJAF COC(=O)c1cnc2c(c1)c1ccccc1n2Cc1cccc(Cl)c1 653700514 QSTPYHGTSARTQT-UHFFFAOYSA-N 350.805 4.678 0 1 FJAF CCc1ccccc1-c1cccc2sc(CN3CC(C(=O)O)C3)cc12 1772581381 QQCYMYMAUGGCIK-UHFFFAOYSA-N 351.471 4.647 0 1 FJAF Oc1cc2[nH]nc(Cc3ccccc3)c2cc1-c1ccnn1-c1ccccc1 1772608456 XBGRZWVCOXMUCW-UHFFFAOYSA-N 366.424 4.712 0 1 FJAF CCCCCc1cc2c(c3c1[C@H](C)O[C@H](C)O3)[C@H]1CCC(=O)N1[C@H](C)O2 2356322567 PIOPAXQEDVOKMS-RZLSGREXSA-N 359.466 4.637 0 1 FJAF COc1ccc2c(C(=O)NCc3ccccc3)cc(-c3ccccc3)nc2c1 13762329 ULHFEESQDIXXBS-UHFFFAOYSA-N 368.436 4.840 0 1 FJAF Cc1nc(N2CCCCC2)c2[nH]c(C34CC5CC(CC(C5)C3)C4)cc2n1 13834974 HCWLOAJEDUTBMI-UHFFFAOYSA-N 350.510 4.724 0 1 FJAF C=C/C=C1\C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C12 26483935 GVMYVUUOWVTMJJ-HSPPCFLGSA-N 364.485 4.991 0 1 FJAF CC(=O)SC1=C2CC[C@@H]3[C@H](CC[C@]4(C)C(=O)CC[C@H]34)[C@@]2(C)CCC1=O 27640655 GMZBMJBCDDHOMP-COWMIZEISA-N 360.519 4.695 0 1 FJAF C[C@H]1[C@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CCN2C 29395261 ZWNBQNVLKMXTEK-ZAOYMGCJSA-N 351.515 4.773 0 1 FJAF COc1cc(C(C)=O)ccc1OCCCN1CCC(c2ccccc2)CC1 40504812 WKPGTRHRCIIBOJ-UHFFFAOYSA-N 367.489 4.546 0 1 FJAF Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1 40829447 OIANGKGOYKDGQV-AWEZNQCLSA-N 366.852 4.864 0 1 FJAF FC(F)(F)c1cccc(CNc2cc(-c3c[nH]c4ncccc34)ncn2)c1 63539752 KBDRSPRFXNCQAM-UHFFFAOYSA-N 369.350 4.651 0 1 FJAF O=C(Nc1c(Cl)cccc1Cl)NC(C(F)(F)F)C(F)(F)F 68573435 XWKADZHDHGVCQA-UHFFFAOYSA-N 355.065 4.608 0 1 FJAF biogenic Cc1cc(OCCN2CCC(C)CC2)nn1-c1ccc(Cl)c(Cl)c1 95555637 JIVRCGZMNKXPEB-UHFFFAOYSA-N 368.308 4.598 0 1 FJAF CN(Cc1ccccc1)C(=O)[C@H]1CCCc2c1c1ccccc1n2CC[18F] 102897554 FJAMEGHJYXTEHB-QNHXASBCSA-N 363.467 4.689 0 1 FJAF Cc1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1C(=O)NC(C)C 103185291 BJNMMTUPOQHPTH-UHFFFAOYSA-N 365.260 4.692 0 1 FJAF CC1=Nc2ncnn2[C@@H](c2ccc(Cl)cc2)/C1=C(\O)OC1CCCCC1 104115803 BNCPJRIRSTZVOF-HVESIFNPSA-N 372.856 4.746 0 1 FJAF Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H]1CCCCc2ncsc21 220883560 TVFHRAFZEAVYBF-GFCCVEGCSA-N 369.317 4.885 0 1 FJAF Nc1cnc(-c2ccc(-c3cccnc3OC3CCCCC3)cc2F)cn1 224726591 NACUMCUXIRQTIJ-UHFFFAOYSA-N 364.424 4.638 0 1 FJAF CC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@@H](OC(=O)C=C(C)C)C1(C)C 238746053 AXJLAMRDMMTQFT-UYGSHGSRSA-N 370.489 4.897 0 1 FJAF C/C=C/c1ccc(O[C@@H](C)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 238756540 YRLPIFOGCBUSPJ-NPNYKPOCSA-N 358.434 4.598 0 1 FJAF CC(C)Cc1ccc(-c2[nH]c3nc(N)nc(N)c3c2-c2ccccc2)cc1 299834957 TWDCEBOPHRVMBO-UHFFFAOYSA-N 357.461 4.655 0 1 FJAF CC1(C)COc2c(-c3nc4cc(F)cc(Br)c4[nH]3)cccc21 586911624 JSFSKQVYAJLQIG-UHFFFAOYSA-N 361.214 4.802 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2ccc(Br)nc2[nH]1 587048928 DBSOWBPZEOKPQL-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF Cc1cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c2cc1Br 587058539 WYWHJANKZXLLBE-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](CO)CC3)c1 587365646 IWJLYOPQVWYTQG-CQSZACIVSA-N 359.425 4.754 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(OC(F)F)cc1)O2 587381893 IPTWKBKSUIRDPY-FQEVSTJZSA-N 361.388 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCC(C)CC3)cc1)O2 587397238 YLYUBZUUMCRZQE-QHCPKHFHSA-N 364.489 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccnc(C(F)(F)F)c1)CC2=O 587464658 VJMAHMPOEFRXOD-GOSISDBHSA-N 365.351 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)F)c(F)c1)CC2=O 587465367 HXUYDPXJPHGZFQ-QGZVFWFLSA-N 366.335 4.792 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1F 587554774 FHKOFOPABVAKCR-MGPUTAFESA-N 372.298 4.512 0 1 FJAF Cc1c(F)cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587723959 ZZXODGZXLXZPBK-VVVCHXIZSA-N 352.222 4.659 0 1 FJAF CC[C@@]1(Cc2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831539 XSEUJVRZIUOVOC-DIFFPNOSSA-N 352.247 4.563 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C)c(Br)cc3[nH]1)CC2 587934737 NQVSAEJWQYGPPA-ZDUSSCGKSA-N 371.278 4.915 0 1 FJAF CC(=CCOc1c2ccoc2cc2oc(=O)ccc12)CC=CC(C)(C)O 2356423365 WIEGIEBFVOUTDV-UHFFFAOYSA-N 354.402 4.582 0 1 FJAF Clc1ccc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc1 4903154 VHTRYVIHEGCWPJ-UHFFFAOYSA-N 364.792 4.522 0 3 FJAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@@H](c1ccccc1)C[C@@H]2O 899654 ADIMMCHZVYYGPW-ZWKOTPCHSA-N 354.446 4.770 0 1 FJAF biogenic CCOC(=O)c1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1 1855911 KYXLSESNPQHFMS-UHFFFAOYSA-N 362.216 4.857 0 1 FJAF CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CCC23OCCO3)C1 3849716 NPOYAOIFAQWWBZ-FAGWYDQESA-N 362.554 4.913 0 1 FJAF biogenic O=C(NCc1ccccc1Cl)c1cc2c(=O)oc3ccccc3c2s1 6724165 TZAZPQISDCDZJZ-UHFFFAOYSA-N 369.829 4.591 0 1 FJAF CCOC(=O)c1c(-c2ccccc2)[nH]c2cc(OC)c(-c3cnco3)cc12 13488733 MZXHOWYGVFTMTL-UHFFFAOYSA-N 362.385 4.675 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCO[C@@H]2N3C)cc1 13609133 NPANUSRHFVUOKM-UNMCSNQZSA-N 366.461 4.875 0 1 FJAF CO[C@H]1C[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 13643555 BLHLYSLDSMMWFB-CUUWFGFTSA-N 371.908 4.696 0 1 FJAF Cc1cc(C)c2nc(-c3ccc(F)cc3)cc([C@H](O)[C@H]3CCCCN3)c2c1 27523658 LOBARGVNXYZDTC-OFNKIYASSA-N 364.464 4.833 0 1 FJAF CC(C)CCOc1cc(O)c(C(=O)CC(C)C)c(O)c1C(=O)CC(C)C 28640621 VLGXGCIDQYZQLK-UHFFFAOYSA-N 364.482 4.980 0 1 FJAF CC[S@@](=O)c1nnc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1 36126976 CHEJRRFLVQYEME-DEOSSOPVSA-N 366.552 4.633 0 1 FJAF CC1=CC[C@@H](C)O[C@@]2(C1)C(=O)N(Cc1ccc(F)cc1)c1ccccc12 36381978 FAKXMTLUDHHXRM-OPAMFIHVSA-N 351.421 4.713 0 1 FJAF CCOC(=O)c1cc(-c2cccc(OCc3cccc(Cl)c3)c2)on1 45289203 LDIHASQKQLKOHY-UHFFFAOYSA-N 357.793 4.751 0 1 FJAF O=c1[nH]c2cc(Cl)cc(Cl)c2c(-c2cc(Cl)ccc2O)c1O 63539527 UUYUVYXSHUTRGO-UHFFFAOYSA-N 356.592 4.567 0 1 FJAF O=C(c1ccc(NCCn2ccnc2)cc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 64559351 JVLXRJJBDSBUJQ-WOJBJXKFSA-N 365.864 4.635 0 1 FJAF CC(C)(C)c1cccc(-n2cnc3cc(C(=O)N4CCCCC4)ccc32)c1 103226061 VXZJWWIGSSGWDS-UHFFFAOYSA-N 361.489 4.949 0 1 FJAF CNc1nnc(-c2ccc3[nH]cc(-c4cnc5ccccc5c4)c3c2)s1 145438043 GWSMWULJBQJZOT-UHFFFAOYSA-N 357.442 4.943 0 1 FJAF CC[C@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150203195 BFIYZNDEFMHINH-AWEZNQCLSA-N 350.443 4.525 0 1 FJAF CCC[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=C(C)[C@@H]1C(=O)SCC 169721240 KZXCYNWHGAITBA-SJORKVTESA-N 373.518 4.748 0 1 FJAF CC(C)CCOc1ccc(Br)cc1-c1nc2cccnc2[nH]1 586982464 ZORNMIVAJUVSPJ-UHFFFAOYSA-N 360.255 4.812 0 1 FJAF Fc1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586984485 GBQGRZGHOZJVAJ-KRWDZBQOSA-N 374.257 4.650 0 1 FJAF Cc1c(Br)cc2nc(Cc3c(F)cncc3Cl)[nH]c2c1C 587176413 SRGGTPAHHNRJFJ-UHFFFAOYSA-N 368.637 4.721 0 1 FJAF CC(C)[C@@H](c1nc2ccc(Cl)nc2[nH]1)N(C)C(=O)OCc1ccccc1 587197254 BRQDRGRZYQOAAZ-INIZCTEOSA-N 372.856 4.577 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccc(F)cc1)CC2=O 587472794 VFCQNYLDESDAPW-LJQANCHMSA-N 366.392 4.580 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC)c(OCC)c1)CC2=O 587476303 BBZBHTPTIVBBCV-HXUWFJFHSA-N 370.445 4.849 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCC(C3CCC(=O)CC3)CC1)CC2=O 587479289 HRXQRZRWPAAMSA-UHFFFAOYSA-N 370.489 4.998 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3nc(C)sc3c1)CC2=O 587494575 KXBMNEKADIQQIJ-SFHVURJKSA-N 353.443 4.969 0 1 FJAF COc1cc(C)c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587527505 VWWMSWNSDAVALC-QHCPKHFHSA-N 366.457 4.772 0 1 FJAF C[C@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554724 FCSOJDJWAGMQFK-GHTZIAJQSA-N 368.335 4.547 0 1 FJAF Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587559102 VYHQMYXLSGUTOA-RXVVDRJESA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc[nH]c2c1 587589786 QTFRNANZWYJKIB-UGKGYDQZSA-N 357.365 4.576 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H](C3CC3)C2)N1 587817337 KGQUADZXHQWLDA-VZSAFFHGSA-N 352.291 4.918 0 1 FJAF CC[C@H](C)C[C@@]1(c2ccccn2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962627496 POPSFESJVCOSHI-HKARXFIJSA-N 368.521 4.655 0 1 FJAF CN1C(=O)C[C@H]2CN[C@H](c3ccc(-c4cccc(F)c4)cc3)c3cccc1c32 963024726 LOCTWVMCEPXVHA-MHECFPHRSA-N 372.443 4.635 0 1 FJAF CC[C@@]1(CCc2ccc(Br)cc2)NCCc2c(C)ccnc21 963066197 FUJPWRNBLPDERE-IBGZPJMESA-N 359.311 4.536 0 1 FJAF Oc1ccc(-c2n[nH]c(-c3ccc4[nH]nc(-c5ccc(F)cc5)c4c3)n2)cc1 1772618856 HJTDPYINAXKTPV-UHFFFAOYSA-N 371.375 4.527 0 1 FJAF COc1cc2c(-c3cnc(-c4ccc[nH]4)o3)c[nH]c2cc1Br 1857606728 XCOSAQGGGZDYJN-UHFFFAOYSA-N 358.195 4.589 0 1 FJAF Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@@H]4C[C@H]4C(=O)O)cc3)ccc12 1857744044 ZOCRWTIQNIUCSG-VQTJNVASSA-N 369.424 4.584 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2c(c1)CCS2 3794812 SQIVJTIOUMTFSA-IBGZPJMESA-N 367.558 4.938 0 1 FJAF CCCCCCC1=NO[C@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N(C)C 4310710 YEIQIXQPDOJJJZ-IAGOWNOFSA-N 354.853 4.581 0 1 FJAF O=C(O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)[nH]2)cc1 8536490 LPNSUJMINOXWJC-UHFFFAOYSA-N 359.360 4.643 0 1 FJAF COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C2)cc1OC1CCCC1 13741104 NWKASZAWLUVLME-MRXNPFEDSA-N 361.482 4.741 0 1 FJAF CC(=O)Nc1cc(OCc2ccc(Cl)cc2)nc(SC(C)(C)C)n1 14975637 LHNYUIMKOCZPNO-UHFFFAOYSA-N 365.886 4.558 0 1 FJAF CCN(CC)C(=O)c1ccc(C(=C2C[C@@H]3CC[C@H](C2)N3)c2ccccc2)cc1 26186604 HFTDPNTWNMNISE-ZRZAMGCNSA-N 374.528 4.885 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29409849 QHNHXSFBBNVOAL-PFIQWCICSA-N 374.613 4.808 0 1 FJAF O=C(N[C@H]1CCCc2ccc(O)cc21)C(c1ccccc1)c1ccccc1 29416568 PPETUNKYKMYMMS-QFIPXVFZSA-N 357.453 4.718 0 1 FJAF CCc1ccc(OC)c2cc(-c3ccc(-c4ccc(C(=O)O)o4)[nH]3)oc12 29467295 VIDMYGKEPZRROX-UHFFFAOYSA-N 351.358 4.957 0 1 FJAF O=C(Nc1cc(Cl)ccc1C(=O)O)c1ccc(Cc2ccccc2)cc1 66123161 RAMOYFHQPOBOAT-UHFFFAOYSA-N 365.816 4.881 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2ccccc2c1 95585280 RGUNUECSTMHJBW-IBGZPJMESA-N 365.889 4.888 0 1 FJAF CC[C@@H](C)[C@H]1O[C@@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C[C@@H]1C 96900986 KMGDCJDRYJVZCA-JQGYYDNOSA-N 371.477 4.607 0 1 FJAF Cc1ccsc1CN(C(=O)OC1C[C@H]2CC[C@H](C1)N2C)c1ccccc1 101152204 REFOKOYWCWAHCW-QZTJIDSGSA-N 370.518 4.825 0 1 FJAF Cc1ccc(C(=CCCN2C[C@@H]3[C@H](C(=O)O)[C@@H]3C2)c2ccc(C)s2)s1 101640073 JMFXQGNCJBXLCG-HGKCTWBKSA-N 373.543 4.511 0 1 FJAF Cc1cc(Cl)ccc1NC(=O)c1cc(Cl)ccc1C(=O)NC(C)C 103186473 IVYYYXKKBCBLDH-UHFFFAOYSA-N 365.260 4.692 0 1 FJAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1cccs1 103249839 JBCVIWSBWQLWAJ-UHFFFAOYSA-N 367.455 4.731 0 1 FJAF CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C1=C(O)CC(C)(C)CC1=N2 103964426 QEFSVMMQNKAURV-OAHLLOKOSA-N 374.897 4.961 0 1 FJAF COc1ccccc1Oc1cc(NC[C@@H]2CC[C@H]3C[C@@H]2C3(C)C)ncn1 104930409 OBZABPCRXBXWRJ-JYJNAYRXSA-N 353.466 4.762 0 1 FJAF O=C(Nc1ccc(CC[C@H]2CCCN2)cc1)c1ccc(C(F)(F)F)cc1 117718867 AIQBPKOKHDISMC-QGZVFWFLSA-N 362.395 4.642 0 1 FJAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc([C@@H](C)C(=O)O)ccc12 205653412 SWCINCQJQPUTBV-SNVBAGLBSA-N 363.244 4.888 0 1 FJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2cc(Cl)c(Cl)cc2[nH]1 586882051 ISUXUGUPWBRUKT-UHFFFAOYSA-N 361.228 4.798 0 1 FJAF Nc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1F 586987122 TUKHKICLADFSPA-UHFFFAOYSA-N 356.356 4.540 0 1 FJAF Brc1ccc(-c2ccc(/C=C\c3nc4cncnc4[nH]3)o2)cc1 586998883 RKELYYGBFRHVCK-VURMDHGXSA-N 367.206 4.546 0 1 FJAF Cc1ccc(Cc2nc3ccc(Br)nc3[nH]2)cc1C(F)(F)F 587094773 GQYHKZSEAIMILC-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF CCOc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cn1 587106105 LSOXCYRVJJXFFU-UHFFFAOYSA-N 352.393 4.907 0 1 FJAF Cc1c(Br)cnc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc12 587153400 ZKNVODDRXMOGQU-VHSXEESVSA-N 364.193 4.578 0 1 FJAF CCO[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351136 GCBYGMQNTGSMSN-URVUXULASA-N 370.420 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OCC(F)F)cc1)CC2=O 587467233 RRFVVOACNFCOFQ-SFHVURJKSA-N 362.372 4.695 0 1 FJAF O=C1C[C@]2(CCOc3cc(O)c(Cl)cc32)Oc2c1ccc1c2CCCC1 587503363 UGXXHNIBBAEAAD-NRFANRHFSA-N 370.832 4.568 0 1 FJAF O=C1C[C@@]2(CCc3c2[nH]c2ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510209 VNDKYSKDMDEXJA-HSZRJFAPSA-N 361.416 4.993 0 1 FJAF Cc1ccnc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512856 PAPXPSOBMCWMCY-OAQYLSRUSA-N 358.441 4.766 0 1 FJAF CC1(C)[C@H]2CC[C@@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]1C2 587604250 RROAJGKSXODTCD-YQXROLDKSA-N 350.414 4.549 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4OC)cc3)nc2c1 587933173 UTYJDQHUAUDJNJ-UHFFFAOYSA-N 358.397 4.692 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2n[nH]cc2-c2ccccc2)cc1 962659407 GNCUBDPJEPTISH-HSZRJFAPSA-N 351.453 4.979 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](F)c2ccccc2)CC1 1857567866 VLXGGMZFUUJXRR-OAQYLSRUSA-N 354.469 4.605 0 1 FJAF COc1cccc(Nc2ncc(C)c(Nc3nc4ccccc4s3)n2)c1 1857620306 YXRPPDJHONCVCL-UHFFFAOYSA-N 363.446 4.891 0 1 FJAF CCCCn1cc(C(=O)c2nc3ccc(F)cc3n2C)c2cccc(F)c21 2382246888 BCXKEPWQDBIUCL-UHFFFAOYSA-N 367.399 4.837 0 1 FJAF Oc1nc2ccccc2n1[C@H]1CCN2[C@H](C3CCCCC3)CCC[C@@H]2C1 13588459 YREGMDIGXZOSIF-HBFSDRIKSA-N 353.510 4.880 0 1 FJAF CC[C@@]1(CC(=O)O)OC[C@@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26280373 LYCDISHWFIQTOZ-HXOBKFHXSA-N 363.457 4.913 0 1 FJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cncnc1 26402717 XMXLTCQVKKQCBG-GBRCSQGFSA-N 350.506 4.794 0 1 FJAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@@H]2Cc1ccc(F)c(F)c1 26570933 LOCCGQRYKAGKMB-CQSZACIVSA-N 370.374 4.765 0 1 FJAF CCc1nc2n(c1C(=O)Nc1ccccc1)CCN2c1c(C)cc(C)cc1C 28131590 VPVMFDOUFLURLY-UHFFFAOYSA-N 374.488 4.775 0 1 FJAF CCCCCOc1c(Cl)cc(Cl)cc1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 29410426 QSIRJZYRKYCFTN-MUHKLVGJSA-N 373.276 4.642 0 1 FJAF CC(C)(C)CCN1CCC(CNC(=O)c2ccc(Cl)c(Cl)c2)CC1 40430576 FTRIEQIYYMJWDS-UHFFFAOYSA-N 371.352 4.871 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](c4ccc(O)cc4)[C@H]3[C@@H]1CC[C@@H]2O 66252533 KTVUTWOYCMVLMV-CKOZHMEPSA-N 364.485 4.709 0 1 FJAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1C[C@@H](C)CC 82179371 SSTLQIGJIYVWTB-HNNXBMFYSA-N 351.498 4.745 0 1 FJAF C[C@@H](Cc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95605046 ZDTMGMWJGMCODV-HNNXBMFYSA-N 357.413 4.707 0 1 FJAF CN1CCC(=C2c3ccccc3C3=C(c4ccccc42)[C@H]2CC[C@H]3O2)CC1 169321203 LEIPUBYZFQFWRJ-FGZHOGPDSA-N 355.481 5.000 0 1 FJAF O=C(O)c1cc(Br)cc2[nH]c(-c3ccc(C4CCC4)cc3)nc12 586879133 FGRPIOSUPPZILM-UHFFFAOYSA-N 371.234 4.958 0 1 FJAF Oc1ccccc1C1(c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)CC1 586896407 FAXFGUSSCWRYPQ-UHFFFAOYSA-N 368.742 4.900 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(CO)cc2[nH]1 587014198 IYRPTLZRFWCCEJ-UHFFFAOYSA-N 355.850 4.808 0 1 FJAF Cc1ccc2c3c(cc(C(C)(C)CCC(=O)O)nc13)-c1ccccc1C2=O 587101407 SRVJCCYNKXVJMJ-UHFFFAOYSA-N 359.425 4.897 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587101437 NEYZCHGCGWFASM-QGZVFWFLSA-N 371.436 4.580 0 1 FJAF CC(C)(C)OC(=O)NCc1ccccc1Cc1cnc2cccc3c2c1CC3 587214327 XRNDSCHJVOWBPC-UHFFFAOYSA-N 374.484 4.949 0 1 FJAF N[C@@H](Cc1nc2cccc(C(F)(F)F)c2[nH]1)c1cccc2ccccc12 587259725 ZQIPXNPPQKZOMX-INIZCTEOSA-N 355.363 4.977 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OCCC(C)C)cc1)[C@@H](C2)C3=O 587442230 PFZZWXZLWBPQBG-WMZHIEFXSA-N 366.457 4.783 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(COCC)c1)CC2=O 587480685 OWHXOCFNJBBEFL-NRFANRHFSA-N 370.445 4.596 0 1 FJAF Nc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587501372 ILXFTNCCEZHDTK-GOSISDBHSA-N 372.262 4.617 0 1 FJAF O=C1C[C@@H](c2cnn(C3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587516611 DKWCELLDTLQPRF-NRFANRHFSA-N 350.462 4.974 0 1 FJAF CC[C@@H](C)Sc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533418 SYRKDAAPKPLVPP-YJYMSZOUSA-N 368.502 4.953 0 1 FJAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587557582 NMINLRYURBWZIL-SIKLNZKXSA-N 364.372 4.717 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2[nH]1 587588541 LBRKXYQVODPIEW-UGKGYDQZSA-N 357.365 4.576 0 1 FJAF C[C@@]1(CCc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620376 YQWDMDJAJCUHGB-RXVVDRJESA-N 366.438 4.807 0 1 FJAF CCc1ccc2c(c1)CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587817179 JBHNLIGVLXLCBX-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587933109 KESCNSHSKBMUSH-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF CCCc1[nH]nc2c1[C@H](c1ccccc1)c1c(nc3c(c1N)CCCCC3)O2 1772622971 LAPLNXMWKVWQHW-SFHVURJKSA-N 374.488 4.894 0 1 FJAF C[C@@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1CCc1ccccc1 61905403 CVDJQVTUGIVFHN-IBGZPJMESA-N 363.288 4.639 0 3 FJAF CCCCc1c(-c2ccccc2OC)ncn1Cc1ccc(OC)cc1 198626858 DQHMRTNZJRZBRW-UHFFFAOYSA-N 350.462 4.958 0 3 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2)c1 6717876 ZAARMHXLYCHRAK-UHFFFAOYSA-N 357.413 4.549 0 1 FJAF Cc1ccc(-c2cccc3c(=O)cc(N4CCOCC4)oc23)c2ccccc12 13677200 RUOUCJVBGNHNOF-UHFFFAOYSA-N 371.436 4.758 0 1 FJAF CCCN(CCc1cccs1)[C@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741761 NATZFOMSDOBVCC-SFHVURJKSA-N 366.530 4.854 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C 26386024 MLZFGDUUCSXZHX-FHVMYUNFSA-N 371.565 4.857 0 1 FJAF CC(=O)c1cccc(Nc2sc3c(C)c(O)c4ccccc4c3[n+]2C)c1 27729456 ZRTQCOVPKCJCRS-UHFFFAOYSA-O 363.462 4.839 0 1 FJAF COc1ccc([C@@H]2Sc3ccc(OC)cc3-n3cccc3C2=O)cc1 29224098 APROWGSNPHVGDQ-FQEVSTJZSA-N 351.427 4.524 0 1 FJAF O=C(O[C@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 39233062 QQHZTLHIHVYNDQ-QGZVFWFLSA-N 361.228 4.788 0 1 FJAF Cc1cccc(-c2nc(N(C)CC(C)C)ncc2-c2nc(C)c(C)o2)c1 82173011 YVQIQHMGQFDENX-UHFFFAOYSA-N 350.466 4.816 0 1 FJAF Cc1cccc(F)c1CNc1ccc(-c2cc(C(F)(F)F)nn2C)cn1 149804553 YCLZESJJLPHDMB-UHFFFAOYSA-N 364.346 4.561 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@@H]1CCCN2CCCC[C@@H]12 169290756 LAGAODHREHSTBR-BBRMVZONSA-N 356.388 4.518 0 1 FJAF Cn1c(=O)c2ccc(-c3ccccc3)cc2n2nc(-c3cccc(F)c3)cc12 169350932 JCJJDLNDZJCANG-UHFFFAOYSA-N 369.399 4.659 0 1 FJAF O=C(Nc1cc(Cl)c(O)cc1O)C1(c2cccc3ccccc23)CCC1 473121700 QTZHNHKAXLXZBQ-UHFFFAOYSA-N 367.832 4.965 0 1 FJAF Cc1ccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c2c1 586921791 MTTUVGKRAIULLR-UHFFFAOYSA-N 362.454 4.512 0 1 FJAF Cc1cccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000605 IJKVMRNUJFBCGB-WAYWQWQTSA-N 371.234 4.575 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@@H]3Cc4ccccc4S3)nc12 587043606 SYDCVLBZYAIICJ-JTQLQIEISA-N 366.671 4.763 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587189448 CDLOVTJEWOOUJD-OAHLLOKOSA-N 372.856 4.568 0 1 FJAF Cc1ccc2c(ccc3nc([C@H]4CCC[C@H]4NC(=O)OC(C)(C)C)[nH]c32)n1 587233332 MHDLBCAWCKKSBA-LSDHHAIUSA-N 366.465 4.580 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(OC)ccc13)CC2=O 587487911 YSSWATQIOYUIEK-JOCHJYFZSA-N 365.429 4.715 0 1 FJAF Cn1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccccc21 587578034 PUDPAWJXZCJOAQ-NFBKMPQASA-N 371.392 4.587 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(Cc3ccccc3[C@H]2C)N1 587824018 SXIGMTGBNXMQMN-HNYWDRBLSA-N 360.270 4.678 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(-c3noc(C)n3)c2)N1 962950613 RWPBCEUYHBZLMB-OXJNMPFZSA-N 358.445 4.540 0 1 FJAF Cc1ccc2nc(-c3ccc4c(c3)OCCO4)c(NCc3ccccc3)n2c1 1772650309 YKRMUNCIEHOZAU-UHFFFAOYSA-N 371.440 4.693 0 1 FJAF CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2cnccc21 1857570967 JZUFJRIZPZQESW-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF FC(F)(F)Oc1ccc(-c2nc3cnc(Nc4ccccn4)cc3[nH]2)cc1 1857755619 SQTAJIDDAKMICK-UHFFFAOYSA-N 371.322 4.662 0 1 FJAF COC(=O)C(C)=CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356814548 CIOTYZFASUOYQU-ZENOOKHLSA-N 360.450 4.607 0 1 FJAF Oc1ccc(C(=C(Cn2ccnc2)c2ccccc2)c2ccc(O)cc2)cc1 2382216623 SVJCBEBQBNUOBF-UHFFFAOYSA-N 368.436 4.954 0 1 FJAF CCNc1ccc(Cc2c(C)cc(OCC(=O)O)cc2C)cc1C(C)C 2382261901 DXHYPIOBUKIKHV-UHFFFAOYSA-N 355.478 4.913 0 1 FJAF CC(=O)O[C@@H](C[C@@]1(C)[C@@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 6481224 DZAYTXGDCMMRGZ-UHWULVJNSA-N 372.461 4.590 0 1 FJAF in-man CCCN(CCCc1ccccc1)C1Cc2cc(OC)c(OC)cc2C1 13471442 HQRKZFCEXOHQII-UHFFFAOYSA-N 353.506 4.516 0 1 FJAF CC(=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 13651805 SUEPTDAMYWMEOU-IEOHHFJNSA-N 356.506 4.801 0 1 FJAF CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@H](c2ccccc2)[C@@H]1O 13672946 UOLPWQTZNSRMCK-FDFHNCONSA-N 372.530 4.553 0 1 FJAF COc1cc(CCCCCCCCC(=O)c2c(O)cccc2O)ccc1O 14585523 AOOWMCFNNAFZSU-UHFFFAOYSA-N 372.461 4.968 0 1 FJAF biogenic COc1ccc2[nH]c(C)c(Sc3cc(OC)c(OC)c(OC)c3)c2c1 28651331 IRBQYULRQYOVLE-UHFFFAOYSA-N 359.447 4.662 0 1 FJAF OC1(c2ccccc2)CCN([C@H](Cc2ccccc2)c2ccccc2)CC1 28708120 FEOIETAFCTYQIE-XMMPIXPASA-N 357.497 4.954 0 1 FJAF in-vivo CC(C)Cc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 43153513 SKIYSJMDYYSHLN-UHFFFAOYSA-N 363.457 4.815 0 1 FJAF COc1ccc2[nH]c3c(c2c1)CC(=O)N(Cc1ccccc1)c1ccccc1-3 45291658 SGEMKLMMAJBEMQ-UHFFFAOYSA-N 368.436 4.933 0 1 FJAF O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc(-c2cccc(F)c2)no1 71341050 IEVYVZRYCHDEKH-QGZVFWFLSA-N 357.429 4.510 0 1 FJAF CC(C)CC(=O)OC/C=C\CCNC(=O)/C=C/C=C/C=C/c1cccs1 96938616 UXKHBPOYZOPFIH-MKAYIHSVSA-N 373.518 4.526 0 1 FJAF O=P(O)(O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)O[C@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21 169338208 GXWYRSCTDVINTI-CUTMMRLSSA-N 366.438 4.769 0 1 FJAF CC[C@@H](c1nc(SC(C)C)[nH]c(=O)c1C)c1c(F)cccc1Cl 169352223 MSVSJGZEMZIISI-LLVKDONJSA-N 354.878 4.913 0 1 FJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@H](C)c4ccccc4)[C@@H]3C=C12 504699656 FYEXWWJAZZNSHA-OMKHTVFKSA-N 351.490 4.572 0 1 FJAF biogenic Cc1c(Br)cc2nc(-c3ccccc3/C=C\C(=O)O)[nH]c2c1C 586882290 MXOBEWCNBPPKQR-FPLPWBNLSA-N 371.234 4.707 0 1 FJAF Cc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2cc1Br 587017140 IPZDHFAKGUJIGC-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587069865 LJFCVVBRSVDIRB-JTQLQIEISA-N 371.765 4.659 0 1 FJAF Clc1cnn(COc2cccc(-c3nc4cccc(Cl)c4[nH]3)c2)c1 587082775 VUDUWWHWQJFOSQ-UHFFFAOYSA-N 359.216 4.770 0 1 FJAF Nc1ccnc2[nH]c([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159858 WKLKHWIVWGWTAW-QGZVFWFLSA-N 368.799 4.501 0 1 FJAF O=C(O)c1ccc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587205665 BLYDDIXGWNPPOZ-UHFFFAOYSA-N 367.360 4.517 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)c1 587233255 LCKBYEISGPDZFN-UHFFFAOYSA-N 357.413 4.710 0 1 FJAF CCCOc1c(C)cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587442225 PDQYFGNFRITEGV-VGSWGCGISA-N 352.430 4.590 0 1 FJAF CC[C@H](C)c1ccc(OC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443839 PXXUCGAXYSDLRL-UZWKXWHHSA-N 352.430 4.706 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccccc1C)[C@@H](C2)C3=O 587444732 GLBMEJMTYYAGGB-GBXCKJPGSA-N 356.421 4.695 0 1 FJAF CC[C@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446531 YQBKQNBUBOABBN-IUHXZHBMSA-N 352.474 4.808 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(SC(C)C)cc1)[C@@H](C2)C3=O 587451341 XHYFCGRWQJOZEU-LAUBAEHRSA-N 354.471 4.859 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603331 MDIXVDKHAABJOH-NFBKMPQASA-N 358.393 4.504 0 1 FJAF C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604766 YCLAENGQPCUYEE-NZQKXSOJSA-N 360.409 4.745 0 1 FJAF CCc1cccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587721190 PDRUOYSYDGCKES-MGNBDDOMSA-N 366.249 4.913 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC 587927036 QZEJBGUZYOLLGB-SECBINFHSA-N 366.248 4.628 0 1 FJAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C=C3CCC3)[nH]c2c1 587964567 CSOMNRAYKWIVFS-UHFFFAOYSA-N 373.865 4.584 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)C2=CC[C@H]1C3 2356432609 GQSQALRNJKGVPV-LRNCDZRASA-N 360.494 4.583 0 1 FJAF O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2ccnc3[nH]ccc23)C1 2382224227 LEDMFKVVMMVZFP-HNNXBMFYSA-N 365.502 4.523 0 1 FJAF COc1cccc(-c2c[nH]c([C@H](O)c3ccc(-c4ccccc4)cc3)n2)c1 61928645 JAFNJFXQULGTEZ-JOCHJYFZSA-N 356.425 4.834 0 3 FJAF Cc1csc(CNc2ncnc3ccc(-c4c(C)noc4C)cc23)c1 13816135 OAZQUTMJTTUDBQ-UHFFFAOYSA-N 350.447 4.884 0 1 FJAF Cc1ccccc1/C(=C/CCN1CCC=C(C(=O)O)C1)c1sccc1C 13827935 UYXBKGJUMDYSKV-JMIUGGIZSA-N 367.514 4.903 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1nccs1)CC2 25203658 PQVPKGFOQMPDCF-GDBMZVCRSA-N 372.534 4.928 0 1 FJAF biogenic CC(C)(C)NCCCOc1ccc2c(=O)c(-c3ccccc3)coc2c1 27106760 URQQGZPQEZDFDR-UHFFFAOYSA-N 351.446 4.617 0 1 FJAF CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1ccc(F)c(C)c1 27526748 HWGCCDJTUKJUCP-UHFFFAOYSA-N 371.452 4.623 0 1 FJAF CC(C)(C)[C@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1 28971989 MDGMYIGNKOEWMA-MRXNPFEDSA-N 356.857 4.614 0 1 FJAF O=C(CCc1ccccc1)c1ccccc1OCCCN1CCCCC1 40767021 VWIRIWQVMWVRCA-UHFFFAOYSA-N 351.490 4.757 0 1 FJAF CN(C)c1ccc(NC(=O)Nc2ccnc3c(C(F)(F)F)cccc23)cc1 71341819 AFTZTGOCCYQNTB-UHFFFAOYSA-N 374.366 4.964 0 1 FJAF CCCOCCCNc1ncc(-c2ncc(CC)s2)c(-c2ccco2)n1 82165266 UGWUAHQEDAUJGO-UHFFFAOYSA-N 372.494 4.651 0 1 FJAF CCCc1csc(NC(=O)c2cc(Cl)cc(Oc3cncnc3)c2)n1 96938936 HAUVOMIPSJIHDS-UHFFFAOYSA-N 374.853 4.584 0 1 FJAF O=C1[C@H]2[C@H]3CCCC[C@H]3c3c([nH]c4ccccc34)[C@@H]2C(=O)N1c1ccccc1 102979640 YQDIZAHKTNEAGG-QMKUDKLTSA-N 370.452 4.729 0 1 FJAF CC(C)CCn1c2c(c3ccccc31)CCn1c-2nc2ccccc2c1=O 149635662 VQJNSQJILRLLMG-UHFFFAOYSA-N 357.457 4.620 0 1 FJAF COc1cc(-c2nc3ccc(Br)c(C)c3[nH]2)cc(Cl)c1O 587046401 RQYZUCRENCQCBR-UHFFFAOYSA-N 367.630 4.668 0 1 FJAF CCc1cc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Cl 587052896 RXUUYARYIITUNS-UHFFFAOYSA-N 358.722 4.914 0 1 FJAF CCc1cc(OCc2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Cl 587052932 UPHYHLOXDUCCOK-UHFFFAOYSA-N 355.747 4.772 0 1 FJAF FC(F)(F)c1ncc2nc(/C=C/c3cccc(Cl)c3Cl)nc-2[nH]1 587053602 GGALODFQDVSAOG-SNAWJCMRSA-N 359.138 4.801 0 1 FJAF CC(C)[C@@H]1C[C@]2(CS1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587372544 JPRVUTHWYJPUQI-QKNQBKEWSA-N 372.461 4.791 0 1 FJAF O=C1C[C@@H](c2cnc(-c3cccnc3)s2)Oc2c1ccc1c2CCCC1 587534171 BHONERUDKLBWKM-SFHVURJKSA-N 362.454 4.790 0 1 FJAF Cc1c(F)ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587554811 JMSCDAQSQIDORQ-KNQAVFIVSA-N 364.372 4.851 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)ccc(F)c1F 587558382 RPYVYTUUJVDJHQ-OXJNMPFZSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCC2(CC1)CC2 587602963 KFYULLXZHZXIRR-RXVVDRJESA-N 350.414 4.693 0 1 FJAF COc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1C 587804065 AHBWBPVSCGYENP-BBATYDOGSA-N 364.258 4.529 0 1 FJAF CC(C)O[C@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813576 VNVPKWVKFYUJJS-DPZKZMLUSA-N 370.306 4.541 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2c(s1)CCCC2 587873368 ZYPRBJLVIIBSMQ-UHFFFAOYSA-N 370.449 4.717 0 1 FJAF CCOC(=O)C[C@@]1(c2ccccc2)NCCc2cccc(-c3ccccc3)c21 962668664 OOUCCEIEFNBEBI-VWLOTQADSA-N 371.480 4.696 0 1 FJAF NC1=C[C@]2(C[C@H](c3ccc(Cl)cc3)C1)NCCc1cccc(Cl)c12 963381168 QYFYDAGGGQJUTQ-QRWLVFNGSA-N 359.300 4.755 0 1 FJAF COc1cc(F)cc(COc2ccccc2-c2nc3cccnc3o2)c1 1772582309 BUEOASLHHNMRBP-UHFFFAOYSA-N 350.349 4.617 0 1 FJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1Cc2ccccc2O[C@@H]1O 2356307271 QSMNOZMIWMHZFD-WGGBDISSSA-N 371.521 4.534 0 1 FJAF Nc1ncc(-c2ccc(CCC(=O)O)cc2)cc1-c1ccc(Cl)cc1 2382253754 CPYBMXWQSDLGOO-UHFFFAOYSA-N 352.821 4.668 0 1 FJAF Clc1ccc([C@H](Cc2ccncc2)c2ccc3c(c2)OCCO3)cc1 13442080 QYKYNAOKCRIEAU-IBGZPJMESA-N 351.833 4.881 0 1 FJAF O=C(CCCN1[C@H]2CC[C@@H]1c1c([nH]c3ccc(F)cc13)C2)c1ccco1 13827338 HMWCSFUVGFNRSK-KBXCAEBGSA-N 352.409 4.625 0 1 FJAF COCc1cc(O)cc2c1O[C@H](c1ccc(O)cc1)[C@@H]1CC(F)(F)C[C@H]21 14972461 GPFRMIHXGMVMGF-KZNAEPCWSA-N 362.372 4.507 0 1 FJAF CC(C)(C)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)cnn2)cc1 14974035 LOYOSFWQVCSZAX-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF Cc1cc(C)cc(COC[C@@H](NC=O)C(c2ccccc2)c2ccccc2)c1 29554551 NUQVMEYMKHQGHQ-XMMPIXPASA-N 373.496 4.767 0 1 FJAF O=c1c2sc3nccc(NC4CC4)c3c2ccn1-c1ccc(Cl)cc1 35284017 VBZHSXFBAXRRKG-UHFFFAOYSA-N 367.861 4.828 0 1 FJAF CCOC(=O)c1c(Cc2ccc(F)cc2)[nH]c2c1cc(O)c1ccccc12 40410673 KRNFOZRWSABMSM-UHFFFAOYSA-N 363.388 4.933 0 1 FJAF O=C(N1CCC[C@@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 43016799 JSYLIEBKQBNGGC-JOCHJYFZSA-N 365.904 4.878 0 1 FJAF O=C(/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 66074396 NYSPLUVUHIKYHV-AWHUYLLYSA-N 353.462 4.724 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3cccc(Nc4ccccc4)c3)c12 96168344 ZCWMEQDXHZQMCY-UHFFFAOYSA-N 355.445 4.990 0 1 FJAF CC1(C)[C@@H]2CC=C(CN3CCCN(CC4=CC[C@H]5C[C@@H]4C5(C)C)CC3)[C@@H]1C2 101044573 BBGHXYBFTRQTBB-BJESRGMDSA-N 368.609 4.979 0 1 FJAF c1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCCCC2)cc1 103288085 XOGORRVTFIQINH-OFNKIYASSA-N 359.473 4.746 0 1 FJAF CCC(=O)[C@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314007 JVJYOCYVDQOIIM-XYFPEKJSSA-N 350.289 4.839 0 1 FJAF c1ccc(Oc2ccc(-c3cn(-c4noc5ccccc45)nn3)cc2)cc1 473117894 IZLYJCOHYZSWIA-UHFFFAOYSA-N 354.369 4.868 0 1 FJAF OCC12CCC(c3nc4cc(Br)cc(Cl)c4[nH]3)(CC1)CC2 586895264 CMTAZFPGQBXQCF-UHFFFAOYSA-N 369.690 4.563 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 586915086 AHDSWHWOXNOELK-IFXJQAMLSA-N 374.362 4.798 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc3ccccc3cc2[nH]1 586915943 JINABXROCQHELP-FDDCHVKYSA-N 356.425 4.933 0 1 FJAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3cc4c(cc3[nH]2)OCO4)c1 587095069 OWOGBSMTAWIGNP-UHFFFAOYSA-N 374.240 4.996 0 1 FJAF Cc1nc2[nH]c([C@@H]3C[C@H]3c3cccc(F)c3F)nc2cc1Br 587152361 MELYBRQDVFMOEZ-VHSXEESVSA-N 364.193 4.578 0 1 FJAF O=C(N[C@H](c1ccccc1)c1nc2cccc(Cl)c2[nH]1)c1ccccc1 587217301 BWYCXPBWRPNISU-GOSISDBHSA-N 361.832 4.736 0 1 FJAF Nc1ccc2oc(-c3nc4cc(Br)c(F)c(F)c4[nH]3)cc2c1 587252183 SJQSLUSTHBDFCI-UHFFFAOYSA-N 364.149 4.599 0 1 FJAF CC(=O)c1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587414634 WPCNJSWLKMFTNU-NRFANRHFSA-N 361.397 4.746 0 1 FJAF O=C1C[C@@H](c2coc3ccc(F)cc3c2=O)Oc2c1ccc1c2CCCC1 587506535 KQVHPIKIVKWOEX-FQEVSTJZSA-N 364.372 4.517 0 1 FJAF CC(=O)Oc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587522517 IOKKHFUBWCHBDV-NRFANRHFSA-N 364.441 4.814 0 1 FJAF CC(=O)CCCCCCCCCCCc1cc2c(O)nc(O)nc2nc1C 587562138 ZNMMEPFHWRVQHU-UHFFFAOYSA-N 373.497 4.777 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1C 587602043 IJDMQLKVRDSKQK-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF Cc1cc(C)cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602048 IKSIUGYNTHRLKC-OFNKIYASSA-N 360.409 4.886 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)s1 587615022 UYKPTUQTDOVION-QAPCUYQASA-N 358.802 4.810 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccccc2F)N1 587726339 IMHYQPWKDXJANQ-ZMZPIMSZSA-N 366.249 4.935 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3n2C)N1 587755606 HYVPPYZCKFDXGA-NSPYISDASA-N 373.269 4.704 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1O 587819812 BNLCRWYWBPPHEC-BBATYDOGSA-N 364.258 4.534 0 1 FJAF CC(=O)NCCc1cccc2ccc(OCCCCc3ccccc3)cc12 653782631 YZCIUQSYLZZLAM-UHFFFAOYSA-N 361.485 4.920 0 1 FJAF Cn1c([C@H](OC(C)(C)C)C(=O)O)c(Cc2ccccc2)c2ccccc21 1857560617 AEUYRRAQBDMMAH-FQEVSTJZSA-N 351.446 4.710 0 1 FJAF COC(C=CC(=O)O)=CC(C)=C[C@H]1CCCc2oc3ccc(O)cc3c21 2356395169 LWPQRRAIIWETLD-CQSZACIVSA-N 354.402 4.676 0 1 FJAF O=C1Sc2ccc(Br)cc2C(=O)Sc2ccccc21 1656608 XLMPZVYVMNTYLL-UHFFFAOYSA-N 351.246 4.628 0 1 FJAF CN(C)Cc1ccccc1-c1nc(N(C)Cc2ccco2)c2ccccc2n1 4268374 OVJDNWJWIBKTRG-UHFFFAOYSA-N 372.472 4.588 0 1 FJAF CCc1nc2c(-c3ccc(OC)cc3C)ncnc2n1C(C1CC1)C1CC1 26730302 XOFUTMMEIRJUDZ-UHFFFAOYSA-N 362.477 4.734 0 1 FJAF Cn1nccc1C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 27073344 VHPGMNFYRNXNDD-PEOWNTLRSA-N 352.522 4.737 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CCC[C@H]2Cc2ccccc2)c1Cl 40404254 NNEBWQCEZXSTPA-KRWDZBQOSA-N 364.880 4.712 0 1 FJAF Cc1nc(-c2ccccc2)sc1[C@@H]1SCC(=O)N1c1ccccc1 95564303 BACZWZIILFKBAV-IBGZPJMESA-N 352.484 4.897 0 1 FJAF CC(C)(C)c1cc2cc[nH]c2cc1NC(=O)c1c[nH]c2ccccc2c1=O 113732795 QPRWKGNEIQULEK-UHFFFAOYSA-N 359.429 4.559 0 1 FJAF COc1ccc(CNc2nc(NCc3ccccc3)nc3ccccc23)cc1 118448410 LYFOVMFNRALCKL-UHFFFAOYSA-N 370.456 4.863 0 1 FJAF CCCCN(CC)c1cc(C)nc2c1NC(=O)CN2c1ccc(C)cc1C 143454622 VQWFJCHKPPMPFF-UHFFFAOYSA-N 366.509 4.723 0 1 FJAF COc1ccc2c(c1)cc(-c1cccc(F)c1)n2Cc1ccc(C(=O)O)o1 169701314 QKUJAACEYCIDRJ-UHFFFAOYSA-N 365.360 4.796 0 1 FJAF O[C@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586900432 CBNMLFKWGFOZBW-HZMBPMFUSA-N 368.742 4.684 0 1 FJAF O[C@@H]1C[C@H](c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc21 586901266 GLZMTFJIIJZTIJ-SMDDNHRTSA-N 363.642 4.548 0 1 FJAF O=C1O/C(=C/c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc21 586906544 NRGDWTJMYHAKTC-FYJGNVAPSA-N 368.392 4.810 0 1 FJAF COc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2n1 587041202 XENBSDJUNYQINT-UHFFFAOYSA-N 374.469 4.812 0 1 FJAF Cc1ccc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2c1C 587082887 YGTSEDZCJSPLCH-UHFFFAOYSA-N 352.825 4.733 0 1 FJAF COc1cnccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096681 JMMUFPKHLXJJSH-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF CCc1ccccc1-n1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431422 OMOLWNDUFRXJAR-WZONZLPQSA-N 359.425 4.537 0 1 FJAF COc1cc2c3c(c1)OC(Cc1ccccc1)(Cc1ccccc1)[C@@H](C2)C3=O 587446392 WGJAFUKNCSFDJI-NRFANRHFSA-N 370.448 4.667 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cccc1N(C)C)CC2=O 587462101 WEWYDCKUSXCFPG-SFHVURJKSA-N 359.853 4.771 0 1 FJAF O=C1C[C@H](c2ccc(O)cc2C(F)(F)F)Oc2c1ccc1c2CCCC1 587509965 UTZOZYNGBVUSDL-GOSISDBHSA-N 362.347 4.996 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cccc(F)c1F 587656386 ZEDVXALLPRRNSD-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2F)N1 587716725 JTAATTWHRPXKPP-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CC2)N1 587815449 NARVBDREJYKCJP-BUXKBTBVSA-N 360.270 4.776 0 1 FJAF CCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850542 ZSSVMFJZMJBHRK-JDNHERCYSA-N 354.288 4.836 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2c(F)cnc(Br)c2[nH]1 587952412 QJEAZGSNQQYQCX-UMNHJUIQSA-N 370.266 4.906 0 1 FJAF FC(F)(F)Oc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Br 587967016 KCCKSORWWQRCAC-DJLDLDEBSA-N 373.172 4.904 0 1 FJAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)C[C@H]1CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@H]4C 2356468841 SBZSORFWYJGMHS-GQTFRJSKSA-N 371.565 4.645 0 1 FJAF CC1=C[C@@H]2C(C)(C)CC(=O)[C@@]2(C)[C@H](COc2ccc3ccc(=O)oc3c2)C1 2356760152 FUBRDSMBDLGQMF-QUZZAMIASA-N 366.457 4.760 0 1 FJAF c1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1 4266736 YNTITAOCSQPPEA-UHFFFAOYSA-N 355.397 4.638 0 1 FJAF CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc21 26273337 FYIHXEFHXYJYLA-UHFFFAOYSA-N 374.444 4.546 0 1 FJAF COC(=O)Nc1cc(C(=O)c2cccnc2)cc(-c2cccc3[nH]ccc23)c1 34602491 NOCQWBRFOGBNRI-UHFFFAOYSA-N 371.396 4.639 0 1 FJAF O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)[C@H]1Cc2ccccc2N1 64274896 DHTULIWUCGHTSR-CQSZACIVSA-N 374.284 4.700 0 1 FJAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(-c2ccnc3nc[nH]c23)cc1 73278937 GRHDAFPDCKOVQF-UHFFFAOYSA-N 363.808 4.922 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)C2 586884834 JJPWALHYGWTZGD-GUBZILKMSA-N 365.658 4.618 0 1 FJAF Fc1cc(Br)cc2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885285 LVPHTTQSEWWNCI-UGSOOPFHSA-N 357.226 4.836 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(OC)c(Cl)cc3[nH]2)s1 587014245 JWOIFQMGDMEFSR-VIFPVBQESA-N 351.859 4.754 0 1 FJAF COc1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c(C(F)(F)F)c1 587098035 PBOVCLGFZPIXLF-UHFFFAOYSA-N 372.249 4.579 0 1 FJAF Fc1ccc(/C=C\c2nc3cc(Br)cc(F)c3[nH]2)c(F)c1 587149697 QAQDCNXRPKKONS-RQOWECAXSA-N 353.141 4.913 0 1 FJAF N[C@H](c1nc2ccc(Oc3ccccc3)cc2[nH]1)c1ccc(F)cc1F 587151063 PSXGLKUOQPKRMW-IBGZPJMESA-N 351.356 4.682 0 1 FJAF COc1cccc(-c2c(C)c(Cn3cncn3)nc3c2oc2ccccc23)c1 587362869 JCEZDPNBZUUWHH-UHFFFAOYSA-N 370.412 4.605 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)cc1C(F)(F)F)O2 587381409 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C=C=CS(=O)(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 28015702 HRSXVEFTZAQPAV-LXIBVNSESA-N 374.546 4.600 0 1 FJAF CCN(CC)CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@H]1C 28770243 VWUDFTACGOEWGV-QGZVFWFLSA-N 363.505 4.520 0 1 FJAF Cc1[nH]c(C)c(C(=O)OC2CCN(CCCCc3ccccc3)CC2)c1C 29327441 LGRRCWBWLKYUBM-UHFFFAOYSA-N 368.521 4.584 0 1 FJAF C[C@@]12C[C@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1 100033473 CBJSRNNINRMSKX-VGSWGCGISA-N 374.396 4.602 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1 142603553 GNWUQSYSXSFSCN-NSHDSACASA-N 363.244 4.558 0 1 FJAF Cc1ccc(/C(=C\CN2CCCC2)c2cccc(Br)n2)cc1 205902027 XLUPBKZOMOZQCH-GZTJUZNOSA-N 357.295 4.680 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5nc(O)[nH]c5cc4[nH]3)c2)cc1 586881562 XZDRVKMWBOPIPY-UHFFFAOYSA-N 368.396 4.681 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(CCO)cc2[nH]1 587014765 PZZWTKQPTXYATM-UHFFFAOYSA-N 369.877 4.850 0 1 FJAF O=C1Nc2cc(Cl)ccc2S[C@@H]1Cc1nc2cccc(Cl)c2[nH]1 587042504 LEIBHPLVGNXVLJ-CYBMUJFWSA-N 364.257 4.525 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3cc(C)cc(F)c3[nH]2)[C@@H]1c1ccccc1Cl 587062492 WGHQQJUJLWVTCP-YJYMSZOUSA-N 371.843 4.741 0 1 FJAF CCc1ccccc1NC(=O)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587241191 QIHWNSRWBFAKLI-UHFFFAOYSA-N 351.303 4.536 0 1 FJAF CC[C@]1(/C(C)=C/OC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587353678 RQYNKIMCDOTDJW-JAIUKNDESA-N 356.393 4.589 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(F)c3n1)CC2=O 587470158 DTPPAIXNZUZSIL-LJQANCHMSA-N 351.377 4.739 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2c(N)cccc21 587473488 WBHFIVNTESUGFS-DEOSSOPVSA-N 371.436 4.816 0 1 FJAF C[C@]1(c2c(Cl)nc3ccccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587500538 PSNGSFAKSJWOOZ-OAQYLSRUSA-N 366.848 4.747 0 1 FJAF COc1cc2c(cc1[C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)O[C@H](C)C2 587536249 STLYGOILQOYJEB-MCMMXHMISA-N 364.441 4.604 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1C1CCC(F)(F)CC1 587552513 AHMRQPNOLIVJBT-LPHOPBHVSA-N 360.356 4.548 0 1 FJAF CCCCC[C@H]1CC[C@H]([C@@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587561372 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29399103 CAKCSRYUEXZENU-UHFFFAOYSA-N 355.445 4.998 0 1 FJAF CCN(CC)CCC[C@@H](C)Nc1cc(C(F)(F)F)nc2c1CCCC2 29560565 PWHOMYJTIOOKRU-CQSZACIVSA-N 357.464 4.902 0 1 FJAF Cc1cc(C)c2nc(C3(c4ccc(Cl)cc4)CC3)c(O)c(C(=O)O)c2c1 58568636 UJSGGWGSBUIARQ-UHFFFAOYSA-N 367.832 4.989 0 1 FJAF CCCc1ccc2[nH]cc/c(=N\C(=O)Nc3cccc(C(F)(F)F)n3)c2c1 63540319 CJJKTILOCMYOOH-UHFFFAOYSA-N 374.366 4.667 0 1 FJAF CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(CC)CC1)=N2 100764016 AOCFSQZCKHYCDU-UHFFFAOYSA-N 373.544 4.946 0 1 FJAF COc1ccc(-c2nc(Nc3ccccc3O)c3ccccc3n2)cc1OC 103256174 UGFSAKTXTJEOGB-UHFFFAOYSA-N 373.412 4.763 0 1 FJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586990800 FKMGBAXKPYPZKW-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF Cc1cc2nc(C[C@H]3OCCc4ccsc43)[nH]c2cc1Br 587036847 OFYATQQGDUPXAT-CQSZACIVSA-N 363.280 4.552 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCc2c1nc1cccc3c1c2CC3 587211854 ITUZMOPXCSVOHY-IEBWSBKVSA-N 364.489 4.763 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421705 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COc1cc2c3c(c1)O[C@H](c1ccn(-c4c(C)cccc4C)c1)[C@@H](C2)C3=O 587431270 NKGLUSWTXNJZHA-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCN3C(C)C)CC2=O 587475096 LTLJIWHYTBVUHX-JOCHJYFZSA-N 365.473 4.822 0 1 FJAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587526641 YWONNCFOJOWAQH-FHWLQOOXSA-N 370.489 4.513 0 1 FJAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604021 QOBOPKIQJOSIHE-DVZBENKUSA-N 364.441 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3occc3c2)N1 587833155 MBJOBAVPHVYPNC-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF COc1ccc(C(F)(F)F)cc1[C@]1(C)NCCc2c1sc(C)c2C 963021418 JBEWOPQUPPFOGT-KRWDZBQOSA-N 355.425 4.802 0 1 FJAF O=C1COc2ccc(-c3ccc(O)cc3)cc2N1c1ccc(Cl)cc1 1857593314 ZHNNFUVCZSSQLH-UHFFFAOYSA-N 351.789 4.770 0 1 FJAF Clc1ccc(C[N@@]2C[C@H]2COc2cccc3cnccc23)c(Cl)c1 1857742797 FAXVDFJZIAPIMJ-HJPURHCSSA-N 359.256 4.805 0 1 FJAF Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4cccnc4)c12)CCC3 755424 GXZMENBQDDYLBE-UHFFFAOYSA-N 371.465 4.660 0 1 FJAF O=C(Cc1ccncc1)N1CCC(=C(c2ccccc2)c2ccccc2)CC1 13775749 RDYPVCUUOHBFRJ-UHFFFAOYSA-N 368.480 4.749 0 1 FJAF COc1cc(-c2ccccc2)nc(Nc2ccc(-c3cnco3)c(OC)c2)n1 13860206 BAYFCNHVRYMODQ-UHFFFAOYSA-N 374.400 4.559 0 1 FJAF Clc1ccc(OCCN2[C@H]3CC[C@@H]2Cc2[nH]c4ccccc4c23)cc1 13861321 YZLWLOOEGMGHIW-QRWLVFNGSA-N 352.865 4.962 0 1 FJAF CCCCCc1ccc(/C=C/C(=O)Nc2ccccc2CC(=O)O)cc1 28007965 BIDJJLWLAREHSX-CCEZHUSRSA-N 351.446 4.698 0 1 FJAF CSc1sc(C(=N)N)cc1-c1nc(-c2cccnc2Cl)cs1 28770939 GARVNVZOSLSGOA-UHFFFAOYSA-N 366.924 4.593 0 1 FJAF COc1ccc(C)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 34281897 JAFQOOQMLMCNTN-UHFFFAOYSA-N 360.339 4.618 0 1 FJAF CC1CCN(c2nccc(NC(c3ccccc3)c3ccccc3)n2)CC1 72123235 MPKJUPMKOWVRJN-UHFFFAOYSA-N 358.489 4.914 0 1 FJAF CN(C(=O)c1ccccc1)c1ccc(Cl)c(-c2nc3ncccc3o2)c1 96914412 UHAPOLJINBDVKQ-UHFFFAOYSA-N 363.804 4.820 0 1 FJAF C[C@@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1 114384381 CRRFNIPBMBTDTD-SGAUDOEVSA-N 373.544 4.929 0 1 FJAF COc1cccc(-c2cccnc2C2CN(c3ccc4ccccc4n3)C2)c1 169166128 BRLSAPKNJAWFCU-UHFFFAOYSA-N 367.452 4.909 0 1 FJAF CCCCN1C(=O)c2ccccc2Oc2cc(C(=O)N(CC)CC)ccc21 169328413 SAXCUGCLAQIUQH-UHFFFAOYSA-N 366.461 4.721 0 1 FJAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1O)/C=C/2 169360157 BZZGXVKXJIAYSN-BQYQJAHWSA-N 370.445 4.911 0 1 FJAF C[C@H]1C[C@H](C)CN([C@@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)C1 195388043 KJJLZXFTIQHXNU-PNLZDCPESA-N 368.521 4.901 0 1 FJAF O=C(CNCc1ccc(-c2ccccc2)cc1)N[C@H]1CCCc2ccccc21 200150337 RQSIMUZBXFSTPV-DEOSSOPVSA-N 370.496 4.637 0 1 FJAF Cc1c(Oc2cccc(F)c2)c(OC(C)C)nn1-c1ccc(C2CC2)nn1 474609353 PZXNDOOEUHRJRX-UHFFFAOYSA-N 368.412 4.567 0 1 FJAF Cc1nn(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)c(C)c1Cl 587065277 NGKMRTXQSIDSQE-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(=O)Nc3ccccc3)cc1)O2 587389523 KZABAJGDXULUMU-NRFANRHFSA-N 372.424 4.536 0 1 FJAF COc1ccc(C[C@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587504246 ICSWCUZPBQMTBZ-RCDICMHDSA-N 368.448 4.926 0 1 FJAF Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587559104 VYHQMYXLSGUTOA-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF C[C@@H]1c2ccccc2CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602483 IBFRANWSLYZHEF-YFMCZXFPSA-N 372.420 4.843 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3ccccc23)N1 587775809 ADOIJBFCBQINDL-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCOc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800344 FTIJJDSVHWSRBL-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF C[C@@]1(c2cnn(-c3ccccc3)c2)NCCc2cc(-c3ccccc3)ccc21 962663648 HCUCBKDSYLPHFV-VWLOTQADSA-N 365.480 4.949 0 1 FJAF FC(F)(F)c1ccc(N=c2nc(-c3ccncc3)[nH]c3ccccc23)cc1 1772601708 UBYIPTXVDYYVRH-UHFFFAOYSA-N 366.346 4.876 0 1 FJAF O=C(C[C@H](C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccccc1 6578559 YEYXIEALHBBHLC-INIZCTEOSA-N 364.422 4.716 0 1 FJAF CCCc1cc(=O)oc2c(CC=C(C)C)c(O)c(C(=O)[C@H](C)CC)c(O)c12 14586022 PQMOXTJVIYEOQL-CYBMUJFWSA-N 372.461 4.894 0 1 FJAF endogenous,in-man C[C@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O 14610982 IQOBRUHFIHSLSL-VJANTYMQSA-N 370.530 4.701 0 1 FJAF biogenic O=C(CCc1ccc(OCc2ccccc2)cc1)c1nc2ncccc2o1 14979952 HEIXLGZCGUTTNY-UHFFFAOYSA-N 358.397 4.617 0 1 FJAF c1ccc(CCN2CCN3C[C@@H](c4ccccc4)c4ccccc4[C@@H]3C2)cc1 25965938 ZTNUFLBDJULOLU-UIOOFZCWSA-N 368.524 4.734 0 1 FJAF CCCn1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)OC)c1 26660892 GXAPZYDQAFQBJS-UHFFFAOYSA-N 363.483 4.688 0 1 FJAF CCCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 82146117 QBRXZHFXPZPBBM-UHFFFAOYSA-N 366.509 4.536 0 1 FJAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C\c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921418 MQZCTSZOSLGBFX-DIQJQJTASA-N 361.485 4.596 0 1 FJAF Cc1ccc(COc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1 103201400 HZJUTDSLLJUNAE-UHFFFAOYSA-N 367.470 4.683 0 1 FJAF CC(C)C[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 135957567 UIXOARAAEKCNHD-FQELHTAISA-N 372.468 4.975 0 1 FJAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(C)s4)oc3c2)[C@@H]1C 168918769 FTQSASXLAVPZRW-TZMCWYRMSA-N 367.474 4.751 0 1 FJAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 169351145 CBNNPWOODQAMIN-IUBXVRBNSA-N 371.527 4.516 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc(C(C)C)c(OC)c3C(=O)C[C@H]21 199222138 LJDMLPGGURIRCM-ZPMCFJSWSA-N 358.478 4.642 0 1 FJAF Cc1cc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2cc1C 586999257 WXRUOLFULOTQEC-ONEGZZNKSA-N 371.234 4.841 0 1 FJAF COC(=O)[C@H](c1nc2cccc3c2c(c1C)-c1ccccc1C3=O)C(C)C 587106302 KXXDMCKQOPTEGJ-SFHVURJKSA-N 359.425 4.667 0 1 FJAF Brc1ccc2c(c1)-c1nc3cccc4c3c(c1CCO2)CC4 587208615 WERIUFUGEPQQDN-UHFFFAOYSA-N 352.231 4.698 0 1 FJAF CCc1ccc2nc(Cc3cccc(-c4cccc(C(=O)NC)c4)c3)[nH]c2c1 587233745 ABXYNXVMCDJQAE-UHFFFAOYSA-N 369.468 4.743 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587238023 ADQRLPRJAPIGPQ-UHFFFAOYSA-N 366.368 4.641 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cscc1Cl 587619595 TWFLHYOVLAYYQQ-CRAIPNDOSA-N 358.802 4.810 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)cc3)[nH]c12 587637875 GEYDMPFJSKZWGT-UHFFFAOYSA-N 367.710 4.932 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(F)cc2F)N1 587726192 VYEFXNUYJIZOIV-RFAUZJTJSA-N 370.212 4.684 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccc3[nH]2)N1 587806132 VAAJAIRIBUOGSJ-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3occc3c2)N1 587835329 VLEFXWAUWQRXCO-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF CSC[C@@]1(C(C)(C)C)N[C@H](C)Cc2cc(Br)c(F)cc21 587845125 MXTPEPBFJMGQFR-QLJPJBMISA-N 360.336 4.727 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2C2CC2)N1 587852362 FWNAYTJNYFQLNL-ANRSDYALSA-N 367.287 4.546 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2ccc(Br)cc2[nH]1 587935368 UCLQXKUDJLOHJH-UHFFFAOYSA-N 369.262 4.906 0 1 FJAF COc1cccc(-c2ccc([C@H](OC3CN(C#N)C3)c3ccccc3)cc2)c1 1911571154 SGFMJKFESZEQMF-XMMPIXPASA-N 370.452 4.633 0 1 FJAF CCC(=O)N(c1c(C)cccc1C)C1CCN(CCc2ccccc2)CC1 27868047 BEGGRFVHAVDBSM-UHFFFAOYSA-N 364.533 4.754 0 1 FJAF CC(C)c1csc(-c2nnc3n2N[C@H](c2ccccc2Cl)S3)n1 64437168 ORVIHLIWJCUEAW-ZDUSSCGKSA-N 363.899 4.526 0 1 FJAF C[C@@H]1O[C@@H](OCCCc2c(-c3ccccc3)oc3ccccc23)CC[C@@H]1N 66123252 JGLVDODUOBEEGX-XUEUYAKLSA-N 365.473 4.901 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCc3ccc(F)cc3)ncnc21 82186057 XSYCDDPHBNCOOV-CYBMUJFWSA-N 353.445 4.501 0 1 FJAF CCN1CCC(c2ccccc2)=C(C(=O)OCCc2ccc(Cl)cc2)C1 95593149 TWMKVARMUAJVEO-UHFFFAOYSA-N 369.892 4.605 0 1 FJAF CCOC(=O)Nc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103243511 PIXFHZMLXYDYIV-UHFFFAOYSA-N 373.792 4.594 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169370077 LKCRMGJZGXVDFH-OSXMFQAASA-N 357.538 4.515 0 1 FJAF O=C1NC[C@H](c2ccc(-c3ccccc3)c(F)c2)N1c1ccc2nc[nH]c2c1 198379089 PEOVDLCMKHZGFJ-OAQYLSRUSA-N 372.403 4.640 0 1 FJAF O=C1C(=O)[C@H]([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 261176362 UYFLKEIEOREOFC-ZXYWRSMDSA-N 366.844 4.878 0 1 FJAF CC(C)Cc1ccc(-c2[nH]c3nc(N)nc(O)c3c2-c2ccccc2)cc1 299823993 AGEZMOQTXXDZST-UHFFFAOYSA-N 358.445 4.778 0 1 FJAF N[C@@H](Cc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)no1 299854023 SZUQBQKJWHTPKM-FQEVSTJZSA-N 357.413 4.771 0 1 FJAF CSc1cccc(N[C@@H]2N=C3C=CC(Br)=C[C@H]3S2)c1 473083583 BYMFATCWKOKSAI-ZIAGYGMSSA-N 353.310 4.509 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586884718 AJTZVMHXMKIHPU-BDJLRTHQSA-N 350.340 4.607 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1c(F)cccc1C3 586989122 XTJANLJMHAPNGP-UHFFFAOYSA-N 353.352 4.862 0 1 FJAF Cc1nc2[nH]c(-c3cc(Cl)nc4ccccc34)nc2cc1Br 587085339 PJOJDLQPFRINHU-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF CC(C)Oc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587149673 PIHRXVVUALFJIO-UHFFFAOYSA-N 368.387 4.696 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@]12CCc1nc3cccc4c3c(c1C2)CC4 587213341 VOSRKBKECILYDU-QHCPKHFHSA-N 364.489 4.592 0 1 FJAF CC[C@@]1(c2ccc(Br)c(C)c2)CC(=O)c2cc(C)cc(N)c2O1 587377961 QWNHGZPLXITOFR-IBGZPJMESA-N 374.278 4.919 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587443278 NHYQXRCKLVRIBR-GBXCKJPGSA-N 372.420 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)ncc1Cl)CC2=O 587460237 HLTPKXMLOVWGIX-HNNXBMFYSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C(F)(F)F)s1)CC2=O 587464548 SLWFJUFFQWVIJI-LBPRGKRZSA-N 357.353 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc3ccc(F)cc13)CC2=O 587469551 AJMJNNQCDXPPQU-HXUWFJFHSA-N 351.377 4.739 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccccc1Cl 587545529 GYOXLMYNLTUMPW-RTBURBONSA-N 366.800 4.619 0 1 FJAF CCc1cccc(F)c1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587721194 PDRUOYSYDGCKES-XTZNXHDOSA-N 366.249 4.913 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2F)N1 587721931 WZKNRFDTALRTSS-HYORBCNSSA-N 374.175 4.629 0 1 FJAF CC(C)n1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587753060 HNIITBAARDUTGQ-DIFFPNOSSA-N 351.263 4.594 0 1 FJAF CC[C@@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587849293 SCJJWEHASRTOPK-QLJPJBMISA-N 354.288 4.838 0 1 FJAF Cc1sc2c(c1C)CCN[C@@H]2c1cc2c(C(F)(F)F)nn(C)c2s1 963004101 AGWUXYSZZMAEHZ-GFCCVEGCSA-N 371.453 4.567 0 1 FJAF CCOc1cc(OCC)cc([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963092933 BBUIGALFORFZFY-XXBNENTESA-N 369.480 4.907 0 1 FJAF Oc1ccc2c(c1)[C@H](C1=CSC(=C3SC=CS3)S1)NCC2 963329804 URPKVCJAAJYIFJ-CYBMUJFWSA-N 351.543 4.978 0 1 FJAF CC(C)c1ccc(N(CCN)C(=O)c2ccc(Cl)cc2Cl)cc1 1772575325 SOXUSKIKVPHAIS-UHFFFAOYSA-N 351.277 4.722 0 1 FJAF COc1cccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)c1 1772580483 KTKAFNOPQWZJSA-GOEBONIOSA-N 365.256 4.576 0 1 FJAF O=C(COc1ccc(-c2cc[nH]n2)cc1)Nc1ccc(-c2ccccc2)cc1 1772653987 NHLRIPNBBZMZFM-UHFFFAOYSA-N 369.424 4.761 0 1 FJAF CO[C@@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)[C@H](C)C(C)=O 2356656203 DYTYLMNUPWHHGQ-ABAIWWIYSA-N 350.509 4.643 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@@H]12 2356795763 MKVKXBDCGXCJJX-OONXWETESA-N 368.517 4.864 0 1 FJAF O=C1c2ccccc2CCC[C@H]1CCN1CCC(Oc2ccccc2)CC1 13488325 IPORBYPROLXTGM-FQEVSTJZSA-N 363.501 4.755 0 1 FJAF C[C@](O)(c1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1)C(F)(F)F 34853888 LZPTUQPRKHRPEL-IBGZPJMESA-N 369.427 4.641 0 1 FJAF [O-][n+]1ccc2c(-c3ccc(F)cc3F)ccnc2c1-c1ccccc1F 73160472 JPUMCKSXTCQYOX-UHFFFAOYSA-N 352.315 4.620 0 1 FJAF O=C(Cc1ccccc1)Nc1cc(COCc2ccc(Cl)cc2)ccn1 95590240 ZIUFJKYSFTVGRA-UHFFFAOYSA-N 366.848 4.633 0 1 FJAF O=C(CCCCOc1ccc(OCc2ccccc2)cc1)C(F)(F)F 115389543 BTPIBKQBDUOYSH-UHFFFAOYSA-N 352.352 4.946 0 1 FJAF Nc1nc(N)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]c2n1 299828271 MHWWAFTUHGLJNF-UHFFFAOYSA-N 370.243 4.763 0 1 FJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C3=CCCC3)[nH]c2c1 586883175 IKXKLWCCIOCRAX-UHFFFAOYSA-N 373.865 4.584 0 1 FJAF CC(C)(C)OC(=O)Nc1nc(Cc2nc3cccc(Cl)c3[nH]2)cs1 587019433 MUUXALJSIMLCAM-UHFFFAOYSA-N 364.858 4.611 0 1 FJAF Cc1cccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c12 587116114 OCVCTLMYXSLHAD-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@H](c1ccccc1)c1ccc(F)cc1)[C@@H](C2)C3=O 587428477 NGVGHYIYIJUDBI-LEEZEASISA-N 374.411 4.782 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(F)cc1Cl)CC2=O 587468034 WIGZVKQITVXVPV-KRWDZBQOSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1CCCOC)CC2=O 587477643 DLTBRUOCGWFXNP-OAQYLSRUSA-N 354.446 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(OC)ccc3o1)CC2=O 587484395 TYOXJUDHIPXEFN-FQEVSTJZSA-N 352.386 4.806 0 1 FJAF COC(=O)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587508500 RXGCJCXUXYJFIK-IBGZPJMESA-N 370.832 4.712 0 1 FJAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccs2)n1 587532430 QWIYAFULGZFDQU-SFHVURJKSA-N 364.470 4.734 0 1 FJAF O=C(O)c1[nH]c2ccc(F)c(Cl)c2c1-c1cnn(-c2ccccc2)c1 587631547 FKVYNSVZACZJHZ-UHFFFAOYSA-N 355.756 4.511 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818722 IZOONKPSPUWBJM-GYKZECTJSA-N 360.270 4.967 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2cc(C(F)(F)F)ncc2[nH]1 587927349 POPBCBOTNKLIGR-NSHDSACASA-N 365.355 4.536 0 1 FJAF Fc1ccccc1[C@H]1CC(c2ccc3c(c2)OCCO3)=NN1c1ccccc1 653899386 NTXLOJXBCYAVOE-OAQYLSRUSA-N 374.415 4.953 0 1 FJAF c1ccc([C@@]2([C@H]3CCOC3)c3ccsc3CCN2Cc2ccco2)cc1 962714548 ZUAXXKQYBKVNDE-PGRDOPGGSA-N 365.498 4.680 0 1 FJAF Cc1cc(C)c([C@@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(C)c1C=O 963102855 NQBYOAJFVJALKC-AUSIDOKSSA-N 351.465 4.847 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](F)c2cccc(F)c2)CC1 1857558992 PWYOWTVTNKWSTQ-OAQYLSRUSA-N 372.459 4.744 0 1 FJAF COc1ccc(C=CC(=O)O)cc1CC=C(CCC=C(C)C)COC(C)=O 2356461149 WSBFBHTWXLODOA-UHFFFAOYSA-N 372.461 4.571 0 1 FJAF Cc1cccc(NC(=O)CCC2CCN(C(=O)c3ccc(C)s3)CC2)c1 12597715 FOVKXVPDYJYMHT-UHFFFAOYSA-N 370.518 4.636 0 3 FJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2-c2ccccc2)O1 29482233 RBPAHNRDPAJTEZ-HUUCEWRRSA-N 365.256 4.660 0 1 FJAF COc1ccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)cc1 45374548 IYNFUTIKSUAVFC-UHFFFAOYSA-N 356.809 4.589 0 1 FJAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2)cc1 49053218 MUIUUGJVKFYPIF-UHFFFAOYSA-N 351.494 4.741 0 1 FJAF in-vivo Cc1nc(Cl)c(-c2c(F)cc(F)cc2F)n1-c1ccc(Cl)nc1 59203918 GDINQPXYIIZSIR-UHFFFAOYSA-N 358.150 4.967 0 1 FJAF Cc1ccsc1-c1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 64527260 BMBYOQAWGSKTKK-UHFFFAOYSA-N 368.483 4.670 0 1 FJAF CC[C@H](C)Cn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178416 RHDYTMFVGOTQPX-HNNXBMFYSA-N 361.449 4.745 0 1 FJAF Fc1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1Br 93729119 POTPYTGKPCEUGE-UHFFFAOYSA-N 357.129 4.733 0 1 FJAF CC(C)(C)c1ccc(C(=O)Nc2cn3cc(Br)ccc3n2)cc1 95561758 JQUBHAZSXQUISS-UHFFFAOYSA-N 372.266 4.647 0 1 FJAF O=C1NC(=O)/C(=C\c2cccc(OCC3CCCCC3)c2Cl)S1 115793964 GFIKVJZFVUEAIC-NTEUORMPSA-N 351.855 4.623 0 1 FJAF CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@H]4N)no2)cc1Cl 117393392 IHZXYNHGZXBBLC-QGZVFWFLSA-N 369.852 4.790 0 1 FJAF CN1C[C@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@@H]2CCCC[C@@H]21 169296535 DSUFLXVZHYLIGK-ISJGIBHGSA-N 373.496 4.925 0 1 FJAF CN1CC[C@H](c2ccc(-c3cc4c(C(=O)O)c[nH]c4cc3Cl)cc2)C1 216017246 IBZOAADXBDSJQX-AWEZNQCLSA-N 354.837 4.606 0 1 FJAF COc1cccc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccc(C)nc2)c1 218336802 HYEPOVXCPOLZRC-QFIPXVFZSA-N 371.440 4.916 0 1 FJAF Cc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2n1 587121772 KXWGWJRMHYIZCO-UHFFFAOYSA-N 358.323 4.689 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)C2)c1 587132006 ZSQVCUNTOYTPHE-UHFFFAOYSA-N 364.298 4.766 0 1 FJAF Fc1ccc(-c2cnn(Cc3nc4cccc(C(F)(F)F)c4[nH]3)c2)cc1 587165044 KPJIWMHUVIOYCV-UHFFFAOYSA-N 360.314 4.633 0 1 FJAF O=NCc1ccc(-c2nc3cnc(C(F)(F)C(F)(F)F)cc3[nH]2)cc1 587191172 VAOOSGMQOUDFQO-UHFFFAOYSA-N 356.254 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1ccc(Cl)cc31)O2 587380273 SJQLRYKVDUEUTM-NRFANRHFSA-N 366.848 4.909 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OCCc1ccccc1)O2 587397902 BXRJFSZSBJUALY-HSZRJFAPSA-N 373.452 4.905 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccccc1)(c1cccs1)[C@@H](C2)C3=O 587452018 PZIXQXHHVODFHT-HTAPYJJXSA-N 362.450 4.642 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(Cl)c1)CC2=O 587460486 GKVDLUDXXUFNDF-FQEVSTJZSA-N 360.837 4.887 0 1 FJAF COc1ccc2c(c1)cc([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)n2C 587514005 DCKUXNICAPZLKE-JOCHJYFZSA-N 361.441 4.772 0 1 FJAF O=C1C[C@@](c2ccccc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 587514631 INFNKWAXDSWIQI-XMMPIXPASA-N 355.437 4.869 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(F)cc2)N1 587731013 GQXDFDBCFDXOGA-QGHHPUGFSA-N 352.222 4.545 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2)N1 587737104 WNZXDFOFMUOSOA-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCC[C@@H]2NC(=O)OC(C)(C)C 963237751 ZJMUVIAPUYZJGM-GTCCEBARSA-N 358.526 4.616 0 1 FJAF CCCC[C@@]1([C@H]2CCOC(C)(C)C2)NCC(C)(C)c2ccc3c(c21)OCO3 963390541 KSBZFEBBGRQXLQ-HJPURHCSSA-N 373.537 4.887 0 1 FJAF Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@H]4C[C@@H]4C(=O)O)cc3)ccc12 1772587829 ZOCRWTIQNIUCSG-UXHICEINSA-N 369.424 4.584 0 1 FJAF Cc1ccc(Nc2cc(C)nc3nc(SCc4ccccc4)nn23)cc1 1772643361 QADLBNXQBKZXHR-UHFFFAOYSA-N 361.474 4.777 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 3791186 RDPJISLOFXUIDK-RLAPWRJVSA-N 357.538 4.515 0 1 FJAF Cn1ccc2cc3c(Nc4cccc(Br)c4)ncnc3cc21 3815073 QHAWLYRLLOXJAY-UHFFFAOYSA-N 353.223 4.628 0 1 FJAF COc1ccc(-n2c(/C=C/c3cccs3)nc3ccccc3c2=O)cc1 6846651 BQNWMHGTSDISMY-OUKQBFOZSA-N 360.438 4.626 0 1 FJAF Cc1ccsc1/C(=C\CCN1CCC=C(C(=O)O)C1)c1cccs1 13827960 JIBYHZMWODILRZ-SOFYXZRVSA-N 359.516 4.657 0 1 FJAF C[C@@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388132 SSFLLJHYNMDQDP-MVPFZXTPSA-N 357.538 4.770 0 1 FJAF c1csc(-c2nc3cc4c(cc3nc2-c2cccs2)OCCO4)c1 28475002 FDQIIJAQLFKSSK-UHFFFAOYSA-N 352.440 4.858 0 1 FJAF CN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2ccncc2)s1 39980877 AFURVMXSYQMNKI-UHFFFAOYSA-N 372.453 4.544 0 1 FJAF CCCCN(C)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(Cl)cc12 40862758 HIAIOVQLZRQQSF-UHFFFAOYSA-N 368.864 4.930 0 1 FJAF CC[C@H](C)Sc1nc([C@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 72112342 VTQLDBHBQZPZNO-CMPLNLGQSA-N 352.450 4.789 0 1 FJAF O=C(c1ccccc1)[C@H](c1c[nH]c2ccccc12)[C@H]1C(=O)Nc2ccccc21 73138674 OGXQPHQYRPCYJC-YADHBBJMSA-N 366.420 4.870 0 1 FJAF O[C@@H](COc1ccc(Cc2ccccc2)cc1)CSc1ccc(F)cc1 84689321 KHNQHSMEUKVRJF-FQEVSTJZSA-N 368.473 4.949 0 1 FJAF Cc1cc(NC(=O)CC(=O)O)c(C)c(C)c1Oc1ccc(O)c(C(C)C)c1 84728944 RKNMDWYQIVLKAB-UHFFFAOYSA-N 371.433 4.646 0 1 FJAF COC(=O)[C@@H]1N=C1/C=C/CCCCCCCCC/C=C\Br 238789184 HWTOGRCLPJNRKP-JXSANGFMSA-N 356.304 4.958 0 1 FJAF CC(C)c1cc(Cn2ccc3cc(OCC(=O)O)cc(Cl)c32)ccc1O 299858379 RBHIMHLGJJQJIH-UHFFFAOYSA-N 373.836 4.635 0 1 FJAF O[C@H]1C[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586904229 RZESHMKZFPLFKW-QUCCMNQESA-N 356.425 4.711 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)n1 587079170 HDZYNEJBABWVMI-MRVPVSSYSA-N 358.751 4.949 0 1 FJAF Fc1cc(CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc(F)c1F 587138569 LZFCMUCSQNUFAR-UHFFFAOYSA-N 360.257 4.664 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN([C@H](C)c3ccccc3)[C@@H](C)C1)O2 587400018 NLGYNZKPOLYDMG-MFEFFIJZSA-N 364.489 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)Oc3ccccc31)O2 587410855 GRZRUYMGOXFTAM-UPVQGACJSA-N 371.436 4.962 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(C)cc4nc1Cl)[C@@H](C2)C3=O 587422905 WALWUOLJYIYDIO-VBKZILBWSA-N 365.816 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cnn(C3CCCC3)c1)CC2=O 587477929 WDSFZQMCZCTDEH-OAQYLSRUSA-N 354.450 4.537 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(C)cc(C)cc31)CC2=O 587483501 FRFDYASVPVTENZ-QFIPXVFZSA-N 352.430 4.605 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCC(O)(c3ccccc3)CC1)CC2=O 587491012 TWFMANNENWCTJD-UHFFFAOYSA-N 366.457 4.511 0 1 FJAF O=C1C[C@@H](c2coc3cc(F)ccc3c2=O)Oc2c1ccc1c2CCCC1 587506621 KZWAORDYGDKDRS-FQEVSTJZSA-N 364.372 4.517 0 1 FJAF Cc1ccc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 587511534 HLCIUKQXLWSUBM-NRFANRHFSA-N 358.441 4.766 0 1 FJAF O=C1C[C@H](c2ccc(Cn3ccnc3)cc2)Oc2c1ccc1c2CCCC1 587515393 MAAKMCJVRCPJNN-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF CC1(c2ccccc2)CC2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587605020 WTFBDXVJCGTATD-QUVATAORSA-N 372.420 4.844 0 1 FJAF CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587611631 HGLJUWUSSSKDRR-NQIIRXRSSA-N 364.422 4.817 0 1 FJAF Fc1ccc2c(CN3CCOCC3)c(-c3ccc4ccccc4c3)[nH]c2c1 587636822 KCXVXUHPAKPBTH-UHFFFAOYSA-N 360.432 4.959 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccsc2)N1 587851156 BASWYXNAJSBEJO-MGPLVRAMSA-N 354.288 4.642 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1ccc(C)cc1 587870687 PHXSBNGYFWHLMD-HNNXBMFYSA-N 368.408 4.504 0 1 FJAF C[C@@H]1CCc2sc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)cc2C1 587875366 DJSLKLBIDMOOTP-SNVBAGLBSA-N 354.406 4.670 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3c(Cl)cccc3C2=O)cc1 653747381 AUUPSFFSNGOHPV-UHFFFAOYSA-N 366.804 4.654 0 1 FJAF COc1ccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)cc1 653857504 MDWADHPSBOTRTJ-GMKZXUHWSA-N 370.452 4.836 0 1 FJAF CC1=CC[C@H](COc2ccc3ccc(=O)oc3c2)[C@@]2(C)C(=O)CC(C)(C)[C@H]12 2356469667 WTQJTXGHXWJQCP-HNKPZJSLSA-N 366.457 4.760 0 1 FJAF CO[C@@H](CNC(=O)C=Cc1ccccc1)c1ccc(OCC=C(C)C)cc1 2356684176 MLCNANOYWKNAAF-QFIPXVFZSA-N 365.473 4.549 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](CCO)CC[C@H]32)C1 2356708151 GDPWXMPUUBHXOS-FCBRJNFKSA-N 362.554 4.959 0 1 FJAF C/C=C(\C)[C@@H]1C(C)=C[C@@H]2C[C@@H](OC(C)=O)C[C@H](C)[C@H]2[C@@H]1/C=C/C=C/C(=O)O 2382220380 YFHWZRPKJZWOLY-BKLBSCGSSA-N 372.505 4.936 0 1 FJAF CC(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 36387906 CLZMLBSPTYKTNM-MXRGUQQCSA-N 359.554 4.883 0 3 FJAF COc1cccc([C@@](C)(O)c2nc(-c3cnc4ccccc4c3)cs2)c1 61897740 HUBXCDRTKJLORW-OAQYLSRUSA-N 362.454 4.623 0 3 FJAF COc1ccc(OC)c(NC(=O)C2[C@@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 1059523 VHTCQRPKUANPBY-FJNAIYTKSA-N 355.478 4.971 0 1 FJAF Cc1c(Cl)cccc1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684679 HJQMMBXVBUXCGC-SFHVURJKSA-N 365.304 4.725 0 1 FJAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1-c1cccnc1 28528201 HBDCNILCSISVQF-ORVPSHMPSA-N 371.484 4.747 0 1 FJAF COc1ccc([C@@H]2[C@@H]3CC[C@H](C[C@H]2c2ccc(C)cc2)N3C)cc1OC 28638198 UBUINJQFQXKDNL-NVJIOZQYSA-N 351.490 4.746 0 1 FJAF CCCCCOc1c(Cl)cc(Cl)cc1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 29410423 QSIRJZYRKYCFTN-XEVLESSRSA-N 373.276 4.642 0 1 FJAF CCc1ccc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1 38444386 OOHWQLZGFMQGJB-UHFFFAOYSA-N 357.413 4.684 0 1 FJAF CCCCC(CCCC)N1N=C(C2=C[C@@H]3C=CC=C[C@H]3C=C2)OCC1=O 40414038 NBSKTVFQBIYZTC-ROUUACIJSA-N 354.494 4.762 0 1 FJAF Cc1ccc(-c2[nH]c(=S)[nH]c(=O)c2Cc2c(O)ccc3ccccc23)cc1 45506088 RBNXRHALCIDNNY-UHFFFAOYSA-N 374.465 4.858 0 1 FJAF Cc1cccc(CNCc2coc(-c3ccccc3Br)n2)c1 72101929 JWIPSABAWSLHCJ-UHFFFAOYSA-N 357.251 4.702 0 1 FJAF Cc1cnccc1-c1nc(C)c2c(C)nc3ccc(C(F)(F)F)cc3n12 73197287 HZQYJFKDDWTULI-UHFFFAOYSA-N 356.351 4.889 0 1 FJAF c1ccc2sc(C3(N4CCC5(CC4)OCCO5)CCCCC3)cc2c1 73405552 DYOKFEUPBZPICE-UHFFFAOYSA-N 357.519 4.900 0 1 FJAF O=C1Nc2ccccc2/C1=C\c1ccc2c(/C=C/c3cccnc3)n[nH]c2c1 96273702 CPIOXRCBBSICIO-SLUIUKIVSA-N 364.408 4.621 0 1 FJAF CSc1nc2n(n1)[C@H](c1ccccc1Cl)C1=C(O)CC(C)(C)CC1=N2 103539316 CCDZAVWXDZWZGN-OAHLLOKOSA-N 374.897 4.961 0 1 FJAF CC[C@@H]1OCCC[C@@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586908671 CORFVWIEDADUME-NHYWBVRUSA-N 367.287 4.785 0 1 FJAF Cc1c(Br)cc2nc([C@H](O)c3ccccc3Cl)[nH]c2c1C 587057648 CLUJVWYMFNVLBE-OAHLLOKOSA-N 365.658 4.677 0 1 FJAF Fc1cccc(-c2nc3cc(Br)ncc3[nH]2)c1C(F)(F)F 587098011 OGZJRUWCDAJKQT-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF COc1cccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c12 587121837 MXAVTPABHDJLSD-UHFFFAOYSA-N 373.334 4.994 0 1 FJAF COc1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587149433 SIKZDTQFYKYLMC-UHFFFAOYSA-N 358.722 4.974 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CCN(C)CC3)c1 587364564 WVCKUKHDAZZNOL-UHFFFAOYSA-N 358.441 4.687 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(OCCC(C)C)c1)[C@@H](C2)C3=O 587442534 QCUKXRAOGRGTNG-PGRDOPGGSA-N 352.430 4.609 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(Cl)cc31)CC2=O 587460826 IMBFMERZQQQUCO-HXUWFJFHSA-N 358.821 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cnc1Cl)CC2=O 587462786 SWAMZBGZMGRZLC-SFHVURJKSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N1CCCC1)CC2=O 587474280 GDBORNIOJWLKQK-OAQYLSRUSA-N 351.446 4.651 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514088 FLKDKNZXILTNGM-QFIPXVFZSA-N 358.441 4.672 0 1 FJAF Cc1nc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2o1 587584919 BZABPJPZTNLUDI-SIKLNZKXSA-N 373.364 4.545 0 1 FJAF Cc1cc2cccc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c2[nH]1 587587024 DYCXFACBNHUUOB-AUSIDOKSSA-N 371.392 4.885 0 1 FJAF C[C@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589434 OQCSCCOZIPRAON-NZQKXSOJSA-N 371.392 4.751 0 1 FJAF C[C@]1(c2cc(Cl)cs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587612637 KCVDHANSGFHRFX-VQIMIIECSA-N 372.829 4.984 0 1 FJAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)cc1 587631601 QGMFGYRCWYINQX-UHFFFAOYSA-N 374.799 4.698 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2)N1 587704454 UMTCCQIDMMIOQH-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF Cc1c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc(F)c1F 587721019 VFPYQNSXHIUHKF-QPFGOUBPSA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3ccccc32)N1 587819841 WVQMDMZMYPEQTQ-BUXKBTBVSA-N 360.270 4.702 0 1 FJAF CCCc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587831805 YIPNQYRLKAZWPP-BTDLBPIBSA-N 352.247 4.757 0 1 FJAF COc1ccc(CCCc2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 587925848 QYDUZXHSCYTPRO-UHFFFAOYSA-N 354.450 4.543 0 1 FJAF NC(=O)N1CCc2sccc2[C@]1(c1ccc(F)c(Cl)c1)C1CCC1 962717338 UGAJEOWBEUVTIV-GOSISDBHSA-N 364.873 4.521 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 1857567168 MEHJFIPYSWVCTE-WKOLOUIMSA-N 374.521 4.814 0 1 FJAF CC(C)c1ccc(-c2cc(CN3CCNCC3)nn2C2CCCCC2)cc1 1857601081 LRCKJVODCWEZEM-UHFFFAOYSA-N 366.553 4.584 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]2CC[C@@]3(C)C=C[C@]21C3 2356624337 BDOAWQRZWHQUEM-GBVSWGERSA-N 360.494 4.582 0 1 FJAF CC1=C[C@@H]2CC[C@@H]3[C@](C)(COC(=O)CC(=O)O)CCC[C@@]3(C)[C@@]23CC[C@H]1C3 2356733988 ISUWFQVXZCXIRR-VFEGKJSPSA-N 374.521 4.973 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@@H](OC)O1 2356770656 DDLXKCMOPRPBNK-BDTXQGIKSA-N 366.542 4.902 0 1 FJAF Cc1nc(C)c(-c2ccnc(Nc3cccc(C(F)(F)F)c3)n2)s1 13559866 OBQRUVGOWSHCPO-UHFFFAOYSA-N 350.369 4.979 0 1 FJAF CO[C@@H]1C[C@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 13643549 BLHLYSLDSMMWFB-BDHVOXNPSA-N 371.908 4.696 0 1 FJAF O=C(Nc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1 14959143 RTZLRFNPNAHIFT-UHFFFAOYSA-N 362.820 4.978 0 1 FJAF CC(C)CC(C/C=C1/CO[C@](CO)(COC(=O)C(C)(C)C)C1)CC(C)C 28525882 ZZNLNGDYKWBALR-IKIAWEHASA-N 368.558 4.752 0 1 FJAF c1c[nH]c(-c2ccnc(Nc3ccc(Oc4ccc5c(c4)OCO5)cc3)n2)c1 40897329 AFIBYEYSGXQBHF-UHFFFAOYSA-N 372.384 4.736 0 1 FJAF CCCCn1ncc2cc(-n3ccc(OCc4ccccc4)cc3=O)ccc21 64559871 HDBJPOVKSITGMU-UHFFFAOYSA-N 373.456 4.566 0 1 FJAF Cc1cc(C)cc(NC(=O)[C@@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)c1 64637955 RKHYKZKCEDYPQI-IBGZPJMESA-N 366.461 4.608 0 1 FJAF Cc1cnc(-c2cnc(NCc3cccc(Cl)c3)nc2-c2ccco2)o1 82165573 RLKNNKNPOGGVGU-UHFFFAOYSA-N 366.808 4.966 0 1 FJAF CCN(CC)C(=O)c1nn(-c2ccccc2)c2c1[C@@H]1CC[C@]2(C)C1(C)C 101686315 NPCBUTBQJRWYEU-AOMKIAJQSA-N 351.494 4.529 0 1 FJAF CCC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 169314008 JVJYOCYVDQOIIM-DNSOFLDMSA-N 350.289 4.839 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962121 OOXXWTUHNBSEGW-ZETCQYMHSA-N 358.776 4.878 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cncc(Cl)c3[nH]2)c(C)c1 586966172 ISBDNFHVFHDTEO-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF COc1cc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c2cn1 587015118 XJEFNUMVHGZWML-UHFFFAOYSA-N 356.838 4.719 0 1 FJAF Cc1cnc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc2c1 587138948 XDMGGRQWBHHUAN-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF CCCc1nc(-c2nc3cc(F)c(Cl)cc3[nH]2)nn1-c1ccccc1F 587156871 UUVBRYJAZDUMGV-UHFFFAOYSA-N 373.794 4.695 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc(Br)ncc4[nH]3)c(Cl)c2c1 587174670 RBWYQTPBXBNDFZ-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Fc1nc(Cl)ccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587178031 MJZGWMBVCFHQRA-UHFFFAOYSA-N 353.784 4.996 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587238294 BMZGRUAVELWXKH-UHFFFAOYSA-N 372.428 4.608 0 1 FJAF Nc1ccc2oc(-c3nc4cc(Br)cc(Cl)c4[nH]3)cc2c1 587251665 KPJGKCCNRBQTSO-UHFFFAOYSA-N 362.614 4.974 0 1 FJAF O=C1c2ccc(O)cc2OC2(CCC3(CC3)CC2)[C@H]1c1ccc(F)cc1 587347971 BUEVSACWDFIZTE-IBGZPJMESA-N 352.405 4.983 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3cccc(Br)c31)O2 587374015 WLFKCJCLHKFYII-IBGZPJMESA-N 372.262 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(C4CCC4)c1F)[C@@H](C2)C3=O 587425993 JPUGMYOKFHGRNE-HTAPYJJXSA-N 352.405 4.765 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc-3c1Cl)CC2=O 587458979 BXZCBQREIXDHML-MRXNPFEDSA-N 356.809 4.533 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1OCC1CC1)CC2=O 587465712 GFBQNXBSPAFQOY-NRFANRHFSA-N 370.420 4.979 0 1 FJAF O=C1C[C@@H](c2cc(Cl)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587497050 DZAXKYPAXJMTIC-KRWDZBQOSA-N 356.805 4.654 0 1 FJAF CN(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587507404 PXNBUOYVYWLEKN-HXUWFJFHSA-N 355.865 4.991 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(O)c2)N1 587691992 JGCFIXJNCZKPIP-ZKANADHPSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCOC2CCCC2)N1 587812880 SHENOAJYBFRHRR-ABAIWWIYSA-N 356.279 4.513 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C)[C@H]1C 587822123 ISWNYMGSJQJHJT-KEXIXCRFSA-N 352.291 4.940 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(F)cn1 587856744 YLUKOYJZHMBMTN-UHFFFAOYSA-N 352.196 4.779 0 1 FJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587932135 UUUVJGWFPIABTA-YYSFKGJASA-N 350.315 4.573 0 1 FJAF Cc1c(Br)cnc2nc(-c3ccc(OC4CCC4)cc3)[nH]c12 587950966 HTEGOTZNBNUSBM-UHFFFAOYSA-N 358.239 4.627 0 1 FJAF COc1cccc2c1[C@]1(CCC2)c2ccsc2CCN1Cc1ccco1 962710278 LHEGDRXLTGPVNA-QFIPXVFZSA-N 365.498 4.988 0 1 FJAF c1ccc2c(c1)-c1ccc3ccccc3c1[C@]21NCCc2nc3ccccn3c21 962984303 CLMIKHJNUMQMFE-AREMUKBSSA-N 373.459 4.906 0 1 FJAF Cc1ccnc2c1CCN[C@@]2(C)c1ccc2noc(-c3cccc(F)c3)c2c1 963068672 CCVRTJCSDHVBHE-QHCPKHFHSA-N 373.431 4.747 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)CCc1ccc(O)c(OC)c1 963237647 YPQRGRJWFARCPN-UZUQRXQVSA-N 353.506 4.905 0 1 FJAF NC[C@H](Oc1noc2ncc(-c3ccccc3Cl)cc12)c1ccccc1 1857569819 VGOVVJRVKIMXAH-SFHVURJKSA-N 365.820 4.622 0 1 FJAF Cn1nc(C23CC4CC(CC(C4)C2)C3)cc1[C@H]1COC2(CCCCC2)O1 1857575060 OLWQVDPYHFNNOF-WRUMOOJNSA-N 356.510 4.636 0 1 FJAF Fc1ccc(N=c2[nH]c(=NCC3CCCC3)c3ccccc3[nH]2)cc1Cl 1857767825 BNPYCWFJAZRUFZ-UHFFFAOYSA-N 370.859 4.612 0 1 FJAF CC(=O)O[C@@H]1[C@H](O)c2cc(C(C)C)c(O)cc2[C@@]2(C)CCCC(C)(C)[C@@H]12 13302594 AMKZEPMOTWRTSJ-NXLVEIQXSA-N 360.494 4.578 0 1 FJAF biogenic CSc1ccc(Nc2nc(N)c(N=O)c(OCC3CCCCC3)n2)cc1 13538716 JBKFSYGZKCTBDB-UHFFFAOYSA-N 373.482 4.881 0 1 FJAF COc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C(F)(F)F 13584044 REYSHDZRXRFIEZ-SSTWWWIQSA-N 370.411 4.550 0 1 FJAF CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1C[C@H](O)c1ccccc1 13600317 IQMYQKPHIUDPJW-ZCYQVOJMSA-N 370.496 4.918 0 1 FJAF CC(C)(C)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3o2)cc1 28572279 DOEAGVMOWPEPIB-UHFFFAOYSA-N 364.854 4.580 0 1 FJAF COc1cc2c(cc1OC)CN(Cc1ccccc1-c1ccccc1)CC2 29064177 VRNLKRDGOACJDA-UHFFFAOYSA-N 359.469 4.929 0 1 FJAF CCOCc1cc2c3n1CCC[C@]3(CC)CCC(=O)Nc1ccccc1-2 43015018 UNVXNWJNODKIRV-JOCHJYFZSA-N 352.478 4.866 0 1 FJAF biogenic O=C1Nc2ccc(F)cc2/C1=C\c1nc(-c2ccc(F)cc2)n2ccccc12 72109307 ZLXOAKLSIOCAFJ-SFQUDFHCSA-N 373.362 4.772 0 1 FJAF CC(C)(C)c1ccc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 102787524 JKWZZSXWXWIDAG-DEOSSOPVSA-N 365.886 4.570 0 1 FJAF O=C(O)c1cccc2nc(-c3ccc(-c4ccccc4F)cc3F)[nH]c12 113982134 WNDRUXLWVOPPBV-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF CC1CCC(C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 218969598 SOBPRKYWNXHBRR-KFRGIWLWSA-N 355.522 4.659 0 1 FJAF COc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1C 586914485 RSXIMVSEFAFUTC-UHFFFAOYSA-N 374.396 4.648 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccc4[nH]ncc34)nc3ccc(O)c1c23 586989379 GSGAZFRIMOHYFW-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF N[C@@H](N=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077354 VMOWNLHDHXWGMI-SFHVURJKSA-N 363.808 4.669 0 1 FJAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587162392 BSXCKSWDZWOIOK-HNNXBMFYSA-N 369.387 4.965 0 1 FJAF Ic1ccccc1-c1cc2c3c(cccc3n1)CC2 587212442 JXAJVKWMPHDVLD-UHFFFAOYSA-N 357.194 4.605 0 1 FJAF CSc1ccc([C@@]2(CCC(C)=O)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409821 JPKFJMGVMQNGLW-OAQYLSRUSA-N 369.486 4.529 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(F)cc4)cc1)[C@@H](C2)C3=O 587426514 DBDOZZASCBDZAK-CVDCTZTESA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(F)cc1F)CC2=O 587466460 NXLVBSQPWILMDN-QGZVFWFLSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]cc(C)c21 587486537 UJQVJUPAWKNDPT-JOCHJYFZSA-N 353.462 4.814 0 1 FJAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@H](C)C2 587602275 HLPYGXZGCXNTKD-YFMCZXFPSA-N 372.420 4.750 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cccc2ccccc12 587871065 YKSCVBMQMBAMHY-UHFFFAOYSA-N 360.388 4.930 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3cc(OC)c(F)cc3[nH]2)cc1 587937149 NLDFYWFZBOAARO-NRFANRHFSA-N 362.404 4.899 0 1 FJAF Oc1c(Br)ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c12 587965105 NNPSGYPSSXTPBB-UHFFFAOYSA-N 359.267 4.871 0 1 FJAF Cc1c(F)ccc2c1[C@@](c1ccc(Cl)cc1)(c1cccnc1)NCC2 962148855 VINJKBGQCGMMCJ-OAQYLSRUSA-N 352.840 4.620 0 1 FJAF COCCn1cc(-c2nc(-c3c[nH]c4ncccc34)cs2)c2ccccc21 1857646905 FBBVETVCDWKWAI-UHFFFAOYSA-N 374.469 4.955 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc4cccnc4c3)nc2c1 1911581573 KKRGSVSMGKTECI-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]2C[C@@]3(C)[C@H]4C[C@]21C[C@]43C 2356580247 NLDXAZWXVUJQQN-ODSUPUQLSA-N 374.521 4.662 0 1 FJAF C[C@]1(Oc2cccc(F)c2)CCN(Cc2ccc(-c3ccccn3)cc2)C1 61905030 CORIRAIABNHUQD-QHCPKHFHSA-N 362.448 4.931 0 3 FJAF COc1cccc(-c2ccc3ncnc(NCc4ccccc4OC)c3c2)c1 4268132 KQSBBOFNNSUBDG-UHFFFAOYSA-N 371.440 4.926 0 1 FJAF [O-][n+]1onc(-c2ccc(C(F)(F)F)cc2)c1-c1ccc(C(F)(F)F)cc1 6536264 YZCVIJHTVDCDCM-UHFFFAOYSA-N 374.240 4.680 0 1 FJAF Cc1cc(N)c2cc(NC(=O)c3ccccc3Cc3ccccc3)ccc2n1 13835534 OARLHLABDSCPNB-UHFFFAOYSA-N 367.452 4.969 0 1 FJAF O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc(F)cc1F 21772978 NJUSTNQKEYLQPC-UHFFFAOYSA-N 364.804 4.918 0 1 FJAF Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)C[C@H]2CCCO2)cc1 40935824 UEQMWQDRMSYCRT-OAQYLSRUSA-N 367.464 4.832 0 1 FJAF O=C1COc2ccc(C3=Nc4ccccc4S[C@@H]3c3ccccc3)cc2N1 68079072 PKBIAUYNZMVJCB-JOCHJYFZSA-N 372.449 4.985 0 1 FJAF Fc1cccc(Cl)c1[C@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 72112197 LWLDLZPALRVJPC-HUUCEWRRSA-N 363.223 4.870 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3ccccc3)ncnc21 82178565 CVTCTSVLKSZNHU-INIZCTEOSA-N 351.498 4.683 0 1 FJAF ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@H]4C[C@H](N=N4)[C@@H]3[C@@]1(Cl)C2(Cl)Cl 103282643 FYISZJZMDZHFEQ-AXEYQCJTSA-N 366.890 4.671 0 1 FJAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccns2)c1 113761834 IEZWHMAPLOLSQE-HNNXBMFYSA-N 366.486 4.550 0 1 FJAF Cc1cccc(C#CC=C2CCN(C(=O)N(C)[C@H](C)c3ccccc3)CC2)n1 140322764 FRFZTKDETHKTJK-HXUWFJFHSA-N 373.500 4.577 0 1 FJAF Cc1cncc(-c2c[nH]c3ccc(-c4nnc(-c5ccccc5)o4)cc23)n1 222724113 AUPCMHXQHSKITK-UHFFFAOYSA-N 353.385 4.650 0 1 FJAF CCCNCC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 223003612 OELMPVSAWQPAJL-UHFFFAOYSA-N 366.534 4.574 0 1 FJAF Cc1ccc2nc(CSc3nncn3-c3ccc(C)c(Cl)c3)[nH]c2c1 586967894 HWTXSIKMCAJQHH-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF C[C@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1C(F)(F)F 587098594 ULNWVWPLBNGRRC-QMMMGPOBSA-N 370.172 4.891 0 1 FJAF Cc1cncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)c1 587341349 WDRBCZNVCMSHDC-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c[nH]nc1-c1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587438778 HUZZBAKPDNMQJP-SBUREZEXSA-N 374.440 4.697 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)([C@H]1C[C@@H]4C=C[C@H]1C4)[C@@H](C2)C3=O 587445986 QVEWIINCVZGJGF-OZLSYWEHSA-N 358.437 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(OC)c(Cl)c1)CC2=O 587460487 GKVDLUDXXUFNDF-HXUWFJFHSA-N 360.837 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3ccc(F)cc13)CC2=O 587473300 ZPUKLFVFDMOIOM-HXUWFJFHSA-N 353.393 4.682 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OC)c1OC(C)C)CC2=O 587487200 UXUHFEBOFBEFAH-FQEVSTJZSA-N 370.445 4.847 0 1 FJAF O=C1C[C@@H](c2ccccc2Oc2cnccn2)Oc2c1ccc1c2CCCC1 587515730 PXLVSOOKFMFUPS-NRFANRHFSA-N 372.424 4.854 0 1 FJAF CCc1c(C)[nH]c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587681 HJKQBBNHVDRZGY-GCJKJVERSA-N 363.413 4.602 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603808 RUCWXFOHJJTOLO-KUTXNELUSA-N 362.425 4.715 0 1 FJAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc([C@H](C)CC)cc12 587640589 BIYKKSCHDCNTKL-CQSZACIVSA-N 364.445 4.850 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C(C)(C)C)(C(F)(F)F)N1 587705395 MFJUUPZOSSJEOM-XLKFXECMSA-N 368.212 4.926 0 1 FJAF COc1ccc(-c2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cc1O 587785526 BILKNDYEVQCIRT-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3c2)N1 587806121 UUYUWUPUDXLOJU-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3o2)N1 587835069 UOBWGYRKZCBMIB-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCc1ccccn1 587859974 KIAPRISBNJSENN-UHFFFAOYSA-N 362.260 4.893 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](C)Oc1cccc(C)c1 587870378 GOZKVHRRUMWUBJ-HNNXBMFYSA-N 368.408 4.504 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962942779 BZMGSJJNODOZFY-BFUOFWGJSA-N 356.901 4.750 0 1 FJAF O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)c(F)c3)cc2)c1 1857567532 WYYWNDHCORNDOD-UHFFFAOYSA-N 369.367 4.854 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]21O 2356387343 PSEOFDBPRHEIQU-UIKRWWRCSA-N 372.549 4.991 0 1 FJAF CC(=O)OCC1=C2C(=O)O[C@@H](CC(C)=CCC1)[C@@H]2[C@H](C)CCC=C(C)C 2356721314 AGPUEDODDFNEDE-UXPWSPDFSA-N 360.494 4.900 0 1 FJAF CCCNC(=O)[C@@]1(C)CCCN(Cc2cccc(Oc3ccccc3)c2)C1 61905036 UFTWBVKANJGUAA-QHCPKHFHSA-N 366.505 4.607 0 3 FJAF NC(=O)Cc1cn(Cc2ccccc2)c2ccc(-c3cccc(F)c3)cc12 28888190 YZUTWFVMOVDHGN-UHFFFAOYSA-N 358.416 4.524 0 1 FJAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1NCc1ccncc1 28957099 OYJAYZAEARMXTP-UHFFFAOYSA-N 373.243 4.648 0 1 FJAF COc1cccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)c1 35858596 PCLRZJXNOSUFJJ-INIZCTEOSA-N 360.841 4.773 0 1 FJAF Fc1ccc(C2(c3ccc(F)cc3)CNC(c3ccccc3Cl)=N2)cc1 40424780 CEWAFXCNDQBSHL-UHFFFAOYSA-N 368.814 4.912 0 1 FJAF O[C@@]1(C(F)(F)F)c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F 64559518 ZNQUFMFGFSMGLK-LBPRGKRZSA-N 360.109 4.806 0 1 FJAF COc1ccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)cc1 72101275 CCPOQVPPTMDWJG-UHFFFAOYSA-N 362.351 4.659 0 1 FJAF c1cc2c(cc1OC1CCSCC1)CCC1(CCN(C3CCC3)CC1)O2 73225006 XXNVFNZAABJZOL-UHFFFAOYSA-N 373.562 4.673 0 1 FJAF COc1ccc(-c2nc3cc(C(=O)O)ccc3nc2-c2ccccc2)cc1 144448670 IFAKKFYAAWEPEM-UHFFFAOYSA-N 356.381 4.671 0 1 FJAF COc1ccc(Nc2ccc3c(C4CCN(C)CC4)c[nH]c3c2)cc1OC 144825231 DLYMATGBZQHMFW-UHFFFAOYSA-N 365.477 4.738 0 1 FJAF OC1(c2ccccc2Cc2ccccc2)CCN(CCc2ccccc2)CC1 169322412 RKKMVARMISEJST-UHFFFAOYSA-N 371.524 4.804 0 1 FJAF CCc1c(C(=O)OCCc2ccc(NC)cc2)[nH]c2ccc(Cl)cc12 473088480 IHLOLFCWBODEMP-UHFFFAOYSA-N 356.853 4.825 0 1 FJAF CCc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1 473096903 CKNMQVWAJGPIEP-UHFFFAOYSA-N 373.403 4.996 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2c(Br)ccnc2[nH]1 587048894 BYPFNNARJHYQOL-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF Cc1ccc2c3c(cc(-c4scnc4C(=O)O)nc13)-c1ccccc1C2=O 587101262 FLLYQWCLXJIRMC-UHFFFAOYSA-N 372.405 4.576 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]c(C)cc21 587488434 ZOEFKQLUJUKBOR-QFIPXVFZSA-N 353.462 4.814 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@H]1c1ccccn1)CC2=O 587488800 KCMRXJUURSULEI-JTSKRJEESA-N 351.446 4.802 0 1 FJAF O=C1C[C@@]2(CCCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 587509214 QTFBHVAQRNDMFT-JOCHJYFZSA-N 370.395 4.877 0 1 FJAF COc1ccc([C@@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525621 QTPLMJFBAUOVEV-SPLOXXLWSA-N 366.457 4.720 0 1 FJAF O=C1C[C@H](c2ccc3c(c2)NCCS3)Oc2c1ccc1c2CCCC1 587538587 PTLONGWBMNFEKB-LJQANCHMSA-N 351.471 4.790 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cc(F)cc1F 587558417 RYQNTIWKHFGXDE-FXAWDEMLSA-N 372.298 4.512 0 1 FJAF CCOc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587801138 IWIMABGRKLFPSL-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3c(F)cnc(Cl)c3[nH]2)cc1 587935273 HOPADHVMSRQDCW-INIZCTEOSA-N 367.811 4.939 0 1 FJAF O=C(O)Cc1ccccc1-c1cccc(NC(=O)OCc2ccccc2)c1 653793256 OTOSDJHWEKMFRH-UHFFFAOYSA-N 361.397 4.729 0 1 FJAF C[S@@](=O)c1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1 962665429 HWQOJOUPTOHVFC-JYFHCDHNSA-N 361.510 4.500 0 1 FJAF Cc1cc(Br)c(F)cc1[C@@H]1NCCc2cc(Cl)ccc21 963390882 OCFFRTGMIWDXMV-MRXNPFEDSA-N 354.650 4.785 0 1 FJAF CCN(Cc1ccc(F)cc1)C(=O)Cn1c2ccccc2c2ccccc21 1857600762 SENZHCJSQXTVHU-UHFFFAOYSA-N 360.432 4.982 0 1 FJAF COC(=O)C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@@H]2CC[C@@H]1C 2356519666 LNECUDALXOQOBS-REIYTJMXSA-N 362.510 4.838 0 1 FJAF Clc1ccccc1OCCNc1nc(NCC2CC2)nc2ccsc12 61926365 USSGQTHLKKEPKW-UHFFFAOYSA-N 374.897 4.658 0 3 FJAF Clc1ccc(CNc2nccc(-c3ccc4[nH]ncc4c3)n2)cc1Cl 72139475 MQJVDVMWBFSFHI-UHFFFAOYSA-N 370.243 4.939 0 3 FJAF CCCC[C@H]1[C@@H]2C[C@H]([C@H](OC(=O)NCc3ccccc3)C2)[C@H]2CCCCN12 203467878 KEIGSSMHCAZNQG-CDJZJNNCSA-N 370.537 4.735 0 3 FJAF CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3c(ccc4ccccc43)c12 13741137 LAODXGIVJPBGKB-BVZFJXPGSA-N 368.480 4.963 0 1 FJAF N=C(N)c1cc(-c2nc(-c3ccccc3)cs2)c(C(F)(F)F)s1 26820079 GKUYYNVTYLAIMJ-UHFFFAOYSA-N 353.394 4.841 0 1 FJAF CC(C)(C)C(=O)OCSCCCCCCC(=O)Nc1ccccc1 28116910 WEECNHWSXOYIPF-UHFFFAOYSA-N 351.512 4.856 0 1 FJAF CCCCNC(=O)Nc1cccc2c1CN(C)C[C@H]2c1ccc(Cl)cc1 28217989 XYXYKARIFFFTLI-SFHVURJKSA-N 371.912 4.839 0 1 FJAF OC1(Cc2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817145 DJXDWBRLMRAPJG-UHFFFAOYSA-N 357.497 4.846 0 1 FJAF in-vivo c1ccc(Cn2c(SCc3ccccn3)nnc2-c2ccsc2)cc1 28976746 NPIBVIMOEJPZJO-UHFFFAOYSA-N 364.499 4.742 0 1 FJAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccc(Cl)cc3)nnc1-2 35091018 DZAYEOKAOWEASF-UHFFFAOYSA-N 367.884 4.696 0 1 FJAF COc1ccc(CSCCNC(=O)c2c(Cl)cccc2Cl)cc1 49808650 DASMJEBTWDBOCS-UHFFFAOYSA-N 370.301 4.665 0 1 FJAF CC(C)(C)[C@]1(c2ccccc2)OCC[C@H](CCNCc2ccccc2)O1 95553766 YSBUGXUYZXDSGC-JTHBVZDNSA-N 353.506 4.871 0 1 FJAF Nc1ccccc1Oc1ccc(-c2nc(C3CCC3)n3ccnc(N)c23)cc1 96168290 WXRZGJIYJWCFAD-UHFFFAOYSA-N 371.444 4.621 0 1 FJAF c1ccc(C2=NO[C@H](c3c[nH]c4ccccc34)[C@@H]2CN2CCCCC2)cc1 103288081 XOGORRVTFIQINH-NFBKMPQASA-N 359.473 4.746 0 1 FJAF Fc1cc(-c2ccccc2)cn2c(Cc3ccc4ncccc4c3)nnc12 144500702 CUMHDHNJUGEJAV-UHFFFAOYSA-N 354.388 4.674 0 1 FJAF CC(C)[C@H](CO)NCc1nc(C2CCC(C(C)(C)C)CC2)ccc1F 204415220 ORRKEXSZSKHGGI-PMTKGXAQSA-N 350.522 4.647 0 1 FJAF Cc1c(Br)cc2nc([C@H](C)Sc3ncccn3)[nH]c2c1C 586960417 BTQMHXCILUCURP-JTQLQIEISA-N 363.284 4.586 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2n1 587008468 WKYGPICDNNMZJA-UHFFFAOYSA-N 370.254 4.561 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccncc1)(c1cccc(Cl)c1)O2 587378777 PSDYTEGXISUCLG-NRFANRHFSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1c[nH]c3ccccc13)O2 587397389 UWNBJYMBHFOJEZ-XMMPIXPASA-N 368.436 4.968 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1Oc1ccccc1)[C@@H](C2)C3=O 587440664 CDABEYDTYGNHPG-MBSDFSHPSA-N 358.393 4.976 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OCC)cc1)CC2=O 587481788 SFRHTXCUFXLNGM-QFIPXVFZSA-N 354.446 4.710 0 1 FJAF CC(C)(C)C[C@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604877 ZTLVJUODWXVYMD-PGRDOPGGSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)c(F)c2)N1 587713800 CYWMAVJWDPSEQQ-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccncc3c2)N1 587776955 FHVZQUBLRGRTKA-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(OC)cccc2s1 587871830 CTWIRJLTXAMXAX-UHFFFAOYSA-N 369.421 4.695 0 1 FJAF CC(C)N(Cc1ccc(F)c(F)c1)C(=O)c1ccc2ccccc2c1O 653918438 GOIZMMUUTLJYPJ-UHFFFAOYSA-N 355.384 4.874 0 1 FJAF COc1cccc2cc3c(nc12)[C@H](c1ccc(Cl)c2[nH]ccc12)NCC3 963049969 XGAZXUGESXUKLL-NRFANRHFSA-N 363.848 4.613 0 1 FJAF COc1ccc(-c2cccc(C)c2NCCCn2ccnc2C)cc1OC 1772631935 JFSBRDDUMPRTEA-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF CC(C)=CCc1ccc(/C=C/C(=O)O)cc1NC(=O)/C=C/c1ccccc1 1857554422 JSSDGTGEUJNBDG-WFYKWJGLSA-N 361.441 4.945 0 1 FJAF COC(=O)CC[C@@]12[C@H]3[C@@H]4CC[C@@]1(C)C[C@H]1CC[C@@]5(CCC[C@@H]25)[C@H]1N3C[C@@H]4C 2356468843 SBZSORFWYJGMHS-QESZAVQHSA-N 371.565 4.645 0 1 FJAF CCC(=O)OCC1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 2382240867 YYZLHQOCQDYDCN-PKTZIBPZSA-N 364.489 4.538 0 1 FJAF CCCCC[C@@H](O)c1cccc(OCc2cccc(CC(=O)OC)c2)c1 25988042 MLIKNUKBBMHSGC-OAQYLSRUSA-N 356.462 4.595 0 1 FJAF O=C(OCCCCCCCCn1ccc2cc(O)ccc21)c1cccnc1 27088000 RFPGTVJGKCEBQQ-UHFFFAOYSA-N 366.461 4.940 0 1 FJAF CCCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2[C@H]1O 28229940 AYOHBNKIDNBRON-DHIUTWEWSA-N 368.473 4.897 0 1 FJAF COc1ccc(CCn2c(-c3ccccc3)nc3cc(C(=O)O)ccc32)cc1 43123039 ZEFYYLGNZIWSLK-UHFFFAOYSA-N 372.424 4.653 0 1 FJAF CCS(=O)(=O)c1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 71296599 SDWFFQMCJDZURQ-UHFFFAOYSA-N 356.230 4.595 0 1 FJAF Clc1ccc(N2CCCN(Cc3nc4ccccc4s3)CC2)cc1 73200413 ANQFIBHZMVNJLK-UHFFFAOYSA-N 357.910 4.662 0 1 FJAF CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84688662 QNJDDBRAMOMRCD-CYBMUJFWSA-N 353.853 4.821 0 1 FJAF CC1(C)c2nnsc2[C@@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 103277126 QXMYGAOEVFPWOJ-NVXWUHKLSA-N 357.429 4.528 0 1 FJAF COc1cccc2c1COc1cc(Nc3ccc(F)cc3F)ccc1C2=O 103292997 CTFSFDGNZGTSTG-UHFFFAOYSA-N 367.351 4.840 0 1 FJAF O=C(O)c1ccc2nc(-c3ccccc3)c(NCCc3ccccc3)nc2c1 116231546 HTVPAGXKVGAZQE-UHFFFAOYSA-N 369.424 4.650 0 1 FJAF Nc1ccc(F)c(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 148595923 JJNKPOVRMNDYFE-UHFFFAOYSA-N 370.391 4.638 0 1 FJAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCCC[C@@H]3[C@@]12c1ccccc1 299814217 RHTNTPVCOFBZJY-QTJGBDASSA-N 374.484 4.512 0 1 FJAF CSc1cccc(N[C@@H]2N=C3C=CC(Br)=C[C@@H]3S2)c1 473083581 BYMFATCWKOKSAI-UONOGXRCSA-N 353.310 4.509 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCO4)cc1 586880454 PKGYNWSSINWPRB-UHFFFAOYSA-N 372.380 4.632 0 1 FJAF Cc1oc2c(c1-c1nc3ccc(C(=O)c4ccccc4)cc3[nH]1)C(=O)CCC2 586903034 FVZZWLKCZSBPKB-UHFFFAOYSA-N 370.408 4.881 0 1 FJAF CCCC(Br)(CCC)c1nc2cc(C(=O)O)c(F)cc2[nH]1 586970239 CDNRLRFRWYWPGJ-UHFFFAOYSA-N 357.223 4.591 0 1 FJAF Cc1cnc(Cl)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587032004 DXURCYWMXWMIPO-UHFFFAOYSA-N 354.866 4.928 0 1 FJAF COc1ccc(NC(C)(C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1 587201546 RNAGUOCUEKIFEV-UHFFFAOYSA-N 351.237 4.621 0 1 FJAF Cc1cc(O)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587207852 XPFZONGLWWNDLH-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF C[C@]1(c2cc(Br)ccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587507043 ZYYZYROESGZGLA-LJQANCHMSA-N 372.262 4.604 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3ccccc23)N1 587774303 MDAZOWAPFHNXIV-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4ccc(C(=O)N(C)C)cc4[nH]3)ccc2c1 587934230 FOUKTWNNNRDOFV-CQSZACIVSA-N 373.456 4.578 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]31CS[C@@H](c2cccs2)C1 963057183 MJKTZNJJCJOSIN-XLIONFOSSA-N 368.527 4.524 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)=O)c1ccccc1OC 963235447 WMMYCCDYNWVRSV-UZUQRXQVSA-N 351.490 4.575 0 1 FJAF CC(C)C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(F)c1 1857544943 KGQVLDAYQYSYKT-IBGZPJMESA-N 365.452 4.534 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)c(C)c1 1857548295 MFZOATWHLNANSZ-HTAPYJJXSA-N 361.489 4.703 0 1 FJAF COc1cccc(-c2cn3c(-c4ccccc4Cl)cnc3cn2)c1F 1857590694 XMPQHEMMPTYODK-UHFFFAOYSA-N 353.784 4.864 0 1 FJAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](O)[C@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356503420 HHOTZDHXDANUOI-DYBNHMQJSA-N 364.526 4.604 0 1 FJAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](O)[C@@H]([C@@H](C)CCC=C(C)C)[C@@H]21 2356503421 HHOTZDHXDANUOI-LOPMBQHNSA-N 364.526 4.604 0 1 FJAF Clc1ccc2c(NC[C@@H]3C[C@@]4(c5ccccc5)CCN3C4)ccnc2c1 2382258016 SXTRBWOKNVYHBM-AVRDEDQJSA-N 363.892 4.716 0 1 FJAF CCN1C(=O)Cc2c([nH]c3ccc(Br)cc23)-c2ccccc21 13532043 MAFLJIUHVCHLMV-UHFFFAOYSA-N 355.235 4.506 0 1 FJAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CNCCCc1ccccc1)O2 13651349 WSWFWXQSJBZYPQ-HSZRJFAPSA-N 353.506 4.624 0 1 FJAF O[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccc(F)cc2)C1 27711023 RTOQYXIVOLMJPX-RUCTVCJSSA-N 369.480 4.612 0 1 FJAF CN(C)[C@@H]1CCC[C@H]1N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 28237119 LQQGYJZSCKRXFJ-HZPDHXFCSA-N 367.276 4.716 0 1 FJAF COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccccc2)cc1 28571509 RDGFXCNKHCLJGX-IBGZPJMESA-N 362.454 4.748 0 1 FJAF Cc1cc(Br)cn2c(CSCCc3ccccc3)cnc12 28877325 PIJKGHCRBTYUDQ-UHFFFAOYSA-N 361.308 4.881 0 1 FJAF O=C(Nc1ccccc1)Nc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 28900503 PJYJSXWCJLWUFS-RGEXLXHISA-N 355.397 4.823 0 1 FJAF CN1CCOc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)ccc21 28972790 QNZPSPBILYUMMU-UHFFFAOYSA-N 368.820 4.681 0 1 FJAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2ccccc2C(F)(F)F)cc1 100087890 RRYDRTATJZLKKF-PSZPDYNHSA-N 372.434 4.678 0 1 FJAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 136577485 YQDIZAHKTNEAGG-IMAQQZIHSA-N 370.452 4.729 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238768183 DPBCVQQQIVNUMJ-LFAVWFGJSA-N 362.510 4.663 0 1 FJAF Cc1cc(Br)c2[nH]c(/C=C/c3ccccc3C(=O)O)nc2c1 586880862 CJPCPHBJJAEFCN-VOTSOKGWSA-N 357.207 4.502 0 1 FJAF Cc1ncc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c(C)c1Br 586979253 KQIKYIJCQFUEIX-UHFFFAOYSA-N 359.271 4.697 0 1 FJAF CCOC(=O)c1ccc2nc(-c3ccc4cc(Cl)ncc4c3)[nH]c2c1 587084826 IREVYHZNUYQDQW-UHFFFAOYSA-N 351.793 4.608 0 1 FJAF O=C(c1cnc(Cl)nc1C(F)(F)F)c1coc2ccc(Cl)cc12 587278736 SKANNOHHPAYUPL-UHFFFAOYSA-N 361.106 4.779 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3cccc(Br)c31)O2 587374017 WLFKCJCLHKFYII-LJQANCHMSA-N 372.262 4.537 0 1 FJAF COc1cc(Cl)c([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587374085 GBCJBWKMGPIWTH-OAHLLOKOSA-N 352.217 4.599 0 1 FJAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 587376078 OMGITMJLXVAZJK-AZUAARDMSA-N 369.417 4.571 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1)(c1ccco1)[C@@H](C2)C3=O 587424362 YZJSTIMZOKFCNM-KKSFZXQISA-N 366.800 4.633 0 1 FJAF CCc1ccccc1-n1cccc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587429877 DLGHPVLXJRPRJM-UZUQRXQVSA-N 359.425 4.537 0 1 FJAF CCc1c([C@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)oc2ccc(C)cc12 587455128 JMQXQLGTHYZINC-UZUQRXQVSA-N 362.425 4.975 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc(Cl)c13)CC2=O 587461909 OAGUAYQLGJJIAD-INIZCTEOSA-N 356.809 4.581 0 1 FJAF COc1ccc2c(c1)[C@]1(CCS2)CC(=O)c2ccc3c(c2O1)CCCC3 587538600 PWOPIDVKBDIRRZ-QFIPXVFZSA-N 366.482 4.931 0 1 FJAF CCCc1nc2ccccc2n1Cc1ccc(-c2ccccc2C(N)=O)cc1 1772581828 VTPVHUKEMCBVSN-UHFFFAOYSA-N 369.468 4.803 0 1 FJAF C[C@@H](NC(=O)Nc1cc2[nH]nc(Nc3ccccc3)c2cn1)c1ccccc1 1772611840 LTZIVAVUALRHCK-CQSZACIVSA-N 372.432 4.584 0 1 FJAF COc1ccc(-c2cn3cc(-c4cc(OC)cc(OC)c4)ccc3n2)cc1 1857542863 IHJONSSVOHRQHD-UHFFFAOYSA-N 360.413 4.694 0 1 FJAF CC(=O)OC[C@]12C=CCC[C@@H]1[C@](C)(CC[C@H](C)CC(=O)O)[C@@H](C)CC2 2356593395 IXVLFGNKARRZOI-UAOIFFKFSA-N 350.499 4.829 0 1 FJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cccc2ccccc12 4049862 GMBSMVWRQRTHDK-GGAORHGYSA-N 372.468 4.848 0 1 FJAF O=C(CCCCC[C@@H](O)c1ccccc1)c1ncc(-c2ccccn2)o1 14980125 GTNCYKSWIJTPPW-GOSISDBHSA-N 350.418 4.603 0 1 FJAF CC[C@]1(CC(=O)O)OC[C@@H](CCc2ccccc2)c2c1[nH]c1ccccc21 26294548 OKYZYOJSCGIDNM-UZUQRXQVSA-N 363.457 4.995 0 1 FJAF O=C1NCCc2c(C(c3ccccc3)c3ccccc3)[nH]c3cccc1c23 27555296 UPKUCIOIJSLJPD-UHFFFAOYSA-N 352.437 4.634 0 1 FJAF Cc1cc(F)ccc1/C=C/c1ccc(S(=O)(=O)c2ccccc2F)cn1 28889318 XRIYQJQTBYCRKS-VQHVLOKHSA-N 371.408 4.671 0 1 FJAF O=C(O)c1csc(Nc2cc(Cl)ccc2OCc2ccccc2)n1 29045030 BIKNYZPEHYUWFL-UHFFFAOYSA-N 360.822 4.817 0 1 FJAF COc1cccc([C@@H](c2ccc(OCCN(C)C)cc2)c2cccs2)c1 29130772 IWCFUVMUABGNPW-JOCHJYFZSA-N 367.514 4.877 0 1 FJAF Cc1c(CN2CCN(C(=O)Nc3ccccc3)CC2)sc2ccccc12 43080663 SGMGCTNPWYWNSG-UHFFFAOYSA-N 365.502 4.559 0 1 FJAF CNc1ccc(-c2cc3cc(OCCOCCOCCF)ccc3o2)cc1 71316073 MXLPXNGSUJCKMW-UHFFFAOYSA-N 373.424 4.523 0 1 FJAF O=c1[nH]c2cc(-c3ccco3)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270716 HEDJFFINYDHRNV-UHFFFAOYSA-N 361.788 4.985 0 1 FJAF O[C@@]1(c2ccc(Cl)cc2)C[C@@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185017 AXPWNFAVTPIWHV-HATOLVCRSA-N 366.892 4.836 0 1 FJAF COc1ccccc1Oc1cc(NC[C@H]2CC[C@H]3C[C@@H]2C3(C)C)ncn1 104930403 OBZABPCRXBXWRJ-PMPSAXMXSA-N 353.466 4.762 0 1 FJAF C[C@@]1(/C(O)=C\O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 238789403 DEWLHZQVWXKVNO-IGUDEGFWSA-N 352.471 4.579 0 1 FJAF COc1ccc(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)cc1 299827046 FUEPRASVPKRKGR-UHFFFAOYSA-N 355.441 4.558 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2ccc3ncccc3c2[nH]1 587076544 WBINBYYWCLDRFZ-UHFFFAOYSA-N 359.820 4.926 0 1 FJAF FC(F)(c1ccccn1)c1nc2cc(Cl)cc(Br)c2[nH]1 587089303 PSDPFEIKZBGUSG-UHFFFAOYSA-N 358.573 4.514 0 1 FJAF Oc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587148475 ARYJTFCTMGZEAN-IBGZPJMESA-N 352.340 4.715 0 1 FJAF COc1cc(-c2nc3ccc(Cl)c(C)c3[nH]2)nn1-c1ccccc1F 587157174 XDLFOVTWBIDRNS-UHFFFAOYSA-N 356.788 4.525 0 1 FJAF Cc1c(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)cc(-c2ccc(F)cc2)n1C 587165935 IATSWENVAGRPAL-UHFFFAOYSA-N 367.355 4.520 0 1 FJAF c1coc(CNCc2ccc(-c3nc4c(cnc5ccccc54)[nH]3)cc2)c1 587231876 GYGZUMDGZMJXPB-UHFFFAOYSA-N 354.413 4.661 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCC[C@H]2C2CC2)[C@@H]1c1ccc(F)cc1 587352111 LUCQJARCCFQOHJ-DWLFOUALSA-N 352.405 4.839 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1[nH]c1ccc(C)cc31)CC2=O 587484820 NSIVBJHVEGUDPG-HSZRJFAPSA-N 361.441 4.941 0 1 FJAF O=C1C[C@H](c2c[nH]c3ncc(Cl)cc23)Oc2c1ccc1c2CCCC1 587497998 IDBDBHCYFMRZCU-GOSISDBHSA-N 352.821 4.802 0 1 FJAF Cc1cccc([C@@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512766 PJGPQBWYGKESMN-XIQMRYHBSA-N 361.485 4.810 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2occc2c1 587617483 PVRXRZYNEBCUHT-SIKLNZKXSA-N 358.349 4.841 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)C(F)(F)F)c(-c3ccco3)[nH]c12 587637091 BZTNHPTUIJRLAV-UHFFFAOYSA-N 373.233 4.506 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587718277 IHHOPZIEPZARIQ-LZVRBXCZSA-N 366.249 4.968 0 1 FJAF CC(C)n1cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757329 UUHJCQARNNGOON-GTNSWQLSSA-N 351.263 4.594 0 1 FJAF C[C@H](Oc1ccccc1Cl)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873570 FDLSZJLXWRMVTR-JTQLQIEISA-N 358.756 4.556 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3cccc(F)c3)nc2C)N1 962952830 VYOMVGCIAHYMTD-WAIKUNEKSA-N 374.463 4.815 0 1 FJAF COc1ccc(-c2c(C)c(C)cc3c(OC)c4c(c(OC)c23)OCO4)cc1 2356725550 OPFYDJRCHOWZSV-UHFFFAOYSA-N 366.413 4.878 0 1 FJAF Cc1ccc(/C=C/C(O)=C2/C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100913569 WECSMEKBFPEVLX-VASPYRGMSA-N 361.441 4.575 0 3 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@@]3(O)[C@@H](C(C)C)CC[C@]23C)cc1 13432258 IYDWZZNRGMWKMG-OHUMZHCVSA-N 372.505 4.764 0 1 FJAF Cc1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C 28527493 FHOFCCHFZZIEIE-UHFFFAOYSA-N 354.538 4.666 0 1 FJAF COc1cc(/C=C2/c3ccccc3C(=O)c3ccsc32)cc(OC)c1O 34095728 QKNHIXATTPOZEF-SXGWCWSVSA-N 364.422 4.604 0 1 FJAF Fc1cccc(Cl)c1-c1noc(-c2ccc(Br)cc2)n1 64559727 UCCZIAXJSCUQQC-UHFFFAOYSA-N 353.578 4.959 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCc3ccccc3F)ncnc21 82181033 QBGBSHYEWZNLPW-CQSZACIVSA-N 367.472 4.544 0 1 FJAF CC1=C(c2ccc(F)cc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103199107 MFSFZSVKXMIRIQ-UHFFFAOYSA-N 366.461 4.986 0 1 FJAF C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@@]12O 118934436 ITRLYOYEKVDKEE-PTILYRLISA-N 358.522 4.634 0 1 FJAF CCCSc1nc([C@@H](C)c2c(F)cccc2Cl)c(CC)c(=O)[nH]1 169352209 SDJDQKDKOGJRSI-JTQLQIEISA-N 354.878 4.779 0 1 FJAF COC(=O)CC[C@]12C3=CCC[C@@H]3CC[C@@H]3CN[C@H]1[C@@H](C(C)C)CC[C@@]32C 238753673 WDKKUOYIQZUWGE-HBGFBWKXSA-N 359.554 4.717 0 1 FJAF O=C(O)/C=C/c1ccccc1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 586880770 RWTSLVVWKQAKMM-ACCUITESSA-N 368.392 4.559 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(OC(F)(F)F)cccc2[nH]1 587072830 XWILJQWRPXPLJE-UHFFFAOYSA-N 354.715 4.540 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082828 XRECKTJYWOQNND-UHFFFAOYSA-N 356.788 4.564 0 1 FJAF CC(C)(C)c1ccc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2n1 587133613 WEAADOWXYGBFCO-UHFFFAOYSA-N 366.223 4.932 0 1 FJAF N[C@]1(c2nc3ccc(Oc4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F 587157007 QQLRLDQAPZDMNA-VGOFRKELSA-N 359.404 4.836 0 1 FJAF CC(C)[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197802 OSJKOJXJMBLKET-CQSZACIVSA-N 357.376 4.544 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)([C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H](C2)C3=O 587449717 GQJSJKVAKDASDV-HLHCEBLESA-N 360.862 4.720 0 1 FJAF Cc1nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2o1 587584920 BZABPJPZTNLUDI-UGKGYDQZSA-N 373.364 4.545 0 1 FJAF CC(C)CSC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615351 XGFPTQVPKJWDSI-PXNSSMCTSA-N 358.459 4.502 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)c(F)c2)N1 587720959 UPAMGDUYPHDAQL-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587824901 AZVPYTHAYQBNLM-UQLKUDODSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccccc23)N1 587828764 OWIKRQGQVBTISC-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF CSc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587843816 JLKJMWZKKNIKSB-BTDLBPIBSA-N 366.299 4.934 0 1 FJAF COc1ccc(/C=C/Cc2nc3cc(Cl)c(Cl)nc3[nH]2)c(OC)c1 587929659 OMLABXQQXBOERY-ONEGZZNKSA-N 364.232 4.538 0 1 FJAF c1ccc(Oc2ccccc2Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587949666 KJLFNNLEZUFBIU-UHFFFAOYSA-N 358.397 4.717 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955319 HITXEOBFHCTOPP-KRWDZBQOSA-N 360.388 4.775 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1 587959866 RJNWGIDWPRRZCG-UHFFFAOYSA-N 354.413 4.711 0 1 FJAF CCc1c(C)c(C(=O)NCc2ccccc2OCC(C)C)n(C)c1Cl 1857639376 VUSQFZQVUHQGGJ-UHFFFAOYSA-N 362.901 4.514 0 1 FJAF Cc1nc(NC(=S)Nc2cccc(C(F)(F)F)c2)c(C)c(C)c1O 1857645381 YBYKMUBIPUHBJA-UHFFFAOYSA-N 355.385 4.540 0 1 FJAF CN(C)C(=O)c1ccc(-c2ccc3ncnc(Nc4ccccc4)c3c2)cc1 4239274 YBCRBWOQXIWCEQ-UHFFFAOYSA-N 368.440 4.742 0 1 FJAF O=c1c(-c2ccccc2)c(SCc2cccnc2)oc2cc(O)ccc12 13581386 UMNZDARZMIOOHP-UHFFFAOYSA-N 361.422 4.853 0 1 FJAF CCN(CC)CCCCOc1cc(C)n(-c2ccc(Cl)c(Cl)c2)n1 35966981 NPRFZTVJNINRBD-UHFFFAOYSA-N 370.324 4.988 0 1 FJAF CCC(=O)c1cc(C)ccc1Oc1ccnc2cc(OC)c(OC)cc12 40424193 YHKFXBORWYMXRL-UHFFFAOYSA-N 351.402 4.945 0 1 FJAF CC(C)c1cccc(Nc2nnc([C@H](O)c3cccc(N(C)C)c3)s2)c1 82082997 LNYJXQARKDCHKG-GOSISDBHSA-N 368.506 4.553 0 1 FJAF CCCc1nc2c(NCc3ccc(C)cc3)ncnc2n1C[C@H](C)CC 82179372 SSTLQIGJIYVWTB-OAHLLOKOSA-N 351.498 4.745 0 1 FJAF c1ccc(C[n+]2cnn(Cc3c(-c4ccccc4)oc4ccccc34)c2)cc1 96910430 GHYYQAHSSWJHPV-UHFFFAOYSA-N 366.444 4.680 0 1 FJAF CCCC[C@@H](C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316677 HOCKHWOFIRTBOW-RAEXOYPBSA-N 352.515 4.750 0 1 FJAF O=C(Nc1cc2ccc(-c3c(Cl)cccc3Cl)nc2cn1)C1CC1 169700088 MRCPOCGFGBVRAQ-UHFFFAOYSA-N 358.228 4.952 0 1 FJAF CC1(C)C(=O)CC[C@@]2(C)[C@H]1CC[C@@]1(C)c3cc(OCCO)ccc3CC[C@@H]12 474609772 UWEPSRPTHSGALK-TZYAJKAJSA-N 370.533 4.683 0 1 FJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(N)c(N)cc4[nH]3)c21 587031548 STCIZEAGIQQNES-LLVKDONJSA-N 363.490 4.686 0 1 FJAF COc1ccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095794 VMJJTCVDUWBENS-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc(-n5cccn5)c(F)cc4[nH]3)C2)c1 587131516 LTPPOMCCALOOFG-UHFFFAOYSA-N 368.362 4.769 0 1 FJAF C[C@H]1c2nc3cccc4c3c(c2C[C@H](C(=O)O)C1(C)C)-c1ccccc1C4=O 587207316 RJAQHPIZJKSJAL-YVEFUNNKSA-N 371.436 4.833 0 1 FJAF COc1cccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c12 587513978 COGVASJDLNIEJZ-OAQYLSRUSA-N 361.441 4.772 0 1 FJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587528515 ATQVHTSECRDDLX-VJBWXMMDSA-N 368.473 4.570 0 1 FJAF COC(=O)Cc1[nH]c2ccc(F)c(Cl)c2c1-c1ccc(F)c(F)c1 587629343 LDUMHRXWIYPWKF-UHFFFAOYSA-N 353.727 4.621 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3ccc(Cl)s3)[nH]c12 587637898 QPNDGDJASOYYLJ-UHFFFAOYSA-N 373.739 4.993 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587719126 PARARTJMOANNDJ-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587932097 MFLZNTVWWHBTEP-UHFFFAOYSA-N 369.783 4.799 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1ccc(O)cc1 653887479 CNCIENOCRUMFQU-YMPZKCBVSA-N 356.425 4.533 0 1 FJAF FC(F)(F)CCCONC1=C[C@H](c2cccc(Br)c2)C1 957615186 DNHVJZVGAOHMAX-NSHDSACASA-N 350.178 4.684 0 1 FJAF CC[C@]1(CCc2ccc(Br)cc2)NCCc2c(C)ccnc21 963066200 FUJPWRNBLPDERE-LJQANCHMSA-N 359.311 4.536 0 1 FJAF c1cncc(-c2nc(N[C@H]3CCc4ccccc4C3)c3ccccc3n2)c1 1772608148 NNXTWWKGCDOEQE-IBGZPJMESA-N 352.441 4.661 0 1 FJAF O=c1cc(-c2ccccc2Cl)oc2c(Br)ccc(O)c12 8680124 GLBBHNYUEXCYJF-UHFFFAOYSA-N 351.583 4.582 0 3 FJAF aggregator C[C@@]1(Cc2cc(Cl)ccc2C(F)(F)F)C(=O)Nc2cc(F)ccc21 61902888 QAJNEHOGSCYCLX-INIZCTEOSA-N 357.734 4.950 0 3 FJAF CC(C)Oc1cccc(Nc2cc3c(cn2)cc(-c2cnn(C)c2)n3C)c1 74372946 MFMAIFJXPCAVTI-UHFFFAOYSA-N 361.449 4.505 0 3 FJAF CSc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc(Cl)cc23)c1 2468501 SAYYVEPDGUTVKI-QAPCUYQASA-N 360.866 4.832 0 1 FJAF CC(C)(C)[C@@]1(O)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@@H]2C1 3870317 ZZJYIKPMDIWRSN-OTNCWRBYSA-N 361.529 4.845 0 1 FJAF COc1ccc2c(C=O)c(-c3ccc(O)cc3O)oc2c1CC=C(C)C 15203513 GBYUYYCUGKCGMM-UHFFFAOYSA-N 352.386 4.841 0 1 FJAF biogenic,in-vitro Fc1ccccc1C1=NCc2cnc(Cl)nc2-c2ccc(Cl)cc21 29333036 ZEGKMPUYDXONKA-UHFFFAOYSA-N 358.203 4.941 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1ccc(C(F)(F)F)cc1O 84690202 UZNOSQGRMWLPIC-UHFFFAOYSA-N 361.772 4.861 0 1 FJAF Nc1nc(NC2CCCCC2)sc1C(=O)c1ccc2ccccc2c1 95920920 SVWJDTLRFATPCQ-UHFFFAOYSA-N 351.475 4.854 0 1 FJAF in-vitro COc1cc(C/C=C(/Cl)Cc2cc(O)cc(O)c2)c(OC)cc1Cl 96283231 MKTUZAYNCRKLDS-YIXHJXPBSA-N 369.244 4.676 0 1 FJAF Fc1ccc(OCCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 100753604 GHQBNTNSLQFLLN-KKSFZXQISA-N 350.437 4.838 0 1 FJAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(Cl)cccc32)cc1 116390273 LBEMWDJQHIXCQV-MOPGFXCFSA-N 360.837 4.959 0 1 FJAF O=C(CNCC1CCCCC1)N1CCc2ccccc2[C@@H]1C1CCCCC1 169006270 QIUGFMUGPGWDKI-DEOSSOPVSA-N 368.565 4.863 0 1 FJAF CC[C@H](NC(C)(C)CO)c1ccc(Cl)c(C(=O)c2ccccc2)c1F 220691191 LPLQRYIISFJDKD-INIZCTEOSA-N 363.860 4.522 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586960386 BNJXVSKTOICSHB-MRVPVSSYSA-N 356.398 4.818 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(-c3ccccc3)nc1C)CC2=O 587474371 CSLIPFPZGVIZDC-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCOc1ccc(C[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522014 FTDBWTJDFSAHLH-HSZRJFAPSA-N 350.458 4.931 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587605122 XNEPNPSAVBDBIT-XUZZJYLKSA-N 372.420 4.894 0 1 FJAF Fc1cccc2[nH]c(-c3ccc4ccccc4c3)c(CN3CCOCC3)c12 587636802 JIXYDJKGQZNMPA-UHFFFAOYSA-N 360.432 4.959 0 1 FJAF COc1ccc(-c2cccc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)cc1O 587787562 VGRSNUKGUFGMSQ-UHFFFAOYSA-N 369.783 4.799 0 1 FJAF CCCc1ncc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587853065 KOHMLTFRHOESRK-JDNHERCYSA-N 369.303 4.621 0 1 FJAF Cc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1Br 587872613 PIWRJYWVPMQLJS-UHFFFAOYSA-N 373.181 4.554 0 1 FJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 587935804 JGECXKSORLXIHB-FVMDXXJSSA-N 368.330 4.567 0 1 FJAF FC(F)(F)[C@]1(Cc2ccccn2)NCCc2cc(-c3ccccc3)ccc21 962672386 XCKXCGPEJYEQLN-OAQYLSRUSA-N 368.402 4.895 0 1 FJAF CCc1ccc(COc2ccc(C3CN(c4cccnc4)C3)cc2OC)cc1 1857594137 UIEVVQCVJQXKAT-UHFFFAOYSA-N 374.484 4.835 0 1 FJAF Cc1cc(-c2nc(F)cc3c(Nc4ccc(F)cc4)c(N)oc23)ccn1 1857657041 ZKCBJMHZNBWPJL-UHFFFAOYSA-N 352.344 4.802 0 1 FJAF COc1ccc(C(=O)Oc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 2382250276 IFZNCBMTMOYKFR-UHFFFAOYSA-N 362.385 4.558 0 1 FJAF COc1ccc([C@@]2(C(C)C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 36387695 SVGXNRBFIDMVPD-GOSISDBHSA-N 365.351 4.544 0 3 FJAF C[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2cccs2)nc2ccccc21 95571437 VLQIPFLGKYPKHQ-CYBMUJFWSA-N 372.453 4.611 0 3 FJAF COCCCNC(=O)c1c(C(C)(C)C)noc1-c1cccc2ccccc12 2483363 XBLKNLFPUNZSLK-UHFFFAOYSA-N 366.461 4.559 0 1 FJAF O=C(O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc21 11536148 QEZMOSMYZHVULB-UHFFFAOYSA-N 356.834 4.580 0 1 FJAF Fc1ccc2c(c1)CCC1(CCN([C@H]3CCc4ccccc4C3)CC1)O2 13472086 QFHXIJAGZCPYPV-NRFANRHFSA-N 351.465 4.543 0 1 FJAF O=C(O)c1cc(C(=O)O)c2cc(-c3ccc(-c4ccccc4)cc3)ccc2n1 13473784 BUCHQWQCQPMDKW-UHFFFAOYSA-N 369.376 4.965 0 1 FJAF Fc1ccc(-c2cc(NCc3ccc(OC(F)(F)F)cc3)ncn2)cc1 82160809 DRUYBEJOZACUPY-UHFFFAOYSA-N 363.314 4.793 0 1 FJAF O=C(Nc1ccc(F)c(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1 96273815 JSMYZOGJVLHMQJ-UHFFFAOYSA-N 368.387 4.747 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@@H]2CC[C@@H]1C2 101253021 CCQPFCCZWSBRTL-QZIFFJIFSA-N 361.441 4.755 0 1 FJAF CCc1ncc(Cc2cc3ccccc3cn2)c2cc(OC)c(OC)cc12 145113456 DHYJBOZFUNOTHZ-UHFFFAOYSA-N 358.441 4.953 0 1 FJAF O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12 299821166 XVAVJGIUMJWANK-KOUNCHBCSA-N 370.496 4.765 0 1 FJAF COc1cccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c12 586995541 IMVFREKYWYZXLP-UHFFFAOYSA-N 361.239 4.648 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2ccc(F)c(Br)c2[nH]1 587066978 KCKCZPFAWQIDQH-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF Fc1cc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2cc1Cl 587120679 SHUWQIRQAQKYCP-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF Fc1ccc(-c2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)cc1F 587145624 OPMPKZDLYXJYDN-UHFFFAOYSA-N 350.324 4.904 0 1 FJAF N=C(N)c1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163111 HLANEPCGLIWSLA-XNTDXEJSSA-N 362.433 4.636 0 1 FJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587196373 TZILKMPYLVXJMO-SNVBAGLBSA-N 362.246 4.682 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccn1-c1cccc(Cl)c1)O2 587377402 HUCALACCZFIOLJ-LJQANCHMSA-N 352.821 4.728 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4cccc5c4c1CC5)[C@@H](C2)C3=O 587444628 FGCZNIWUJUCTPK-YADARESESA-N 356.421 4.610 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C(\C)N(C)C)(c1cccs1)CC2=O 587492733 CKVWBZTVJPMYTF-ZISLFAKRSA-N 371.502 4.732 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1sc(Cl)nc1Cl)CC2=O 587494655 MXXZRRXNGSQOPP-NSHDSACASA-N 358.246 4.815 0 1 FJAF O=C1C[C@]2(C=COc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587498075 CUHCQBJRSKLOQT-NRFANRHFSA-N 352.817 4.986 0 1 FJAF Cc1cc(Br)ncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500823 YHBSIKVXPSIOBX-QGZVFWFLSA-N 372.262 4.738 0 1 FJAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2CN(C)C)cc1F 587629658 WAXMRKFJAJYUFB-UHFFFAOYSA-N 350.796 4.837 0 1 FJAF CSC(C)(C)C[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587840107 JMCUEXRWDRXQHB-QLJPJBMISA-N 360.336 4.869 0 1 FJAF C[C@H](Cc1nc(-c2cccc(Cl)c2)cs1)NC(=O)OC(C)(C)C 587920665 MRGYKWQWWOHQRX-LLVKDONJSA-N 352.887 4.919 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587932133 UUUVJGWFPIABTA-NIVTXAMTSA-N 350.315 4.573 0 1 FJAF CN(C)C(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956310 WKUVSVWQSDJGAE-FQEVSTJZSA-N 369.468 4.639 0 1 FJAF Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CCCC3)O2 1857751161 RTBXQTQOIYLQKP-INIZCTEOSA-N 366.852 4.513 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3c(F)ccc(Cl)c3F)nc2c1 1911574269 ZMFJQRFOJVJVSO-XMMPIXPASA-N 371.707 4.996 0 1 FJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCC1 775480 CEFVISHMILMJPS-UHFFFAOYSA-N 356.466 4.710 0 1 FJAF CCCCCCC1=NOC[C@@]1(C)C(=O)NCc1ccc(C(C)(C)C)cc1 4215632 ZUKOTIVJYAIDRQ-JOCHJYFZSA-N 358.526 4.963 0 1 FJAF CCC(CC)(NC(=O)c1cccc(OC)c1C)C(=O)c1cc(C)cc(C)c1 13490020 ZMHWUNQHVGUBMQ-UHFFFAOYSA-N 367.489 4.792 0 1 FJAF O=Cc1nn(-c2ccc(F)cc2)c2c1CCC[C@H]2Cc1ccc(F)cc1 26568708 UHRJNFAUJIYDCS-HNNXBMFYSA-N 352.384 4.626 0 1 FJAF CC(C)(C)OC(=O)n1c(-c2ccc(/C=C/C(N)=O)cc2)cc2ccccc21 28822990 GNZNNFALCSHPDY-JLHYYAGUSA-N 362.429 4.590 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(c3ccccc3)C[C@H]2C1 36289104 NIKYPYAIHGCRMC-RCZVLFRGSA-N 358.529 4.865 0 1 FJAF C[C@H](NC1=NCCC1)c1cccc(OCCCCOc2ccccc2)c1 39369521 XNRQDULEASIGGM-SFHVURJKSA-N 352.478 4.768 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1cccnc1SCCc1ccncc1 64559289 OYHBSZGBZWXGLG-UHFFFAOYSA-N 369.877 4.717 0 1 FJAF O=C(NCCCc1ccccc1)c1cc(-c2ccc(C(F)(F)F)cc2)on1 72141539 RTEHDIOTWDLYGR-UHFFFAOYSA-N 374.362 4.723 0 1 FJAF CCn1c(=S)[nH]c2c(cc(-c3ccc(C)cc3)n2-c2ccccc2)c1=N 169313058 VYOMSYSCXAQZGS-UHFFFAOYSA-N 360.486 4.964 0 1 FJAF O=C(Nc1nsc2ncc(-c3ccc(O)cc3)cc12)C1CCCCC1 299821297 JUQADQJTBFYLNV-UHFFFAOYSA-N 353.447 4.583 0 1 FJAF Cc1oc2c(c1-c1nc3cc(Br)cc(F)c3[nH]1)C(=O)CCC2 586904383 UJQZHJJTNYOADF-UHFFFAOYSA-N 363.186 4.552 0 1 FJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2cc(C)c(Cl)cc2[nH]1 586973645 QBJAKXZGUKBFGY-GOSISDBHSA-N 373.909 4.635 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2ccnc(Br)c2[nH]1 587062891 XUXZNPOZEDDKKB-NSHDSACASA-N 366.646 4.904 0 1 FJAF Clc1ccc(C2(c3nc4ccc(Br)nc4[nH]3)CCC2)cc1 587076444 MFJAAIIZRXHLON-UHFFFAOYSA-N 362.658 4.844 0 1 FJAF FC(F)(F)Oc1cccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081668 YGQNDXHDBWXUCG-CYBMUJFWSA-N 354.715 4.791 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083543 YZOLETHLEUAGNC-UHFFFAOYSA-N 372.211 4.872 0 1 FJAF CC(C)[C@@H](c1nc2cc(C(F)(F)F)cc(Br)c2[nH]1)N(C)C 587199167 YEENAHTYAURZRF-LBPRGKRZSA-N 364.209 4.603 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)nc12 587239911 BJDSISZWWZSZBY-UHFFFAOYSA-N 374.828 4.639 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3ncc(C(F)(F)F)cc3[nH]2)cc1 587249468 AYGURKBMTLHQFF-UHFFFAOYSA-N 354.335 4.893 0 1 FJAF C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356746 RMKGNBOELMGJIJ-FYYLOGMGSA-N 362.400 4.892 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C1CC1 587602661 KRJJKOWGYLOZAZ-ZJSXRUAMSA-N 372.420 4.745 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1c(F)cc(F)cc1F 587658083 FKHSIUFHCSURHR-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)c(F)c2)N1 587720962 UPAMGDUYPHDAQL-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2ccc(F)c(F)c2[nH]1 587781588 AOLHMQJAIDWZIC-UHFFFAOYSA-N 352.340 4.793 0 1 FJAF CC(C)c1cc(OC(C)(C)C)n(-c2cccc(Br)c2N)c1O 587937647 UIPXHVWIBSAFFU-UHFFFAOYSA-N 367.287 4.828 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cncc(Br)c2[nH]1 587952188 MMYVBHBKPFTXLA-WDMOLILDSA-N 352.276 4.767 0 1 FJAF Cc1cc2c(cc1F)[C@](CCc1ccccc1)(C(F)(F)Cl)NCC2 962092357 NAFBBSNOOAAYSH-GOSISDBHSA-N 353.815 4.940 0 1 FJAF Cc1nn(-c2ccccn2)c2cc(-c3ccc([C@H]4C[C@H]4C(=O)O)cc3)ccc12 1772604449 ZOCRWTIQNIUCSG-WOJBJXKFSA-N 369.424 4.584 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ccccc3OC)c(C)nn12 3063596 XPNTXELFGKOQDL-UHFFFAOYSA-N 352.482 4.648 0 1 FJAF O=C(Nc1cccc(F)c1C(=O)O)c1cccc(Oc2ccccc2)c1 13611230 MUCVEZAGZUMXAG-UHFFFAOYSA-N 351.333 4.569 0 1 FJAF in-vivo Cc1ccsc1/C(=C\CCN1CCC[C@H](C(=O)O)C1)c1ccccc1 13827965 WGNCKAHIWOTHDS-LTUPMRBCSA-N 355.503 4.675 0 1 FJAF CCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18081896 SKFLRFBMDZILLG-CTNGQTDRSA-N 354.471 4.500 0 1 FJAF COc1ccc(-c2ccco2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938149 DZDZTLWCMKUMLO-REWPJTCUSA-N 362.473 4.538 0 1 FJAF CC[C@@H]1Cc2cc(OC(C)=O)ccc2-c2cc3ccc(OC(C)=O)cc3n21 29328098 CRJZYWXHYZTHBO-QGZVFWFLSA-N 363.413 4.666 0 1 FJAF CCN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 29412836 CAJALTAVRYNFRC-CHCWYRICSA-N 359.554 4.789 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34212573 RPIWNKCKNAVMOS-WBOFRZOCSA-N 359.554 4.739 0 1 FJAF C[C@H](c1cccs1)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 34894785 CJIWJJMKLTZWPN-XLIONFOSSA-N 367.514 4.848 0 1 FJAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)[C@@H](c1ccccc1)C1CCCC1 36188234 UXGYHPCEXONQIZ-IPJJNNNSSA-N 356.554 4.730 0 1 FJAF O=C(Nc1cccc(O)c1)c1c(O)ccc2cc(-c3cccc(O)c3)ccc12 40892784 JFOMBBOIWCMHKV-UHFFFAOYSA-N 371.392 4.876 0 1 FJAF in-vivo CC1=CC[C@H]2[C@H](CCC(=O)C2(C)C)[C@H]1COc1ccc2ccc(=O)oc2c1 238766755 QNYVPIIHDIDFPU-QYZOEREBSA-N 366.457 4.760 0 1 FJAF Clc1ccc(CN(CC2CNC2)c2ccc(Cl)c(Cl)c2)cc1 299827654 QABBWHVPVTUKOR-UHFFFAOYSA-N 355.696 4.873 0 1 FJAF C[C@@H](N)c1cccc(-c2cccc(COc3ccccc3CC(=O)O)c2)c1 584593986 MSYFKYPXROEHAC-MRXNPFEDSA-N 361.441 4.579 0 1 FJAF COc1cccc(-c2cc(F)c(NC(=O)Nc3cncs3)c(F)c2)c1 584904885 FLPJNPHNEKGCBD-UHFFFAOYSA-N 361.373 4.741 0 1 FJAF in-vitro COc1cc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)ccn1 587098998 XWMWLQIBXUHGSU-UHFFFAOYSA-N 366.420 4.749 0 1 FJAF CN1CCC[C@H]1[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103750 AHURWBDGJYFXCK-UWJYYQICSA-N 368.480 4.960 0 1 FJAF Cc1cc(F)c2[nH]c([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)nc2c1 587197760 MWJPHJZIVAJGNV-IBGZPJMESA-N 369.440 4.976 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1N(C)C(C)C)CC2=O 587469948 QRYLHKPIVPMWFB-NRFANRHFSA-N 353.462 4.896 0 1 FJAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccnn2C)c1 587516578 DFGSZBGUHYHMPI-HSZRJFAPSA-N 372.468 4.981 0 1 FJAF C[C@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549969 ULWSCSVLLQCKEE-WIYYLYMNSA-N 366.800 4.923 0 1 FJAF CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568072 COJNGCFOELQXKF-KNQAVFIVSA-N 364.372 4.798 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2c1CCCC2 587603625 QHKUZRYCOCONBN-URXFXBBRSA-N 372.420 4.974 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)c1C 587624265 IFVWHALRDIINIQ-UHFFFAOYSA-N 369.774 4.904 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(Cl)nc2Cl)[nH]c2cc(F)ccc12 587634496 HHRWGJVWTMFXJE-UHFFFAOYSA-N 371.170 4.992 0 1 FJAF Cc1[nH]c2cccc(F)c2c1Cc1ccc(I)cc1 587635733 QIWUWOHDAAVTIP-UHFFFAOYSA-N 365.189 4.811 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccnc(F)c1 587856490 WVVZTHPDRVCLOG-UHFFFAOYSA-N 352.196 4.779 0 1 FJAF Cc1c(F)ccc2c1[C@](c1ccncc1)(c1ccc(Cl)cc1)NCC2 962093915 QQSGVDISRFYJOO-OAQYLSRUSA-N 352.840 4.620 0 1 FJAF CN(C)c1ccc(CCC[C@H]2C(=O)Nc3ccc(C(F)(F)F)cc32)cc1 1772656450 BJSZCSUWIMZZNB-MRXNPFEDSA-N 362.395 4.830 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@@H](O)CC(=O)OC 2356829612 JAGYGWPYZGEFSW-BPBCIEFSSA-N 368.558 4.797 0 1 FJAF OC[C@@H]1[C@@H](c2ccccc2)C(c2cccc(Cl)c2)=NN1c1ccccc1 13813609 LPIDPZNMVVBJHZ-NHCUHLMSSA-N 362.860 4.709 0 3 FJAF aggregator C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61907537 DPSPVNJGCCAOIY-FQEVSTJZSA-N 368.408 4.892 0 3 FJAF Cc1ccsc1C(=CCCN1CCC=C(C(=O)O)C1)c1sccc1C 13827928 BZJIUHVFEOECMD-UHFFFAOYSA-N 373.543 4.965 0 1 FJAF C=C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26482032 MQSPPOHAJUFGCG-RPZPBAIQSA-N 364.485 4.835 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1ccncc1 29046757 RJHSHBLFZBDOTN-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF CCOC(=O)c1ccc(-c2c3ccccc3nn2Cc2ccccc2)cc1 29064080 XKZXAIOXAYGVMW-UHFFFAOYSA-N 356.425 4.928 0 1 FJAF Fc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ncnc3[nH]ccc23)cc1 95574648 FMVKIPNKXJXTQK-UHFFFAOYSA-N 355.376 4.821 0 1 FJAF O=C(Nc1nc(C(F)(F)F)cs1)c1cccc(Oc2cccnc2)c1 96939165 YSMKZZMJWLWAEA-UHFFFAOYSA-N 365.336 4.602 0 1 FJAF Cc1c(Sc2ccccc2)[n+](=O)c2cc(Cl)c(Cl)cc2n1O 137609702 USUKCWFZSUSDHK-UHFFFAOYSA-N 354.238 4.560 0 1 FJAF CC(=O)O[C@H]1C2=CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]2CC[C@@H]1C(C)C 238734450 QSFKOXOLMLLFAI-MSXUYQLKSA-N 362.510 4.828 0 1 FJAF Fc1cc(Br)c2[nH]c([C@@H]3C[C@@]34CCc3ccccc34)nc2c1 586890487 QCDAIDNNRXPAGV-SCLBCKFNSA-N 357.226 4.836 0 1 FJAF Cc1cc2nc(-c3c(C)oc4c3C(=O)CCC4)[nH]c2cc1Br 586902720 FNYACYQNMUTRRN-UHFFFAOYSA-N 359.223 4.721 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586964115 UZKJTYUQVOINGJ-GFCCVEGCSA-N 369.277 4.917 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]([C@@H]1CCOC1)CCC3 586991883 QPBFOPSTZGEZIZ-ZIAGYGMSSA-N 371.436 4.608 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)s1 587014899 SYFWYWYSENPTGI-ZETCQYMHSA-N 357.266 4.794 0 1 FJAF Cc1cnc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c1 587121904 HEEHWIQXEZZTBK-UHFFFAOYSA-N 353.369 4.598 0 1 FJAF Fc1cncc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)c1 587177060 MWZQLJRCHCLWIT-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Cl)c(Cl)cc1F)O2 587380732 CIAJHRMTDLVQKY-QGZVFWFLSA-N 354.208 4.904 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccco1)(c1ccc(Cl)s1)O2 587410485 NQOYQXNKJPXLHN-SFHVURJKSA-N 359.834 4.794 0 1 FJAF CCCCCOc1cccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443993 XRLPOLINMAIVEG-GCJKJVERSA-N 352.430 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@H](C)N(C)C)cc1)CC2=O 587467109 CLNHALSVVPITCA-QKKBWIMNSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1[nH]c1ccc(C)cc31)CC2=O 587484823 NSIVBJHVEGUDPG-QHCPKHFHSA-N 361.441 4.941 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(C)C)c(OC)c1)CC2=O 587485653 QCYOVBWYMHWLRH-FQEVSTJZSA-N 370.445 4.847 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cnccn3)c1)CC2=O 587488331 IVEAVMZWGDXFEC-OAQYLSRUSA-N 360.413 4.508 0 1 FJAF O=C1C[C@@H](c2cc(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587505561 LXEYPUNYTWWPJU-HNNXBMFYSA-N 350.311 4.828 0 1 FJAF O=C1C[C@H](c2ccc(N3CCCC3)s2)Oc2c1ccc1c2CCCC1 587529792 BWXJTYGKHVEBTF-GOSISDBHSA-N 353.487 4.934 0 1 FJAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603026 KMCLTJAXSKEGMJ-ZZWMCLIVSA-N 364.441 4.795 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2OC1(C1CCC1)C1CCC1 587603518 PZSUBTWVNGYSRS-IBGZPJMESA-N 350.414 4.693 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587726174 VTTVAWGCTTXPMA-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2ccccc2F)N1 587731764 ZRHXJPPKCIGAAP-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587732490 NLZZUKROKFCFSV-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)cc1 587934602 FGFLPHZTINYHRD-UHFFFAOYSA-N 371.440 4.607 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3ccccc3C2=O)c(Cl)c1 653723884 DPNKKEVPAFIVKW-UHFFFAOYSA-N 366.804 4.654 0 1 FJAF Cc1c(F)ccc2c1[C@@H](c1cn(-c3ccccc3)nc1C(C)(C)C)NCC2 962091264 JUBBFTHWUPFHET-OAQYLSRUSA-N 363.480 4.852 0 1 FJAF COc1ccc2c(c1OC)[C@H](c1ccc(-c3ccco3)o1)N(C)[C@@H](C)C2 962618132 BPFQJTOEIJSCQS-RBZFPXEDSA-N 353.418 4.523 0 1 FJAF CC1(C)[C@@H]2CC[C@]3(C)Oc4c(C(=O)c5ccccc5)c(O)cc(O)c4[C@@H]1[C@H]23 2356549461 CDDSLAQEAHDJRA-YECIBEDOSA-N 364.441 4.630 0 1 FJAF O[C@@H](Cc1ccccc1)[C@@H](/C=C/c1ccccc1)NCCc1ccccc1 199724635 UNDDMQPNYBZNHS-KLXHEQSOSA-N 357.497 4.504 0 3 FJAF CCOc1ccc(-c2onc(C(C)(C)C)c2C(=O)N[C@H](C)C(C)C)cc1 775958 FITZUYXMXZSWSU-CQSZACIVSA-N 358.482 4.812 0 1 FJAF COc1ccc(Nc2nc(-c3c(C)nc4cc(C)ccn34)cs2)cc1 2502162 SDHXUHXUTAQFOG-UHFFFAOYSA-N 350.447 4.827 0 1 FJAF CC1(C)C=Cc2c(O)c(C(=O)c3ccccc3)c3c(c2O1)C=CC(C)(C)O3 13376342 PLDOASCNEBDSKY-UHFFFAOYSA-N 362.425 4.992 0 1 FJAF biogenic COc1ccc(C2=NN(C(=O)c3ccc(Cl)c(Cl)c3)CCC2)cc1 13744708 JCQVNHZHSDWZDJ-UHFFFAOYSA-N 363.244 4.642 0 1 FJAF CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2ccc(F)cc2O1 59261856 UGNRNJDBLIKGQC-GOSISDBHSA-N 365.408 4.798 0 1 FJAF CC(C)CCOc1ccc2c(c1)[C@H]1OCCC[C@H]1[C@@H](C1CCOCC1)N2 95589119 DTQWCHXPSGNTKM-BWAGFHJFSA-N 359.510 4.800 0 1 FJAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 100728285 QGPBRSDGYQTSKG-CWJKEVGVSA-N 369.892 4.820 0 1 FJAF CCCCCN(C(=O)COc1onc(C(F)(F)F)c1C)c1ccccc1 103189800 VNAWKRDSKXJHSZ-UHFFFAOYSA-N 370.371 4.604 0 1 FJAF Cc1cc(F)ccc1Oc1cc(Cl)ccc1C(=O)Nc1cc[nH]c(=O)c1 143164950 FZRXMWNNMIDCAX-UHFFFAOYSA-N 372.783 4.520 0 1 FJAF Cc1cccc(F)c1Oc1cc(Cl)ccc1C(=O)Nc1cc[nH]c(=O)c1 143189180 KGNADFFDVVNWDF-UHFFFAOYSA-N 372.783 4.520 0 1 FJAF CN1C[C@@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@@H]2CCCC[C@@H]21 169296534 DSUFLXVZHYLIGK-GVAUOCQISA-N 373.496 4.925 0 1 FJAF CC(=O)O[C@@H]1CC/C(C)=C/C=C(/C(C)C)CC[C@](C)(O)[C@H]2CC[C@]1(C)O2 238741222 DPTKQCRAINPRHK-HDJUXCIKSA-N 364.526 4.710 0 1 FJAF Clc1cnc2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587041281 MGNYZKJDZBFPGX-UHFFFAOYSA-N 363.895 4.669 0 1 FJAF N=c1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c2c[nH]1 587082339 LFJUGXWARGBFPR-UHFFFAOYSA-N 371.831 4.906 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cccc(Cl)c2[nH]1)C(C)(C)C 587204413 JNDJDHKIWVUOBS-CYBMUJFWSA-N 351.878 4.698 0 1 FJAF COc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1C 587241760 HYEINOKUPTYWQE-UHFFFAOYSA-N 351.450 4.922 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(O)cc4)c1)[C@@H](C2)C3=O 587451211 QHFJUWRQBDOMID-CVDCTZTESA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)cncc1Cl)CC2=O 587463227 UAWQWJQMLCZSQS-OAHLLOKOSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccnc(Cl)c1Cl)CC2=O 587463307 WKWMEBXEXXZARI-CQSZACIVSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc(NC(=O)CC)c1)CC2=O 587472287 ZWUJDKAWLGOMAP-JOCHJYFZSA-N 367.445 4.574 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCCC3)o1)CC2=O 587473892 CSLNCXOXHBDYSU-IBGZPJMESA-N 355.434 4.635 0 1 FJAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587521623 ISWHLQMUJPVQGX-JOCHJYFZSA-N 366.457 4.553 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587777607 BSNATCZSMCXFSO-UHFFFAOYSA-N 352.221 4.729 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cccnc3c2)N1 587778413 MZCMDBMNLOHXHB-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1cc(C)cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587811580 WHORTFDBOBHUCX-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3)CC2)N1 587821403 UUIQXDRFIDFWCG-KZULUSFZSA-N 360.270 4.895 0 1 FJAF Cc1cc2c(n1-c1cc(Br)cnc1Br)CCCC2 587940946 QNTFMBJBHUFXIG-UHFFFAOYSA-N 370.088 4.585 0 1 FJAF COc1ccc2c(c1OC)[C@@](C)(C(C)(C)c1ccc(F)cc1)N(C)[C@H](C)C2 962642429 UPUZATZOMZMJOR-CMJOXMDJSA-N 371.496 4.912 0 1 FJAF COc1cccc(F)c1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772593048 BVNKXRJRIMRCSG-AWEZNQCLSA-N 357.406 4.564 0 1 FJAF Cc1cc(Cc2cc(-c3ccccc3)on2)cc(C)c1OC(C)(C)C(=O)O 1857577258 XITCPDHPOZOQKK-UHFFFAOYSA-N 365.429 4.791 0 1 FJAF Cc1nc(-c2ccccc2)cc([C@H]2COC3(CCCCC3)O2)c1C(=O)O 1857618931 RTQJWVVDUXVHRU-GOSISDBHSA-N 353.418 4.504 0 1 FJAF CCN(CC)c1cc(C)c2cc(N(C)C(=O)/C=C/c3ccco3)ccc2n1 2382234566 ZBUHKLKEVAEMGM-ZRDIBKRKSA-N 363.461 4.659 0 1 FJAF CCCC[C@H]1CC2=C(C(=O)OC(C)(C)O2)[C@H](c2ccc(Cl)cc2)O1 72138251 IGBHDJDWQNUBBT-YOEHRIQHSA-N 350.842 4.924 0 3 FJAF COc1ccccc1Nc1ncc(C(=O)N2CCCCC2)c2ccccc12 2459443 NNNMKHWCSKNBPO-UHFFFAOYSA-N 361.445 4.613 0 1 FJAF N=C(NCCCCCCCCNC(=N)c1cccs1)c1cccs1 13648234 CVNCVQRPELQVKP-UHFFFAOYSA-N 362.568 4.680 0 1 FJAF Cc1cc(C)c2nc(-c3ccc(F)cc3)cc([C@@H](O)[C@H]3CCCCN3)c2c1 27523657 LOBARGVNXYZDTC-NFBKMPQASA-N 364.464 4.833 0 1 FJAF CCOc1ccc(-n2cnc3cc(NCc4ccc(CC)cc4)cnc32)cc1 43203158 JADAFHJMBASJLK-UHFFFAOYSA-N 372.472 4.994 0 1 FJAF O=C(O)c1c(O)c(C2(c3ccccc3)CC2)nc2c(C(F)(F)F)cccc12 58568849 KTPGQSXLTNRPNH-UHFFFAOYSA-N 373.330 4.737 0 1 FJAF Cc1ccc(Cc2ccc(-c3nc4cc(C(N)=O)ccc4[nH]3)cc2)cc1C 116022264 OAYRJLWIHXDYME-UHFFFAOYSA-N 355.441 4.536 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c(C)s2)cc1 587013196 JUHMOFCLLDDSSI-UHFFFAOYSA-N 367.405 4.808 0 1 FJAF COc1cc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2cc1F 587020259 KNQHLHRZLWBQAQ-UHFFFAOYSA-N 369.421 4.722 0 1 FJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cnc(Cl)[nH]c-4n3)c2)c1 587050356 PGMIPGGHXFMVLI-UHFFFAOYSA-N 369.211 4.758 0 1 FJAF Nc1c(F)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587103227 INBKHXROHOINMB-UHFFFAOYSA-N 358.347 4.974 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587109954 YEKLHGNMUIRYRG-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587158463 MRNVZPYBLWBGLS-UHFFFAOYSA-N 374.371 4.620 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(C)cc1OC)CC2=O 587484283 XOILECFJGUEUHD-JOCHJYFZSA-N 354.446 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CCCC(=O)O)(c1cccs1)CC2=O 587493861 IGACREGDFYCUCR-FQEVSTJZSA-N 374.458 4.522 0 1 FJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1OC 587498129 MAMZLSHIPHONSH-GOSISDBHSA-N 372.848 4.943 0 1 FJAF O=C1C[C@]2(COc3ccc(Cl)cc3C2)Oc2c1ccc1c2CCCC1 587499143 HNSSKNLGGYNRJU-OAQYLSRUSA-N 354.833 4.558 0 1 FJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587509799 WSOPAOZHJWRISG-GOSISDBHSA-N 374.383 4.882 0 1 FJAF CC(C)n1ncc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587517639 ROJZHWIWWKVVDK-HXUWFJFHSA-N 361.445 4.598 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccccc1Cl 587545527 GYOXLMYNLTUMPW-RBUKOAKNSA-N 366.800 4.619 0 1 FJAF Cc1cccc2c1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602457 HUJBGOGPXOPHGN-OFNKIYASSA-N 358.393 4.504 0 1 FJAF CCn1ncc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)c1C 587623885 BPMBWZKDIZRIIX-UHFFFAOYSA-N 351.784 4.769 0 1 FJAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)c(Cl)c1 587632723 JFJTYLDKYSYGFZ-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587720935 UHMCUUFSMUMBRA-HUTHGQBESA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2F)N1 587725903 SSKJFJKUVLLXSR-XYZCENFISA-N 370.212 4.664 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587748328 WFXKYCJKBJHJDI-ZMZPIMSZSA-N 359.242 4.937 0 1 FJAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCCC(=O)Nc2ccccc2)cc1 653767626 LACWJXZWFFIAMA-GOSISDBHSA-N 366.505 4.524 0 1 FJAF COc1ccc2c(C)c([C@]3(C)NCCc4cc(C)c(F)cc43)oc2c1OC 962150418 ZGRKHFFPLIUKJX-JOCHJYFZSA-N 369.436 4.615 0 1 FJAF C[C@@]1(C2CCC3(CC2)OCCO3)NCCc2cc(-c3ccccc3)ccc21 962665952 RTTXZRFAGBLSIV-QHCPKHFHSA-N 363.501 4.648 0 1 FJAF c1ccc(C(c2ccccc2)c2nnc(Cc3nc4ccccc4[nH]3)o2)cc1 1772632118 OSHRLMBZRPMAQZ-UHFFFAOYSA-N 366.424 4.717 0 1 FJAF CC(=O)CCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1C(=O)O 2356405849 GITAQGNGLWXMTE-OKZBNKHCSA-N 354.487 4.519 0 1 FJAF CNCc1c(OC)cc(Oc2cccc(Nc3ccccc3)c2)cc1OC 2382244909 NRHRJCHAUTWCBX-UHFFFAOYSA-N 364.445 4.959 0 1 FJAF CCCc1nc2c(C)cc(Br)cn2c1Cc1ccccc1OC 199371781 ACXDFHDKFXZYBL-UHFFFAOYSA-N 373.294 4.957 0 3 FJAF Cc1c/c(=N\C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2[nH]1 35049757 OMRPQZYPNNVSRE-UHFFFAOYSA-N 361.323 4.508 0 1 FJAF COc1ccc(Cn2c([C@@H]3CCCN(C(C)C)C3)nc3ccccc32)cc1 49072940 BUNJVHAEMQLYJI-LJQANCHMSA-N 363.505 4.681 0 1 FJAF Clc1ccc(CO[C@@H](CCn2cncn2)c2cccs2)c(Cl)c1 71318642 UMFMFYYCJMWUKZ-HNNXBMFYSA-N 368.289 4.995 0 1 FJAF COc1ccc(C2=NO[C@@H](CC(=O)Oc3cc(C)ccc3C(C)C)C2)cc1 82154917 YZWPLPYRHPWZBP-GOSISDBHSA-N 367.445 4.616 0 1 FJAF Cc1cc(NCCCNc2ccnc3cc(Cl)ccc23)nc(Cl)n1 84689598 JNZFUVGWXJPSKL-UHFFFAOYSA-N 362.264 4.554 0 1 FJAF CC(=O)OC[C@@]12CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)O 85669499 AIXFHEQYDFHUMC-SPPOGVHBSA-N 374.477 4.619 0 1 FJAF CCOC(=O)C1=CC[C@@H](c2ccc3ccccc3n2)[C@@H]1C(=O)c1ccccc1 95868004 FZHCSSDXSQDOLK-AVRDEDQJSA-N 371.436 4.711 0 1 FJAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccc(C)cc1C)S3 98085388 TWGFLJIJWOXYBR-UHFFFAOYSA-N 362.458 4.768 0 1 FJAF Cc1ccc(OC(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 261157528 QGPBRSDGYQTSKG-PMXSJFBMSA-N 369.892 4.820 0 1 FJAF COc1cc2nc(C)c(-c3ccc(OC)c(F)c3F)c(O)c2cc1Cl 299821568 KXGQXQABBBNBFN-UHFFFAOYSA-N 365.763 4.865 0 1 FJAF Cc1cccc2nc(N3CCCCC3)nc(NCc3ccc(F)cc3)c12 299832675 KDLBJDPZJGGFEZ-UHFFFAOYSA-N 350.441 4.680 0 1 FJAF Nc1ccc(-c2ccc3nc([C@]45CCC[C@@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1N 586883900 MRPAJYKMLVIGCS-JHQQDIAJSA-N 358.489 4.862 0 1 FJAF CCOC(=O)c1ccc2nc(CCCCCCCCCCCO)[nH]c2c1 586894714 RQPMUHHQMMIMAG-UHFFFAOYSA-N 360.498 4.785 0 1 FJAF O=Cc1ccc(OCc2occc2-c2nc3cccc(Cl)c3[nH]2)cc1 586900399 JFSUSQYWUSBYPL-UHFFFAOYSA-N 352.777 4.868 0 1 FJAF Nc1ccc(-c2nc3cc(F)cc(Br)c3[nH]2)c(C(F)(F)F)c1 587095564 KZFWXWSMBIBPHK-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF CCOC(=O)c1ccc2nc(C3CC(F)(c4cccc(F)c4)C3)[nH]c2c1 587131657 QYYQALVCQIUECD-UHFFFAOYSA-N 356.372 4.621 0 1 FJAF Fc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)c(F)cc4[nH]3)c2c1 587173894 AHFQEZSORURSMY-UHFFFAOYSA-N 351.278 4.932 0 1 FJAF COc1cc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2cc1C 587225476 KXIIWMHZVWTDKU-KRWDZBQOSA-N 359.470 4.636 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3c(Br)cccc31)O2 587372770 REAYMQCXSQVHCL-LJQANCHMSA-N 372.262 4.537 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(Cl)c1Cl)CC2=O 587463306 WKWMEBXEXXZARI-AWEZNQCLSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1oc3ccccc3c1N)CC2=O 587473328 RYNDWUONBIKSJD-OAQYLSRUSA-N 351.402 4.554 0 1 FJAF C[C@@]1(c2cccc3cc[nH]c23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588009 IYHHEBGEDDLKJV-CVDCTZTESA-N 371.392 4.751 0 1 FJAF CC(C)c1ncc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610739 HCTBNLHWRDWQAE-LPHOPBHVSA-N 367.426 4.675 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2)N1 587693369 DOXUWVGLIHVKDR-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(Cc3ccc(OC(F)(F)F)cc3)n1)O2 587874140 QTTROQSJGWMKEI-UHFFFAOYSA-N 350.271 4.742 0 1 FJAF Cc1nc2nc(-c3ccc(OC4CCC4)cc3)[nH]c2cc1Br 587952019 WGTAIFGRADUVBY-UHFFFAOYSA-N 358.239 4.627 0 1 FJAF Cc1ccccc1NC(=O)Nc1ccc(-c2ccnc3[nH]nc(C)c23)cc1 1772593762 DCWWCTSCXLTWIE-UHFFFAOYSA-N 357.417 4.886 0 1 FJAF CC(C)=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(Cl)cc1)O2 1857767510 HPGFOSNGRXTVIA-QGZVFWFLSA-N 358.821 4.966 0 1 FJAF COc1ccc(/C=C/c2c(C)nc(C)c3c2COC(C)(C)O3)cc1OC 2382218508 QCOQIVURRZTYTM-VQHVLOKHSA-N 355.434 4.531 0 1 FJAF C[C@H](CN1CC[C@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1 13475610 LMKGEGFYXCALHV-OUPRXKBMSA-N 365.517 4.774 0 1 FJAF Cc1cc(C)c(C(=O)N[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1C 13684692 RIHQERSJRHVRIQ-FQEVSTJZSA-N 358.913 4.688 0 1 FJAF Cc1ccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)cc1 29043681 ZSSACRPYNVFTRY-UHFFFAOYSA-N 354.797 4.654 0 1 FJAF CC[C@H](C)Nc1nncc2cc(-c3c(C)ccc4c(NC)noc34)ccc12 40429404 LIQUKCBVEIEJGE-ZDUSSCGKSA-N 361.449 4.999 0 1 FJAF COc1ccc(CSc2nnc(-c3ccc4c(c3)CCO4)o2)cc1Cl 40892551 APGBAJRVDDZEKF-UHFFFAOYSA-N 374.849 4.626 0 1 FJAF CC(C)CCn1cc(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 64447167 YPORHIVAVADDME-UHFFFAOYSA-N 360.457 4.526 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O 86037212 SPGPUDJMXMJNCU-FHWLQOOXSA-N 368.514 4.909 0 1 FJAF biogenic CC(C)C[C@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105481255 UIXOARAAEKCNHD-UQASEVPWSA-N 372.468 4.975 0 1 FJAF O=C(Nc1ccc(Cl)cc1C(=O)O)c1cccc(-c2ccccc2)c1 113785030 AWEBQXBJTFVNOH-UHFFFAOYSA-N 351.789 4.958 0 1 FJAF COc1c(Cl)ccc(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 114427169 NYMRJNXEXQNOKZ-OAHLLOKOSA-N 350.245 4.809 0 1 FJAF COc1ccc2c(c1)cc(C)n2-c1ccc(C(N)=O)c(Nc2ccccc2)c1 143651533 LPILTXGCEFBKCP-UHFFFAOYSA-N 371.440 4.790 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H](COCCCc2ccccc2)[C@H]2CC[C@H]1O2 169321649 WOGCVPJHUOMABS-IDRFRBGASA-N 372.505 4.631 0 1 FJAF CCOP(=O)(OCC)c1cc(-c2ccccc2)nc(-c2ccccn2)c1 238809429 SQEVPMUXIVTODA-UHFFFAOYSA-N 368.373 4.702 0 1 FJAF COc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586976979 JFODRWKNLWGSTO-UHFFFAOYSA-N 367.630 4.566 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ccc(F)cc1 586987304 CUMGLPDIJIPZEM-MRXNPFEDSA-N 367.379 4.979 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587013371 MVJSDWWLFHQTMN-UHFFFAOYSA-N 360.792 4.724 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cc(Cl)cc(F)c2[nH]1 587109769 UFSUKZVVJUKOFQ-UHFFFAOYSA-N 358.678 4.739 0 1 FJAF COc1ccc(Cc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c(F)c1 587149304 QIASUFZVWVASHZ-UHFFFAOYSA-N 374.721 4.853 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)CC2)Nc1cccc(C(F)(F)F)c1 587210193 IZKKRVRICLKJFR-UHFFFAOYSA-N 356.347 4.533 0 1 FJAF O=C1c2ccc(O)cc2O[C@@](CF)(c2ccccc2)[C@H]1c1ccc(F)cc1 587334168 XOMBFXQYQUPSHT-UNMCSNQZSA-N 366.363 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(C(F)(F)F)c1Cl)O2 587380365 DMIXGQQCVUKMAL-AWEZNQCLSA-N 355.743 4.956 0 1 FJAF CCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCCC)c1 587399498 KKJCFXCQSASTPA-NRFANRHFSA-N 369.461 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccsc1Br)CC2=O 587494617 MQJVTUCSFWIZLH-AWEZNQCLSA-N 367.264 4.875 0 1 FJAF Cc1cccnc1-n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513385 RWDYQJLOSPBJDN-OAQYLSRUSA-N 358.441 4.766 0 1 FJAF COc1cc(C)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587527556 WUYIOHNPHSUSRY-LJQANCHMSA-N 352.430 4.603 0 1 FJAF CC[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604155 UQIVKXRFBILDFN-AYPBNUJASA-N 360.409 4.916 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@H]3CC[C@@H]2C3)N1 587819140 LJLAMZPFVKMURF-HZKOEDQFSA-N 352.291 4.774 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCc2ccc(O)cc2)N1 587834990 UVJHKCUKLBEIAH-VOJFVSQTSA-N 364.258 4.502 0 1 FJAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CCCC2)c1 587932587 GVYZZPIKJDRNAY-UHFFFAOYSA-N 364.445 4.593 0 1 FJAF C=C(/C(C)=C/c1ccc(OC)c(O)c1)c1cc(OC)c(OC)c(OC)c1 1772616689 GYGNSHHICNFMQR-UKTHLTGXSA-N 356.418 4.543 0 1 FJAF Cc1c(F)c(Oc2ccccc2)nc(Oc2cccc(C(=N)N)c2)c1F 13473983 SZLVLFLVQNHHRF-UHFFFAOYSA-N 355.344 4.537 0 1 FJAF C/C(=C\c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)OCCO2 13606875 CQUMFSWBDOURQZ-FYWRMAATSA-N 351.446 4.797 0 1 FJAF C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(Cl)nn3)ccc2o1 13674340 SFPZZAHVVRDDMP-CQSZACIVSA-N 370.884 4.515 0 1 FJAF CC(C)[C@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@H](C1)N2C 28107800 RYSIGTFHFNVXDG-ONYGOOLBSA-N 367.942 4.625 0 1 FJAF O=C(O)c1ccccc1-c1ccc(CCc2ncc(CC3CCC3)[nH]2)cc1 49036215 WQAANMZRUFVVIE-UHFFFAOYSA-N 360.457 4.903 0 1 FJAF Cc1c(C(=O)CCc2ccccc2)oc2cccc(OC3CCNCC3)c12 95555459 ZUAGYVKWPGUWFU-UHFFFAOYSA-N 363.457 4.688 0 1 FJAF in-vitro Cc1cc(=O)oc2cc(Oc3ccc(NC(=O)c4ccccc4)cn3)ccc12 98084086 MBYJFBMAIIQCAS-UHFFFAOYSA-N 372.380 4.541 0 1 FJAF COc1ccc(OC)c(NC(=O)C2[C@H]3CC/C=C\CC/C=C/CC[C@@H]23)c1 100744517 VHTCQRPKUANPBY-YZSXADSLSA-N 355.478 4.971 0 1 FJAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 101929989 OQQNORJKJULDQV-ZDUSSCGKSA-N 372.519 4.692 0 1 FJAF CC(C)N1Cc2cc(-c3cc(-c4ccc(F)cc4F)no3)ccc2C1=O 299857682 OWZJHJPTKMCRHO-UHFFFAOYSA-N 354.356 4.651 0 1 FJAF Cc1c(Cl)ccc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587007741 QHBMFUQXRYJCHN-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF Cc1cc(Br)cc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587018303 YIRMDUDTQKXOLJ-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OCCO3 587067146 VLZZQFFBNHTNQJ-UHFFFAOYSA-N 365.820 4.754 0 1 FJAF Cc1c(Br)ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115544 PGAMJUJZLGTNHS-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF COc1c(F)cc(-c2nc3cc(C)c(Br)cc3[nH]2)cc1F 587134463 GPKQZUBMABSGMA-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF Fc1c(F)c(F)c(/C=C/c2nc3c(F)cnc(Cl)c3[nH]2)c(F)c1F 587134472 LTQPWCJCZLQORS-OWOJBTEDSA-N 363.648 4.616 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)nc1 587339381 QDUIDOPGMMCJOP-IFMALSPDSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CC3(CCCCC3)Oc3ccccc31)O2 587407781 JBKLZSBGEZJVQF-QHCPKHFHSA-N 363.457 4.923 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OC4CCCC4)c1)[C@@H](C2)C3=O 587443037 NXUVERQPCCKFOG-AVRDEDQJSA-N 350.414 4.505 0 1 FJAF C[C@@]1(c2occc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587494902 AYEQGEIVDWAZNI-SFHVURJKSA-N 361.235 4.802 0 1 FJAF Cc1cc(C)cc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)c1 587564616 MPDXZYPXBQORLR-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF CC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568047 KDHVVALFMQFSBN-KNQAVFIVSA-N 364.372 4.798 0 1 FJAF CC[C@@]1(c2ccc(F)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568074 COJNGCFOELQXKF-UGKGYDQZSA-N 364.372 4.798 0 1 FJAF C[C@]1(C[C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603689 QWKFSXZCCFABKB-IUSCPVFCSA-N 364.441 4.939 0 1 FJAF Fc1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587780667 FVCVDNDREKQHRJ-QPJJXVBHSA-N 361.214 4.695 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2coc3ccccc23)N1 587828774 OWIKRQGQVBTISC-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587931296 RTQYVXDDKBIMFB-UGSOOPFHSA-N 362.351 4.915 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4Cc5snnc5[C@@]4(C)CC[C@@H]32)C1 653697127 SRBJZXQLMVBVQA-DVDBFJQTSA-N 374.550 4.526 0 1 FJAF CCC1(C)CCC2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962657427 BQXTVFXYKXDTNW-VNXZQDSDSA-N 366.505 4.519 0 1 FJAF COc1cccc(-c2nc(Nc3ccc(F)c(F)c3)c3cccnc3n2)c1 1772631607 IZBGCQHOOQPKTH-UHFFFAOYSA-N 364.355 4.722 0 1 FJAF CCCC[C@H](C(=O)N(CC)c1ccccc1)[C@@H](O)c1ccc(C(C)=O)cc1 203466817 FUOLAWABCYMZLK-VXKWHMMOSA-N 367.489 4.782 0 3 FJAF COc1ccccc1CNc1ccnc(-c2ccccc2C(F)(F)F)n1 4268378 REZCMAUNHFSXNS-UHFFFAOYSA-N 359.351 4.783 0 1 FJAF CC(=O)OCC[C@@]1(C)CC=C2[C@@H](CC[C@@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640187 IIPCIWPAEHRPHF-OAVQTBGQSA-N 362.510 4.973 0 1 FJAF O=C(CSc1snnc1-c1ccccc1)Nc1ccccc1Cl 40864747 BEMYFBNOYZZBEW-UHFFFAOYSA-N 361.879 4.589 0 1 FJAF Nc1ncnc2cc(-c3cccc(NC(=O)Nc4ccccc4)c3)sc12 45230981 XVURXSNXKLZHKP-UHFFFAOYSA-N 361.430 4.585 0 1 FJAF CCCCNc1nc(NCC2CCCCC2)nc2cc(OC)c(OC)cc12 82129752 JQRCRRYJSCHOPA-UHFFFAOYSA-N 372.513 4.851 0 1 FJAF COC(=O)/C(=C\c1ccc(O)cc1)Sc1ccnc2cc(Cl)ccc12 205483361 RZJMJCGMRASOSP-VCHYOVAHSA-N 371.845 4.900 0 1 FJAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Nc1ccc(Cl)cc1 299861687 IPNNUMVOPDBBET-UHFFFAOYSA-N 371.849 4.811 0 1 FJAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2ccnc(O)c2[nH]1 586981444 CSLPFFDMGGCHKQ-ZDUSSCGKSA-N 374.282 4.798 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c1 586981986 GSEKDSILNYYANC-UHFFFAOYSA-N 371.568 4.737 0 1 FJAF Cc1nn(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)c(C)c1Cl 587065569 SDGJJNWJBSGEDQ-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF Cc1cc(Cl)ccc1OCCCc1nc2cc3c(cc2[nH]1)OCCCO3 587066370 MCSHTSXUTRUECC-UHFFFAOYSA-N 372.852 4.698 0 1 FJAF Clc1cc2ccc(-c3nc4c(Br)ccnc4[nH]3)cc2cn1 587085513 XGVASJIPGJIPTK-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CCOC(=O)C[C@@H]1CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587108206 XBPKZVYHUZTEOE-CQSZACIVSA-N 371.436 4.504 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc(C(C)(C)C)cc2[nH]1 587118053 ZSKVDLLZVJJOPX-UHFFFAOYSA-N 356.779 4.933 0 1 FJAF FC(F)(F)c1cc(C2CC2)n(Cc2nc3cc4ccccc4cc3[nH]2)n1 587118438 NLUJMUCJKMEMDW-UHFFFAOYSA-N 356.351 4.857 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(CO)cc4[nH]3)ccc2F)cc1 587139412 IOFPUCBXZMXJBJ-UHFFFAOYSA-N 360.388 4.731 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)cc(F)c2[nH]1 587149344 FGNKTKXIJGZCSD-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF CCCCc1nc2cccc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c2o1 587394597 ILEOZWSJCBJCLJ-JOCHJYFZSA-N 364.445 4.942 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCC[C@H]1Cn1ccnc1)CC2=O 587471177 OLMJJPUKXCIHDJ-AOMKIAJQSA-N 368.477 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3ncccn3)c1)CC2=O 587488337 IVINPRGAAAYZHG-HXUWFJFHSA-N 360.413 4.508 0 1 FJAF O=C1C[C@@H](c2cc3c(cc2Cl)OCO3)Oc2c1ccc1c2CCCC1 587503620 VNWYDLSOOXMJRN-KRWDZBQOSA-N 356.805 4.654 0 1 FJAF CC[C@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601487 GMJJRSATHMAKCC-NZQKXSOJSA-N 360.409 4.968 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](C1CC1)C2 587603292 LNHUYYGBQNDSOE-OHEPNIRZSA-N 350.414 4.693 0 1 FJAF CCC[C@]1(c2ccccn2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587775021 YCZXSEDUYDYOLQ-KPZWWZAWSA-N 363.274 4.561 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(Cl)cnc2[nH]1 587783098 WSCWWAASXOKMGO-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSC(C)(C)C)N1 587840847 NEGKVVKIXKVCSM-MGPLVRAMSA-N 360.336 4.869 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(Br)ccnc2[nH]1 587949833 DCSVVIGMNLTDEN-MDZLAQPJSA-N 352.276 4.767 0 1 FJAF C=CC(=O)Nc1cccc(Oc2nc(Nc3ccccc3)ncc2Cl)c1 621431477 LPPNHRXGTQTYAY-UHFFFAOYSA-N 366.808 4.790 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ccc(N2CCCC2)nc1F 963234255 VBSNSOILLBRXNK-HRAATJIYSA-N 353.485 4.567 0 1 FJAF CCc1nc2c(-c3ccc(N(C)C)nc3C)ccnc2n1[C@@H](CC)C1CC1 13487184 CFFOILAHIJLLAB-SFHVURJKSA-N 363.509 4.791 0 1 FJAF CC(C)(C)C1CCC(NC(=O)[C@H]2Cc3c(sc4ccccc34)CN2)CC1 13833791 VUDDZOXIPHMWOG-JTTJXQCZSA-N 370.562 4.637 0 1 FJAF Cc1ncc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)s1 19642154 SRABPXSEPUDRHZ-CQSZACIVSA-N 368.424 4.565 0 1 FJAF Brc1ccc(Nc2nc(-n3cnc4ccccc43)cs2)cc1 35049913 SYYIXGAKUQVIQT-UHFFFAOYSA-N 371.263 4.988 0 1 FJAF C/C(C[C@@H]1CC[C@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O 39053246 FEMIUPGALVTKAK-OQFBFBLXSA-N 357.494 4.554 0 1 FJAF O=C(Nc1cccc(OC(F)(F)F)c1)NC12CC3CC(CC(C3)C1)C2 84758562 DCNFHFUYIZSKEP-UHFFFAOYSA-N 354.372 4.676 0 1 FJAF COc1ccc2c(C)cc(C)cc2c1-c1ccc2c(c1)[C@](C)(O)N[C@H](C)C2 95486205 HMLSYQKZLKHYSQ-GYCJOSAFSA-N 361.485 4.831 0 1 FJAF biogenic,in-vitro CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccc(C)o2)/C1=C(\O)OC(C)C 101962607 AWBDPDMZZWXRBX-BDBAMQCISA-N 361.438 4.566 0 1 FJAF Cc1ccc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2S)cc1 103196404 QTSQIQYQJWYLJU-IBGZPJMESA-N 352.484 4.611 0 1 FJAF Cc1cc(C)c(C(=O)c2ccc3c(/C=C/c4ccccn4)n[nH]c3c2)cc1N 167179314 IJSAVCNZZPTSQI-VQHVLOKHSA-N 368.440 4.558 0 1 FJAF CN1Cc2cc(NC(=O)/C=C\c3ccccc3Cl)ccc2C(C)(C)C1 199263962 FGGMVOKVRSOIMA-FLIBITNWSA-N 354.881 4.715 0 1 FJAF Cc1cc(NCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 473096609 ZLSZDEARRQRWGO-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF Cc1ccc2c(ccc3nc(-c4ccnc(Cl)c4Br)[nH]c32)n1 586979972 ZKUJZSMHUSJHGQ-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF Fc1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081709 ZAEKPUCVPOPJEI-LBPRGKRZSA-N 367.605 4.794 0 1 FJAF COC(=O)C[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@H]1C 587097685 NORXYQFULLLUCP-UONOGXRCSA-N 371.436 4.594 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc(O)c(F)cc1C3 587102984 CBLYLDKLIVUCNE-UHFFFAOYSA-N 353.352 4.862 0 1 FJAF COc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2n1 587124185 JDNVJTMELYQBMA-XBXARRHUSA-N 351.353 4.749 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(F)cccc1C(F)(F)F)O2 587381989 MBJNARADCIXLSG-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587418026 GMFRUAKHAYYTEI-VCAMNPENSA-N 354.833 4.658 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3nc(O)sc3c1)CC2=O 587496771 UMRKPHYVCQBWIZ-FQEVSTJZSA-N 369.442 4.541 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 587950206 AEHPAHYOCONPAI-VOMCLLRMSA-N 374.378 4.799 0 1 FJAF c1ccc(Sc2ccc([C@H]3NCCc4nc5ccccn5c43)cc2)cc1 962981042 DCGJVGSMCPHNPJ-OAQYLSRUSA-N 357.482 4.721 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(CC[C@H]2C[C@@H]2c2ccc(F)cc2)CC1 1857571228 XTZOWCVPOQNSNK-LAUBAEHRSA-N 373.899 4.956 0 1 FJAF C[C@@H](c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F 2382245001 ORYGDQFQGQUFQM-JTQLQIEISA-N 357.339 4.916 0 1 FJAF O=C(NCCCCc1ccccc1)c1cccc(NC(=O)C2CCCC2)c1 61936310 HTIYPZQBPKJJBK-UHFFFAOYSA-N 364.489 4.568 0 3 FJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@@H]1C(=O)N(C)C 4295659 NSXKRWVXSCOCNN-IAGOWNOFSA-N 354.853 4.581 0 1 FJAF Cn1c(C(=O)NC2CCCCC2)nc(-c2ccccc2)c1-c1ccccc1 28127274 HDRWGJCAGSFEAW-UHFFFAOYSA-N 359.473 4.817 0 1 FJAF O=C(O)C[C@]1(C2CCC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49067637 LEJRNUOQQNRWRO-QGZVFWFLSA-N 354.233 4.518 0 1 FJAF Cc1ccc(-c2c3c(nn2-c2ccc[nH]2)CC(C)(C)CC3=O)cc1Cl 73240757 UXBAPGGYJMNERJ-UHFFFAOYSA-N 353.853 4.984 0 1 FJAF Cc1cnc(-c2cnc(NC3CCCCC3)nc2-c2ccccc2F)o1 82175138 RSEJCBXHPMVCSZ-UHFFFAOYSA-N 352.413 4.991 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3ccccc3C)ncnc21 82180357 DWGVFORGCOMVHZ-INIZCTEOSA-N 365.525 4.991 0 1 FJAF COc1cc2cc(-c3ccccc3)n(Cc3cccc(C(=O)O)n3)c2cc1C 169701316 HAFKGXRVBBECLT-UHFFFAOYSA-N 372.424 4.767 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(C)c1Br 586978964 MNSIMKBNKUSSKE-UHFFFAOYSA-N 372.053 4.706 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2cc(Br)cnc2[nH]1 587049234 DZNXOGATADNJDC-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF O=C(O)c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083177 JCWQTNIIRHQFMB-UHFFFAOYSA-N 358.184 4.783 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccccc3)nc3ccccn13)O2 587394502 WRIBASROQJMCTP-IBGZPJMESA-N 369.424 4.598 0 1 FJAF O=C1C[C@]2(CCCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587508230 OQCCYXXGHUESKI-QFIPXVFZSA-N 352.405 4.738 0 1 FJAF C[C@H]1CCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587535087 ICDKXOBXELRFAD-SGTLLEGYSA-N 353.487 4.853 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H]2CCCF 587553103 DSBONTMUPBCGOG-IBZMOEQTSA-N 356.393 4.642 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2)N1 587734815 WDAQWPJBGJJLRK-BMLIUANNSA-N 352.222 4.525 0 1 FJAF CCC[C@@]1(c2ccccn2)N[C@H](C)Cc2ccc(F)c(Br)c21 587775024 YCZXSEDUYDYOLQ-XIKOKIGWSA-N 363.274 4.561 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2)N1 587778416 MZCMDBMNLOHXHB-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1O 587822758 QVWWNNLDQCCYKL-VOJFVSQTSA-N 364.258 4.534 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccco2)N1 587826902 GPERPGPCDFJBBF-PIGZYNQJSA-N 352.247 4.563 0 1 FJAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1C=CC(C)(C)OC 2356381065 ZEGZKBKPOMECDI-UHFFFAOYSA-N 350.414 4.907 0 1 FJAF CC(=O)O[C@@H]1C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@H]2CC[C@@H]1C(C)C 2356453931 QSFKOXOLMLLFAI-RBMCFBOCSA-N 362.510 4.828 0 1 FJAF O=C(Nc1ccccc1C(=O)O)c1cccc(-c2ccc(Cl)cc2)c1 2382218502 KRHLECJYYZUAHL-UHFFFAOYSA-N 351.789 4.958 0 1 FJAF CC(=O)Nc1ccc2nc(NC(=O)Nc3ccc(Cl)cc3)sc2c1 2382256764 UMBNBJSMRXERDM-UHFFFAOYSA-N 360.826 4.552 0 1 FJAF CCc1nnc2sc(-c3ccc(-c4ccc(Cl)cc4Cl)o3)nn12 1660339 ZSTBJIJPZXUHHZ-UHFFFAOYSA-N 365.245 4.982 0 1 FJAF COc1ccc(OC)c(NC(=O)C2[C@H]3CC/C=C/CC/C=C\CC[C@@H]23)c1 4482023 VHTCQRPKUANPBY-HOKVUORFSA-N 355.478 4.971 0 1 FJAF CC(C)(C)c1ccc([C@@]2(c3ccccc3O)C(=O)Nc3ccccc32)cc1 29557972 VDRPZQFYEDVDGL-XMMPIXPASA-N 357.453 4.976 0 1 FJAF CC(C)(C)c1ccc2c(c1)OCC[C@H]2NC(=O)Nc1cccc2[nH]ncc12 35996409 OMIRFNXDMYBLLF-QGZVFWFLSA-N 364.449 4.506 0 1 FJAF CCCC(=O)Nc1ccc(C)c(-c2ccc(C(=O)NCC3CC3)cc2)c1 40918297 GAOYNJWKQDRPHM-UHFFFAOYSA-N 350.462 4.540 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([C@H](C)COC(C)=O)cc3CC[C@H]21 238751306 GUJPRRSUOUAPAB-RPRCKKEOSA-N 372.505 4.537 0 1 FJAF O=[S@](c1ccc(F)cc1)c1c(O)c(-c2cccnc2)cc2ccccc12 299832005 JOHSRMVJHDHTDQ-AREMUKBSSA-N 363.413 4.913 0 1 FJAF CCCCCOc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br 586901607 UEOXPNRHARMKCX-HNNXBMFYSA-N 369.303 4.974 0 1 FJAF COc1ccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2n1 587021721 POQYOGJETKOCIC-UHFFFAOYSA-N 368.487 4.691 0 1 FJAF COC(=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048156 FVZIZCQNWOHEHO-QWRGUYRKSA-N 361.228 4.927 0 1 FJAF Cc1cnc(Cl)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587073340 GPHOFOPGPCEIAB-AWEZNQCLSA-N 361.276 4.910 0 1 FJAF Fc1cc2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2cc1Br 587139090 VQYZUNIZQHGDIM-UHFFFAOYSA-N 373.147 4.667 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2C=Cc2ccccc21 587407487 JRQMPJSHDIQRDF-UHFFFAOYSA-N 353.421 4.970 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccccc3C)o1)O2 587411347 IMNXOHDKHAXCEN-NRFANRHFSA-N 363.413 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nn(C)c3cccc(Cl)c13)CC2=O 587462460 QIBUHGWFZJQOOZ-KRWDZBQOSA-N 370.836 4.591 0 1 FJAF C[C@@]1(COc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501980 HNORZZXMJKTOFF-NRFANRHFSA-N 358.384 4.647 0 1 FJAF CC(C)n1ncc2c1CCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587518084 ZYWOEANPJSBICI-QFIPXVFZSA-N 350.462 4.540 0 1 FJAF Cc1noc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587526457 POBHFFUVWNXXAZ-HXUWFJFHSA-N 360.413 4.630 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1F 587555904 HPQKMIRWDISJSS-YLJYHZDGSA-N 372.298 4.512 0 1 FJAF Cn1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc2ccccc21 587578036 PUDPAWJXZCJOAQ-OFNKIYASSA-N 371.392 4.587 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2cn1 587588567 TVCQNPVOKODLPW-NFBKMPQASA-N 369.376 4.643 0 1 FJAF COC(=O)Cc1[nH]c2cc(Cl)c(F)cc2c1-c1cc(F)c(F)cc1F 587628973 CHMYPQLIWZEZDS-UHFFFAOYSA-N 371.717 4.760 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814194 RTLMEMAITLTUFF-QOJFYFMMSA-N 370.306 4.589 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1ccc(C)s1 587864076 KQHNMGWQUMVQAT-UHFFFAOYSA-N 366.364 4.636 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(Cl)s1 587869570 MNDBGAPJZWNGCJ-UHFFFAOYSA-N 373.787 4.736 0 1 FJAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2ccc(F)cc2)cc1 653723906 LJTKYADSLAQOQK-YADHBBJMSA-N 362.400 4.955 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1ccc(-c3ccccc3)nc1)N(C)[C@H](C)C2 962627099 KRGISSREDCMKHU-GYCJOSAFSA-N 374.484 4.732 0 1 FJAF COc1ccc2c(c1)[C@H](c1cc(C)ccn1)N(Cc1ccc(F)cc1)CC2 963304700 UUHKYONURXALKY-HSZRJFAPSA-N 362.448 4.685 0 1 FJAF CO[C@H]1Cc2ccccc2C2(CCC(N(C)CC3CCCCC3)CC2)O1 1857598026 MBRMOGQHSBUGKH-GTMAMOSYSA-N 357.538 4.882 0 1 FJAF O=C(CC1CCN(Cc2ccccc2)CC1)c1ccc(N2CCCC2)cc1 13738622 FCVUUUSDKUOMRQ-UHFFFAOYSA-N 362.517 4.772 0 1 FJAF CCS(=O)(=O)c1ccc2c(c1)nc(C(C)(C)C)n2CC1CCCCC1 29046688 IAQMSZPXHMARDC-UHFFFAOYSA-N 362.539 4.708 0 1 FJAF C[C@@H](c1cccs1)N(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1 34894784 CJIWJJMKLTZWPN-PXNSSMCTSA-N 367.514 4.848 0 1 FJAF CN1Cc2cc(-c3cncnc3)ccc2[C@H](c2cc3ccccc3s2)C1 43104630 HAQQTPCJCLWUMT-HXUWFJFHSA-N 357.482 4.936 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185951 PCFIWFSSAGBLCN-AWEZNQCLSA-N 355.461 4.747 0 1 FJAF CCCCCO[C@H]1CC[C@H](NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 101507560 VIWCJPKZDQYQRJ-HBSVTFQGSA-N 362.558 4.772 0 1 FJAF CC(=O)C[C@@H]1c2ccccc2N=C(n2ccnc2)N1c1ccc(Cl)cc1 103176583 UEWXQPJOKRHBNJ-LJQANCHMSA-N 364.836 4.613 0 1 FJAF C[C@H]1[C@@H](c2ccccc2)OC(=O)N1c1ccnc(N[C@H](C)c2ccccc2)n1 142118734 SQROIPJYQITCDT-GUXCAODWSA-N 374.444 4.736 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCC(C)(C)O4)cc1OC 238761064 ZVBSFMQVRAVTJW-IBGZPJMESA-N 368.429 4.514 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)cc1 586893014 UHRWJMVVEXQPNH-FPTDNZKUSA-N 372.472 4.540 0 1 FJAF FC(F)(F)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043384 ZHLFHGINRZXXBX-CABCVRRESA-N 363.408 4.528 0 1 FJAF CC(C)(C)c1cccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c12 587174449 PNBDVUVWISRYFL-OAQYLSRUSA-N 352.409 4.628 0 1 FJAF Cc1ccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1N 587250848 QJSFRGKYNFFDOM-UHFFFAOYSA-N 369.774 4.791 0 1 FJAF CCO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351132 GCBYGMQNTGSMSN-RZUBCFFCSA-N 370.420 4.608 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)cc1OC)[C@@H](C2)C3=O 587444559 VHVUDRYCQGHNBG-CYFREDJKSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(C)c(C)cc31)CC2=O 587486582 LXYNGIMELMHWCY-JOCHJYFZSA-N 352.430 4.605 0 1 FJAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2cc(Cl)c(F)cc12 587627733 BAWKYPVNCYCMCR-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587785098 LJGHMNZDEVETEB-STQMWFEESA-N 360.335 4.525 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814979 XHIOODGWOXUXKN-QOJFYFMMSA-N 370.306 4.589 0 1 FJAF CSc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587843075 GQTJVOQVSRFKSS-BMLIUANNSA-N 366.299 4.934 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccsc2Cl)N1 587848055 ZAVPZNMXKBYQCH-UHLUBPPHSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc(Cl)c1C(C)C 587870760 IGADVGAFNSQOPY-UHFFFAOYSA-N 360.820 4.644 0 1 FJAF C[C@@]1(c2ccc3c(c2)CCO3)c2ccsc2CCN1Cc1ccco1 962704084 IKJHSYMVNFMNIF-OAQYLSRUSA-N 351.471 4.598 0 1 FJAF Cc1sc2c(c1C)CCN[C@H]2C[C@H](CC(C)C)NC(=O)OC(C)(C)C 963015259 WRZZQRHKALCBOB-RDJZCZTQSA-N 366.571 4.881 0 1 FJAF Cc1ccc([C@]2(C[C@@H](C)CC(=O)O)NCCc3c2sc(C)c3C)cc1 963025778 REPPFHYNTQAHEK-QKKBWIMNSA-N 357.519 4.564 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)[C@@H](C)CCNC2 1857577471 FHWYOVUTYXPXSE-JTQLQIEISA-N 357.504 4.580 0 1 FJAF COc1cccc([C@](C)(O)c2nc(-c3cnc4ccccc4c3)cs2)c1 61897741 HUBXCDRTKJLORW-NRFANRHFSA-N 362.454 4.623 0 3 FJAF Cc1ccc(C(=O)Nc2ccccc2Sc2ncc([N+](=O)[O-])s2)cc1 5413567 ITSDYKYTRAVDAQ-UHFFFAOYSA-N 371.443 4.763 0 1 FJAF O=C1[C@H](CCCc2ccccc2)[C@@H](c2ccc(O)cc2)N1c1ccc(O)cc1 28099206 FMPAFXJXSPTVDI-DHIUTWEWSA-N 373.452 4.825 0 1 FJAF CCOc1cccc2c1C[C@H](C(=O)Nc1ccc(N(CC)CC)cc1)CC2 28353652 IUQFOAKXUIXWAC-GOSISDBHSA-N 366.505 4.675 0 1 FJAF C[C@@H]1N=C(S)N(Nc2cccc(Br)c2)[C@@H]1c1ccccc1 29335551 IXLMOBLDCWHKDJ-NHYWBVRUSA-N 362.296 4.507 0 1 FJAF CC(=O)O[C@H](C[C@]1(C)[C@@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 38794977 DZAYTXGDCMMRGZ-ASKKKEJKSA-N 372.461 4.590 0 1 FJAF CCCCc1cc(NCc2ccncc2)nc(Nc2ccc(OC)cc2)n1 45168006 KLGFBMCPAQKZFH-UHFFFAOYSA-N 363.465 4.579 0 1 FJAF Cc1nc(C(=O)NC23CC4CC(CC(C4)C2)C3)c(Cl)n1-c1ccccc1 45364805 JRRFTWPNVIAEOB-UHFFFAOYSA-N 369.896 4.533 0 1 FJAF CC(C)c1ccc(-n2ncc(Cl)c(NCc3ccccc3)c2=O)cc1 66166469 BUBKAZGCPPCWCH-UHFFFAOYSA-N 353.853 4.621 0 1 FJAF C[C@H]1CCCCN1CCCNCc1coc(-c2cccc3ccccc23)n1 72102297 GHYOIPZSWRZVFH-SFHVURJKSA-N 363.505 4.849 0 1 FJAF Cc1ccccc1[C@@H](O)c1nnc(Nc2cccc(C(F)(F)F)c2)s1 82078388 ONYHTMJAMLPLAV-CQSZACIVSA-N 365.380 4.691 0 1 FJAF c1ccc(-c2nc(NCCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 95597649 ZUTWKSLFARNSFT-UHFFFAOYSA-N 369.424 4.680 0 1 FJAF O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3sccc23)cc1 96923888 PFQKDDOXZWAJTG-UHFFFAOYSA-N 361.426 4.729 0 1 FJAF COC(=O)N1C[C@@H]2[C@H]3[C@@H]4C[C@H](C(c5ccccc5)=C4c4ccccc4)[C@@H]3[C@@H]21 102959799 FZZYGBFGNWPQRI-XWBRHDOPSA-N 357.453 4.560 0 1 FJAF CCc1cc(Cc2ccc(CC(=O)O)cc2)nc(-c2cccc(Cl)c2)n1 143248961 FJDMZQLQQKHVRK-UHFFFAOYSA-N 366.848 4.577 0 1 FJAF N[C@H](N=O)c1ccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2c1 587016202 ROLQUIXIHZQAEY-OAHLLOKOSA-N 369.837 4.731 0 1 FJAF Clc1cccc(-c2cc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)n[nH]2)c1 587068669 WQTPFPMFRZVBOB-UHFFFAOYSA-N 364.623 4.975 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(F)c(Br)cc3[nH]2)n1 587081272 YUBFPAQBYWGROX-ZETCQYMHSA-N 371.641 4.952 0 1 FJAF Cc1ccc2c3c(cc(CCN4CCCCC4)nc13)-c1ccccc1C2=O 587097683 PDNNDCUOXIZNTE-UHFFFAOYSA-N 356.469 4.783 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4cc(Cl)cc(Cl)c14)[C@@H](C2)C3=O 587424342 YVLOAXMPNVPSRA-WLRWDXFRSA-N 374.223 4.972 0 1 FJAF O=C1C[C@H](c2cccc(Oc3cnccn3)c2)Oc2c1ccc1c2CCCC1 587513595 DEDYFYHKGWPIHE-OAQYLSRUSA-N 372.424 4.854 0 1 FJAF CC(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604266 RSDKZTSRGRZOEA-JOXBDYEASA-N 352.430 4.939 0 1 FJAF CC(C)c1nc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587853400 QVNGIMUBBZCVGF-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF COc1ccc(C(C)C)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962640857 XDLAFPCJRVLPRO-NYHFZMIOSA-N 369.505 4.802 0 1 FJAF CCC[C@]1([C@H](C)C(=O)OCC)NCCc2cc(-c3ccccc3)ccc21 962675478 ZMMPUQDMFZJDKG-UZUQRXQVSA-N 351.490 4.694 0 1 FJAF CN1CCc2c(Br)cccc2[C@H]1c1cccc2c1CCCC2 963269638 LIHZDOWXFUNEJR-HXUWFJFHSA-N 356.307 4.905 0 1 FJAF CC1(C)CN[C@](c2ccc(Cl)c(F)c2)(C2CC2)c2c1ccc1c2OCO1 963390203 GVQBLSKKLYAGJK-NRFANRHFSA-N 373.855 4.742 0 1 FJAF CCc1ccccc1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C 1857571094 AUVWZEGUEHUMBV-UHFFFAOYSA-N 356.429 4.544 0 1 FJAF C[C@H]1CC[C@@H](C)C[C@H](C)C(=O)N(C)C=CCC(=O)O[C@H](C(C)(C)C)C1 2356496642 MUPORQMYFNQMDE-OWSLCNJRSA-N 351.531 4.789 0 1 FJAF COc1ccc(-c2coc3c(CC=C(C)C)c(OC)ccc3c2=O)cc1 15115148 IJXGRAYYCZSNKO-UHFFFAOYSA-N 350.414 4.986 0 1 FJAF biogenic CNCCC[C@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O 28526962 YQMJGYZSSOOMCO-AWEZNQCLSA-N 363.288 4.830 0 1 FJAF COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c(N)c3)n2)cc1N 28948973 NSHIFDQNTAKJHI-JMQWPVDRSA-N 373.456 4.604 0 1 FJAF CCCCCOc1cc(Cl)cc(Cl)c1/C=C/[C@H]1C[C@@H](O)CC(=O)O1 29409419 QJGVCXKYRJLREB-IHDARNGBSA-N 373.276 4.642 0 1 FJAF COc1cccc(-c2ccc(C(=O)N[C@H](C)CCCc3cccnc3)cc2)c1 29474403 WBZMIEIDXPINAG-GOSISDBHSA-N 374.484 4.898 0 1 FJAF c1ccc([C@H]2CN(CCc3ccccn3)Cc3c2[nH]c2ccccc32)cc1 29489251 BYEGRTMNNPHEQN-OAQYLSRUSA-N 353.469 4.753 0 1 FJAF Cc1cc2c(c(O)c1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 34659905 PQBXXRXDUPNHAK-UHFFFAOYSA-N 366.457 4.979 0 1 FJAF CCn1c2ccccc2c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc21 35064580 FVCIZCWRVBFHOQ-UHFFFAOYSA-N 368.433 4.754 0 1 FJAF CCCCN(CCCC)CCCNCc1coc(-c2ccc(F)cc2)n1 72182173 CENIXQRUBOWXGQ-UHFFFAOYSA-N 361.505 4.863 0 1 FJAF Cc1noc(C)c1C(=O)Nc1ccc([C@H]2CC[C@@H](N3CCC[C@@H]3C)C2)cc1 72318334 DSAADXYWDVRNFP-ADLFWFRXSA-N 367.493 4.664 0 1 FJAF CCCCCn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178409 HTZHDTNRQPZRKJ-UHFFFAOYSA-N 361.449 4.889 0 1 FJAF CCc1c(C(=O)NCCc2ccc(N(C)C)cc2)oc2ccc(Cl)cc12 96933906 RNPZTWOEGAMLLX-UHFFFAOYSA-N 370.880 4.687 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)[C@@H](C)c4ccccc43)CC2)CC1 101680328 UDIDJCCXFVDPEB-FHWLQOOXSA-N 354.538 4.816 0 1 FJAF Cc1ccc(OCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1 136440322 HWKDGGOLEMACFV-UHFFFAOYSA-N 350.370 4.696 0 1 FJAF CC(C)C[C@H](NCCCC(N)=O)C1(c2ccc(Cl)c(Cl)c2)CCC1 199950374 LOAMESGVVPSFCK-KRWDZBQOSA-N 371.352 4.685 0 1 FJAF Cc1ccc(C(=O)NC(C)(C)c2nccs2)nc1-c1cccc(Cl)c1 207728828 AJLBNQYWVZCLRT-UHFFFAOYSA-N 371.893 4.832 0 1 FJAF Clc1cccc(-n2nc(-c3nc4cccnc4[nH]3)cc2-c2ccco2)c1 587068025 FYNBAFIROLNBKN-UHFFFAOYSA-N 361.792 4.724 0 1 FJAF Cc1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079770 GUTPETSONQNKQM-AWEZNQCLSA-N 363.642 4.963 0 1 FJAF Cc1ccc(NC2(c3nc4ccc(Br)nc4[nH]3)CCCC2)cc1 587236867 GVRNOBVHCXEXCX-UHFFFAOYSA-N 371.282 4.910 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc4cc(Cl)ccc4o1)[C@@H](C2)C3=O 587423532 VDDUOQVDPOXWEW-VBKZILBWSA-N 354.789 4.758 0 1 FJAF COc1cc2c3c(c1)O[C@](c1cccc(C)c1)(c1cccc(F)c1)[C@@H](C2)C3=O 587429027 RNGSWBLEHSSORQ-GBXCKJPGSA-N 374.411 4.834 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CC(C)(C)O3)CC2=O 587475928 BDIZCVLCSWRVJF-HXUWFJFHSA-N 352.430 4.765 0 1 FJAF O=C1C[C@H](c2ccccc2OCC(F)F)Oc2c1ccc1c2CCCC1 587504659 JSCCIHKGANUABP-LJQANCHMSA-N 358.384 4.916 0 1 FJAF O=C1C[C@H](c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587509870 XSGZWNBPYSDOGK-GFCCVEGCSA-N 368.301 4.967 0 1 FJAF Cc1ccc([C@H](C)[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603201 NRIWOZFGRDBTKY-NQKDMWHGSA-N 360.409 4.835 0 1 FJAF Cc1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587826576 FFTRVUVBUVFCCS-MCCLBDCCSA-N 350.231 4.778 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(F)cc(F)n1 587853663 AKDRSHMHDOWYND-UHFFFAOYSA-N 370.186 4.918 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@]2(C[C@@H](C)CN(Cc3ccccc3)C2)N1 962950586 NWFSAOHSEBQANJ-BSWQBHCVSA-N 373.544 4.830 0 1 FJAF COc1ccccc1CC[C@]1(c2cccc(C)c2)NCCc2ccc(O)cc21 963350807 DPSKQUCHPSJILW-RUZDIDTESA-N 373.496 4.731 0 1 FJAF Cc1cc(F)ccc1[C@H](O)c1nc(-c2ccccc2C(F)(F)F)c[nH]1 61902802 QHWDEITVADQYNS-INIZCTEOSA-N 350.315 4.625 0 3 FJAF CC[C@@H]1c2nc3cc4c(cc3cc2[C@H]2CCN(C)[C@H]3CCC[C@@H]1[C@H]23)OCO4 211062200 YMCCGVIPHJHTPW-ITICCBOXSA-N 364.489 4.675 0 3 FJAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@H]23)cc1Cl 26155151 QFAHXLIVMRUENH-IRXDYDNUSA-N 366.848 4.682 0 1 FJAF O=C(Nc1ccc(F)cc1)Nc1nc2cc(C(=O)c3ccccc3)ccc2[nH]1 28020580 ZIVQAAIRJYFAJY-UHFFFAOYSA-N 374.375 4.577 0 1 FJAF COc1ccc(Cl)cc1C(=O)NCN(c1ccccc1)c1ccccc1 28357377 GRFHORRMBPSPLT-UHFFFAOYSA-N 366.848 4.874 0 1 FJAF c1cn(-c2ccc(-c3ccnc(Nc4ccc5ncsc5c4)n3)cc2)cn1 29045072 DOZSFMCFKIVLPU-UHFFFAOYSA-N 370.441 4.683 0 1 FJAF CN(CCCNc1ccnc2cc(Cl)ccc12)C(=O)c1cccc(F)c1 35190736 QMTSMFUGFKVHOA-UHFFFAOYSA-N 371.843 4.602 0 1 FJAF C[C@@H]1CC[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 40915844 FAZGTKALGZTMQB-TZEYCDKWSA-N 354.490 4.960 0 1 FJAF COc1ccccc1C(=O)n1cc(C)n(-c2cccc(Cl)c2)c1=S 103283282 GVAUMMGMPGDESG-UHFFFAOYSA-N 358.850 4.667 0 1 FJAF C[C@@H](Nc1nccc(N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)n1)c1ccccc1 142116605 SQROIPJYQITCDT-JXXFODFXSA-N 374.444 4.736 0 1 FJAF CCCCC(=O)CC[C@]1(C)[C@H]2Cc3ccc(OC)cc3[C@@]1(C)CCN2C 169321835 JGQAPVDDRSXDAB-DNVJHFABSA-N 357.538 4.759 0 1 FJAF O=C1[C@@H]2CCCN2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccc(F)cc1 249982862 HGFOHEWFRLBJCQ-IRXDYDNUSA-N 365.235 4.642 0 1 FJAF CSc1ccc([C@@H]2N(c3ccc(Cl)cc3)C(=O)[C@@H]3CCCN32)cc1 250939728 IENHQDFICATLIR-ROUUACIJSA-N 358.894 4.572 0 1 FJAF Fc1cc(Cl)cc2nc(-c3ccnc(Cl)c3Br)[nH]c12 586979165 IMKCLSLBVFQQCX-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF COc1cc2nc(-c3cc(NC(C)=O)ccc3Cl)[nH]c2cc1Cl 587048906 CJWMJHXEEBRXFQ-UHFFFAOYSA-N 350.205 4.504 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587069731 FDJJWRCQQQPGBN-UHFFFAOYSA-N 356.706 4.800 0 1 FJAF Fc1c(Br)cc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1F 587090687 VNIGORUPUDYCLX-QMMMGPOBSA-N 367.474 4.527 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Br)cnc2[nH]1 587109908 WRUVRNWNXHWZHN-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4cnncc4[nH]3)cc2)cc1 587111271 CEAWUFDIGTZKFR-UHFFFAOYSA-N 356.307 4.831 0 1 FJAF Fc1ccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 587148620 IZXGMRMSOBOSOG-RQOWECAXSA-N 370.584 4.822 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc(C(F)(F)F)ncc4[nH]3)c(Cl)c2c1 587175648 WSVQVXADWCIUFU-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2ccc(C(=O)O)cc2[nH]1 587240382 IZZYLWCUYVKGTE-UHFFFAOYSA-N 359.385 4.680 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ncc(C(F)(F)F)cc1Cl)O2 587382525 MMIBNLQEIMCGER-MRXNPFEDSA-N 370.758 4.525 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1OC(F)F)O2 587382586 NEBWHMFGZVJHID-AWEZNQCLSA-N 353.752 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccco1)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451490 OSNWEOAMXLTTBU-BUXKBTBVSA-N 372.829 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C)n1-c1ccccc1)CC2=O 587470509 KOJLRTABIWTKGT-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(C1CCCCC1)CC2=O 587479659 IXBVZDOVEAPVDU-JOCHJYFZSA-N 374.477 4.582 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3nc(O)sc3c1)CC2=O 587496772 UMRKPHYVCQBWIZ-HXUWFJFHSA-N 369.442 4.541 0 1 FJAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)nccc21 587499289 LUTREFLONXKGDG-SFHVURJKSA-N 366.848 4.812 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587553031 FCBXJSRUWQBHIU-DENIHFKCSA-N 364.372 4.717 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC 587926156 JGJGYSZEDFBSTI-SECBINFHSA-N 366.795 4.858 0 1 FJAF Oc1ccc(F)c(-c2cncn2CCNc2cccc3ccccc23)c1F 653845368 BRURZZJETBMRGV-UHFFFAOYSA-N 365.383 4.799 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCCc3c(F)cc(OC)cc31)N(C(C)C)CC2 962093733 PUCPNQWMPPYNLU-HSZRJFAPSA-N 369.480 4.689 0 1 FJAF CC1(C)CN(NC(=O)Nc2ccc(Cl)cc2)c2cc(Cl)ccc2O1 1857611235 YOWLRUKBDCWLHW-UHFFFAOYSA-N 366.248 4.708 0 1 FJAF CO[C@@H]1C=C(CCC=C(C)CC[C@@H]2C(C)(C)CCC[C@@]2(C)O)C(=O)O1 2356788532 XCMQDKISWYFCMG-LVCYWYKZSA-N 350.499 4.526 0 1 FJAF Cc1ccc(CN(C[C@@H](O)CNc2ccc3[nH]ccc3c2)C(C)(C)C)cc1 2382256364 QLWIJBSGYVMEGR-NRFANRHFSA-N 365.521 4.550 0 1 FJAF CCN(CC)CC(=O)N1C[C@@H](c2ccc(Cl)cc2)Sc2ccccc21 597895 LAAWZJIRZCHDIM-IBGZPJMESA-N 374.937 4.862 0 1 FJAF CCN(CC)C(C)(C)CNc1cc(-c2ccccc2)c(CC(C)C)nn1 27900926 ZUBBBWNIDMJBON-UHFFFAOYSA-N 354.542 4.874 0 1 FJAF CNC(=O)O[C@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103187476 LHBYKJQLWBNIOY-KRWDZBQOSA-N 360.335 4.699 0 1 FJAF COc1cccc(OC)c1[C@H]1CCCC(=O)N1Cc1cc2ccccc2o1 167396544 OCTOQPZKGOMKKM-QGZVFWFLSA-N 365.429 4.704 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 169210621 JGLZEPKKJJYDFZ-LLKPKUTRSA-N 362.517 4.764 0 1 FJAF CC(=O)O[C@H]1CC/C(C)=C/[C@@H]2OCC(C)=C2CC/C(C)=C/CC[C@@]1(C)O 205381186 GDTVZODNXRBOIB-ZRPNCXLZSA-N 362.510 4.631 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4nccc(Br)c4[nH]3)cc2)o1 586903312 OAUNUTBKUTUDBK-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF Cc1nc2c(s1)-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586992495 BZECPWLIAMVXCF-UHFFFAOYSA-N 370.433 4.682 0 1 FJAF Cc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587016675 FOESIKVKTXPHLK-UHFFFAOYSA-N 357.442 4.709 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)c(F)c2[nH]1 587151710 TXUDJDJJFGYGDM-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF Brc1cc2c(cc1-c1cc3c4c(cccc4n1)CC3)OCCO2 587207199 CNLZGCBZHSBDHN-UHFFFAOYSA-N 368.230 4.534 0 1 FJAF CC[C@@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372611 QAAINFMGPPURDY-SFHVURJKSA-N 360.251 4.610 0 1 FJAF COc1cccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)c1 587403392 LQDKCBFUTXXKHP-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CC[C@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423899 WCTWQOHVWNBKCN-DNVCBOLYSA-N 362.347 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)nc1C)CC2=O 587464132 JDKSKWSXNGPVQJ-MRXNPFEDSA-N 365.351 4.773 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccs3)on1)CC2=O 587495731 SBGBKCUKDPEOIL-MRXNPFEDSA-N 355.415 4.768 0 1 FJAF COC(=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587951007 UXNBHTHVTLRBKJ-UHFFFAOYSA-N 358.397 4.733 0 1 FJAF COC(=O)C[C@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962656659 BQHWICHXRNIAPQ-VWLOTQADSA-N 371.480 4.500 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc3cc(C)c(C)cc3[nH]2)N1 962960092 VXRKCGMIWLPQHJ-CMJOXMDJSA-N 358.489 4.849 0 1 FJAF Cc1nc(-c2ccc(C)n2C)sc1[C@]1(C)NCCc2c1sc(C)c2C 963011393 PVGPJYIQCFVFPR-FQEVSTJZSA-N 371.575 4.853 0 1 FJAF CCc1nnc(-c2ccc(C(F)(F)F)nc2Nc2cccc(F)c2)o1 1772616015 MDAPUAWDAGRRKD-UHFFFAOYSA-N 352.291 4.596 0 1 FJAF CCC=CC[C@H](O)C=CC=CCC=CC=C[C@H](O)CCCCCC(=O)O 2356710083 JUBMLVBCKBUAQW-SFTDATJTSA-N 362.510 4.715 0 1 FJAF Cc1c(-c2nc(OCCCN(C)C)c3ccccc3n2)oc2ccccc12 2382234613 XRJMBEYDDSLPMB-UHFFFAOYSA-N 361.445 4.682 0 1 FJAF O=c1ccc(-c2ccc3c[nH]nc3c2)cn1Cc1ccc(Cl)c(Cl)c1 2382239492 ZBKQXBZXZYIRIU-UHFFFAOYSA-N 370.239 4.747 0 1 FJAF O=C(NCC1CCOCC1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61927171 MBDGWWHYOZBUTA-UHFFFAOYSA-N 371.383 4.534 0 3 FJAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@H]1Cc1ccccc1 4072365 NNOKMWGSDMXUQB-FQEVSTJZSA-N 360.844 4.741 0 1 FJAF Cc1c([C@H](C)c2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O 13474582 QWLPFOROZPPJHY-LLVKDONJSA-N 364.461 4.933 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]1(C)C2 27421548 ZRESSCVMJGYKHQ-IEOHHFJNSA-N 354.490 4.577 0 1 FJAF Oc1c(C(=S)NC(c2ccccc2)c2ccccc2)occc1=S 59114912 BRUKVOMOARSEIW-UHFFFAOYSA-N 353.468 4.769 0 1 FJAF Clc1cccc(-n2cc(CSc3nc4ccccc4s3)nn2)c1 73197661 NOXJTJQDPOGGPB-UHFFFAOYSA-N 358.879 4.823 0 1 FJAF c1ccc(OCCNC[C@@H]2CCC(c3ccccc3)(c3ccccc3)O2)cc1 73279531 STDDNPFGFREFHT-DEOSSOPVSA-N 373.496 4.778 0 1 FJAF Cc1coc2c3c(ccc2c1=O)OC[C@H]1[C@@H]3N(C2CCCCC2)OC1(C)C 96924230 ATVIFBBJZGMPLM-LPHOPBHVSA-N 369.461 4.510 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2c2nc(-c4ccccc4)no2)N3C)cc1 100751718 WYJIEKRDCVWTRP-XRXFAXGQSA-N 359.473 4.779 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)OC[C@@]2(C)c2ccccc2)n1)c1ccccc1 142094024 XZVBULVCPDYHHC-AOMKIAJQSA-N 374.444 4.522 0 1 FJAF FC(F)(F)c1ccc(CN2C[C@H]2COc2cccc3cnccc23)cc1 169328835 AYKSPCUGCZMKGI-LFUZPPSTSA-N 358.363 4.517 0 1 FJAF COc1cc(/C=C/C(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)cc(Cl)c1O 169368183 ARPHTRQCUAXYGU-RQSKZDRZSA-N 364.869 4.825 0 1 FJAF CC(=O)n1c2cccc(Br)c2c2cc(-c3ccccc3)nnc21 299824909 IQXJLLCMLZCWFX-UHFFFAOYSA-N 366.218 4.674 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](C)SCc3ccccc3)[nH]c2c1 586963864 RFSCJVFREVOUND-AWEZNQCLSA-N 354.475 4.663 0 1 FJAF CC(C)(C)OC(=O)Nc1snnc1-c1nc2cc3ccccc3cc2[nH]1 587039487 SHWVJTFIGVNMNT-UHFFFAOYSA-N 367.434 4.582 0 1 FJAF CC(C)Oc1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076652 NLYPPMKMKSIEEH-SFHVURJKSA-N 355.825 4.621 0 1 FJAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc(F)cnc3[nH]2)c1 587158474 FWHDVJPKPNIVEN-UHFFFAOYSA-N 351.356 4.503 0 1 FJAF CC[C@@]1(c2cccc(Br)c2)CC(=O)c2cc(C)cc(N)c2O1 587375657 FBFIXJAYAXKMGS-SFHVURJKSA-N 360.251 4.610 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(C(F)(F)F)c1)(C1CC1)O2 587381455 JEJVHAQLPKOBHL-LJQANCHMSA-N 361.363 4.867 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1CCC(F)(F)F)[C@@H](C2)C3=O 587423409 YANSMCYNJDZLML-HNAYVOBHSA-N 362.347 4.679 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c(C(C)(C)C)c1)[C@@H](C2)C3=O 587440944 BZPKPGOVTDCLTR-SBUREZEXSA-N 366.457 4.664 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2ccccc21 587485428 VTIZWYCJKZYRHL-JOCHJYFZSA-N 352.430 4.767 0 1 FJAF O=C1C[C@@]2(CCc3nc(Cl)sc3C2)Oc2c1ccc1c2CCCC1 587535127 IJUSWSOGTHSVLG-LJQANCHMSA-N 359.878 4.568 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccc(OC)cc3)c2c1 587641874 IDQPYMKFVGTTKK-CQSZACIVSA-N 350.462 4.928 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1nc(C)cs1 587866686 JNKPGRPTLVUWFR-UHFFFAOYSA-N 353.369 4.722 0 1 FJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587932131 UUUVJGWFPIABTA-LZVRBXCZSA-N 350.315 4.573 0 1 FJAF C/C=C(C(/C)=C/c1ccc(OC)c(O)c1)\c1cc(OC)c(OC)c(OC)c1 1772581860 AOGNGGSMIOLFPB-KWNFNVPNSA-N 370.445 4.933 0 1 FJAF Cc1cn(CCCCCCCCOc2ccc3ccc(=O)oc3c2)cn1 1857655646 CCMJYSXYMGGMBG-UHFFFAOYSA-N 354.450 4.718 0 1 FJAF COC(=O)C=CC=C[C@@H]1[C@H](C=CC=CCCCC(=O)O)C=C[C@H]2CCC[C@H]21 2356553570 FMNXZOPVRFLFPQ-XRXFAXGQSA-N 370.489 4.858 0 1 FJAF COc1cccc(C(=O)Nc2cc(NC(=O)c3cccs3)ccc2C)c1 1330033 AXXAEUXPRWJRHK-UHFFFAOYSA-N 366.442 4.570 0 3 FJAF CN(C)C[C@@H]1CCCC[C@H]1[C@]1(O)c2ccccc2CSc2sccc21 6995950 YKADOOIFTVIBPM-XPIZARPCSA-N 373.587 4.958 0 3 FJAF COC(=O)[C@]12CCCC(C)(C)[C@@H]1CCc1cc(C(C)C)c(C=O)c(O)c12 34386071 JEZUSVWEUHJWAS-HTAPYJJXSA-N 358.478 4.511 0 1 FJAF biogenic COc1cc(Nc2ncnc3[nH]ccc23)ccc1-c1nc2ccccc2s1 40866561 CXJQAZDGOBZGLJ-UHFFFAOYSA-N 373.441 4.987 0 1 FJAF Cc1ccc(NC(=O)c2ccco2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918500 BKWXTFBEQWOLSP-UHFFFAOYSA-N 374.440 4.647 0 1 FJAF C[C@@H](Oc1ccnc2ccccc12)c1cn(-c2ccc(Cl)cc2)nn1 43011541 PSGFUTMQBCOQRG-CYBMUJFWSA-N 350.809 4.609 0 1 FJAF Cn1ncc2cc(-c3ccc4oc(N5Cc6ccccc6C5)nc4c3)ccc21 68205237 ZDTAZDOZTNJJNF-UHFFFAOYSA-N 366.424 4.902 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(F)c3)cc2)cc1 100101269 FKPYUKQYCDRHQN-LNWKWYTESA-N 372.487 4.741 0 1 FJAF Nc1ncccc1-c1cc(Cc2ccc(CCc3ccccc3)cc2)no1 200129735 UIFHFNMJLXWFRB-UHFFFAOYSA-N 355.441 4.695 0 1 FJAF C[C@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1 204748861 PXBRMSLPAQOCCZ-GUYCJALGSA-N 350.397 4.779 0 1 FJAF COc1ccc(-c2ccco2)cc1Nc1ncnc2[nH]nc(-c3ccco3)c12 584904996 ZKGQOANFVSVQMS-UHFFFAOYSA-N 373.372 4.625 0 1 FJAF in-vitro Clc1ncc(Br)c2nc([C@@H]3C[C@]34CCc3ccccc34)[nH]c12 586885301 LWBJCXJJAPBPRL-GTNSWQLSSA-N 374.669 4.745 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1 587075918 MMCDXWQYEUUUOO-UHFFFAOYSA-N 351.841 4.762 0 1 FJAF COc1ccc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C(F)(F)F)c1 587095709 RSZGHUGEGLGMPN-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF Cc1ccc(-n2cccc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1 587511536 HLCIUKQXLWSUBM-OAQYLSRUSA-N 358.441 4.766 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccccc2n1 587584487 AMAOXVXWZDQIRG-NFBKMPQASA-N 369.376 4.643 0 1 FJAF CSc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615908 ZXGKPJVQZZSKFD-NQIIRXRSSA-N 364.422 4.817 0 1 FJAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631856 XQEWFUMDSULIKU-UHFFFAOYSA-N 368.836 4.540 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715593 IFRRTZYZADVQPV-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC3)N1 587814671 HWRCVHWXYJSGEX-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CC(C)(C)CCC2=O)N1 587819159 GXINEFXPHWFFHL-ANTHHZPCSA-N 368.290 4.559 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cnc(Cl)cn1 587854575 GSCBYDCFGMDCGY-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF COc1c(C)cccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772574592 ACGKOLSZYGLCCD-KRWDZBQOSA-N 353.443 4.734 0 1 FJAF CCCOC(=O)c1ccc(OCc2c(-c3ccccc3)noc2C)cc1 1857582092 VKSVNYVAVDHLLK-UHFFFAOYSA-N 351.402 4.796 0 1 FJAF CC(=O)OC[C@H](C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@H]1CC2=O 2356497116 ARKOXDSPJUWTIG-VYALMSHHSA-N 358.478 4.729 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC=C(C)[C@H](O)CC=C(C)C 2356532835 ZCOFHYGAZMGATH-JOCHJYFZSA-N 364.526 4.638 0 1 FJAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)c1nccn1CC 2356858643 TWBZUKUMQOTBNE-LEWJYISDSA-N 366.461 4.810 0 1 FJAF CCCc1c(-c2ccccc2OC)ncn1CCc1ccccc1OC 198627505 FJWCOVTYNZSFDR-UHFFFAOYSA-N 350.462 4.763 0 3 FJAF CCC[C@H]1[C@@H](N(C)Cc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713920 AAVCKSLRMXVNSG-FCIYXJNOSA-N 374.594 4.920 0 3 FJAF Clc1ccc(/C=c2\nc(-c3ccccc3)n3c2nc2ccccc23)cc1 5597110 GMVJFLXAPDWVMF-RGEXLXHISA-N 355.828 4.751 0 1 FJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C(C)C)[C@@H](CC1=O)C[C@H]32 5856066 UHJVGDFZCWFEKB-MHKBCEIASA-N 358.522 4.944 0 1 FJAF CCOC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 13864646 LPROLPQTWKDPNU-UHFFFAOYSA-N 356.425 4.928 0 1 FJAF in-vivo CN1Cc2cc(-c3cccnn3)ccc2[C@@H](c2ccc3sccc3c2)C1 35966344 FHVZRKFXAWGVLU-HXUWFJFHSA-N 357.482 4.936 0 1 FJAF CCCCc1ccc2oc(-c3ccc(CN4CC(C(=O)O)C4)cc3)cc2c1 66097409 RNLDQNXXXBUINJ-UHFFFAOYSA-N 363.457 4.959 0 1 FJAF Cc1ccc(SN[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC(C)C)cc1 95593385 GIZUNAVRISVFON-FQEVSTJZSA-N 368.502 4.636 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151863 HVRWHBXGKRCKSP-IAGOWNOFSA-N 356.491 4.517 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c(C)c3[nH]2)cc1 586892829 XIDLWKQUIJGAPD-APPDUMDISA-N 359.267 4.779 0 1 FJAF Cc1cc2nc(Cc3csc(NC(=O)OC(C)(C)C)n3)[nH]c2cc1C 587020628 WKOZYSNJRUQJCO-UHFFFAOYSA-N 358.467 4.574 0 1 FJAF Clc1cccc(COc2ccc(/C=C/c3nc4ncc[nH]c-4n3)cc2)c1 587069651 FVUOGHAMVNYZQY-RMKNXTFCSA-N 362.820 4.707 0 1 FJAF Cc1ccc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1C(F)(F)F 587095015 MNCINEJSZCUARH-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587154978 HRQFAEDKCZLCGD-QGZVFWFLSA-N 354.360 4.557 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc12 587158933 SYFAOZXTWMGPKX-UHFFFAOYSA-N 374.371 4.635 0 1 FJAF COc1ccc([C@]2(C(C)(C)C)CC(=O)c3cc(C)cc(N)c3O2)c(F)c1 587386249 UWFJLRDQERRKNU-NRFANRHFSA-N 357.425 4.632 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)O2 587407714 KHPLIWQASLLAOP-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(C(=O)C4CCCC4)c1)[C@@H](C2)C3=O 587444664 FVDMSUQVGSMXPA-FDDCHVKYSA-N 362.425 4.557 0 1 FJAF O=C1C[C@@H](c2cnc(-c3ccncc3)s2)Oc2c1ccc1c2CCCC1 587535192 JENHVSQHHTUXGC-SFHVURJKSA-N 362.454 4.790 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccnc2ccccc12 587585487 DZLORQYUDOBUCN-REWPJTCUSA-N 369.376 4.643 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2F)N1 587725166 BRPBABCXJWGEOF-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF Cc1cc(F)ccc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587731806 ZZXAVMMTKWTOPL-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF COc1ccc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c(OC)c1C 587787060 JXQNXJZWDAMTRX-UHFFFAOYSA-N 354.303 4.713 0 1 FJAF O=C(c1[nH]c2ccccc2c1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587874137 QTIFFCIDMYSGCL-UHFFFAOYSA-N 353.740 4.618 0 1 FJAF COc1cccc([C@]2(CCc3cccc(C)c3)NCCc3c(C)ccnc32)c1 963068508 LOQZWYADFUUXOA-VWLOTQADSA-N 372.512 4.729 0 1 FJAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@@H](C)CCC[C@H]12 2356576389 ZAWHOLMDNIHGEJ-QNDJGXFYSA-N 351.446 4.610 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@@]23C)[C@H](OC)O1 2356770659 DDLXKCMOPRPBNK-RDNDVAJVSA-N 366.542 4.902 0 1 FJAF CC1(C)C[C@H](Cc2ccc(C(F)(F)F)cn2)N(C(=O)OC(C)(C)C)C1 199242014 LVALIHPKYCGEIX-AWEZNQCLSA-N 358.404 4.679 0 3 FJAF Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)O[C@@H](C)C2CC2)c1 6483675 SQEXNUNPTRMKMI-JTQLQIEISA-N 363.866 4.984 0 1 FJAF COc1ccccc1NC(=O)c1sc(-c2ccc(Cl)cc2)cc1N 8592779 ZAOOAZCUUUTZAZ-UHFFFAOYSA-N 358.850 4.912 0 1 FJAF Fc1ccc(CCN2CCC3(C=Cc4cc(F)ccc4O3)CC2)c(F)c1 13472077 HTKIFNUUHOERMF-UHFFFAOYSA-N 359.391 4.587 0 1 FJAF Cc1nc2cccc(F)c2c(N)c1CS[C@@]1(C(F)(F)F)CCCO1 13864117 BOGDGZBEROWVBB-OAHLLOKOSA-N 360.376 4.567 0 1 FJAF CC(C)(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3F)cn12 14961330 XTZMVZVCDOJUJH-UHFFFAOYSA-N 354.360 4.627 0 1 FJAF C/C=C/c1cc(-c2ccc(S(C)(=O)=O)cc2)n(CC2CCCCC2)n1 26281180 BURARBDWTNJDCL-XVNBXDOJSA-N 358.507 4.567 0 1 FJAF CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@]34C[C@@H](CC[C@H]32)[C@H](C(=O)O)C4)C1(C)C 33831245 KKBIKHQVYAXMFD-RMGCFARWSA-N 362.510 4.662 0 1 FJAF biogenic,in-vitro Clc1ccc(-c2cn3nc(Cc4noc5ccccc45)sc3n2)cc1 43077582 MDTWQLARFBPPCP-UHFFFAOYSA-N 366.833 4.843 0 1 FJAF CCCCCn1c(CCc2ccccc2)nc2c(NCC(C)C)ncnc21 82221625 QXWREPUFBVYNNW-UHFFFAOYSA-N 365.525 4.870 0 1 FJAF COc1cc(-c2cc(-c3ccc4[nH]ccc4c3)on2)cc(OC)c1OC 95558780 WXIMXZMRKITKDB-UHFFFAOYSA-N 350.374 4.516 0 1 FJAF CCCCn1cc(C(=O)Cc2ccc(OC)cc2)c2cccc(OC)c21 96905993 QHRAKHVQVUFVRP-UHFFFAOYSA-N 351.446 4.884 0 1 FJAF CCN(CC)C(=O)[C@@H]1Cc2ccccc2-c2c1c1ccccc1n2CCF 96909175 OFCPAXGWSSAQNU-LJQANCHMSA-N 364.464 4.786 0 1 FJAF CCCCn1c(=O)c2c(c3cc(C(=O)N(CC)CC)ccc31)CCCCC2 169328408 DRFQKQGUEJCXSO-UHFFFAOYSA-N 368.521 4.553 0 1 FJAF CC1(C)[C@H]2Cc3ccccc3[C@]1(C)CCN2C(=O)[C@@H]1CC2CCC1CC2 205475005 XIFZAVDDPZDOGY-LFQLXSEXSA-N 351.534 4.954 0 1 FJAF CC1(C)OC(=O)C[C@H]1c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 586912730 WZUYTANYZCYTJW-LBPRGKRZSA-N 363.442 4.649 0 1 FJAF CC(C)(C)c1ccc2nc(CSc3nc(-c4cccnc4)no3)[nH]c2c1 586967014 OXKYXVXVUJOUPN-UHFFFAOYSA-N 365.462 4.598 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(N)cc1F 587136649 UNBPDBJAFVFGCA-UHFFFAOYSA-N 368.334 4.542 0 1 FJAF Cc1ccc2nc(-c3cc(Cl)cc(I)c3)[nH]c2c1 587182688 OEKVWAFEBFHJPW-UHFFFAOYSA-N 368.605 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Cc2[nH]c(C)cc21 587488432 ZOEFKQLUJUKBOR-JOCHJYFZSA-N 353.462 4.814 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncccn3)cc1)CC2=O 587491475 STJSCAUTZXWOCT-FQEVSTJZSA-N 360.413 4.508 0 1 FJAF O=C1C[C@H](c2ncc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587504000 DQYKBCMVQCYSRM-CYBMUJFWSA-N 353.365 4.747 0 1 FJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1ccn(C(C)C)n1 587623114 LGNXQYRABZOWGF-UHFFFAOYSA-N 358.243 4.560 0 1 FJAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cccc(F)c12 587632051 BWWRZCASSMVMSX-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc(C3CC3)s2)N1 587852607 HPRNVOFTGRMRQW-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF C[C@@H]1C(=O)CC[C@H]1Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587963112 LNUULRCKECHRJZ-STQMWFEESA-N 361.470 4.997 0 1 FJAF COc1ccc(-c2cccc([C@H](CC(=O)O)c3ncc(C)s3)c2)c(F)c1 1772580221 NOOISAJSPLOLRA-KRWDZBQOSA-N 371.433 4.873 0 1 FJAF Cc1cc(Nc2ccc(F)cc2)n2nc(SCc3ccccc3)nc2n1 1772643315 NKBNWYFLECFJMN-UHFFFAOYSA-N 365.437 4.608 0 1 FJAF COc1ccc(-c2cnn(-c3ccccc3)c2-c2ccc(O)cc2O)cc1 1857756765 RTRQZUHJTLBODT-UHFFFAOYSA-N 358.397 4.626 0 1 FJAF COc1cc(OC)c([C@H]2C[C@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC 2382247088 MCHVUYOHANPNAG-HLNPZMCISA-N 352.446 4.707 0 1 FJAF Cc1ccc(CN(Cc2ccccn2)C(=O)Nc2c(F)cccc2F)cc1 2923624 MOFVWNDPGQCCGI-UHFFFAOYSA-N 367.399 4.903 0 3 FJAF CCCCCCOC[C@@H](CC(F)(F)P(=O)(O)O)OCCCCCC 13759996 BHSPLSNVNPCXBW-OAHLLOKOSA-N 374.405 4.709 0 1 FJAF CCOc1ccc(-c2nc(-c3cccc(C(=O)O)c3)cs2)cc1OCC 27106580 RVRRBTIATXNJLO-UHFFFAOYSA-N 369.442 4.973 0 1 FJAF Cc1nc2ccccc2n1Cc1ccc(C(=O)N(C)C2CCCCC2)cc1 27654865 YRKAWXIPOMLDMY-UHFFFAOYSA-N 361.489 4.798 0 1 FJAF CCN(CC)CCCCCCNc1cc(OC)cc2c(C)cc(OC)nc12 28021675 JGCKVMCDYRSVQY-UHFFFAOYSA-N 373.541 4.875 0 1 FJAF CC1=C(C(=N)S)[C@H](c2ccccc2F)C2=C(O)c3ccccc3C2=N1 33567514 GSDGSISPQVUOOC-INIZCTEOSA-N 350.418 4.876 0 1 FJAF CNc1ccc2cc(NC(=O)CCc3ccc(C(F)(F)F)cc3)ccc2n1 36351769 VXMXEDWIHDHRKH-UHFFFAOYSA-N 373.378 4.867 0 1 FJAF N=C(N)c1cc2cc(-c3cccc(OC4CCCC4)c3O)[nH]c2cc1Cl 38377599 QXAURVOBXQBPAP-UHFFFAOYSA-N 369.852 4.799 0 1 FJAF in-vivo Nc1nccn2c(C3CCC3)nc(-c3ccc(Cc4ccccc4)cc3)c12 95581340 KNIYAXLISPGCDY-UHFFFAOYSA-N 354.457 4.837 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5F)C[C@@H]3N4)cc2)cc1 100108519 SQEFUJPOPMDWMY-LNWKWYTESA-N 372.487 4.741 0 1 FJAF Cc1ccc2[nH]c(CSc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 103185621 ANLRWQCIMQYDIX-UHFFFAOYSA-N 356.838 4.867 0 1 FJAF CCc1nc(-c2ccccc2Cl)cc2cnc(NC(=O)C3CC3)cc12 169700072 LBSCSPVPNWQYLR-UHFFFAOYSA-N 351.837 4.861 0 1 FJAF COc1ccc(-c2c[nH]c3ncc(-c4ccc5c(c4)OCO5)cc23)cc1OC 299827545 KXMHQLRHICRNTD-UHFFFAOYSA-N 374.396 4.643 0 1 FJAF Cc1cc(=O)n(C)cc1-c1cnc2[nH]c(-c3c(F)cccc3Cl)cc2c1 299857139 CQBLZTCCUSPBGM-UHFFFAOYSA-N 367.811 4.697 0 1 FJAF C[C@@H](Cn1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21)c1ccccc1 473136299 POHBZOWFKKKOKO-ZDUSSCGKSA-N 363.852 4.533 0 1 FJAF Nc1ccc(-c2ccc3nc(CCc4cc5ccccc5o4)[nH]c3c2)cc1N 586906335 BOBUXWHAONGAHU-UHFFFAOYSA-N 368.440 4.926 0 1 FJAF CC[C@@H](C)[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989585 BVMNMASEVZXDPG-WBMJQRKESA-N 371.436 4.797 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3ccccc3N(C)C(=O)c3ccccc3N)nc12 587198072 GCAURXAKYYWAHG-UHFFFAOYSA-N 370.456 4.706 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCO4)nc3cccc1c23 587209379 OWNUFRDQEOQHJM-UHFFFAOYSA-N 351.361 4.842 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1OCC1CC1)CC2=O 587482377 SVUJSMDBQNVYAX-NRFANRHFSA-N 352.430 4.840 0 1 FJAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2ccc(O)cc2O1 587530084 AVJHKNCYDKIWLX-HSZRJFAPSA-N 364.441 4.693 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1Cl 587570410 WQQOWAKUBYQQDW-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF COC(=O)C(=O)c1c(-c2cc(Cl)ccc2Cl)[nH]c2cccc(F)c12 587633205 UZLATQAPJRRPNA-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cncc3ccccc23)N1 587777283 GNRCPOCYRCFTCL-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccs2)N1 587850217 CVZRWVHTVQKWKB-QLJPJBMISA-N 354.288 4.642 0 1 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](c3ccc[n+]([O-])c3)CC[C@@H]12 1772582605 XGHSVMFGCIFTGH-NQQYONMLSA-N 369.549 4.807 0 1 FJAF COc1cc(-c2n[nH]cc2-c2cc3ccccc3s2)cc(OC)c1OC 1857584087 ZNSDTQGSYCXNAV-UHFFFAOYSA-N 366.442 4.984 0 1 FJAF COC(=O)CC=C[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 1857621839 ZNXUGWNPKPHYLU-KSSFIOAISA-N 369.299 4.746 0 1 FJAF CCOCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1 61949084 XFQYVUGUBOVZLY-UHFFFAOYSA-N 353.466 4.645 0 3 FJAF Cc1c(N2CCN(C)CC2)nc2ccc(Cl)cc2c1-c1ccccc1 1623109 NZQWFHXJDJCBPA-UHFFFAOYSA-N 351.881 4.615 0 1 FJAF CCN(CC)CCC(=O)N[C@H]1c2ccc(Cl)cc2Oc2c(C)cccc21 5807578 HDMNGWOXOWJJKZ-FQEVSTJZSA-N 372.896 4.692 0 1 FJAF CCCOc1cc(N)c(Cl)cc1C(=O)CCCCN1CCCCC1 26488947 PCNPLBNJGWTEHA-UHFFFAOYSA-N 352.906 4.550 0 1 FJAF O=C(CCCCCCc1ccccc1)c1ncc(C(=O)N2CCCCC2)o1 34803772 FZYNDZPFUPHGRM-UHFFFAOYSA-N 368.477 4.677 0 1 FJAF CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cc(OC)cc2C)c1=O 43120152 PHDMYFXOPRZSPM-OAHLLOKOSA-N 361.873 4.627 0 1 FJAF O=C1NC(=O)[C@H](Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)S1 45358469 FGWXKQPDHTZNHB-AWEZNQCLSA-N 368.241 4.680 0 1 FJAF O=C1c2ccccc2-c2nccc3c(OCCCN4CCCCC4)ccc1c23 71420888 AQQCKOMUSAPZEU-UHFFFAOYSA-N 372.468 4.701 0 1 FJAF Cc1ccc(C(CC[C@H](N)C(=O)O)(c2ccccc2)c2ccccc2)cc1 84617447 SNWPAIZRMSCBKP-QFIPXVFZSA-N 359.469 4.522 0 1 FJAF C=C(c1ccccc1)c1cc2c(N)nc(-c3nc(C)cs3)nc2s1 96908911 DFBNAUSKOWYPSJ-UHFFFAOYSA-N 350.472 4.767 0 1 FJAF O=C(O)c1cc(-c2ccc(Oc3nccs3)cc2)nc2ccc(F)cc12 96923844 SJFFZIHLWAUPIE-UHFFFAOYSA-N 366.373 4.988 0 1 FJAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5F)C[C@@H]3N4)cc2)c1 100105932 UUPQKGHNMUGJFM-QEIWAGNOSA-N 372.487 4.741 0 1 FJAF O=C(O)c1ccc2nc(-c3ccccc3)c(-n3ccc4ccccc43)nc2c1 116230216 OIRPGAZNLOQRDX-UHFFFAOYSA-N 365.392 4.939 0 1 FJAF CC(=O)O[C@H]1C=C(C(=O)O)[C@]2(C)CC[C@@H](C)[C@](C)(CCc3ccoc3)[C@H]2C1 238781919 YIWQRXOLZOSKOP-POUUYTLGSA-N 374.477 4.617 0 1 FJAF Nc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(O)cc3)C2)cc1 299824332 JSORGUPHUSFWMM-OAQYLSRUSA-N 363.848 4.984 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccncc1)[C@@H]2O 299870329 SOWVSBMETYFGLF-UTCKLEKCSA-N 361.485 4.698 0 1 FJAF in-vivo CCCOc1cc2nc([C@H]3CCCC(=O)CC3)[nH]c2cc1Br 586884628 QVGITHCQPKMHHV-NSHDSACASA-N 365.271 4.731 0 1 FJAF CN(C)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586987198 BMTNOOHJEZCUAG-UHFFFAOYSA-N 366.420 4.885 0 1 FJAF O=C1CCc2cc3nc(/C=C/c4cccc(Cl)c4Cl)[nH]c3cc2N1 587053283 BIUHVVDYVGEORI-GQCTYLIASA-N 358.228 4.925 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2c(F)cnc(Br)c2[nH]1 587155212 KMPHNUHIBZTBNE-SNVBAGLBSA-N 368.181 4.529 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350350 DOUSCSIGXBVLOK-NQHNINOMSA-N 364.416 4.861 0 1 FJAF CC(=O)CC[C@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350815 FNIQKSUSOAAGFS-IFMALSPDSA-N 370.420 4.654 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1OC 587496124 BPBIUWSBVIFBEL-GOSISDBHSA-N 372.848 4.943 0 1 FJAF CCN(CC)CC1([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CCCC1 587507877 UPRYFMQVCDUHNN-NRFANRHFSA-N 355.522 4.801 0 1 FJAF CCn1ccnc1[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511545 HLEUWKKKONYDSU-XMMPIXPASA-N 372.468 4.691 0 1 FJAF CCc1ccc2occ([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587532061 MNJZNQFWSCOIHC-JOCHJYFZSA-N 374.436 4.941 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605123 XNEPNPSAVBDBIT-ZJSXRUAMSA-N 372.420 4.894 0 1 FJAF OCc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2c1 587783935 JLDSTQAATDOAQW-UKTHLTGXSA-N 356.425 4.805 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccccc1Cl 587868087 JCFFIAUPQISLGX-UHFFFAOYSA-N 367.758 4.674 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(-c2ccccc2)s1 587872222 KWEZVWARWZPILF-UHFFFAOYSA-N 366.421 4.596 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccccc1OCC(F)(F)F 963257116 HJDYOXMXVMTVEH-QGZVFWFLSA-N 371.786 4.525 0 1 FJAF CCC[C@H](Nc1nnc(C)c(-c2ccc(O)c(OC)c2)n1)c1ccccc1 1772598127 YRVWSINBWCLPCS-KRWDZBQOSA-N 364.449 4.515 0 1 FJAF CCOC(=O)c1c(C=CCCCCO[C@H]2CCCCO2)cccc1OC 1857622834 VKIKPGQXASGXBU-LJQANCHMSA-N 362.466 4.599 0 1 FJAF CC(C)(C)c1ccc(-c2cnnc(Nc3ccc4c(c3)OCCO4)c2)cc1 14974032 BFCQRTUYCVYKHS-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF Clc1cccc([C@H]2[C@@H](NCc3ccccc3Cl)C3CCN2CC3)c1 22939057 UIAXBDBJUGFIIR-PMACEKPBSA-N 361.316 4.919 0 1 FJAF C[C@]12CC[C@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1C(F)(F)F 28526667 STCJOUJYTRRLKN-PWDMQXDWSA-N 362.395 4.704 0 1 FJAF CSCc1cc(/C=C2\C(=O)Nc3ccccc32)cc(CSC)c1O 34136341 HXAVERUVVZQIGE-SXGWCWSVSA-N 357.500 4.611 0 1 FJAF Cc1nc2ccc(NC(=O)c3ccc(-c4ccc(F)cc4)nc3C)cc2[nH]1 40405816 XICFBHNSJRGZGR-UHFFFAOYSA-N 360.392 4.633 0 1 FJAF CCCCOc1cc(NC(=O)N[C@@H]2CCc3ccccc32)ccc1OC 95559847 QYAHXNNZUOPOET-GOSISDBHSA-N 354.450 4.683 0 1 FJAF CC1=CC2=Nc3cc(C)c(N)cc3N(c3ccccc3C)[C@H]2C=C1N(C)C 100763111 GRONHHASLLGOHW-QHCPKHFHSA-N 358.489 4.884 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccccc1 104056561 CCSPNLSKQGARHA-CQSZACIVSA-N 353.447 4.508 0 1 FJAF C[C@H]1c2[nH]c3c(-c4ccccc4)cccc3c2Cc2c(O)n(C)c(=S)n21 169729587 FQQIHAWIGLGIHO-LBPRGKRZSA-N 361.470 4.923 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(OC(C)C)cc2[nH]1 586915139 BCKWYEVCNLDMCU-VGSWGCGISA-N 364.445 4.567 0 1 FJAF C[C@@H]1CCc2sc(-c3nc4cc(F)c(-n5cccn5)cc4[nH]3)cc2C1 587033770 MPANOUPUWXSBHK-LLVKDONJSA-N 352.438 4.741 0 1 FJAF COC(=O)c1cccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587049471 LVNFRWIWOZZNTO-QWRGUYRKSA-N 361.228 4.927 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(C)c2[nH]1 587066418 BKRUEBXIZNRDKG-UHFFFAOYSA-N 350.647 4.996 0 1 FJAF CCOC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@@H]1C)-c1ccccc1C4=O 587097254 JZPZCUIKKZBKAC-UGSOOPFHSA-N 371.436 4.594 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@@H](C(=O)O)C[C@@H]41)-c1ccccc1C2=O 587100456 ACFQCXSZBBUQGU-OGHNNQOOSA-N 369.420 4.505 0 1 FJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587195774 MPGNWLSCWWIPHY-SNVBAGLBSA-N 351.347 4.939 0 1 FJAF Cc1cncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587341345 WDRBCZNVCMSHDC-IFMALSPDSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1N1CCCC1)O2 587375615 NLPDYYZZJTVWCW-GOSISDBHSA-N 356.853 4.537 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Cl)ccc(C)c3n1)O2 587380232 RAOYCJFBDBKLEK-SFHVURJKSA-N 352.821 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc(F)c1C(F)(F)F)O2 587382468 QANPXZUZGZBJSS-GFCCVEGCSA-N 367.342 4.702 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587469680 OOSYPUNOZVDCOA-KGSNELEXSA-N 357.450 4.640 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1F 587570784 YOHHBNUOQDBRGI-UZLBHIALSA-N 370.763 4.888 0 1 FJAF C[C@@]1(c2cccc3[nH]ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589028 MQCGUNOMYLMHAF-OFNKIYASSA-N 371.392 4.751 0 1 FJAF Cc1ccc(C[C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814579 ULJHKAXMXZSWLX-DJJJIMSYSA-N 362.286 4.889 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=S)c1ccccc1 587864353 YGMXQOIOJYBMHK-UHFFFAOYSA-N 362.376 4.801 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](C)Oc1ccc(C)cc1 587870688 PHXSBNGYFWHLMD-OAHLLOKOSA-N 368.408 4.504 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587950499 BMLPWQRLUMSHIO-GYSYKLTISA-N 352.381 4.931 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cc(Br)cnc2[nH]1 587952481 RVWRDGJUGGZIAM-JKOKRWQUSA-N 352.276 4.767 0 1 FJAF CN1N=C2c3cc(O)ccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1ccccc1 653865359 RDFGPWJUUHXDJX-AKIFATBCSA-N 356.425 4.533 0 1 FJAF C[C@@]1(c2ccccc2-n2cccn2)NCCc2cccc(-c3ccccc3)c21 962666584 KRYWPBYKQYRAEP-VWLOTQADSA-N 365.480 4.949 0 1 FJAF Cc1ccc(Cl)c2c1[C@]1(NCCc3cc(-c4ccccc4)ccc31)C(=O)N2 962667417 LOONRYIDMKHINL-QHCPKHFHSA-N 374.871 4.657 0 1 FJAF Cc1c(Cl)cccc1COc1ccccc1C(=O)Nc1cccnc1 1857557171 NUAYNZIKDGIMKW-UHFFFAOYSA-N 352.821 4.875 0 1 FJAF COc1cccc(-c2ccc(CNCCc3cn(C)c4ccccc34)o2)c1 1857567272 JHVJIOXCJMIFEF-UHFFFAOYSA-N 360.457 4.779 0 1 FJAF CCc1ccc([C@@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ccccn2)s1 1857753603 YRLVYYTXZPEBCJ-OAQYLSRUSA-N 373.481 4.657 0 1 FJAF Cc1cc(Oc2cccnc2)ccc1NC(=O)Cc1c[nH]c2ccccc12 199264414 VKERMLXRXOJYMO-UHFFFAOYSA-N 357.413 4.845 0 3 FJAF CN(C)c1ccc(-c2cc3ncccc3c(NCc3ccccc3N)n2)cc1 13489193 CSZMADNBNGHEAU-UHFFFAOYSA-N 369.472 4.557 0 1 FJAF O=C(CCCCCC(=O)Nc1cnc2ccccc2c1)Nc1ccccc1 38788949 MVRRPDRDZDYPJF-UHFFFAOYSA-N 361.445 4.763 0 1 FJAF Nc1ccccc1Cn1c(C(F)(F)F)nc2cc(Cl)c(Cl)cc21 73198812 SBEVLCUMPQRPRY-UHFFFAOYSA-N 360.166 4.992 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1ccc(Br)cc1 84740376 OWIWHMHHMWMTLR-UHFFFAOYSA-N 356.672 4.899 0 1 FJAF CCOC(=O)C1=C(c2ccccc2)N=C(C)/C(=C(/O)SCC)[C@@H]1CC 100038033 XRXAVFJTJSFNTQ-QOBDKFOYSA-N 359.491 4.984 0 1 FJAF CC(C)Cc1ccc(CN2CCC[C@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114335061 YCZBQURQZXYEHI-QFIPXVFZSA-N 362.521 4.838 0 1 FJAF COc1cccc(Nc2ncnc3ccc(-c4ccc(O)c(OC)c4)cc23)c1 143238877 SEOLDYFMKMKGLS-UHFFFAOYSA-N 373.412 4.763 0 1 FJAF CC(=O)N[C@H](C)Cc1ccc(C2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 149629037 YUNCIWYGSVOQIQ-QGZVFWFLSA-N 364.533 4.655 0 1 FJAF Cc1cc(NC(=O)Nc2cc([C@H]3C[C@@H]3C)nn2CC(F)(F)F)ccc1F 299827162 OZNVAQFXGNOYPW-CABZTGNLSA-N 370.350 4.660 0 1 FJAF O=C(Cc1ccc(-c2ccc3nccn3c2)cc1)Nc1cccc(Cl)c1 299831769 RIYRNJGXXKOANT-UHFFFAOYSA-N 361.832 4.836 0 1 FJAF Nc1ccc(-c2ccc3nc([C@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1N 586885733 CVCGECLLEWGSSE-HOYKHHGWSA-N 366.468 4.766 0 1 FJAF Oc1ccc(C2(c3nc4cc(Cl)cc(Br)c4[nH]3)CC2)cc1 586896744 WWSWUZZTUXKFTO-UHFFFAOYSA-N 363.642 4.764 0 1 FJAF Cc1cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c2cc1Cl 586985059 XYZIUMDFIIRUEW-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF CC1(C)[C@H]2C[C@H]1[C@@](C)(O)c1nc3ccc(O)c4c3c(c12)-c1ccccc1C4=O 586991474 NWWXXSIVUOOJKM-CNAJZPKWSA-N 371.436 4.503 0 1 FJAF Fc1cc2[nH]c(C3(Cc4ccc(Cl)cc4)CC3)nc2cc1-n1cccn1 587073512 KAMRQADRAZYHIM-UHFFFAOYSA-N 366.827 4.815 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)ncc2[nH]1 587192502 UVAWCAVYGNKMKF-INIZCTEOSA-N 372.856 4.568 0 1 FJAF O=C(O)CC[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205684 CJKDGYOMZLIOJC-CYBMUJFWSA-N 357.409 4.731 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)c(Cl)c1)CC2=O 587462762 SLURSOJEAOXZPL-HNNXBMFYSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@@H]3CCCO3)s1)CC2=O 587492313 CBOJNEYWKQOKFW-DLBZAZTESA-N 358.459 4.964 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CS[C@H](c3cccs3)C1)CC2=O 587494337 LKNYVXAWPIVZGU-HKUYNNGSSA-N 360.500 4.988 0 1 FJAF COC(=O)c1ccc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504888 IPQMTBBJBBPPDY-LJQANCHMSA-N 370.832 4.712 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC(F)F)c1 587508998 VLQOAEUJPDIIOI-IBGZPJMESA-N 374.383 4.882 0 1 FJAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587557580 NMINLRYURBWZIL-KNQAVFIVSA-N 364.372 4.717 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3c(F)cccc3F)c(C(=O)C(=O)OC)c2c1 587640927 GSVYOKWAVIZDEY-NSHDSACASA-N 371.383 4.982 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2F)N1 587714389 FJHBKIXDTLAFSJ-HYORBCNSSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)cc(F)c2F)N1 587716718 JTAATTWHRPXKPP-HYORBCNSSA-N 374.175 4.629 0 1 FJAF Cc1ccc(C(C)C)n1-c1cc(Br)cnc1Br 587941911 YXKRNJZHUCAMAQ-UHFFFAOYSA-N 358.077 4.829 0 1 FJAF Cc1cccc(C)c1CC[C@@]1(C2CCC2)NCCc2c(C(=O)O)cccc21 963129930 HBMXUKQNFBGAHG-DEOSSOPVSA-N 363.501 4.776 0 1 FJAF CN1CCc2cnn(C)c2[C@@]1(c1cc(F)cc(Cl)c1)C1CCCCC1 963954527 LLEAVWVDJQJIER-FQEVSTJZSA-N 361.892 4.524 0 1 FJAF Nc1nc(N)c2c3c(Sc4cccc5ccccc45)cccc3nc-2[nH]1 1772615529 IUCBNZCMMDEDRD-UHFFFAOYSA-N 357.442 4.532 0 1 FJAF COC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1CCC=C2C(=O)OC 2356578469 SSKGFFRRTKSHDY-PWZKMPOXSA-N 360.494 4.791 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1ccc(OC(C)=O)c(OC)c1)O2 2356641567 ULUHHHUHNYTNGV-YEJXKQKISA-N 368.429 4.899 0 1 FJAF CC(=O)N[C@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2C)cs1 61908891 ZZBQGBJILUBCIH-GOSISDBHSA-N 358.413 4.622 0 3 FJAF CCO[C@@H](c1ccccc1)c1ccc2c(c1)CN(Cc1ccoc1)CCO2 12163695 PLQNAZBKFXSMLW-QHCPKHFHSA-N 363.457 4.800 0 1 FJAF COc1c2c(c3c(=O)occc3c1OC)CC[C@@H]1C(C)(C)CCC[C@@]21C 13483206 WKJIVSUNCMEFJU-IVZQSRNASA-N 356.462 4.840 0 1 FJAF biogenic C=C=CS(=O)(=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 28015694 HRSXVEFTZAQPAV-BLQWBTBKSA-N 374.546 4.600 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1-c1cccnc1 28528202 HBDCNILCSISVQF-OBFMXLEASA-N 371.484 4.747 0 1 FJAF COC(=O)/N=c1/[nH]c2cc(Cl)c(Oc3cccc4ccccc34)cc2[nH]1 40379644 FRFSZFAWXNDKAV-UHFFFAOYSA-N 367.792 4.762 0 1 FJAF c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnc2)cc1 87612861 ARWCHMOSESFXRO-NRFANRHFSA-N 367.412 4.801 0 1 FJAF O=C1C[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1 102963350 QLIGVACFWXGFCQ-LJQANCHMSA-N 366.420 4.882 0 1 FJAF Cc1nccn1C(=O)c1cc(-c2cc3ccccc3o2)nc2ccccc12 103191920 DZMCNTMPCSQNEV-UHFFFAOYSA-N 353.381 4.841 0 1 FJAF COc1cc(CN=O)cc(Br)c1OCc1cccc(Cl)c1 169690442 GXQXWZIJFSGNOH-UHFFFAOYSA-N 370.630 4.957 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cnc(Cl)cc3[nH]2)cc1 586878700 IWIZPPDLRDUBKY-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Cc1c(Br)cc2nc(-c3ccc(O)cc3Cl)[nH]c2c1C 587057990 YYQVAZOCYYTVNO-UHFFFAOYSA-N 351.631 4.968 0 1 FJAF Clc1ccc2ccn(Cc3nc4cccc(Br)c4[nH]3)c2c1 587081406 UVZQGWWFPSBRAZ-UHFFFAOYSA-N 360.642 4.982 0 1 FJAF Cc1nc2c(C)ccc3c2c(c1CCCCC(=O)O)-c1ccccc1C3=O 587101898 XBPVZCGGTBRAJF-UHFFFAOYSA-N 359.425 4.860 0 1 FJAF N[C@@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@H]1c1ccccc1F 587159150 ZVMOHTGBIKFUPM-ZBEGNZNMSA-N 367.371 4.655 0 1 FJAF OCc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164435 QPIVTLGUNCXKQF-MHWRWJLKSA-N 350.418 4.845 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cccc(C(F)(F)F)c3n1)O2 587383799 VMGOTMBGYDJIDT-QGZVFWFLSA-N 372.346 4.851 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(C)c4C)nc1)[C@@H](C2)C3=O 587435107 CJQCRBXLBWTSIJ-YADARESESA-N 371.436 4.863 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccc(C)cc4)nc1)[C@@H](C2)C3=O 587435799 KKCOBUMMIOLWMY-MBSDFSHPSA-N 373.408 4.680 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cccc(OC)c31)CC2=O 587484146 WXXAZROQIFAVKA-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(OC)c3ccccc13)CC2=O 587488281 IORDYERZRQIQFO-FQEVSTJZSA-N 363.413 4.608 0 1 FJAF CC1(C)[C@@]2(C(=O)O)CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C2 587528516 ATQVHTSECRDDLX-XPWALMASSA-N 368.473 4.570 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2cc(F)ccc12 587634318 VEIRBGOQIGAQHJ-UHFFFAOYSA-N 355.262 4.707 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)cc2F)N1 587714395 FJHBKIXDTLAFSJ-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)cc(F)c2F)N1 587716714 JTAATTWHRPXKPP-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF O=C(Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)OCc1ccccc1 587782356 SUJSWQQWDMFWJO-UHFFFAOYSA-N 368.742 4.521 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccccc23)N1 587801461 GQWTYYPBTIYIFI-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF COc1ccc(C2(c3nc4c(Cl)ccnc4[nH]3)CC3(CCC3)C2)cc1 587938392 WDMMZMPUDISOFL-UHFFFAOYSA-N 353.853 4.870 0 1 FJAF CCCCC[C@@H]1[C@@H](CC(=O)OC)CC[C@]12NCCc1c2sc(C)c1C 963034272 YWTOWAPBTODHQW-BLIXFSHQSA-N 363.567 4.876 0 1 FJAF COc1cc(C[C@H]2COC[C@@H]2Cc2ccc(Cl)c(Cl)c2)ccc1O 1772617263 FLMLWZDHOHXBQY-GJZGRUSLSA-N 367.272 4.755 0 1 FJAF Fc1ccc(C2=Nn3c(Cc4ccc5ccccc5c4)nnc3SC2)cc1 1772638804 NSKNSLJCXFCWQT-UHFFFAOYSA-N 374.444 4.519 0 1 FJAF CCOC(=O)c1c(-c2cccc(Br)c2)oc2ccc(O)cc12 1857765196 AJUFJIRRYLVRCU-UHFFFAOYSA-N 361.191 4.745 0 1 FJAF Nc1ccc2sc(NC(=O)c3sc4ccccc4c3Cl)nc2c1 2382217372 IEONANNGKVKOGY-UHFFFAOYSA-N 359.863 4.999 0 1 FJAF CN1CCC[C@H]1CCNC(=O)c1c(-c2ccsc2)sc2ccccc12 61948011 ZJMHETTYTGNCIK-HNNXBMFYSA-N 370.543 4.844 0 3 FJAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773763 LXOFPFQSOTZFBK-LBPRGKRZSA-N 358.438 4.984 0 1 FJAF CCCC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1 3833917 CASKRFNHTJMXKQ-UHFFFAOYSA-N 374.484 4.711 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13470042 IPMUIEOKKFRJCK-WKRVNPTQSA-N 370.487 4.907 0 1 FJAF CN1C[C@@](O)(c2ccc3c(c2)Nc2ccccc2S3)Oc2ccccc21 169307111 JJNOHYXMRHTEEN-NRFANRHFSA-N 362.454 4.569 0 1 FJAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(F)cc3)C2)cc1C 169728211 XJZKFKOZPJRMIU-SFHVURJKSA-N 367.449 4.960 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253632623 CCQPFCCZWSBRTL-KCWRVKENSA-N 361.441 4.755 0 1 FJAF CCCCCCOc1cccc2cc(C(=O)NC3CCCCC3)c(=O)oc12 299856790 CCXWIMBKZBAZSH-UHFFFAOYSA-N 371.477 4.815 0 1 FJAF O=[S@]1C=CC(c2ccc(O)cc2Cl)=C1c1ccc(O)cc1Cl 584905454 UXPFSXONZPFVSC-QFIPXVFZSA-N 353.226 4.549 0 1 FJAF in-vitro COc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc2c1 586881062 SXSSUJXKABEKSV-UHFFFAOYSA-N 358.397 4.912 0 1 FJAF Cc1cc2nc(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)[nH]c2c(C)n1 586881109 UHJOJHBKOWNFJC-UHFFFAOYSA-N 357.413 4.915 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cc(Br)cnc4[nH]3)c2)cc1 586898796 OXKGCTRINYKHAD-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587058991 KOKUZNNVINKYDY-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF COc1cc(Cl)ccc1-c1nc2cc(C)cc(Br)c2[nH]1 587065972 BOMPUIBKKACTPY-UHFFFAOYSA-N 351.631 4.963 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2c1F 587068393 UWGPAEDXFKXGKF-UHFFFAOYSA-N 366.705 4.830 0 1 FJAF Cc1c(Br)ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081429 VYDLONGFLLMLLM-AWEZNQCLSA-N 363.642 4.963 0 1 FJAF Fc1cc(Br)cc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c1 587161245 NUAZNQHVEGBDQF-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1c(-c2ccc(OCCCCC(=O)O)cc2)nc2cccc3c2c1CC3 587211823 LMDLBRICBAPMCG-UHFFFAOYSA-N 361.441 4.943 0 1 FJAF CCOC1=C[C@@]2(CCC1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351447 MUWDGWJETIWWOH-RBBKRZOGSA-N 368.404 4.733 0 1 FJAF C[C@@]1(c2c(N)sc3c2CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587536118 RMVADHIMOKDMEE-NRFANRHFSA-N 353.487 4.578 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2F)N1 587731767 ZRHXJPPKCIGAAP-ZMZPIMSZSA-N 366.249 4.719 0 1 FJAF COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1OC 587927325 PGNAWDWTSFLRKO-UHFFFAOYSA-N 370.758 4.843 0 1 FJAF CC(C)c1cc(OC(C)(C)C)n(-c2ccnc(Br)c2)c1O 587940233 NTOUGTSXDOOHOW-UHFFFAOYSA-N 353.260 4.641 0 1 FJAF Fc1c([C@H]2NCCc3c(Cl)cc(Cl)cc32)cnn1-c1ccccc1 963123104 PFUFJYZQXOPNQY-KRWDZBQOSA-N 362.235 4.553 0 1 FJAF COc1cccc(F)c1-c1cccc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772581843 WXTJBKAAZWIABZ-HNNXBMFYSA-N 371.433 4.873 0 1 FJAF COc1ccc(CN2CCC(F)(F)[C@H](CCc3ccccc3)C2)cc1F 1772609237 ZCEZESWKLAURKG-GOSISDBHSA-N 363.423 4.924 0 1 FJAF CC(=O)Nc1ccc(Oc2ncccc2-c2nc3ccncc3s2)cc1 1857560870 RCNCAGCWVSPJGG-UHFFFAOYSA-N 362.414 4.504 0 1 FJAF COc1ccc2c(c1)[nH]c1c(N3CCC[C@@H]3Cc3ccccc3)nccc12 1857758208 IXAKWBUXXOLWDC-QGZVFWFLSA-N 357.457 4.936 0 1 FJAF O=C(Nc1ccccc1)[C@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1 1911580855 MAHNWXPHOIMAJA-LBPRGKRZSA-N 368.786 4.824 0 1 FJAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61903391 ZAHMJYRORRFPPM-QGZVFWFLSA-N 360.841 4.828 0 3 FJAF COc1cccc2c1-c1ccc3c(c1[C@@H](CC(=O)O)O2)C(C)=CC(C)(C)N3 13470752 HXGINZRMCUIHOF-QGZVFWFLSA-N 365.429 4.878 0 1 FJAF C[C@H](Cc1ccncc1)N(C)C(=O)Nc1ccc(Oc2ccccc2)cc1 13863330 RGEGOFLLWVRBMG-QGZVFWFLSA-N 361.445 4.969 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(CCCc2ccccc2)C1 27872298 XMTOGORZONLFJZ-JOCHJYFZSA-N 350.506 4.527 0 1 FJAF Cc1ccccc1-c1csc(N2CCC[C@H]2C(=O)NC2CCCCC2)n1 82192001 DFNDKJASIUEJSC-IBGZPJMESA-N 369.534 4.536 0 1 FJAF CCCCCn1ccc2cc(-c3cc(-c4ccccc4)cc(=O)n3O)cnc21 95564176 OCLGWFAOMNZCGA-UHFFFAOYSA-N 373.456 4.960 0 1 FJAF Cc1cc2c(cc1Br)NC(=O)[C@@H]2c1[nH]c2ccccc2c1N=O 169685109 AUSZHFWTWGWYQN-AWEZNQCLSA-N 370.206 4.721 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@]4(C)[C@H]3CC[C@]12C 253634912 QHNHXSFBBNVOAL-LEYDWFDHSA-N 374.613 4.808 0 1 FJAF c1ccc([C@@H]2C[C@@]3(N4CCCCC4)CCN[C@H]2[C@@H](c2ccccc2)C3)cc1 299812387 YXXLFRSJUIWSJG-UCDDGIFISA-N 360.545 4.934 0 1 FJAF Cc1c(-c2ccc(Cl)nc2)noc1-c1ccc2c(c1)CN(C(C)C)C2=O 299859679 YGPBCUOPOLYCCX-UHFFFAOYSA-N 367.836 4.730 0 1 FJAF CC[C@H](C)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989582 BVMNMASEVZXDPG-BLLLJJGKSA-N 371.436 4.797 0 1 FJAF Cc1c(F)ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c12 587029062 GTDUFFMBJCWNFB-UHFFFAOYSA-N 363.421 4.532 0 1 FJAF COc1cccc(-c2ccc(-c3nc4nc(Cl)c[nH]c-4n3)c(Cl)c2)c1 587051833 FVRBNBAEHBURMU-UHFFFAOYSA-N 371.227 4.954 0 1 FJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)c(F)cc2[nH]1 587109667 RODGNRDZBUDEPC-UHFFFAOYSA-N 358.678 4.739 0 1 FJAF FC(F)(F)c1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cn1 587120219 CUQXGDQASXEAGO-UHFFFAOYSA-N 371.244 4.539 0 1 FJAF C[C@]1(CCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356545 PZSPLVWXSCFDHI-RBBKRZOGSA-N 366.388 4.875 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(c3cccc(Br)c3)C1)O2 587370190 BWJMNHRVSDEUHL-UHFFFAOYSA-N 372.262 4.621 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccccc3c(C=O)c1Cl)O2 587377916 KZDWZTAOQWIPME-IBGZPJMESA-N 365.816 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)cc3C)o1)O2 587384458 DNDFXIHRNNQSSH-HXUWFJFHSA-N 351.377 4.991 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]nc1-c1ccc(C(C)C)cc1)O2 587397604 YIZXGTMXNFSSRR-FQEVSTJZSA-N 361.445 4.797 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC=C(C)C)cc1)[C@@H](C2)C3=O 587444043 RGNLAXBQPRSCKV-PGRDOPGGSA-N 350.414 4.529 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(O)c(C)c4)c1)[C@@H](C2)C3=O 587448841 GTWVIQZBHTWTDX-YADARESESA-N 372.420 4.865 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(OC)c(F)c1)CC2=O 587465027 FEUGOSJRXVKQGP-HXUWFJFHSA-N 362.372 4.512 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cc(C)ccn1)CC2=O 587471231 OYBWFFGSXPJZEE-HXUWFJFHSA-N 362.429 4.545 0 1 FJAF C[C@@]1(c2ccc(C(F)(F)F)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505491 HIINSWUJIFPEAH-IBGZPJMESA-N 361.363 4.860 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3c(Br)ccnc3[nH]2)cc1 587564719 OXPHWSQTHYZHHH-UHFFFAOYSA-N 374.282 4.987 0 1 FJAF CC[C@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587568046 KDHVVALFMQFSBN-DENIHFKCSA-N 364.372 4.798 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H]1CCCc2ccccc21 587604124 RETWMFCULIXDMM-JBUDQFAYSA-N 372.420 4.843 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCC(F)(F)F)N1 587710896 UZRPRYGEDRRACM-AMIZOPFISA-N 354.185 4.896 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(F)cc2F)N1 587726193 VYEFXNUYJIZOIV-VFZGTOFNSA-N 370.212 4.684 0 1 FJAF Cc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731337 ZAQVZQJYJPMOQY-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF CC[C@]1(Cc2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587831537 XSEUJVRZIUOVOC-APPDUMDISA-N 352.247 4.563 0 1 FJAF FC(F)(F)Oc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587951666 XSEMIUKSLRZWLF-UHFFFAOYSA-N 366.383 4.947 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2cncc(Br)c2[nH]1 587952185 MMYVBHBKPFTXLA-GYSYKLTISA-N 352.276 4.767 0 1 FJAF C[S@](=O)c1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1 962665420 HWQOJOUPTOHVFC-BVAGGSTKSA-N 361.510 4.500 0 1 FJAF C[C@]1(C(Cl)(Cl)Cl)c2ccsc2CCN1Cc1ccco1 962701739 DQKAUZZFOVVCEY-CYBMUJFWSA-N 350.698 4.985 0 1 FJAF c1ccn2c3c(nc2c1)CCN[C@@H]3c1ccc(SC2CCCCC2)o1 962986475 UKOJBVDDCDZTLA-LJQANCHMSA-N 353.491 4.587 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1ccc(COc2ccccc2)o1 963270289 OGMKBZOZHJDZKW-OAQYLSRUSA-N 369.848 4.756 0 1 FJAF O=C(N=c1ccn(Cc2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 2382242687 IBOWUMHJGAENJL-UHFFFAOYSA-N 357.240 4.584 0 1 FJAF CC(C)N1CCC[C@@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 61930700 QNCUUNANXNUYCM-JOCHJYFZSA-N 352.478 4.928 0 3 FJAF O=C(NC1CCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773337 SEXRHUHJUQALMU-UHFFFAOYSA-N 350.393 4.820 0 1 FJAF CC(C)c1nc(COC(N)=O)n(C)c1Sc1cc(Cl)cc(Cl)c1 5882374 FWSITQNMHYTXQJ-UHFFFAOYSA-N 374.293 4.597 0 1 FJAF COc1cccc2c1[C@H](CCCN1CCN(c3ccccc3)CC1)CCC2 13760533 ULGUNJHZINAMQR-NRFANRHFSA-N 364.533 4.718 0 1 FJAF CCCC/C(C)=C/C=C/[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28951571 SJKJSDLRYXXUDS-BJSAIBKMSA-N 355.478 4.611 0 1 FJAF CO[C@](c1ccc(Cl)cc1)(c1ccc2cnccc2c1)c1cncn1C 45253745 XICPVJDPXPEWJJ-OAQYLSRUSA-N 363.848 4.560 0 1 FJAF Clc1cccc(-n2cc(-c3ccccc3NCc3cccnc3)nn2)c1 45497040 MEQHVZGHLVJUIW-UHFFFAOYSA-N 361.836 4.595 0 1 FJAF CC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)cs1 72179598 QEILTUCEUPXHLF-UHFFFAOYSA-N 368.483 4.815 0 1 FJAF CC(C)N(Cc1csc(N)c1C(=O)c1ccc(Cl)cc1)C(C)C 96913292 BJPLDQWWNOIIRG-UHFFFAOYSA-N 350.915 4.834 0 1 FJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@H](c3cccc(Cl)c3)[C@H]12 102938138 NEFBVFIRHDIGMR-AEFFLSMTSA-N 357.240 4.666 0 1 FJAF COc1ncccc1N[C@H](c1cccnc1)c1c(C)[nH]c2cc(C)ccc12 103244948 MWRFNJNGUSICNX-OAQYLSRUSA-N 358.445 4.785 0 1 FJAF C[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2Cc1ccco1 169315303 HHFBCJPKJKDLMF-VEYWIMSWSA-N 359.469 4.738 0 1 FJAF CCN(CC)Cc1ccc(Cc2oc3cc(OC)c(OC)cc3c2O)cc1 169720553 MMCBOGCZFVPMQT-UHFFFAOYSA-N 369.461 4.588 0 1 FJAF COC(=O)[C@H](CCO)CCC1=C(C)[C@H](OC)C[C@H]2C(C)(C)CCC[C@]12C 238776841 UXSQCQDABWBTLB-YNFBMLRVSA-N 366.542 4.506 0 1 FJAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)c3cc(O)c(C(C)C)cc3C(=O)C[C@@H]12 299836451 NEXBWTLQWLIUMU-BHDDXSALSA-N 358.478 4.729 0 1 FJAF CC(C)c1cc(-c2nc3c(S)nc(S)nc3[nH]2)c(O)c(C(C)C)c1 586896858 RRDJJXWDSLQKBL-UHFFFAOYSA-N 360.508 4.550 0 1 FJAF O[C@@H]1C[C@@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586903430 OTXFUQILIRXVME-IUODEOHRSA-N 350.365 4.744 0 1 FJAF Cc1cc2nc(CCNc3ccc(Br)cc3)[nH]c2cc1Cl 586995328 KGBMEBKCDMEEOV-UHFFFAOYSA-N 364.674 4.942 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)s1 587013778 CEDIKVRZXNGOCF-SSDOTTSWSA-N 357.266 4.794 0 1 FJAF COc1cc(Cl)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587066020 DWHODZUDWLQPLJ-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF COc1nccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c12 587128153 HHLGXVRBPLOTIS-UHFFFAOYSA-N 358.373 4.695 0 1 FJAF CCCC[C@]1(CCCCC(=O)O)CC(=O)c2ccc(O)c(CCC)c2O1 587489069 MSWRQAPLRKOLPD-NRFANRHFSA-N 362.466 4.884 0 1 FJAF C/C(=C\[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587511042 IMYONTNFHXCZLG-VUNQTZOZSA-N 361.485 4.892 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2F)N1 587714455 FTZUJDXTURKZAW-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cncc(Cl)n1 587854673 HNTSXUZOSKGXIV-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF Cc1nc(-n2nc3cc2Oc2ccc(F)cc2-3)c2c3c(sc2n1)CCC3 587875333 DEFOHLQXBIOJPW-UHFFFAOYSA-N 364.405 4.586 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3cnn(C)c3c2)n1 653684765 KVESXJPIUPZVTP-HXUWFJFHSA-N 369.472 4.828 0 1 FJAF COc1cc(C)cc(OC)c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962657266 AIKONZMJPSWKQM-XMMPIXPASA-N 359.469 4.914 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(Cl)nc3sccn23)N1 962952589 VCTXYJNOGDIUTP-NSPYISDASA-N 370.909 4.718 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@H]2c1ccc(CSC(F)F)o1 963108744 YDHYDLGESRTXPW-SUMWQHHRSA-N 353.409 4.984 0 1 FJAF N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2cc(C(F)(F)F)ccc12 1857613642 BQQJBABUYOPYKD-UHFFFAOYSA-N 359.273 4.535 0 1 FJAF O=C(Nc1nc2ccc3ccccc3c2s1)c1coc2ccccc2c1=O 2483654 NYXUMJAIQKQIAK-UHFFFAOYSA-N 372.405 4.808 0 1 FJAF Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)c3cccc(F)c3)n2)c1 4376819 VWASJVQAKQNJRJ-GOSISDBHSA-N 365.408 4.552 0 1 FJAF Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3C[C@@H](C(F)(F)F)C[C@@H]32)cc1 14972442 CLYUNXJFERDYMU-TZJWZKGTSA-N 350.336 4.904 0 1 FJAF CC(C)(C)c1ncc(C(=O)Nc2cccc(C(F)(F)F)c2)nc1Cl 40955041 OITRXFQJXBGAQQ-UHFFFAOYSA-N 357.763 4.699 0 1 FJAF Cc1cccc(CNC[C@@H]2CCC[C@@H](CNCc3cccc(C)c3)C2)c1 45364871 QIBCTOUCKFDROF-DNQXCXABSA-N 350.550 4.989 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180966 PJSHHXYTVJRCTM-HNNXBMFYSA-N 369.488 4.790 0 1 FJAF FC(F)(F)c1cccc(Sc2ccc3nnc(C4CCCC4)n3n2)c1 95601192 AXBDDPJNLFYNPO-UHFFFAOYSA-N 364.396 4.952 0 1 FJAF CC(C)c1ccc(C2=C[C@H](c3ccc(C(C)C)cc3)n3nnnc3N2)cc1 102697987 LDCRURCEEVVMHI-OAQYLSRUSA-N 359.477 4.976 0 1 FJAF CC1(C)C[C@@H](NC(=O)Nc2cccc3cnccc23)c2cc(F)ccc2O1 118638335 FADLVMRJQZQOBL-GOSISDBHSA-N 365.408 4.798 0 1 FJAF NCCCNCCCNCC1CCCCCCCCCCCCCC1 169330870 IWMBYYQYKQRBAA-UHFFFAOYSA-N 353.639 4.996 0 1 FJAF CC(=O)OC[C@@]12C=CCC[C@@H]1[C@@](C)(CC[C@@H](C)CC(=O)O)[C@@H](C)CC2 238746802 IXVLFGNKARRZOI-ULQATBQFSA-N 350.499 4.829 0 1 FJAF c1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CCCN2CCCC2)cc1 299822903 PXIPTYSJXWRLOR-XMMPIXPASA-N 359.517 4.601 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)C2 586888720 XQDWKPWKVJITFN-LPEHRKFASA-N 354.759 4.874 0 1 FJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc(C(C)(C)C)ccc3[nH]2)cc1 586951381 ZJVBWUWIAQZEGJ-UHFFFAOYSA-N 371.506 4.678 0 1 FJAF CSc1ccc2nc(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)[nH]c2c1 587201898 YKRSARYDAMSSKX-UHFFFAOYSA-N 363.527 4.866 0 1 FJAF CCc1nc2c(oc3ccccc32)c(-c2cccc(OC)c2)c1CC(=O)O 587367872 ZCIHGALXGUERCC-UHFFFAOYSA-N 361.397 4.846 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(O2)c2cc(Cl)ccc2SC[C@H]1C 587412413 BZKLWCRKNCSJAZ-NSPYISDASA-N 359.878 4.833 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCC=C(C)C)cc1)[C@@H](C2)C3=O 587444042 RGNLAXBQPRSCKV-AVRDEDQJSA-N 350.414 4.529 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1[nH]c1ccc(F)cc31)CC2=O 587471711 MMNGVSBLWBRDKK-JOCHJYFZSA-N 365.404 4.772 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(-c3ccccc3)nc1C)CC2=O 587474370 CSLIPFPZGVIZDC-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)CCC3)CC2=O 587475507 ADADZNVGXXFYHO-OAQYLSRUSA-N 352.430 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3c(OC)cccc13)CC2=O 587485773 QXHLXNWFPCLISV-IBGZPJMESA-N 351.402 4.541 0 1 FJAF COc1cc(C)ccc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587563773 IZOIRBJPIHGSIR-UHFFFAOYSA-N 354.303 4.617 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(F)cc4[nH]3)c2)cc1O 587785649 DNOJCYDNBHYNBO-UHFFFAOYSA-N 364.376 4.759 0 1 FJAF Cc1ccccc1OC[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587802046 PIBRYPQKUDKDIH-IUODEOHRSA-N 364.258 4.551 0 1 FJAF CCC[C@]1(Cc2ccco2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587828392 NBHCKZXLHBMJCN-KPZWWZAWSA-N 366.274 4.954 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(C3CC3)n2)N1 587850194 CPANGDJONUTHLL-GLEZIHRCSA-N 367.287 4.546 0 1 FJAF CC(C)c1nc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cs1 587852842 NNGRYJLUXQBJBP-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3nc(C(F)(F)F)nc4ccccc34)n1)O2 587874361 XBDWTIGNNFCLCN-UHFFFAOYSA-N 372.281 4.746 0 1 FJAF c1cncc([C@H]2CCC[C@@]23c2ccsc2CCN3Cc2ccco2)c1 962717780 VQGOTRWCWZPMQW-NQIIRXRSSA-N 350.487 4.957 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]31CS[C@@H](c2cccs2)C1 963057185 MJKTZNJJCJOSIN-YLJYHZDGSA-N 368.527 4.524 0 1 FJAF CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCCN)cc1 1857752526 XWSGOHFMQOHBJK-UHFFFAOYSA-N 351.446 4.734 0 1 FJAF CC[C@@H](C)C[C@H](c1[nH]c2ccccc2c1-c1ocnc1C(=O)O)N(C)C 2356307035 MNCZZIZVBMJVGE-IUODEOHRSA-N 355.438 4.560 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@@]4(C)C2=CC[C@H]1C3 2356432610 GQSQALRNJKGVPV-MNVBNCHYSA-N 360.494 4.583 0 1 FJAF CC(=O)O[C@H]1CC(C)=CCCC(C)=CCCC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356609644 IMDXZXMRERRXIF-HBMCJLEFSA-N 360.494 4.899 0 1 FJAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@H](C)CCC=C(C)CO)CC[C@@H]2C 2356855058 QYVRGBDFTMKFCS-GJYPPUQNSA-N 360.494 4.791 0 1 FJAF CC(C=Cc1ccccc1)=CC(C)=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 4273525 IYFGLYFTWKJMPZ-UHFFFAOYSA-N 366.377 4.951 0 1 FJAF biogenic CCc1ccccc1NC(=O)c1cccc2c1C(=O)N(C1CCCCC1)C2 5005945 ZJRXJPSNLUDNGI-UHFFFAOYSA-N 362.473 4.790 0 1 FJAF COc1cc(Nc2ncc(-c3ccccc3)o2)c(F)cc1-c1cnco1 13490393 MAERLDQDTBOARR-UHFFFAOYSA-N 351.337 4.888 0 1 FJAF O=C1O/C(=C\I)CC[C@H]1c1cccc2ccccc12 13589943 ZJGPRRLHNMNINO-WQTVUKCASA-N 364.182 4.537 0 1 FJAF C[C@@H](CNS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2F)cc1 13835052 QBOPEOAWRHGLFY-INIZCTEOSA-N 369.461 4.575 0 1 FJAF O[C@](Cn1cccc1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1 26849737 LOOXBAFMFWBQIY-QHCPKHFHSA-N 358.416 4.625 0 1 FJAF CN(C)CCCOc1ccc(-c2cc(-c3ccc(Cl)cc3)no2)cc1 28361368 CHQJWHNOXDJENO-UHFFFAOYSA-N 356.853 4.993 0 1 FJAF O=C1c2ccccc2CN1CCCCN1CC[C@@H](c2ccc(Cl)cc2)C1 28770227 DITXJRIVUJRJED-GOSISDBHSA-N 368.908 4.566 0 1 FJAF O=[S@@](c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F 28889353 OORCBDUKAGBPKM-UVXPNCNTSA-N 359.372 4.836 0 1 FJAF CCNC(=O)OC(C)(C)CCC[C@@H](C)C/C=C/C(C)=C/C(=O)OCC 29252897 CRINQPJIWVCUGV-AOAZAXKHSA-N 353.503 4.773 0 1 FJAF Cc1cc(F)ccc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66263950 PAMGMRKRPQPAKS-RCECTWRXSA-N 367.464 4.753 0 1 FJAF Cc1ccccc1-c1nc(N2CCC(C)CC2)ncc1-c1nc(C)c(C)o1 82177501 KHXKUZIPFINIBE-UHFFFAOYSA-N 362.477 4.960 0 1 FJAF COc1ccc(CCN(C)c2ccnc3cc(Cl)ccc23)cc1OC 169303060 JLEYEHKYFQHPSJ-UHFFFAOYSA-N 356.853 4.584 0 1 FJAF C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 204750635 QZVZKUFXKQGDGX-IUODEOHRSA-N 368.387 4.918 0 1 FJAF Oc1ccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 299833611 HTTUAVVIZCSJNI-UHFFFAOYSA-N 373.496 4.540 0 1 FJAF O=C(CCCCCNc1cccc(F)c1)Nc1ccnc(C(F)(F)F)c1 299862170 JHJXLNOTXCUSJH-UHFFFAOYSA-N 369.362 4.851 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3ncc(Br)c(C)c3[nH]2)n1 587079905 LTLZIJCYLOMYMT-SSDOTTSWSA-N 368.666 4.517 0 1 FJAF Fc1ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc2c1Br 587083894 BHJZSKHBPJHOPD-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCOC(=O)[C@@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099246 XEAAJAYJPGVYKG-QGZVFWFLSA-N 371.436 4.738 0 1 FJAF C[C@@H](C(=O)OC(C)(C)C)c1cnc2cccc3c2c1-c1ccccc1C3=O 587107635 SKIDBJXTDWCFKT-CYBMUJFWSA-N 359.425 4.891 0 1 FJAF CC(=O)c1ccc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2c1 587135131 TUDZUHHSHFRBMY-HYXAFXHYSA-N 352.262 4.631 0 1 FJAF Nc1c(F)c(F)cc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1F 587136591 KRMZLCKRMFBBPX-UHFFFAOYSA-N 369.346 4.808 0 1 FJAF COc1cc2nc(-c3cc(Br)c(F)cc3F)[nH]c2cc1C 587136844 XAYPILSUVWEXML-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF CN(C)c1ccc(-c2nc3c(C(F)(F)F)cc(C(F)(F)F)cc3[nH]2)nc1 587194549 JJXVIHBTFBXNOQ-UHFFFAOYSA-N 374.288 4.729 0 1 FJAF CC(C)[C@H](N)c1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 587259601 XEYIVSZKYQTSIT-KRWDZBQOSA-N 374.282 4.560 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(OC)ccc1-c1ccccc1)[C@@H](C2)C3=O 587444553 VCZCEBKTAXJMBL-GBXCKJPGSA-N 372.420 4.860 0 1 FJAF COc1cc2c3c(c1)OC(c1cccs1)(c1cccs1)[C@@H](C2)C3=O 587448982 CWTKPTFCLSMGHD-ZDUSSCGKSA-N 354.452 4.509 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(CC3CCCCC3)CC1)CC2=O 587474868 KODRDIJMEICFLX-UHFFFAOYSA-N 371.521 4.725 0 1 FJAF CC(C)(C)Oc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587514810 KEDYHTSABLYXHP-IBGZPJMESA-N 351.446 4.844 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccccc12 587589311 NZPDEGSUTYYHDP-KNQAVFIVSA-N 357.365 4.576 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cc[nH]c3c2)N1 587806119 UUYUWUPUDXLOJU-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF COc1ccc(C)cc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587811379 ZTPMSSVCGDHECG-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587850157 XOJFZPWPJCGXHW-XXFAHNHDSA-N 354.288 4.756 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H](CC)c1ccccc1 587871023 XEJOCANIJSVLPU-GOSISDBHSA-N 352.409 4.922 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2cncc(Br)c2[nH]1 587952186 MMYVBHBKPFTXLA-MJVIPROJSA-N 352.276 4.767 0 1 FJAF Cc1c(F)ccc2c1[C@](c1ccc(Cl)cc1)(c1cccnc1)NCC2 962148852 VINJKBGQCGMMCJ-NRFANRHFSA-N 352.840 4.620 0 1 FJAF COc1ccccc1-c1cc(F)cc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772642380 NPPJDOCGGGYGDE-KRWDZBQOSA-N 371.433 4.873 0 1 FJAF C[C@H](NC(=S)NC1C2CC3CC(C2)CC1C3)C12CC3CC(CC(C3)C1)C2 1857638263 HAFMXXWPTIYMDX-IAHVPREVSA-N 372.622 4.880 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc(C(F)(F)F)o3)nc2c1 1911573598 VQJOQADMRZNVCQ-XMMPIXPASA-N 359.240 4.676 0 1 FJAF C[C@H]1CCC[C@H](NC(=O)c2cc(-c3ccncc3)nc3ccccc23)[C@@H]1C 4669106 JFSLYLPYWICGFK-YRNRMSPPSA-N 359.473 4.851 0 1 FJAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2CCCC2)c1 6521928 POLUHUAKHYNQTR-UHFFFAOYSA-N 372.534 4.618 0 1 FJAF COc1ccc(C(=O)CCC2CCN(Cc3ccccc3)CC2)cc1OC 13738627 LFZDBHZKOZCYOU-UHFFFAOYSA-N 367.489 4.579 0 1 FJAF O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2ccccc2)O3)N1 26249524 KATCODFDTXUMKD-MRXNPFEDSA-N 366.726 4.666 0 1 FJAF CCCCCCN(CCOc1ccc(CCC(=O)O)cc1)c1ccccn1 28336584 KEQVIIPGPTVQFG-UHFFFAOYSA-N 370.493 4.565 0 1 FJAF O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4[nH]3)c2c1)c1ccccc1 66112973 RWLZTTKHKSKAAP-UHFFFAOYSA-N 352.397 4.964 0 1 FJAF COc1ccc(C2=C(c3cc(OC)c(OC)c(OC)c3)CCC2)cc1O 72109701 PEHUPCREGWXBCS-UHFFFAOYSA-N 356.418 4.521 0 1 FJAF CNc1cncc(-c2ccc3[nH]nc(-c4nc5ccccc5[nH]4)c3c2)c1C 72175976 COUUETHIVNJXIL-UHFFFAOYSA-N 354.417 4.518 0 1 FJAF CC(C)Oc1ccccc1[C@](O)(c1ccc(Cl)cc1)c1cccnc1 72184891 QHNMLHIWINBZBY-NRFANRHFSA-N 353.849 4.806 0 1 FJAF CCCC(=O)Nc1ccc2[nH]c(-c3ccccc3Br)nc2c1 84651877 CXSZYCSTSVTPIE-UHFFFAOYSA-N 358.239 4.731 0 1 FJAF OCc1ccc(-c2nn(Cc3ccccc3C(F)(F)F)c3ccccc23)o1 143976174 DREBGDJTGWFYLQ-UHFFFAOYSA-N 372.346 4.856 0 1 FJAF Cc1c(-c2c[nH]ccc2=N)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586995061 DPWJJXHLDPUDMT-UHFFFAOYSA-N 351.409 4.538 0 1 FJAF Clc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCO5)cs2)cc1 587015437 CXJQRIAZOGJMBN-UHFFFAOYSA-N 355.806 4.736 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1 587035397 PTFLINKQWLXETM-IBGZPJMESA-N 374.465 4.712 0 1 FJAF CCOc1n[nH]c(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1Cl 587065591 UWEOURJTJZPDOE-UHFFFAOYSA-N 365.142 4.677 0 1 FJAF Fc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587183075 QWQFJVMRJGFDFT-UHFFFAOYSA-N 372.568 4.627 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(C)c(Br)s1)O2 587410766 PFXDXQYAGZEJIJ-MRXNPFEDSA-N 366.280 4.590 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587418883 DRPHWYAUEQWRQH-KPZWWZAWSA-N 366.310 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4cccc(C)c4C)c1)[C@@H](C2)C3=O 587429262 AMMPYIJZPPJVQJ-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@H]1C 587824529 XGVGSSDMEIMYIP-KICPOFLPSA-N 352.291 4.940 0 1 FJAF CC(C)[C@@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587832251 JDRMUQFAMGGLSK-VFYAVLAOSA-N 370.306 4.615 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 587933452 OSKPYZXCAQVYPD-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]31CCC[C@@H](c2ccccc2)C1 963040331 WHKKIXQJLARKBV-HOYKHHGWSA-N 358.485 4.942 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC(C)=O)C(F)(F)Br 963238036 HJTNGLIQPSJLMW-MLGOLLRUSA-N 374.269 4.505 0 1 FJAF Cc1ccc(C)c(NCCN2CC[C@@]3(C)c4cc(O)ccc4C[C@@H]2[C@@H]3C)c1 1911581100 FNOVFQXCGMSHOV-NTUVXCKYSA-N 364.533 4.645 0 1 FJAF COCCNc1nc(Oc2cccc3ccccc23)c2sccc2n1 61908663 WDTUBNVDHLPVGX-UHFFFAOYSA-N 351.431 4.695 0 3 FJAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCc1ccccc1 776234 JJPMYHHNFLAHHA-UHFFFAOYSA-N 364.445 4.578 0 1 FJAF CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@@H](N)C[C@]4(C)[C@@H]3CC[C@]12C 4722819 ZSSPHCDGLYDLSV-IPJZBYETSA-N 359.554 4.844 0 1 FJAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC(=O)c3cc(C(C)C)c(O)cc3[C@@]2(C)C1 13480883 LVRUFBJYFAGDRK-VQUVXCFPSA-N 358.478 4.728 0 1 FJAF biogenic COc1ccc(C(=O)Nc2nc(-c3ccccc3)nc3ccccc23)cc1 13862043 ZUTYPECGIONURA-UHFFFAOYSA-N 355.397 4.558 0 1 FJAF NC(=O)c1cc2c(Sc3ccc(Cl)c(Cl)c3)cncc2s1 13862350 QVUTVXHVMPGTGU-UHFFFAOYSA-N 355.271 4.853 0 1 FJAF COCc1cc(O)cc2c1O[C@@H](c1ccc(O)cc1)[C@H]1CC(F)(F)C[C@@H]21 14972457 GPFRMIHXGMVMGF-BZSNNMDCSA-N 362.372 4.507 0 1 FJAF in-vivo COc1ccc(C2=C(c3ccc(Cl)cc3)C(=O)N3CCC[C@H]3C2)cc1 28949725 SAYXPNVUFVUEMY-KRWDZBQOSA-N 353.849 4.654 0 1 FJAF CCS(=O)(=O)c1ccc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1 59098376 KOTFZDXTPJCJDA-UHFFFAOYSA-N 356.230 4.595 0 1 FJAF CC[C@H](c1nc(S[C@H](C)CC)[nH]c(=O)c1C)c1c(F)cccc1F 72114344 VTQLDBHBQZPZNO-PWSUYJOCSA-N 352.450 4.789 0 1 FJAF CCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(Cl)cc1 100703858 AYRIZCMDBHSAIA-UHFFFAOYSA-N 355.850 4.996 0 1 FJAF COc1ccccc1C(=O)Nc1cc(Cl)cc2c3cc[nH]cc-3nc12 100958150 VYSPYGUJGJUUHF-UHFFFAOYSA-N 351.793 4.582 0 1 FJAF O/N=c1\cc(-c2cc3ccccc3cn2)oc2cc(Br)ccc12 117398234 KFOQUTOQONEDDM-RCCKNPSSSA-N 367.202 4.700 0 1 FJAF Cc1cccc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)N2C1CC1 141900536 WFAOLWPJUBLNAA-XRODLIKFSA-N 374.528 4.934 0 1 FJAF CCN(CC)CCCN1CC[C@H]2c3ccccc3[C@H](c3ccccc3)[C@H]2C1 169318099 JIKFJGUECRHRBQ-HVCNVCAESA-N 362.561 4.970 0 1 FJAF CC[C@@H]1C(=O)N(C2CCN(Cc3cccc4[nH]ccc34)CC2)c2ccccc21 169341837 IHHKRBWQSBPVHH-IBGZPJMESA-N 373.500 4.673 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(Br)c(F)c3[nH]2)cc1 586886149 DWKUBHIXNGYXOV-MGPLVRAMSA-N 363.230 4.610 0 1 FJAF CC[C@@]1(C)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 586887650 GWXFCBBVNYFEEP-UHLUBPPHSA-N 358.077 4.992 0 1 FJAF CC(C)c1c([C@@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989837 RGQRPSIGZYLWTA-CQSZACIVSA-N 372.468 4.742 0 1 FJAF FC(F)(F)c1ccc2ncc(-c3nc4cc5cn[nH]c5cc4[nH]3)cc2c1 587111173 ABYTXDYKFBKOPE-UHFFFAOYSA-N 353.307 4.673 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)O2 587173930 KZVDOLWDAJVPCB-NRFANRHFSA-N 360.388 4.957 0 1 FJAF CC(=O)NC1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)CCC(C)CC1 587234114 GHIAHYSJDXQAJB-UHFFFAOYSA-N 373.806 4.777 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3ccc(Br)cc31)O2 587372649 QKCLPEZBJWRCQT-IBGZPJMESA-N 372.262 4.537 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C(F)(F)F)cc1F)O2 587380150 BOEQZWSWSHMCQS-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)ccc1N(C)C1CC1)CC2=O 587467211 PDTMKPZOWYVPCO-NRFANRHFSA-N 369.436 4.789 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(CC)ccc1OC)CC2=O 587484113 WGESRIUWYIYSAM-QFIPXVFZSA-N 354.446 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1-c1cncnc1)CC2=O 587490977 QMYAQNUFLLFXIH-OAQYLSRUSA-N 360.413 4.508 0 1 FJAF O=C1C[C@H](Cc2cccc(Br)c2)Oc2c1ccc1c2CCCC1 587496226 HSYBWENKCVQJDU-INIZCTEOSA-N 371.274 4.904 0 1 FJAF COc1ccc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2c1 587522140 CZKHAHFJCICWGV-JOCHJYFZSA-N 359.425 4.829 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c1C 587627931 GBOGBJMNGPMSHF-UHFFFAOYSA-N 373.737 4.735 0 1 FJAF COC(=O)c1c(Cc2cc(F)c(F)cc2F)[nH]c2cc(Cl)c(F)cc12 587629731 ZKAVSFSVTNNBQI-UHFFFAOYSA-N 371.717 4.755 0 1 FJAF CCCOc1cccc(Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587778832 QUEUWTMTCPTNQD-UHFFFAOYSA-N 372.472 4.774 0 1 FJAF COc1c(C)cc(O)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945206 KVOOUFCXOQGTBM-UHFFFAOYSA-N 353.393 4.920 0 1 FJAF Cc1ccnc2c1CCN[C@@]2(C)c1ccccc1OCc1ccc(F)cc1 963094650 ZECYZBCHJFUNFN-QHCPKHFHSA-N 362.448 4.517 0 1 FJAF Fc1cccc2c1[C@H](c1ccccc1OCc1cccnc1)N1CCC[C@@H]1C2 963117421 YRQFJJZNUVJRIM-DVECYGJZSA-N 374.459 4.910 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(CC/C=C\c2ccc(F)cc2)CC1 1857542729 DJBHHEQBMOYWRH-IWQZZHSRSA-N 359.872 4.866 0 1 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)C(F)(F)F 118917892 YRKBBIVQXKLUDP-TZLOTAHASA-N 360.460 4.683 0 3 FJAF C[C@H]1CCC[C@@H](C)N1CCNc1ccc2c(-c3ccccc3F)noc2n1 205223723 QNDTUJFZPRISMQ-GASCZTMLSA-N 368.456 4.704 0 3 FJAF CCCOC(=O)N(C(=S)O[C@@H](C)COc1ccccc1)c1ccccc1 3648389 PWIAJRQFJAZYIK-INIZCTEOSA-N 373.474 4.809 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)[C@H](C)C4=O)OC(C)(C)C=C3 14681731 QOFDITUHNAYYJC-NWDGAFQWSA-N 368.429 4.529 0 1 FJAF biogenic CC(=O)SCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947045 IHMMUJMBXWPHDJ-JZZBYWGLSA-N 372.530 4.657 0 1 FJAF O=C(CSc1nnc(-c2cccnc2)o1)c1ccc(-c2ccccc2)cc1 19849627 GXFSZIMYOQFMNS-UHFFFAOYSA-N 373.437 4.774 0 1 FJAF CCC(=O)[C@@H](c1ccccc1OC)C1CCN(CCc2ccccc2)CC1 27871765 BOOWLORNWNUTJZ-XMMPIXPASA-N 365.517 4.713 0 1 FJAF COc1cc(-c2ccc3c(c2)Nc2ccccc2NC3=O)ccc1C(C)=O 28710730 XUYNLSRBNSPXAR-UHFFFAOYSA-N 358.397 4.874 0 1 FJAF O=C(O)c1sc(-c2ccccc2)cc1-c1cnnn1C1CCCCC1 58498940 PQSBWCZXFUTSHF-UHFFFAOYSA-N 353.447 4.877 0 1 FJAF CN1[C@@H]2CC[C@@H]1[C@H](C(=O)Oc1ccccc1)[C@H](c1ccc(Cl)cc1)C2 100721379 AAEKULYONKUBOZ-GSEOLPGOSA-N 355.865 4.512 0 1 FJAF CC(C)[C@@H]1[C@@H]2CC[C@H]1c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12 113043360 XTDZGXBTXBEZDN-XJKCOSOUSA-N 359.420 4.857 0 1 FJAF in-vitro Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H]1CCCCc2ncsc21 220883626 TVFHRAFZEAVYBF-LBPRGKRZSA-N 369.317 4.885 0 1 FJAF O=C1O/C(=C\c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586906849 RSPVTPBMUKEJHQ-ZSOIEALJSA-N 362.332 4.843 0 1 FJAF CC(C)C(=O)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992706 YDNCBLUSAYCMSA-MRXNPFEDSA-N 371.436 4.797 0 1 FJAF O=C(O)c1cccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc12 587065186 VJRCJXYBWIJDNS-UHFFFAOYSA-N 368.776 4.754 0 1 FJAF Cc1nc2c(s1)-c1nc3cccc4c3c(c1CC2)-c1ccccc1C4=O 587208168 NCSCYTQGIWWWKE-UHFFFAOYSA-N 354.434 4.977 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1ccccc1Cl)O2 587379944 YPOZXFBRKFJGPT-NRFANRHFSA-N 364.832 4.535 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(OCCC(C)C)cc1)[C@@H](C2)C3=O 587440553 HEAIMEOTNGLTPH-AVRDEDQJSA-N 352.430 4.609 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H]2CCCF 587553100 DSBONTMUPBCGOG-DHUIEDIVSA-N 356.393 4.642 0 1 FJAF CC1(C)[C@@H]2CC[C@@](C)(C2)[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604026 QOBOPKIQJOSIHE-LLMIVBOJSA-N 364.441 4.939 0 1 FJAF CC1(C)Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604527 USVNKGDJFFZWIH-YKSBVNFPSA-N 372.420 4.832 0 1 FJAF COc1cccc(C)c1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587785706 FWXPIGQKGQVNGF-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587934113 AZXDFSRZRCLCLU-ABKXIKBNSA-N 351.233 4.715 0 1 FJAF Fc1cccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)c1 653798067 JTZUBHBHWLOCRO-FNORWQNLSA-N 351.200 4.870 0 1 FJAF CC1=C[C@]2(CC1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961750949 QKBZPJCBLHWRLB-JOCHJYFZSA-N 354.494 4.773 0 1 FJAF Cc1ccccc1[C@]1([C@@H]2CCC[C@H]2C(=O)O)NCCc2cc(Cl)ccc21 963381199 RHBOYJWLOGQZMY-ZNLUXHQJSA-N 369.892 4.539 0 1 FJAF COc1ccccc1-c1cc(F)cc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772642381 NPPJDOCGGGYGDE-QGZVFWFLSA-N 371.433 4.873 0 1 FJAF FCCOc1ccccc1CCC1CCN(CCc2ccccc2)CC1 1857536438 VTACUAWKXFTMMB-UHFFFAOYSA-N 355.497 4.922 0 1 FJAF Cn1c([C@@H](OC(C)(C)C)C(=O)O)c(Cc2ccccc2)c2ccccc21 1857560618 AEUYRRAQBDMMAH-HXUWFJFHSA-N 351.446 4.710 0 1 FJAF Cc1cccc(C)c1-n1ncc(C(=O)Nc2ccc3ccccc3n2)c1C 1857568022 BRGYHMJGJPHHND-UHFFFAOYSA-N 356.429 4.598 0 1 FJAF COc1ccc(-c2cc(OC)c(-c3ccccc3O)c(OC)c2OC)cc1 1857758381 IEKFQSIGCAHNDA-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF Cc1cc(N)c2cc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)ccc2n1 13448051 CQPFKMRAYQKWEI-VMPITWQZSA-N 371.362 4.796 0 1 FJAF COc1ccc(C(=O)O)nc1-c1csc(-c2ccc3ccccc3c2)n1 26254419 UMHXXIWNQAOWMD-UHFFFAOYSA-N 362.410 4.732 0 1 FJAF O=[S@](c1ccc(/C=C/c2ccc(F)cc2F)nc1)c1ccccc1F 28889348 OORCBDUKAGBPKM-VQEXNLMWSA-N 359.372 4.836 0 1 FJAF Cc1cc(C(=O)O)nn1[C@H](C)c1cc(Cl)ccc1OCc1ccccc1 29043304 UBMDEJFXYFSQHI-CQSZACIVSA-N 370.836 4.731 0 1 FJAF Cc1ccccc1NC(=S)N1CCC(c2cccc(Br)c2)=N1 40863278 QFWWDXMZIGEAKE-UHFFFAOYSA-N 374.307 4.564 0 1 FJAF O=c1cc(N2CCOCC2)c2cc(-c3cc4ccccc4s3)ccc2o1 49775686 OKHIJDDGTONPPM-UHFFFAOYSA-N 363.438 4.511 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184542 IDLPPQITNGCKKR-OAHLLOKOSA-N 369.488 4.822 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3ccc4c(c3)[nH]c3ccccc34)c12 96168128 PAOADSWJCIAIPA-UHFFFAOYSA-N 353.429 4.881 0 1 FJAF CC(=O)N1[C@H]2CC[C@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100800530 KXVANVFVPHMDSA-PMACEKPBSA-N 371.427 4.613 0 1 FJAF Cc1ccc([C@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc1 103268662 FNEQXOFFAYFDIL-FQEVSTJZSA-N 358.441 4.843 0 1 FJAF O=C(Cc1ccccc1)Nc1ccc(-n2nc(C3CC3)cc2C2CC2)cc1 116822983 OUJQSLUNDPQAFU-UHFFFAOYSA-N 357.457 4.808 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 169322131 YEULSAXOJYTLCB-LVUPJQOLSA-N 359.554 4.739 0 1 FJAF O[C@@H](COc1ccccc1C1CCCCC1)CN1CCc2ccccc2C1 219722655 LVPLWXJHBDXGNR-JOCHJYFZSA-N 365.517 4.532 0 1 FJAF CCOCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)o1 586904020 XWLUHDCYIHVBNZ-UHFFFAOYSA-N 355.619 4.775 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cc(Br)cc(C=O)c4)[nH]c32)n1 586982854 QZCACZKPYXHEDC-UHFFFAOYSA-N 366.218 4.662 0 1 FJAF Cc1cc(Br)c2nc(-c3ccc(Br)o3)[nH]c2c1 587007396 KHIDCFSOHXYJMC-UHFFFAOYSA-N 356.017 4.656 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587012148 PCAYKFHGWKABKA-UHFFFAOYSA-N 369.675 4.683 0 1 FJAF O=C(O)Cc1c(-c2cc(Cl)ccc2Cl)nc2cccc3c2c1CC3 587209771 XBBAKDBZEOHKTF-UHFFFAOYSA-N 358.224 4.934 0 1 FJAF Cc1cc2cccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c2[nH]1 587587026 DYCXFACBNHUUOB-CVDCTZTESA-N 371.392 4.885 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(F)c2)N1 587725942 TUQPCSAWGFDIPI-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF CSc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587844625 LSLQMUSPFSBFTK-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cccc(F)n1 587855618 NAETYLYZQKDEAR-UHFFFAOYSA-N 352.196 4.779 0 1 FJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587938670 YNWJIAUXECHABT-ABKXIKBNSA-N 368.330 4.567 0 1 FJAF Nc1c(-c2nc(-c3ccc(F)cc3)cs2)c(O)cn1-c1ccc(F)cc1 957654226 RUOMUUYOWDEGMI-UHFFFAOYSA-N 369.396 4.834 0 1 FJAF CSCC1CCC2(CC1)c1cccc(F)c1CCN2[C@H]1CCSC1 962695872 GEVUSKNPOIJXQD-NGEICVOHSA-N 365.583 4.938 0 1 FJAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3c(s2)CCC3)c1 963018608 XDEBWPNTPIQKNJ-FQEVSTJZSA-N 352.528 4.841 0 1 FJAF COc1cccc2cc3c(nc12)[C@](C)(Cc1coc2ccccc12)NCC3 963062181 WVNXQICCBKPMSK-QHCPKHFHSA-N 358.441 4.593 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OCCOC)cc1 963244900 XQEORINJOVAHLX-FDDCHVKYSA-N 353.506 4.632 0 1 FJAF CCC[C@H](CC)C[C@]1(c2ncco2)NCCc2c(OC)ccc(Cl)c21 963268926 BGALWPUXPBADMQ-XOBRGWDASA-N 362.901 4.942 0 1 FJAF c1ccc(-c2ccc(C[C@]3(COc4cccnc4)CCCNC3)cc2)cc1 1857539847 MVAMSEODAREJMD-XMMPIXPASA-N 358.485 4.740 0 1 FJAF O=C(O)c1ccccc1Oc1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1 1857587156 JUIVNMLBOAIUQU-UHFFFAOYSA-N 374.352 4.600 0 1 FJAF CCc1ccccc1-n1ncc(C(=O)Nc2cc3ccccc3cn2)c1C 1857601312 ZBQXREUOBNSVPP-UHFFFAOYSA-N 356.429 4.544 0 1 FJAF COc1ccccc1NCc1ccc(CNc2ccccc2OC)s1 1857611554 UWTIQQOSCQLMHN-UHFFFAOYSA-N 354.475 4.990 0 1 FJAF Fc1cccc(Cn2cc(Cn3c4ccccc4c4ccccc43)nn2)c1 1857613510 HZPJJQGXPYJSBA-UHFFFAOYSA-N 356.404 4.622 0 1 FJAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775348 TUPDCTOKTPGWAU-GFCCVEGCSA-N 358.438 4.984 0 1 FJAF CCCCCC(=O)CC[C@]1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 1995815 UDNUCVYCLQJJBY-YTFSRNRJSA-N 357.538 4.846 0 1 FJAF in-man COc1ccc(-c2onc(C)c2-c2cnn(-c3ccccc3)c2)c(O)c1C 13125482 FZQUBQAPRRBGKK-UHFFFAOYSA-N 361.401 4.525 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@@H]2CCC=C(C)[C@]21C 14446530 LECAKRZOTZHHCK-CVFFNHBXSA-N 360.494 4.590 0 1 FJAF biogenic CC(=O)O[C@@H]1C=C2C(C)(C)CCC[C@]2(C)[C@](O)(CCc2ccoc2)[C@H]1C 33829843 SGXFKBQPKLDSQY-XSLZUNGDSA-N 360.494 4.668 0 1 FJAF biogenic CSCC[C@H](NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1 71340977 JOBQEJLXPYTGGO-ZDUSSCGKSA-N 365.911 4.502 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2F)o1 82175749 YZKDZXFGWPOSBW-KBPBESRZSA-N 366.440 4.728 0 1 FJAF Cc1cc(-c2c3c(nc4sc(C(N)=O)c(N)c24)CCCCCC3)oc1C 84466262 AELMWZZFVUXOIB-UHFFFAOYSA-N 369.490 4.513 0 1 FJAF Cc1noc(C)c1-c1ccc2c(Nc3ccccc3)c(C(=O)O)cnc2c1 84633288 LIQNVPVFYAIYPC-UHFFFAOYSA-N 359.385 4.948 0 1 FJAF CCOC(=O)N1C(=O)C2(CCCCC2)N(c2ccc(C(C)C)cc2)C1=S 95872967 QKLDTLHCGUURPM-UHFFFAOYSA-N 374.506 4.603 0 1 FJAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@H]21 100620793 YSSSIHOXSMSHPD-DYESRHJHSA-N 366.411 4.558 0 1 FJAF COc1ccc(C)cc1NC(=O)OC1C[C@]23CCCC[C@@]2(CC(=O)C3)C1 102220784 IOIOMZDUUHLONY-NHCUHLMSSA-N 357.450 4.624 0 1 FJAF O=c1oc2cc(Sc3ccc(O)cc3)cccc-2c1-c1ccc(O)cc1 113899994 DFIZEAKYMXSEJA-UHFFFAOYSA-N 362.406 4.974 0 1 FJAF biogenic O[C@@]1(C(F)(F)F)c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1(F)F 118721574 VSYXPEOPYUZLMW-LBPRGKRZSA-N 360.109 4.806 0 1 FJAF O=C1N(c2cc3ccsc3cc2F)CCN1c1cnccc1C1CC1 144136918 SIIRTJYKNYWEAC-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF O[C@H](COc1ccccc1C1CCCCC1)CN1CCc2ccccc2C1 219722587 LVPLWXJHBDXGNR-QFIPXVFZSA-N 365.517 4.532 0 1 FJAF Fc1cc2[nH]c([C@@H]3C[C@]34CCc3ccccc34)nc2cc1Br 586886714 QCNYGYYMPBGZRX-SGTLLEGYSA-N 357.226 4.836 0 1 FJAF Brc1ccc(NCCc2nc3ccc4ncccc4c3[nH]2)cc1 586994892 DUJKPEPAUGHVQS-UHFFFAOYSA-N 367.250 4.528 0 1 FJAF Cc1nc(-c2ccccc2)sc1Cc1nc2c(F)cnc(Cl)c2[nH]1 587011068 FXACXIACIUIHRQ-UHFFFAOYSA-N 358.829 4.773 0 1 FJAF C[C@@H]1CCc2sc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2C1 587033121 DGGNIWZEELITQH-SSDOTTSWSA-N 366.259 4.713 0 1 FJAF c1coc(CNCc2ccc(-c3nc4c5c(ccc4[nH]3)CCCC5)cc2)c1 587232160 MAKLLPPAUYFHQB-UHFFFAOYSA-N 357.457 4.992 0 1 FJAF Cc1cnccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335780 IFWBFNWTWCLLQL-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@H]1CC=C(CCCC(C)(C)O)CC1)O2 587404868 SMSUSPSBLQFPCV-JXFKEZNVSA-N 357.494 4.579 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1coc3ccc(C(C)C)cc3c1=O)O2 587406935 FVRYYIRJCSJKOT-HXUWFJFHSA-N 363.413 4.514 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1-c1ccc(F)cc1)[C@@H](C2)C3=O 587427152 HATOYJFNAHEVHS-WMZHIEFXSA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Cl)ccc(C)c31)CC2=O 587462947 RTOPXLDRUFYKDD-NRFANRHFSA-N 372.848 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)cc1OC(C)C)CC2=O 587488197 YQZLISZUHYVLLO-NRFANRHFSA-N 370.445 4.847 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1 587587439 NVZNBCRYYODJFO-OFNKIYASSA-N 369.376 4.643 0 1 FJAF CCNc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587756250 QKVHIKDKUIZLPS-ADLMAVQZSA-N 363.274 4.644 0 1 FJAF CCOc1ccccc1OCc1nc2cc(C)cc(Br)c2[nH]1 587779623 BLAIXIYLVOIFNU-UHFFFAOYSA-N 361.239 4.612 0 1 FJAF O=C(Nc1cccc(Cl)c1)c1csc([C@H](O)C2CCCCC2)n1 1857589251 LHDKMVNMOWMYGR-OAHLLOKOSA-N 350.871 4.663 0 1 FJAF Cc1cccc(CN2CCC[C@@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 13594488 STFJYSISTVLIAU-MRXNPFEDSA-N 362.395 4.504 0 3 FJAF Cc1ccc(-c2nc(CN(CC3CCC3)C[C@@H]3CCCO3)c(C)o2)s1 13595829 ROXHWHGLHMNLMA-KRWDZBQOSA-N 360.523 4.801 0 3 FJAF COc1ccc2c(=O)c(-c3ccc4c(c3OC)C=CC(C)(C)O4)coc2c1 15257364 SKZVJZQHQBAZLD-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF biogenic Fc1ccc([C@@H]2C[C@H](N3CCN(CC4CC4)CC3)c3cc(F)ccc32)cc1 28014427 HZGOJAUJCZDFAZ-GMAHTHKFSA-N 368.471 4.569 0 1 FJAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1[C@@H](OC)NC(C)=N2 28467987 DUTFJDZCRJUDOU-OAHLLOKOSA-N 373.671 4.693 0 1 FJAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCCC[C@H]1Cc1ccccc1 45388258 DNKJIHBHAFUTQD-BYUZGNIHSA-N 352.522 4.618 0 1 FJAF c1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@H](c5ccccc5)O4)cc3)O2)cc1 49033700 HSFOIUZEWJQHSN-SZPZYZBQSA-N 372.380 4.501 0 1 FJAF COc1c([C@@H](C(C)C)n2cnc3ncccc32)ccc2c1C=CC(C)(C)O2 72180130 UPMMGYIJNFWXPJ-LJQANCHMSA-N 363.461 4.870 0 1 FJAF COc1ccc(-n2c(O)cc(Sc3nc4ccccc4s3)c2O)cc1 169691794 WOPJZMQNMJVAPN-UHFFFAOYSA-N 370.455 4.658 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc(-c3ccnc(Cl)c3)cc2)c1 219745478 GVAZXNHECYFLDI-CQSZACIVSA-N 366.848 4.902 0 1 FJAF CCCCC[C@H](C)OC[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253632692 AMXGGSMKASENPO-AQYMQRNSSA-N 352.515 4.967 0 1 FJAF COc1ccc(N(CC[C@H]2CCCCN2C)c2ccccc2)cc1OC 474605822 GFPHZVSJDFZILH-GOSISDBHSA-N 354.494 4.716 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c(C)c3[nH]2)cc1 586892832 XIDLWKQUIJGAPD-PIGZYNQJSA-N 359.267 4.779 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H]1CCC(=O)[C@@H](C4)C1)-c1ccccc1C2=O 587101768 VPWZSNGALPOVNC-UONOGXRCSA-N 353.421 4.764 0 1 FJAF Cc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116198 SQPBXHVEHIIMKN-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF COc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cc1Cl 587231471 BAFQENKUDSNASE-UHFFFAOYSA-N 367.836 4.775 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(SC(F)(F)F)cc1)O2 587381961 JFQHRGVIWPJBNA-OAHLLOKOSA-N 353.365 4.896 0 1 FJAF CCC[C@H](OC)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402618 ZYNPHAFYNSLDLR-RBBKRZOGSA-N 353.462 4.945 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC)cc1OC)CC2=O 587476111 DFICTNDTMVCSHW-JOCHJYFZSA-N 370.445 4.633 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@H](c2ccccc2)OC1(C)C 587482266 DLONSBOSMREGKN-NFBKMPQASA-N 366.457 4.989 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3ccc(SC)cc31)CC2=O 587491185 KEOSPAMBIKZUJN-OAQYLSRUSA-N 354.471 4.874 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnn(C)c3)s1)CC2=O 587492019 ABQWVYCMZMKKJE-KRWDZBQOSA-N 368.458 4.513 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1cccs1)CC2=O 587494888 NYXNBWYFQSLVKU-HXUWFJFHSA-N 367.470 4.963 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1sccc12 587616992 IJMXYRZTSXSMCX-WIYYLYMNSA-N 364.422 4.647 0 1 FJAF Fc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1Br 587781035 OQODDKCZTQSBME-QPJJXVBHSA-N 361.214 4.695 0 1 FJAF CCC1(CC)[C@H](OC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587813678 WLNOQGDMFXUCNB-YRILPIOLSA-N 370.306 4.543 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587845025 QFPCIEJBROICRP-PWJLMRLQSA-N 354.288 4.890 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(C3CC3)n2)N1 587850967 GYGOSVHHMNIKMY-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF Cc1nc(-c2cc3cc(OCc4ccccc4)ccc3[nH]2)sc1C(=O)O 653767908 MGHFIQMPAYGIPE-UHFFFAOYSA-N 364.426 4.877 0 1 FJAF COc1cccc(CCC2CCN(CCc3cccc(OC)c3)CC2)c1 653825285 WPPYDMYVMJLSMH-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF CCCCCn1cccc2c(C(=O)NC34CC5CC(CC(C5)C3)C4)cnc1-2 1857577148 MRARHDICLIKHTD-UHFFFAOYSA-N 365.521 4.877 0 1 FJAF CCCn1cnc2c(oc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c1=O 1857751300 SVSWDWVTUYCZNO-UHFFFAOYSA-N 373.334 4.634 0 1 FJAF CC(=O)OCC1=C2C(=O)O[C@@H](CC(C)=CCC1)[C@H]2[C@@H](C)CCC=C(C)C 2356721312 AGPUEDODDFNEDE-FFZOFVMBSA-N 360.494 4.900 0 1 FJAF CC(=O)c1cc2c(N)c(C(=O)Nc3cccc(Cl)c3C)sc2nc1C 2382239740 AGSMZQVOPFRBIS-UHFFFAOYSA-N 373.865 4.604 0 1 FJAF CC1=NCCN1CCO[C@H](c1ccccc1)c1ccc(Cl)cc1Cl 5127266 KAICPRHSALATTA-LJQANCHMSA-N 363.288 4.833 0 1 FJAF O=C(O)C(=O)c1cn(Cc2ccc(F)cc2)c2cc(-c3ccccc3)ccc12 13580616 SMELWCDSZMUKNP-UHFFFAOYSA-N 373.383 4.763 0 1 FJAF C=CC1=C(C)[C@@H]2CC[C@@H]3[C@](COC(C)=O)(C(=O)O)CCC[C@]3(C)[C@@H]2CC1 14445460 MMAYUYRWDRFNKQ-KAHCOFSNSA-N 360.494 4.749 0 1 FJAF biogenic CC(C)c1cc(=O)[nH]c2ccc(N(CC(F)(F)F)CC(F)(F)F)cc12 14968504 VXYMFUUOLVWDBC-UHFFFAOYSA-N 366.305 4.583 0 1 FJAF CC(C)(C)Cn1c2ccccc2c2cc(NC(=O)N3CCOCC3)ccc21 27106394 MWXNDJFIIHASJJ-UHFFFAOYSA-N 365.477 4.705 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34212563 LKCRMGJZGXVDFH-REVVNVNUSA-N 357.538 4.515 0 1 FJAF CCCCC(CCCC)N1N=C(C2=C[C@H]3C=CC=C[C@H]3C=C2)OCC1=O 40414040 NBSKTVFQBIYZTC-ZWKOTPCHSA-N 354.494 4.762 0 1 FJAF Cc1nc(-c2ccccc2Cl)nc(Nc2n[nH]c3ncc(F)cc23)c1C 43199888 HITMUAPNJPXJCI-UHFFFAOYSA-N 368.803 4.568 0 1 FJAF CCn1c(=S)sc2c(NC(=O)Nc3ccccc3Cl)ncnc21 45299642 CZRICZICIXPKMG-UHFFFAOYSA-N 365.871 4.540 0 1 FJAF CCC[C@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O 45506377 AOKLHUSYOXAEGU-ZDUSSCGKSA-N 365.886 4.836 0 1 FJAF CC(=O)OC[C@]12CC=C(C)C=C[C@H]1[C@@H]1CC[C@H](C(C)C)[C@@]1(C(=O)O)CC2 95909210 YDBUKMYAFSATJK-SBOYYNGUSA-N 360.494 4.605 0 1 FJAF biogenic,in-vitro C[C@@H](Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1)c1ccccc1 101354848 SIFWKCGECONQHE-CQSZACIVSA-N 374.419 4.744 0 1 FJAF Fc1ccc(OCCCCCn2c3c(c4cc(F)ccc42)CNCC3)cc1 169350510 SURLWSDQBUIPMZ-UHFFFAOYSA-N 370.443 4.815 0 1 FJAF CC(=O)N[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 255272703 VCWPWIIAWRHOAN-RHEWKBJKSA-N 361.570 4.531 0 1 FJAF CC1(C)CC(=O)c2ccc(OCc3cccc(Br)c3)cc2O1 386037356 KNFKGWFFUWDXON-UHFFFAOYSA-N 361.235 4.772 0 1 FJAF Clc1ccc(OCc2nc3c(Cl)ccnc3[nH]2)c(Br)c1 586977672 PBDIPWWOJRWQTF-UHFFFAOYSA-N 373.037 4.606 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587028793 XHFUDVCISKROGA-UHFFFAOYSA-N 352.316 4.546 0 1 FJAF Cc1cccc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)nc12 587080930 HUMANVIXKUAZEH-UHFFFAOYSA-N 359.820 4.901 0 1 FJAF CCCCOC(=O)CCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106542 LDXYDHITSCGCIT-UHFFFAOYSA-N 359.425 4.722 0 1 FJAF N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587156108 MFWCVXNGFPGKQX-QLJPJBMISA-N 369.749 4.716 0 1 FJAF Clc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c(Cl)n1 587232013 KXWHDXSCKBPIQL-UHFFFAOYSA-N 373.243 4.815 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccccc1F)CC2=O 587469139 WVCWOALGZVGAFY-LJQANCHMSA-N 366.392 4.580 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN([C@@H]3CCC[C@H](C)C3)CC1)CC2=O 587474512 HQWPKTKTZLDQCR-DLBZAZTESA-N 371.521 4.723 0 1 FJAF FC(F)(F)c1cc(C(F)(F)F)c2c(-n3cncn3)c(C3CC3)[nH]c2c1 587628729 YQOAGHACGNYKMD-UHFFFAOYSA-N 360.261 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)c(F)c2)N1 587725941 TUQPCSAWGFDIPI-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF CCCc1cc(NCc2ccncc2)n2nc(C)c(-c3ccccc3)c2n1 621432751 PWLPAXIMUIFWAW-UHFFFAOYSA-N 357.461 4.664 0 1 FJAF Cc1cnc2c(-c3ccc(F)c(C)c3)c(NC(=O)CC(C)(C)C)nn2c1 1857602908 XJZWXAGLLCHRFA-UHFFFAOYSA-N 354.429 4.527 0 1 FJAF COC(=O)[C@H](CCO)CCC1=C(C)[C@H](OC)C[C@@H]2C(C)(C)CCC[C@]12C 2356663132 UXSQCQDABWBTLB-OSGXGRJZSA-N 366.542 4.506 0 1 FJAF O=C(NCCCCc1ccccc1)c1cccc(NC(=O)c2ccccc2)c1 61936298 YQSMBWMCAFCODL-UHFFFAOYSA-N 372.468 4.692 0 3 FJAF CC(C)[C@@H]1Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 253496243 UULPCCRGUXKHKG-AWEZNQCLSA-N 372.515 4.678 0 3 FJAF COc1cc2c(c(C)c1Cl)Oc1cc(OC)c(Cl)c(C)c1C(=O)O2 5921841 AYDBBWJGHVYDQE-UHFFFAOYSA-N 369.200 4.952 0 1 FJAF biogenic CCCCN(Cc1cc2cc(Cl)ccc2[nH]c1=O)C(=O)c1cccs1 66138833 TWCQLHJLFLNQNK-UHFFFAOYSA-N 374.893 4.686 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2ccnn2[C@@H]1c1cccc(Cl)c1Cl 100859576 YKLHHAHOSWUXGN-NWCRWOLESA-N 352.221 4.691 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)cc(F)c3[nH]2)c1 587158215 HVTBYUOKLMOEIY-UHFFFAOYSA-N 364.330 4.986 0 1 FJAF Fc1ccc(-n2nnc(-c3nc4cc5ccccc5cc4[nH]3)c2C2CC2)cc1 587169196 WYAVGYLBWRUFKF-UHFFFAOYSA-N 369.403 4.980 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4ccc([C@@H](N)N=O)cc4[nH]3)c2)c1 587232901 DTUKQBDXBQWSBQ-FQEVSTJZSA-N 357.417 4.662 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3c(Br)cccc13)O2 587373404 UXZDZYZFLVSDJT-MRXNPFEDSA-N 371.234 4.528 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccc1N)CC2=O 587468175 BOFBRDZYMDQENQ-DEOSSOPVSA-N 373.452 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587469684 OOSYPUNOZVDCOA-VUBIOCNBSA-N 357.450 4.640 0 1 FJAF Cc1ccc2[nH]c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587586504 CNXPVPNSEXIUPL-NZQKXSOJSA-N 371.392 4.885 0 1 FJAF C[C@]1(c2sccc2Cl)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615491 XNYBFXIWGYLMDM-KXBFYZLASA-N 372.829 4.984 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(=O)OC)c2c1 587640084 BNKYUUNZCIGMCD-LBPRGKRZSA-N 353.393 4.843 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccc(O)cc2)N1 587835804 YJUKPOORYWIRGA-BDJLRTHQSA-N 364.258 4.502 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3cc(C(F)(F)F)cc(Cl)n3)n1)O2 587874409 ZFLKJDILIJFTGT-UHFFFAOYSA-N 355.678 4.851 0 1 FJAF COc1ccccc1NC(=O)Cc1nc(-c2ccc(SC)cc2)cs1 587925670 SNDPBNFBOIQDKZ-UHFFFAOYSA-N 370.499 4.722 0 1 FJAF Cn1cccc1CN1CCc2sccc2[C@@]1(C)c1cccc2c1CCC2 962398968 OPGVDLDVDJOADI-HSZRJFAPSA-N 362.542 4.897 0 1 FJAF COc1cc([C@@H]2NCCc3cc(-c4ccccc4)ccc32)cnc1Cl 962665235 HBNFTBNFDKBTDE-FQEVSTJZSA-N 350.849 4.646 0 1 FJAF CC1(C)CC(Nc2nccc(Nc3ccc(Cl)cc3)n2)CC(C)(C)N1 1857590124 URPMQALECTWQFP-UHFFFAOYSA-N 359.905 4.595 0 1 FJAF Oc1ccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)c(F)c1 2382241549 NSOSZINBYIXFSS-UHFFFAOYSA-N 373.309 4.927 0 1 FJAF CCCOC1(OCCC)[C@H]2c3ccccc3[C@H]([n+]3ccccc32)C1(C)C 27518235 FXQHUFQIJNCSSB-SFTDATJTSA-N 352.498 4.598 0 1 FJAF CCCOc1ccc(CN2CCN(Cc3cc4ccccc4o3)CC2)cc1 58568527 XPJMTJRBFHPHRB-UHFFFAOYSA-N 364.489 4.539 0 1 FJAF O=C1c2ccccc2C(=O)N1CCCCCCCCOc1ccccc1 58569290 NUWVOBYTPJZGQI-UHFFFAOYSA-N 351.446 4.702 0 1 FJAF CCN(CC)CCCOc1ccc2c3c(nccc13)-c1ccccc1C2=O 71335225 ZDPSFZOJIPSGRF-UHFFFAOYSA-N 360.457 4.557 0 1 FJAF Cc1ccc(-c2nc(CN3CCN(c4cc(C)ccc4C)CC3)co2)cc1 72185207 KAAMRBVEHVSZED-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF Nc1scc(COc2ccc(F)cc2)c1C(=O)c1ccc(Cl)cc1 96913274 NQPWBAOKPLAREV-UHFFFAOYSA-N 361.825 4.933 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Br)ncc2[nH]1 586895927 CJHBHRRCEJBTAV-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Fc1cc2[nH]c(-c3ccc4[nH]nc(Br)c4c3)nc2cc1Cl 587006556 GUCRLOFNQXJFJB-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cccc(C(F)(F)F)c2[nH]1 587069945 MUOKKHCLHBIZFU-NSHDSACASA-N 353.775 4.520 0 1 FJAF Cc1ccc2c3c(cc(C(=O)OCCC(C)C)nc13)-c1ccccc1C2=O 587095980 DUQDVAYFNSQOPA-UHFFFAOYSA-N 359.425 4.958 0 1 FJAF Cc1ccc2c3c(cc(CC4(C(=O)O)CCC4)nc13)-c1ccccc1C2=O 587101986 RXHJFVSYWQZHFD-UHFFFAOYSA-N 357.409 4.552 0 1 FJAF CCOc1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)ccc1OC(F)F 587130393 LKKNFPLQLTUACH-YWEYNIOJSA-N 365.767 4.782 0 1 FJAF Oc1nc2cc3nc(-c4ccccc4-c4ccc(F)c(F)c4)[nH]c3cc2[nH]1 587146062 XQTGDCSDYVPPLB-UHFFFAOYSA-N 362.339 4.757 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)O2 587173558 DVJMQJWODSLQHG-FQEVSTJZSA-N 360.388 4.957 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c1ccc(Cl)c3Cl)O2 587380440 UTOWLQZYGQVRLU-GOSISDBHSA-N 364.228 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C(/C)N(C)C)(c1cccs1)CC2=O 587492351 CKVWBZTVJPMYTF-KXXOPMGUSA-N 371.502 4.732 0 1 FJAF Cn1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587574455 AZALMLHGNNNKFY-OFNKIYASSA-N 371.392 4.587 0 1 FJAF C[C@]1(c2ccccc2S)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587611942 HSQXHGBWCIYUBW-GHTZIAJQSA-N 364.422 4.558 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NC1C2CC3CC(C2)CC1C3 587631609 QMPJNXKMNIEBFV-UHFFFAOYSA-N 360.860 4.823 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2F)N1 587723733 BZWOEOLYRTVSRX-XYZCENFISA-N 370.212 4.664 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1CCN1CCCCC1 587859824 MHCGPOGDVHVITE-UHFFFAOYSA-N 368.308 4.742 0 1 FJAF Clc1ncc(Br)c2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c12 587962636 YFKRAYQBXXTTLD-QWRGUYRKSA-N 362.658 4.720 0 1 FJAF Cn1ccc2c3ccccc3nc-2c1C(=O)c1ccc(C(F)(F)F)cc1 653784997 QWUALICYWCKZPX-UHFFFAOYSA-N 354.331 4.928 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1cnc(CCc3ccccc3)s1)NCC2 962142873 GNXCUXQFXNMRJB-OAQYLSRUSA-N 352.478 4.611 0 1 FJAF O=C(c1ccccc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 1857574451 VWWJXDVITXAQPU-UHFFFAOYSA-N 355.393 4.922 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@](O)(C(C)C)[C@@H]23)cc1 2356685801 FWEXPIFVUNZITF-SKWRMQMOSA-N 372.505 4.764 0 1 FJAF CCNC(=O)OC1=C(c2ccc(C)cc2)Oc2ccccc2-n2cccc21 13491314 ADTLKPBBNCJLJD-UHFFFAOYSA-N 360.413 4.750 0 1 FJAF COC1(c2cccc(OCc3ccc4ccccc4c3)c2)CCN(C)CC1 13725386 WLGMYHCSCSHJRS-UHFFFAOYSA-N 361.485 4.986 0 1 FJAF CN1Cc2ccccc2C2(CCN(C3CCC(C(C)(C)C)CC3)CC2)C1=O 14977286 KVKKMSGMLQKOOS-UHFFFAOYSA-N 368.565 4.597 0 1 FJAF O=C(O)c1ccc(Nc2nnc(-c3cccc(C(F)(F)F)c3)s2)cc1 40845181 WEGGCWJWMCYGCL-UHFFFAOYSA-N 365.336 4.666 0 1 FJAF CC(C)CN(C)C(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1 49807822 XZHOYHKWBQJJRK-UHFFFAOYSA-N 372.472 4.953 0 1 FJAF CCc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 66259837 CFKUCOUIOSATKL-CPOKCXMASA-N 363.501 4.867 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1cccc(Br)c1 84740247 UKHBLAPJHABVAR-UHFFFAOYSA-N 356.672 4.899 0 1 FJAF COc1ccc(-c2ccc(-c3cc(=O)c4ccc(O)cc4o3)s2)cc1 96914986 OXOWGPLWTXGEHY-UHFFFAOYSA-N 350.395 4.903 0 1 FJAF CC(C)CC[C@@](C)(O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321643 LPUXXLIFOUINQW-MOUTVQLLSA-N 373.581 4.884 0 1 FJAF CC[C@@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@H](C)CC)nc2-c2ccco2)C1 299880730 MTSFAZQUXASQPT-BZUAXINKSA-N 370.497 4.598 0 1 FJAF Cc1cc(-c2nc3cc(C(=O)O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879324 OBQPVPBITVUMJJ-UHFFFAOYSA-N 372.380 4.602 0 1 FJAF Cc1cc2[nH]c(COc3ccc(Cl)cc3Br)nc2c(C)n1 586977466 WCVQCBTXQIZPDM-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF c1cnc2ccc3nc(-c4csc(-c5ccc6c(c5)CCO6)n4)[nH]c3c2c1 587018149 XKVZDVWFLCAOEA-UHFFFAOYSA-N 370.437 4.837 0 1 FJAF Cc1nc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cs1 587376081 OMGITMJLXVAZJK-UYAOXDASSA-N 369.417 4.571 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587418628 AFHIEJUNLFQACU-DJJJIMSYSA-N 363.240 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1ccc(OC)c(Cl)c1)CC2=O 587461686 LWICNONOYXYSII-NRFANRHFSA-N 374.864 4.973 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(CCC)nc1C1CC1)CC2=O 587475047 KPVGJPRYMVTVSC-LJQANCHMSA-N 354.450 4.535 0 1 FJAF CCOC(=O)C[C@@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527202 WQKFTJRXTXWUMV-JOCHJYFZSA-N 358.478 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccc(F)cc2)N1 587729883 DUWHIIQTOVWYTR-VOJFVSQTSA-N 366.249 4.719 0 1 FJAF CCNc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587756540 RAECBBKJPLQKFC-ZMZPIMSZSA-N 363.274 4.644 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc3ccccc3c2)N1 587777722 JEZDXQUBCXBWKG-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CC(C)(C)CCC2=O)N1 587819163 GXINEFXPHWFFHL-JUKMUDQWSA-N 368.290 4.559 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3cc(C)cc(Br)c3[nH]1)CC2 587933967 BTFKDPXRAQGWCC-ZDUSSCGKSA-N 371.278 4.915 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 587951870 JGVQMIGEJZFYGA-HIFPTAJRSA-N 372.387 4.539 0 1 FJAF C/C(=C/c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C1CCCCC1 587967554 KYFMCELKFCBMSQ-OWBHPGMISA-N 363.465 4.606 0 1 FJAF Nc1cccc2c1[C@]1(c3ccccc3-2)c2c(F)cccc2C[C@@H]2CCCN21 963102644 FYJOLMGZDUHHSI-FYSMJZIKSA-N 356.444 4.701 0 1 FJAF Oc1ccc(-c2ccc3c(-c4ccc(CN5CCCCC5)o4)[nH]nc3n2)cc1 1857556006 HDZQQQYWZGABFO-UHFFFAOYSA-N 374.444 4.576 0 1 FJAF CCCCCCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@@H]2C1=O 1857561449 IDONKHMTHFSOMG-NFJKTXFASA-N 373.496 4.633 0 1 FJAF CN=c1nc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)cc[nH]1 1857754706 NIHGXJMAWRSPNB-UHFFFAOYSA-N 358.470 4.706 0 1 FJAF CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C(F)(F)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2356318420 OTTUKNSDVUSPGW-SBCDLMKJSA-N 350.449 4.969 0 1 FJAF CC(C)=CCc1c(O)cc2oc(C=Cc3ccc(O)cc3)cc(=O)c2c1O 2356456559 JCAGQYRMQLGPBF-UHFFFAOYSA-N 364.397 4.589 0 1 FJAF Cc1cccc(Cl)c1Nc1nc2ccc(N(C)C)cc2n2cncc12 13860316 UOEVKFRUNHRBHM-UHFFFAOYSA-N 351.841 4.654 0 1 FJAF COc1cc2c(c(OC)c1CC=C(C)C)[C@H]1Oc3cc(O)ccc3[C@@H]1CO2 14819614 ZCGOJWAIXQAUMW-AOMKIAJQSA-N 368.429 4.528 0 1 FJAF endogenous,in-man O=C(O)COc1ccc2c(-c3ccc(Cl)c(Cl)c3)noc2c1Cl 27441827 MYYAMXZMSCYZAJ-UHFFFAOYSA-N 372.591 4.918 0 1 FJAF Cc1cc(OCc2ccc(F)cc2)cc(N2C(=O)c3ccccc3C2=O)c1 28572547 NMKAJVMYIOJXPQ-UHFFFAOYSA-N 361.372 4.514 0 1 FJAF OC1(c2cccc(F)c2)CCN(C(c2ccccc2)c2ccccc2)CC1 28817074 AXBTYZPRVDTMRF-UHFFFAOYSA-N 361.460 4.899 0 1 FJAF in-vivo c1cc2c(c(OCCCN3CCCCC3)c1)CN(CC1CCCCC1)CC2 36188056 XJYRZUUBOSIZMU-UHFFFAOYSA-N 370.581 4.880 0 1 FJAF O=C(O)[C@@H]1[C@H]2c3ccc(Oc4ccc(C(F)(F)F)cc4Cl)cc3O[C@H]21 40403507 LUOBBBRZVISPTB-RBSFLKMASA-N 370.710 4.710 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(O)cc3)c2O[C@@H]1C(F)(F)F 66101377 JDTBZAHAUIUATQ-HNNXBMFYSA-N 370.710 4.504 0 1 FJAF COc1ccc(-c2nc(CNCc3ccc(C(F)(F)F)cc3)co2)cc1 72183749 CSSIIHALJHUAAS-UHFFFAOYSA-N 362.351 4.659 0 1 FJAF c1cc2cc(CN3CCC[C@@H](Nc4ccc5[nH]ncc5c4)C3)ccc2s1 114337348 HHDLBGHLDFIDKP-LJQANCHMSA-N 362.502 4.854 0 1 FJAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccc(C)nc2)c1 218336871 HYEPOVXCPOLZRC-JOCHJYFZSA-N 371.440 4.916 0 1 FJAF Cc1cccc(C)c1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 253684614 NAQVTFNHEFCUNX-IZAXUBKRSA-N 356.441 4.954 0 1 FJAF Cc1ccc(OC(=O)[C@@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)cc1 261157526 QGPBRSDGYQTSKG-GFOJFJKKSA-N 369.892 4.820 0 1 FJAF Clc1ncc(Br)c2nc([C@@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885288 LWBJCXJJAPBPRL-APPDUMDISA-N 374.669 4.745 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587195775 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DHLSDLBLOCBLOL-UHFFFAOYSA-N 354.372 4.904 0 1 FJAF Cc1ccc2c(ccc3nc(-c4sc(Br)nc4C)[nH]c32)n1 587011244 MQEXYGPMAZRGEF-UHFFFAOYSA-N 359.252 4.614 0 1 FJAF CC(C)Oc1ccc2nc(CCCC(=O)c3ccc(Cl)cn3)[nH]c2c1 587080739 FOXVZHWLMOUDLM-UHFFFAOYSA-N 357.841 4.604 0 1 FJAF Cc1cncc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587109259 FBPPVRGTWQSMJG-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF O=C(/C=C/c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)Nc1ccccc1 587244349 OADRHJIGPWRXFY-VOTSOKGWSA-N 365.742 4.887 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(C1CCOCC1)O2 587379686 VXFIBFQLEAPLNL-OAQYLSRUSA-N 371.864 4.518 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587453508 XAFWHIIZRVFOLN-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCOCc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587525100 PTTIPJGXOMJVCO-JOCHJYFZSA-N 366.457 4.817 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cscc1Cl 587619598 TWFLHYOVLAYYQQ-YJBOKZPZSA-N 358.802 4.810 0 1 FJAF CC(C)CSC[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587841881 CJZCSLQHWSFJGU-ZBEGNZNMSA-N 360.336 4.727 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1Cc1ccc(Cl)cc1 587868675 RFGNQYVWOOMCAL-UHFFFAOYSA-N 367.758 4.674 0 1 FJAF C[C@H](Cc1nc(-c2ccc(F)c(F)c2)cs1)NC(=O)OC(C)(C)C 587922486 TVBIATYDRCBYOB-SNVBAGLBSA-N 354.422 4.544 0 1 FJAF OC1(c2ccc(-c3ccccc3)cc2Nc2nccc(C(F)(F)F)n2)CC1 1772653243 BYAWWJAFSOQUFW-UHFFFAOYSA-N 371.362 4.887 0 1 FJAF c1ccc(-c2nc(SCCC3OCCCO3)[nH]c2-c2ccccc2)cc1 599762 BFWSSKVDOQTWRR-UHFFFAOYSA-N 366.486 4.989 0 1 FJAF CCN(CC)C(=O)c1ccc([C@H](c2ccccc2)N2CCCCC2)cc1 13803482 YUVBUYRBSQWACN-QFIPXVFZSA-N 350.506 4.744 0 1 FJAF Cc1cc(Cl)ccc1-n1nc(Sc2ccc(F)cc2F)ccc1=O 14961531 HUPPBGGBZDOKDR-UHFFFAOYSA-N 364.804 4.624 0 1 FJAF Fc1ccc2nc(NCCNc3nc4ccc(F)cc4s3)sc2c1 28903314 UVGJKYJYPFLPDO-UHFFFAOYSA-N 362.430 4.708 0 1 FJAF CC(=O)O[C@H]1Cc2ccccc2O[C@H]1c1ccc(OCc2ccccc2)cc1 45394037 DOJDDARINLNFMZ-ZEQRLZLVSA-N 374.436 4.874 0 1 FJAF CO[C@@H]1C[C@@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169340418 BLHLYSLDSMMWFB-PPGORRQASA-N 371.908 4.696 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 195351291 ZVYVEQWQWNSQIJ-WLRLJWMZSA-N 369.892 4.820 0 1 FJAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2cc(Cl)ccc2S[C@H]31 220444075 NTSHLXDNFFHWNE-LJQANCHMSA-N 370.861 4.633 0 1 FJAF COc1cccc(-c2cc(=O)c3cc(Cl)cc(NC(C)C)c3o2)c1N 299829028 JUFCJJWLIIDVPD-UHFFFAOYSA-N 358.825 4.525 0 1 FJAF OCc1cccc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586895433 GXBAEGVABMDTJP-UHFFFAOYSA-N 357.438 4.999 0 1 FJAF CN(C)CCOc1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898004 DQLQPGKOYHTHFJ-UHFFFAOYSA-N 373.456 4.543 0 1 FJAF COc1cc(-c2nc3cc4cn[nH]c4cc3[nH]2)cc(Cl)c1OCC(C)C 587046269 OQXZDTCNATWGTE-UHFFFAOYSA-N 370.840 4.803 0 1 FJAF Cc1cc(Br)c2[nH]c(C[C@@H](N)c3ccccc3Cl)nc2c1 587056540 IOKRPYNHFWHVDC-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Clc1ccc(-n2cc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)nn2)cc1 587076910 ZZFUCOSINHMIOQ-UHFFFAOYSA-N 364.623 4.771 0 1 FJAF CCOC(=O)[C@H](CC)c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096153 ADTCFMARPSVWEC-CQSZACIVSA-N 359.425 4.811 0 1 FJAF Nc1c(F)c(F)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1F 587137093 SORCEGWOUXHYDZ-UHFFFAOYSA-N 369.346 4.808 0 1 FJAF COC(=O)c1sc2ncc(-c3cc4c5c(cccc5n3)CC4)cc2c1C 587358240 BQTIGGFEQYOLIW-UHFFFAOYSA-N 360.438 4.705 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccc(C(=O)O)cc1)O2 587406082 FJZIVNZGXOEQFP-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCOc4c(C(C)C)ccc(C)c41)[C@@H](C2)C3=O 587454741 WPOVEIARRGSOJE-SBUREZEXSA-N 364.441 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1N(C)C1CC1)CC2=O 587467224 PDTMKPZOWYVPCO-OAQYLSRUSA-N 369.436 4.789 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C1CC1 587616034 YRPAUKSECGILOL-NQIIRXRSSA-N 364.422 4.721 0 1 FJAF COc1ccc(NC(=O)Nc2nc3ccc(Cl)cc3s2)cc1OC 653882250 CGKFAJUOYFTNAX-UHFFFAOYSA-N 363.826 4.611 0 1 FJAF CC(C)CN1CCc2cccc3[nH]cc(c23)[C@H]1c1ccc(/C=C/C(=O)O)cc1 1857601039 FJOTVKIMZYPXQE-NOENIZQJSA-N 374.484 4.869 0 1 FJAF CCOC(=O)Nc1cc(F)c(NCc2ccc(C(F)(F)F)cc2)cc1N 1857608405 MOHQEPDZBAPBMD-UHFFFAOYSA-N 371.334 4.607 0 1 FJAF CC=C(C)C(=O)O[C@]1(C)CCC2=C(C(C)C)[C@@H](OCC)C[C@@]2(C)CC1=O 2356692089 JAFLAPVIZWDZGL-BULFRSBZSA-N 362.510 4.775 0 1 FJAF CCOc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@H]23)C4(Cl)Cl)cc1 13154139 VSTUIVZSQLCSLN-CAOSSQGBSA-N 368.304 4.880 0 1 FJAF CN(C(=O)c1cc(Cl)c(N)c(Cl)c1)C12CC3CC(CC(C3)C1)C2 36286455 YKQHBKKDQMAMNG-UHFFFAOYSA-N 353.293 4.616 0 1 FJAF O=C(Nc1cc(-c2ccncc2)c[nH]c1=O)c1ccc(C2CCCCC2)cc1 38224759 CHXDTVSEOSVSFP-UHFFFAOYSA-N 373.456 4.737 0 1 FJAF CN1CCC[C@@H]1CCn1cc(C(=O)C2C(C)(C)C2(C)C)c2ccccc21 45315326 LFTRETXSBJCGDP-MRXNPFEDSA-N 352.522 4.991 0 1 FJAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)S1 45358467 FGWXKQPDHTZNHB-CQSZACIVSA-N 368.241 4.680 0 1 FJAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@H](O)CC1CCCC1 73156874 NXFKNBFDVUOVHU-HXUWFJFHSA-N 370.464 4.961 0 1 FJAF CCOc1ccc([C@H]2C3=C(O)CCCC3=NC(C)=C2C(=O)OC(C)C)cc1 103993221 CLWIXWPETCKMPL-HXUWFJFHSA-N 369.461 4.845 0 1 FJAF N[C@H](Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12)C(=O)O 146627202 XOWAFGZKNRCEGG-OAQYLSRUSA-N 372.424 4.582 0 1 FJAF Fc1ccc([C@H](CC2CNC2)Oc2cccc(OC(F)(F)F)c2)cc1F 299835957 FJRHKFCLJYAKFM-KRWDZBQOSA-N 373.321 4.593 0 1 FJAF Cc1c(Oc2ccccc2F)c(OC(C)C)nn1-c1ccc(C2CC2)nn1 474608918 MYRGTUGHSFYWAL-UHFFFAOYSA-N 368.412 4.567 0 1 FJAF C[C@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587098269 POQGVDKCQZPZKK-QMMMGPOBSA-N 352.287 4.571 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4c(Br)ccnc4[nH]3)C2)c1 587131803 UOQNBMUOHYHREK-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF Clc1ccccc1-c1nc2cccc3c2c(c1CC1OCCCO1)CC3 587209010 FGXUMYSFMKDELF-UHFFFAOYSA-N 365.860 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587454488 ZZRFUJXNJCFXCM-XXFAHNHDSA-N 355.242 4.726 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1OCC1CC1)CC2=O 587467252 PQTFCSJWNCIXFO-NRFANRHFSA-N 370.420 4.979 0 1 FJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)n1 587515674 OAKWAVNPWLGRRA-JPYJTQIMSA-N 364.489 4.898 0 1 FJAF CC(=O)Sc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587532127 LGFSVAASXVJZKG-FQEVSTJZSA-N 352.455 4.911 0 1 FJAF Cc1ccccc1NC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661257 VPDRTLNHOIAVIG-UHFFFAOYSA-N 373.387 4.591 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3cccc(Br)c3[nH]1)CC2 587935225 QWDHQANEPPMOGC-GFCCVEGCSA-N 357.251 4.607 0 1 FJAF CCCC/C=C\c1nc2c(Br)cnc(Br)c2[nH]1 587964902 FCEKXQPNEGINAI-WAYWQWQTSA-N 359.065 4.686 0 1 FJAF C[C@@H](NC(=O)OCC(Cl)(Cl)Cl)c1nc2ccc(F)cc2s1 653692069 UFQJJHFCVICJPI-ZCFIWIBFSA-N 371.648 4.593 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](CCCN(C)C)(c2ccccc2)N1 962962424 VOZYUFGGQIMUBK-NTKDMRAZSA-N 361.533 4.678 0 1 FJAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963109068 YRYQXKWFDFABCQ-MBSDFSHPSA-N 361.464 4.808 0 1 FJAF Cc1cc(=O)oc2cc(OCc3cc(-c4cc(F)cc(F)c4)no3)ccc12 1772623935 HGEUVUUVBIVKFH-UHFFFAOYSA-N 369.323 4.614 0 1 FJAF CC=C[C@@H]1OC[C@]2(COC(=O)NC3CCCCC3)[C@@H](C)[C@@H]1C(C)=C[C@H]2C 2356437151 IOUYXYGRBKBIAU-WDMRIIIPSA-N 361.526 4.855 0 1 FJAF COC(=O)c1ccc(O)c(C[C@@H]2[C@](C)(O)CC[C@H]3C(C)(C)CCC[C@]32C)c1 2356715239 RXPHHRPSFMZFFI-BZRIBIQUSA-N 374.521 4.715 0 1 FJAF C[C@@H]1C=CC=CC=CC=CC=C[C@H](O)CC=CC=CC=CC=CC(=O)NC1 2356793571 KPEMWDNFHKXYQE-PKTZIBPZSA-N 363.501 4.509 0 1 FJAF FC(F)(F)c1cccc(-c2cc3c(cn2)ncn3Cc2cccnc2)c1 74388730 PWRVEEQIONZYKJ-UHFFFAOYSA-N 354.335 4.560 0 3 FJAF O=C1CCCC2=C1[C@H](c1cccc(Br)c1)C1=C(O)CCCC1=N2 1188217 YLHBGLOYIMFGKN-QGZVFWFLSA-N 372.262 4.990 0 1 FJAF COc1ccc(-c2c3c(nn2-c2ccccc2)-c2ccccc2C3=O)cc1 13492121 JJFMHVDUDNRAIE-UHFFFAOYSA-N 352.393 4.759 0 1 FJAF COc1ccc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 14488312 HSMDOSKNXLVXIP-BKOMJCAWSA-N 356.418 4.517 0 1 FJAF biogenic,in-vitro Cc1cc(CCCCCCCOc2ccc(C3=NC[C@@H](C)O3)cc2)on1 29487722 BFAQBFRVLDCXCV-QGZVFWFLSA-N 356.466 4.720 0 1 FJAF C[C@H](Oc1cc(-c2cc[nH]n2)cnc1N)c1c(Cl)ccc(F)c1Cl 38214916 DROZDYQMLMYEQK-QMMMGPOBSA-N 367.211 4.640 0 1 FJAF O=C(c1ccc[nH]1)[C@@H]1c2ccccc2-c2ccccc2N1C(=O)c1ccco1 40424155 VZXSJUJGEIQSNE-NRFANRHFSA-N 368.392 4.859 0 1 FJAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2c(C)n[nH]c2c1 40918370 CLQPQCYSCCGDCY-UHFFFAOYSA-N 360.392 4.633 0 1 FJAF CCCCCCOc1ccc(C(=O)CCN(C)C)cc1Br 42922382 BWQLNSCWGRGBIF-UHFFFAOYSA-N 356.304 4.543 0 1 FJAF O=C(CCc1ccccc1)c1cc(F)ccc1OC[C@@H](O)CC1CCCC1 73156880 NXFKNBFDVUOVHU-FQEVSTJZSA-N 370.464 4.961 0 1 FJAF CCCC[C@@]12C[C@@]1(C(=O)OCC=C(C)C)C(=O)Nc1ccc(Cl)cc12 101489085 JUINEQCYLQNDPS-PMACEKPBSA-N 361.869 4.620 0 1 FJAF Oc1cccc2c1OCC(c1nc3cc(Oc4ccccc4)ccc3[nH]1)=C2 586909440 YWQOTVUXGKHQTE-UHFFFAOYSA-N 356.381 4.994 0 1 FJAF FC(F)(F)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587043101 YDWLLYGTMLLGFB-CVEARBPZSA-N 363.408 4.528 0 1 FJAF Fc1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587080041 KNYLTTSVKYYDQJ-ZDUSSCGKSA-N 367.605 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@H]1c1ccc(Cl)s1)[C@@H](C2)C3=O 587449718 GQJSJKVAKDASDV-SNCMPBNLSA-N 360.862 4.720 0 1 FJAF CCn1nc(C(F)(F)F)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587510832 YWERXNZSCIRTBL-MRXNPFEDSA-N 364.367 4.507 0 1 FJAF C[C@@H]1c2ccccc2CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602480 IBFRANWSLYZHEF-SJODRWRQSA-N 372.420 4.843 0 1 FJAF CCc1[nH]c2c(C(=O)O)cccc2c1Cc1ccc(Br)cc1 587637617 DNVPFIAEQXQJKD-UHFFFAOYSA-N 358.235 4.782 0 1 FJAF CC[C@]1(c2ccccc2F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587725427 DKWUNTFKAAJXPG-BBATYDOGSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3[nH]2)N1 587808367 ZDANJJGMOUKITH-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF CC1=C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C[C@@H]1C2(C)C 587817516 LJTACMYHVWQEPV-GATJQBSYSA-N 364.302 4.940 0 1 FJAF C[C@H]1C[C@@H]1c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831007 VDCQWXLSBBWACE-JIGGAODRSA-N 364.258 4.928 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSC(C)(C)C)N1 587841140 PYCJGDQZAOEVOQ-HWPZZCPQSA-N 360.336 4.869 0 1 FJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(Br)cc2[nH]1 587928749 BYWXBWBJTQNAJT-ACJLOTCBSA-N 357.251 4.779 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cccc(C(F)(F)F)c3[nH]2)CC1 587951913 JTDGXNIXXHLPIC-HIFPTAJRSA-N 356.388 4.659 0 1 FJAF FC(F)(F)Oc1cc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc2c1 587966868 HMZPKHKSFHKBDX-QXFUBDJGSA-N 373.172 4.904 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1ccc(O)cc1 653887478 CNCIENOCRUMFQU-MDNUFGMLSA-N 356.425 4.533 0 1 FJAF Cc1ccc2nc(-c3ccccc3)c(OCCOc3ccc(F)cc3)n2c1 1772581267 VVLRZVKTBXCVBE-UHFFFAOYSA-N 362.404 4.907 0 1 FJAF CC(C)=CCc1cc(C(=O)O)cc(CC=C(C)[C@@H](O)CC=C(C)C)c1O 2356650600 LAAGNRGTRFQJND-FQEVSTJZSA-N 358.478 4.805 0 1 FJAF Cc1ccc(CN(C[C@@H](O)COc2ccc3[nH]ccc3c2)C(C)(C)C)cc1 2382259768 GRTCRJWKMPOLHR-HXUWFJFHSA-N 366.505 4.517 0 1 FJAF CCCCCSC[C@@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382260468 ZUUHDDHXNUOSMK-VOQZNFBZSA-N 361.595 4.672 0 1 FJAF O=C(NC1CCCC1)c1nc(-c2c(F)cccc2F)oc1-c1ccccc1 95599845 RNZCDRMHBNHTJW-UHFFFAOYSA-N 368.383 4.959 0 3 FJAF CCCCN(C)C(=O)Oc1nsnc1-c1c(Cl)cccc1Cl 5973396 SIMFRELFPMFAIL-UHFFFAOYSA-N 360.266 4.743 0 1 FJAF CC(C)=CCC[C@]1(C)Oc2c(CC=C(C)C)cc(C(=O)O)cc2C[C@H]1O 13461825 BZURYTKOXWYRAG-KNQAVFIVSA-N 358.478 4.694 0 1 FJAF biogenic CCc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 13558366 NTZHVNBCKZNRHS-UHFFFAOYSA-N 372.424 4.886 0 1 FJAF COc1ccc2c(c1)CC[C@H](CCN1CCC(c3ccccc3)CC1)C2=O 13588376 HRMMILVLHGLQCI-HXUWFJFHSA-N 363.501 4.710 0 1 FJAF CCCCCC(=O)CCCCC[C@@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772431 NKOQQNIPHFLJDL-NRFANRHFSA-N 364.482 4.672 0 1 FJAF biogenic Cc1c(F)ccc2c(C(=O)O)cc(-c3ccc(Br)cc3)nc12 27619176 QJUZISYXDUDJQC-UHFFFAOYSA-N 360.182 4.810 0 1 FJAF CCOP(=O)(CCCCOc1ccc(OC)cc1Cl)OCC 27756922 RLHRRSARCRNDQO-UHFFFAOYSA-N 350.779 4.774 0 1 FJAF CO[C@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 27980120 BLHLYSLDSMMWFB-LLVBAIKDSA-N 371.908 4.696 0 1 FJAF C[C@]1(CCCCCCC(=O)Nc2ccccc2N)Cc2ccccc2C1=O 28824225 JRVIPUHBRFZBKR-QHCPKHFHSA-N 364.489 4.993 0 1 FJAF O=C(O)[C@@H]1CCCN(CCCSC(c2ccccc2)c2ccccc2)C1 28902525 PXCXHGNQLUACSU-HXUWFJFHSA-N 369.530 4.696 0 1 FJAF CCCSc1c(C)on(C(=O)N(c2ccc(Cl)cc2)C(C)C)c1=O 39096448 YTCHEZYFIIHDOD-UHFFFAOYSA-N 368.886 4.788 0 1 FJAF FC(F)(F)Oc1cccc(-c2ccc3nnc(-c4ccccc4)n3c2)c1 74387367 NNVPXFRPFIMHGQ-UHFFFAOYSA-N 355.319 4.962 0 1 FJAF O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@H]2CCCCCN12 96935406 OWIHVELGSPPGGW-GFCCVEGCSA-N 359.476 4.767 0 1 FJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(Cl)c3)[C@@H]12 102938141 NEFBVFIRHDIGMR-FUHWJXTLSA-N 357.240 4.666 0 1 FJAF OCCCCCCCCN=c1c2c([nH]c3cc(Cl)ccc13)CCCC2 473150971 NSZBCRMNDPJYII-UHFFFAOYSA-N 360.929 4.934 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc(F)c3[nH]2)cc1 586887111 HFBFIAHBOSGLOA-HWPZZCPQSA-N 363.230 4.610 0 1 FJAF FC(F)(F)Oc1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017671 OUZZGHRQLIQNLO-UHFFFAOYSA-N 365.336 4.769 0 1 FJAF O=C1CSc2ccc(-c3nc4cc(Cl)cc(Cl)c4[nH]3)cc2N1 587042817 HKJOCXGBZYWICW-UHFFFAOYSA-N 350.230 4.581 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)C(F)(F)F)CC3 587103089 BDACAGKLRVBLAR-AWEZNQCLSA-N 367.326 4.607 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2ccc(C(C)(C)C)nc2[nH]1 587229105 OJINPTXOEREFRY-UHFFFAOYSA-N 352.482 4.617 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 587232851 DKPWMTCZJFYUMZ-RYUDHWBXSA-N 369.387 4.743 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3[nH]c4ccc(Cl)cc4c31)O2 587379722 KFCWBEVPQFYIFO-OAQYLSRUSA-N 366.848 4.909 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnc(-c3cccc(F)c3)s1)O2 587385916 WDNOFEOJQLXYPQ-INIZCTEOSA-N 354.406 4.546 0 1 FJAF O=C1C[C@H](c2cc(O)ccc2Br)Oc2c1ccc1c2CCCC1 587501576 JDBWJQCZMZULMW-GOSISDBHSA-N 373.246 4.740 0 1 FJAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-c1ccccc1 587511111 DNDVNLPKEINLSA-NRFANRHFSA-N 358.441 4.672 0 1 FJAF C[C@H]1CCCC[C@@H]1N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515890 WZHDMSQNPHOTHI-UWJYYQICSA-N 367.533 4.944 0 1 FJAF Cc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528226 YBCJKBDVGSJBPW-OAQYLSRUSA-N 358.441 4.970 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2c(C)cc(Cl)cc12 587624709 POWQRCOMNVJRJW-UHFFFAOYSA-N 359.784 4.682 0 1 FJAF CCc1c(C)[nH]c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587793566 QYSCXYWJKCMTLA-DYBLOJMWSA-N 365.290 4.719 0 1 FJAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587825915 CAPZJPFLLXZCQI-HUTHGQBESA-N 352.247 4.596 0 1 FJAF Cc1cc2c(o1)CCC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587830454 FCACXFWYGKQPFU-YPMLDQLKSA-N 364.258 4.604 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2scnc2C2CC2)N1 587853080 KRYLPXSTJNDMSD-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF Cc1cc(Cl)ccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874378 XYOGEJGZPIXLQI-UHFFFAOYSA-N 358.756 4.476 0 1 FJAF COc1ccccc1Oc1c(Cl)cccc1-n1c(OC)cc(C)c1O 587941490 PIEVOGSBVVCCJF-UHFFFAOYSA-N 359.809 4.954 0 1 FJAF c1ccc(C[C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587956325 XAHSYHKHINDDEZ-GOSISDBHSA-N 356.425 4.709 0 1 FJAF C[C@@H](C[C@@]1(C)NCCc2c(Cl)cc(Cl)cc21)NC(=O)OC(C)(C)C 963126968 YJAZBQUHPRGILK-BBATYDOGSA-N 373.324 4.658 0 1 FJAF Nc1oc2c(Br)nccc2c1Nc1ccc(F)c(Cl)c1 1857653305 WOECEAWHUUOCDM-UHFFFAOYSA-N 356.582 4.709 0 1 FJAF CC(=O)OC=C1C=CC=C(C)C[C@H]2OC(=O)[C@H]1[C@@H]2[C@H](C)CCC=C(C)C 2356633190 PUSGGIDEGQFCFM-QYRPDUKASA-N 358.478 4.880 0 1 FJAF CC[C@H](CO)Oc1cc(NCc2ccccc2C)c2ncn(C(C)C)c2c1 61948965 YHCLDYVECSQHPG-GOSISDBHSA-N 367.493 4.687 0 3 FJAF Nc1sc(-c2ccccc2)cc1C(=O)NCCc1ccc(Cl)cc1 103044479 QUAIKEJUASFGRK-UHFFFAOYSA-N 356.878 4.623 0 3 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc([S@@](C)=O)cc21 3993653 KUDFJDYXEMEWNB-LBDOCTSOSA-N 368.329 4.917 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)C[C@@H](OC(=O)CC(=O)O)C[C@]21C 13302865 GGTKOGAGTWFKDW-LYHRCORUSA-N 372.505 4.837 0 1 FJAF biogenic COc1ccc2scc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)c2c1 40847660 RXOWXRMGEMIYQJ-NSIKDUERSA-N 355.440 4.944 0 1 FJAF O=C(O)c1ccc(C2=NN(c3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 58541192 QVBALTUFBKAWIY-OAQYLSRUSA-N 360.388 4.880 0 1 FJAF CCS(=O)(=O)c1ccc2oc(NC3CCC(C(C)(C)C)CC3)nc2c1 73313160 IZPDQNLWHCJYOW-UHFFFAOYSA-N 364.511 4.638 0 1 FJAF CCCc1[nH]c(Cc2cc(OC)c(OC)c(OC)c2)nc1-c1ccccc1 95581009 SAERFGGEBCVEBT-UHFFFAOYSA-N 366.461 4.646 0 1 FJAF FC(F)(F)c1ccc(Cn2c(CN3CCCC3)nc3ccccc32)cc1 96285118 LFVMOHJIGYWNQP-UHFFFAOYSA-N 359.395 4.699 0 1 FJAF Brc1ccccc1Cn1ccc2nc(-c3ccccc3)nc-2c1 100065430 USAPMPZUMOIPTN-UHFFFAOYSA-N 364.246 4.861 0 1 FJAF O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1 101565325 XWVBOPKUSVZZPJ-OKILXGFUSA-N 350.393 4.794 0 1 FJAF COc1cccc2c1CC[C@]1(CCCCN1CCc1ccccc1C)C2=O 140521757 OBYHRYZKICLGEU-XMMPIXPASA-N 363.501 4.600 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@@]34CCC[C@@H]3[C@H]3CC[C@H]4C3)nc12 586882723 AMMIUTJXUSCKPY-UASCKYALSA-N 366.690 4.842 0 1 FJAF Cc1cc2[nH]c(-c3oc4c(c3C)[C@@H](O)CCC4)nc2cc1Br 586905701 ZFXVTRNUWNBIQI-ZDUSSCGKSA-N 361.239 4.572 0 1 FJAF O=C1O/C(=C/c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586905739 AGZWXMNSILLXTK-NTUHNPAUSA-N 364.710 4.904 0 1 FJAF Clc1cccc(COc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)c1 587072335 YUIHUAJHGUYIFJ-UHFFFAOYSA-N 371.227 4.857 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 587080300 ORGWBNKMDPGXLX-AWEZNQCLSA-N 367.884 4.633 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3ncoc3CCC(F)(F)F)nc2c1 587091994 KNCFQPSVWJZTNL-UHFFFAOYSA-N 374.160 4.784 0 1 FJAF CC(C)(C)OC(=O)NCCc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587103010 CLNLULIGMLVXFH-UHFFFAOYSA-N 374.440 4.513 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2cnc3ccccc3c2[nH]1)C(C)(C)C 587204166 IZZCMPKUWJAGBA-MRXNPFEDSA-N 368.481 4.593 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CCC[C@@H]3[C@@H]1CCOC1 587209490 PYQMCDDILREHEF-HUUCEWRRSA-N 355.437 4.903 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccsc32)[C@@H]1c1ccc(F)cc1 587370951 CVFOFDKOFQYSDP-NQIIRXRSSA-N 366.413 4.793 0 1 FJAF CC[C@]1(Cc2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587375703 FMXRXAQJDFUJNA-IBGZPJMESA-N 374.278 4.696 0 1 FJAF COc1ccc([C@@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 587426164 LZUZXFFWKCOXKO-OPAMFIHVSA-N 370.420 4.532 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)nn(C(C)C)c1C)CC2=O 587479029 XSYCJGSARGZUIX-NRFANRHFSA-N 356.466 4.620 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(C(C)C)CC2=O 587483080 UQSCOKCNYPXDSP-QFIPXVFZSA-N 354.446 4.870 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1cccnc1)CC2=O 587488053 GTKYCQIFVCMYGP-HSZRJFAPSA-N 359.425 4.649 0 1 FJAF Cc1nc(Br)ccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495631 FGJAVSNICYBGGI-QGZVFWFLSA-N 372.262 4.738 0 1 FJAF C[C@@]1(c2cc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591771 WXDQQCQFLLWNSV-REWPJTCUSA-N 371.392 4.751 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615036 VDQDDUUKKBVAHC-FXAWDEMLSA-N 352.411 4.639 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2CCC(F)(F)CC2)N1 587715352 CHDDJKXEOHBJJN-VFZGTOFNSA-N 362.233 4.989 0 1 FJAF CSc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587841532 BKGSIITXCFADBI-BTDLBPIBSA-N 366.299 4.934 0 1 FJAF NC(=S)c1cccc(-c2cn(C3CCCCC3)c3cc(CO)ccc23)c1 1857614110 QIEDWAZBNXUYSM-UHFFFAOYSA-N 364.514 4.940 0 1 FJAF CC1=C[C@H](CNCc2ccc(F)cc2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356300644 KUXFBARQZQRLPZ-SBHAEUEKSA-N 371.500 4.704 0 1 FJAF CC[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)[C@@H](N)C[C@@]4(C)[C@H]3CC[C@@]12C 5984890 ZSSPHCDGLYDLSV-QAKWWWIMSA-N 359.554 4.844 0 1 FJAF Oc1ccc2c(-c3ccc4c(Br)c(O)ccc4c3)noc2c1 13583574 WGDPWZLLOYPPLQ-UHFFFAOYSA-N 356.175 4.822 0 1 FJAF CO[C@]1(c2cc(O)ccc2O)C=C(CC/C=C(\C)CCC=C(C)C)C(=O)O1 15217571 FCRKCTMVNYZRSA-KYIYGJGQSA-N 372.461 4.853 0 1 FJAF CN(CC[C@H](Oc1ccc(C(C)(C)C)cc1)c1ccccc1)CC(=O)O 26159560 ROJQXATZWQVTSU-FQEVSTJZSA-N 355.478 4.511 0 1 FJAF CNCCC[C@@H]1Cc2ccccc2N(c2ccc(C(F)(F)F)cc2)C1=O 28528518 GTKJFGPZQFGMLW-OAHLLOKOSA-N 362.395 4.542 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1ccccc1Cn1ccc2cnccc21 28572077 XCVVKLXLFZTEAQ-UHFFFAOYSA-N 361.832 4.990 0 1 FJAF Clc1ccc(-c2n[nH]cc2-c2ccnc(NC3CCCCC3)n2)cc1 40938530 SBOKOJHOEHDGDX-UHFFFAOYSA-N 353.857 4.932 0 1 FJAF CN1CCC(c2n[nH]c(-c3cccc(Cl)c3)c2-c2ccncc2)CC1 49087836 RPEOVNFMEZECTP-UHFFFAOYSA-N 352.869 4.601 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179298 OYNLOQDFDJMADC-INIZCTEOSA-N 365.525 4.991 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2ccccc2c1 95585281 RGUNUECSTMHJBW-LJQANCHMSA-N 365.889 4.888 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152318 VSHUCQXNUSYTML-IAGOWNOFSA-N 356.491 4.517 0 1 FJAF COc1ccnc(Nc2ccc(Cl)c(OCc3cccc(F)c3)c2)n1 103248608 YRIRHZBNIADGIJ-UHFFFAOYSA-N 359.788 4.600 0 1 FJAF CN(Cc1ccccc1)C(=O)c1nc(-c2ccccc2F)c2ccccc2n1 169347410 OEYYBYQGQCMDMS-UHFFFAOYSA-N 371.415 4.708 0 1 FJAF CCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)[C@H]1C(=O)CCCC1=N2 169686644 VVCRBEHYJDMBTK-CVEARBPZSA-N 373.499 4.882 0 1 FJAF CN(C)CCOc1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896905 UJRAGMOVFHEBIO-UHFFFAOYSA-N 373.456 4.543 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587012677 RJNXIISEDYUHBB-UHFFFAOYSA-N 361.474 4.704 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(OC(F)(F)F)c3[nH]2)s1 587014896 SVZWWXWQAHZINY-VIFPVBQESA-N 371.384 4.991 0 1 FJAF Cc1c(Br)cnc2[nH]c(CSCc3ccsc3)nc12 587024440 ABQUVXZQFNTFHH-UHFFFAOYSA-N 354.298 4.524 0 1 FJAF Cc1c(Cl)ccc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587061585 VVOCPXDQYWKELB-UHFFFAOYSA-N 370.243 4.715 0 1 FJAF O=C(CCCc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Cl)cn1 587081867 HQYQXXCSNVIPGE-UHFFFAOYSA-N 352.196 4.609 0 1 FJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587087970 HEHARXCYAYHZOY-HNNXBMFYSA-N 369.415 4.892 0 1 FJAF c1ccc(CN2CCC[C@]23CCc2nc4cccc5c4c(c2C3)CC5)cc1 587211404 DRACMRWFVSNMLC-RUZDIDTESA-N 354.497 4.857 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(O2)c2ccccc2N(C)c2ccccc21 587399673 MSLLGZIWDMXDDM-UHFFFAOYSA-N 356.425 4.568 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CC3(CCCCC3)Oc3ccccc31)O2 587407778 JBKLZSBGEZJVQF-HSZRJFAPSA-N 363.457 4.923 0 1 FJAF CCc1sc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1Br 587411835 WOKOHJZCHHEANL-CYBMUJFWSA-N 366.280 4.670 0 1 FJAF O=C1C[C@@H](c2cnc(-c3ccccc3F)nc2)Oc2c1ccc1c2CCCC1 587501917 GSGKWSYMENQFEA-NRFANRHFSA-N 374.415 4.868 0 1 FJAF CCc1[nH]c2c(C(=O)O)cccc2c1C(=O)c1ccc(C(F)(F)F)cc1 587638244 UNCXWXJRBDNWFX-UHFFFAOYSA-N 361.319 4.678 0 1 FJAF Cc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722963 UUXHWZBNVXRLTR-XYZCENFISA-N 352.222 4.659 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@@H](C)[C@@H]1C 587824531 XGVGSSDMEIMYIP-NDTJYLHMSA-N 352.291 4.940 0 1 FJAF COc1ccc(CCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1OC 587926389 YLVUNEFXGAQCFX-UHFFFAOYSA-N 366.795 4.687 0 1 FJAF COC(=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587956332 XGIBJYQQBUTVAR-IBGZPJMESA-N 356.425 4.724 0 1 FJAF Clc1ccc2c(n1)NCC[C@]21NCCc2cccc(-c3ccccc3)c21 962666258 LPGVFLGWRZONKW-QFIPXVFZSA-N 361.876 4.607 0 1 FJAF CC(C)C[C@@H](C)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922220 ITRMKOMSBYAJDQ-OREJSRFESA-N 369.461 4.507 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCN(C(=O)OC(C)(C)C)C2 963236921 YHCAWBDCRUUWKE-VGSWGCGISA-N 358.526 4.569 0 1 FJAF COc1cc(O)c(-c2cc(-c3ccccc3)nn2-c2ccccc2)c(OC)c1 1857757210 JSIAIGJSABWLPL-UHFFFAOYSA-N 372.424 4.929 0 1 FJAF C[C@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356616520 ZROQUMPZTDXHBC-UKLYKMQYSA-N 374.613 4.710 0 1 FJAF O=C(O)CCCSc1nc2cccnc2n1-c1cccc2ccccc12 2382250931 ZVJZVHCQIICERS-UHFFFAOYSA-N 363.442 4.531 0 1 FJAF COc1ccc(-c2csc([C@](O)(c3ccccc3)C(F)(F)F)n2)cc1 61930785 MSHLXGNYMMOLLS-QGZVFWFLSA-N 365.376 4.617 0 3 FJAF COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccc(C)cc3)n2c1 95600995 RGHDZLFIJHGEBT-UHFFFAOYSA-N 374.415 4.826 0 3 FJAF Cc1cc(C)c(-c2noc(-c3ccc(Cl)cc3)c2C2=NCCN2)c(C)c1 1629442 AZSGLIGOSOPVHC-UHFFFAOYSA-N 365.864 4.937 0 1 FJAF Cc1cccc(Cl)c1Nc1nc2c(ccc3c(C)c(C)[nH]c(=O)c32)[nH]1 13475200 PCFNRPCEFLIZDY-UHFFFAOYSA-N 352.825 4.727 0 1 FJAF Cc1cccc(C)c1NC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 13533909 CWNFHVAUAZNXGK-UHFFFAOYSA-N 367.474 4.760 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[C@H]1N(CC)CC 28237191 PRAPITNKKQIFOR-IAGOWNOFSA-N 357.325 4.999 0 1 FJAF CC(=O)O[C@@H]1CC2(N(C)C)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 38330905 TWABYZAIMLYBQR-WZLDUSJXSA-N 363.501 4.600 0 1 FJAF Cc1cc(-c2cccs2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 40828489 MEJCTTDSTVUJGB-AATRIKPKSA-N 359.458 4.777 0 1 FJAF Cc1cccc(Cl)c1CNc1n[nH]c2c1Cc1ccc(N(C)C)cc1-2 45287493 IVLPSCXTSWEOQX-UHFFFAOYSA-N 352.869 4.621 0 1 FJAF Cc1cccc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2Cl)c1 103194968 WGUKDNDGHSMYFM-IBGZPJMESA-N 354.862 4.975 0 1 FJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccc(OC)cc1 103232670 YCOLJFHHEARPIK-OAQYLSRUSA-N 360.409 4.820 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@H]1CCCN2CCCC[C@@H]12 169290757 LAGAODHREHSTBR-CJNGLKHVSA-N 356.388 4.518 0 1 FJAF Cc1ccccc1OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169316250 LNDIIWNPPXKDSX-YOUFYPILSA-N 369.892 4.820 0 1 FJAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@@H](C(=O)SCC)[C@@H]1CC 169721243 JYPJHRNDZDLFTD-RDJZCZTQSA-N 373.518 4.748 0 1 FJAF S=C(Nc1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 299830395 WNXNJWKZYPSLCX-FQEVSTJZSA-N 372.497 4.833 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3c(C)nc(C)cc3[nH]2)c(C)c1 586966074 CQTJNDQOILKCHX-UHFFFAOYSA-N 363.490 4.670 0 1 FJAF Nc1cccc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1C(=O)O 587249151 CRIHNLQGABZPRA-UHFFFAOYSA-N 361.426 4.662 0 1 FJAF CC(C)(C)OC(=O)n1cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511249 FPQNCRPKAKGQCR-LJQANCHMSA-N 367.445 4.857 0 1 FJAF COCc1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587526496 UGCBUDJDAMYSOM-QHCPKHFHSA-N 366.457 4.601 0 1 FJAF CC[C@@H]1CC[C@H](C)C[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600477 BCIXBSLRBZJFDK-YJHYTUISSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(F)c2)N1 587733025 PNUMFMPUTJNMEL-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF CC[C@@H](C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1 653737522 UTGGRCANPVTWAT-OAHLLOKOSA-N 368.525 4.780 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1ccc(OC)c(C(C)C)c1)N(C)[C@H](C)C2 962636096 XWVXBHLHUANMHX-CMJOXMDJSA-N 369.505 4.802 0 1 FJAF CCOC(=O)c1cc2ccccc2n1Cc1ccc(Br)cc1 1857547390 DUDCTVXRDDBISM-UHFFFAOYSA-N 358.235 4.629 0 1 FJAF COc1cc(-c2nc3cc(C)c(C)cc3[nH]2)cc(OC)c1Br 1857642478 MHKPDKHNDLOGFV-UHFFFAOYSA-N 361.239 4.626 0 1 FJAF CC=Cc1ccc(O[C@H](C)[C@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 2356451977 YRLPIFOGCBUSPJ-SZNDQCEHSA-N 358.434 4.598 0 1 FJAF c1ccc(-c2cc(Nc3nc(-c4ccncc4)nc4ccccc34)n[nH]2)cc1 205358753 OMNOGBPVYFVKRM-UHFFFAOYSA-N 364.412 4.826 0 3 FJAF CN1C2=C[C@]3(O[C@@H]2C(C)(C)c2ccccc21)N(C)c1ccccc1C3(C)C 1588401 IKTUDKBXMZIAIC-XUZZJYLKSA-N 360.501 4.821 0 1 FJAF biogenic COc1cccc2c(C(=O)C3C(C)(C)C3(C)C)cn(CC3CCOCC3)c12 14975789 JKHZPISEYADUGI-UHFFFAOYSA-N 369.505 4.941 0 1 FJAF NN(Cc1ccccc1)c1nnc(-c2ccccc2-c2ccccc2)s1 26378784 JNFWMJVFKJHHFZ-UHFFFAOYSA-N 358.470 4.752 0 1 FJAF COc1ccc(CCC(=O)N2CCS[C@@H]2c2ccc(C)c(C)c2)cc1 38149963 OXUFOBBLRPQGQJ-OAQYLSRUSA-N 355.503 4.519 0 1 FJAF O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1 45286822 SMIOIVPAQCHIDD-HSZRJFAPSA-N 360.453 4.937 0 1 FJAF CCC(NC(=O)Oc1c(C)ccc(C)c1C)(C(F)(F)F)C(F)(F)F 68573279 PCARZGLFOSTKBS-UHFFFAOYSA-N 357.294 4.974 0 1 FJAF biogenic CCCOCCCNc1ncc(-c2ncc(C)o2)c(-c2ccccc2C)n1 82177078 UXQXMLHNWRIVCW-UHFFFAOYSA-N 366.465 4.644 0 1 FJAF FC(F)(F)c1ccc(Sc2ccc3nnc(-c4ccccc4)n3n2)cc1 95602245 IBFYCIOONMXXLC-UHFFFAOYSA-N 372.375 4.961 0 1 FJAF CCc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113657768 LGWBCYYZSZQYET-UHFFFAOYSA-N 368.484 4.964 0 1 FJAF Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(Cc5ccccc5)n4)cc23)cc1 164825098 MAHBYMMDAIGJIJ-UHFFFAOYSA-N 369.403 4.745 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169370080 LKCRMGJZGXVDFH-JXOVLVCBSA-N 357.538 4.515 0 1 FJAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1 204748847 PXBRMSLPAQOCCZ-DYVFJYSZSA-N 350.397 4.779 0 1 FJAF c1ccc(COc2ccc3nc([C@@H]4COc5ccccc5O4)[nH]c3c2)cc1 586918959 VESYEFKADSNTPU-NRFANRHFSA-N 358.397 4.654 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2ccc(C)nc2[nH]1 587035165 PHWXFKYSIPTLSN-AWEZNQCLSA-N 364.474 4.752 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(N)cc1F 587135741 CHALMSGJTOKKSZ-UHFFFAOYSA-N 369.227 4.830 0 1 FJAF CCc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587184449 UAOFGCJVOWPAPW-VQHVLOKHSA-N 374.225 4.900 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1ccccc1C(=O)O)O2 587402956 BNCOCDRWCKBNCD-NRFANRHFSA-N 373.408 4.649 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@@H]1O[C@@H]1c1ccccc1)O2 587412170 MHTJGFDGBWUKTN-JRFVFWCSSA-N 371.436 4.578 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cccs3)nc1)CC2=O 587493363 GJYGMZNEPFGVNB-QGZVFWFLSA-N 366.442 4.570 0 1 FJAF O=C1C[C@@H](c2c[nH]nc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587536170 SVNPQMSLMOUYSV-SFHVURJKSA-N 350.443 4.724 0 1 FJAF Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587589148 NUECNPQXJFVIEX-NFBKMPQASA-N 371.392 4.885 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Cl)N1 587692481 HGEYOYBOYLMUOU-VPTHRUTESA-N 370.649 4.571 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587720925 UFGAJYMTTPISBP-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(F)cc2F)N1 587721677 QCPDDJFKOZILGS-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF CCOc1ccccc1OCc1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587780200 NRHASKZIIMZSSP-UHFFFAOYSA-N 372.424 4.772 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3c(c2)CCC3)N1 587815409 MGSKWZNPTMMCRS-MPBGBICISA-N 374.297 4.875 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4cc(C(C)=O)ccc4[nH]3)cc2)c1 587930465 CHDSKOOUFLOTCX-UHFFFAOYSA-N 370.408 4.672 0 1 FJAF CC(C)(CC(=O)O)Cc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587955154 GLJBORJVSWQBCG-UHFFFAOYSA-N 365.458 4.883 0 1 FJAF CCCc1ccc([C@@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961329854 ZXLMLSJCIFYPBC-HSZRJFAPSA-N 353.506 4.632 0 1 FJAF O=C(CC(=O)c1ccccc1)C[C@](O)(C=Cc1ccccc1)c1ccccc1 1857623130 MUWXSVQCTMZWEZ-RUZDIDTESA-N 370.448 4.820 0 1 FJAF CC(=CCCc1ccoc1)CC(=O)C[C@]1(C)CC[C@H]([C@@]2(C)CCC(=O)O2)O1 2356450078 HSIIPIZSJWLXTE-BAGYTPMASA-N 374.477 4.541 0 1 FJAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@@H](C)[C@]2(C)CCC(C)=CCOC=O 2356489646 DZICGSYWAZOKHD-QTPAZIJBSA-N 362.510 4.838 0 1 FJAF O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccc3ccccc3c21 14968878 NNJOOWYJGILHCE-UHFFFAOYSA-N 368.388 4.713 0 1 FJAF Cc1sc(-n2cccc2CNCc2ccc(Cl)cc2)c(C(=O)O)c1C 15782959 RFTCJUOIUPNMIT-UHFFFAOYSA-N 374.893 4.797 0 1 FJAF O=[S@](CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 28353364 GDMQOSJIGVIUJW-VWLOTQADSA-N 354.475 4.647 0 1 FJAF COc1ccc2c(c1)CNc1c(Nc3ccc(Cl)cc3)ncnc1O2 28572422 HZBPYMDEPLTVAO-UHFFFAOYSA-N 354.797 4.600 0 1 FJAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@H]1CC2CCN1CC2 29545831 CHYXCKLGWUYORO-LJQANCHMSA-N 362.300 4.714 0 1 FJAF C/C=C(\NNc1c(Cl)c(Cl)nc(C(=O)O)c1Cl)c1ccccc1 70462935 KWXCRWZWBFVDOG-MBXJOHMKSA-N 372.639 4.718 0 1 FJAF CC(C)Oc1ccc([C@@](O)(c2cccnc2)c2ccc(Cl)cc2F)cc1 72101748 ZUWWRVWVHVVPND-OAQYLSRUSA-N 371.839 4.946 0 1 FJAF COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccc(C(F)(F)F)cc12 72111289 QVIPPFJKYIVIAM-UHFFFAOYSA-N 361.319 4.716 0 1 FJAF CC1CCC(C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)CC1 201101732 SOBPRKYWNXHBRR-QFHNSRLUSA-N 355.522 4.659 0 1 FJAF Brc1ccc(-c2ccc(/C=C\c3nc4cnncc4[nH]3)o2)cc1 586998945 STJSFQIMNYSPSF-VURMDHGXSA-N 367.206 4.546 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N 587104381 QSLFNBQPSIKGIZ-UHFFFAOYSA-N 352.393 4.704 0 1 FJAF O=C1c2ccc(O)cc2OC2(CC3(CCCC3)C2)[C@@H]1c1ccc(F)cc1 587355353 ULPLVGZAZWDMIR-LJQANCHMSA-N 352.405 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@@H](C)OC)cc1)CC2=O 587479573 ISFVGRXXPKZJTH-JLCFBVMHSA-N 354.446 4.933 0 1 FJAF Cc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)s1 587530078 CPTCVLOCXIHXKJ-OAQYLSRUSA-N 370.470 4.661 0 1 FJAF CCSc1ccc(-c2ccc3c(O)nc(O)nc3n2)c(Cl)c1Cl 587564151 ZUSOZORULUZGIA-UHFFFAOYSA-N 368.245 4.522 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)cc(Cl)c1 587574383 ZHJVVPZUZDUTPH-XLIONFOSSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2[C@H]2CCC[C@@H]21 587601384 DAGUIFXYYOSUSH-ZZBSXBARSA-N 362.425 4.549 0 1 FJAF COC1([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCCCC1 587807437 CKRMOAJCWJQVEG-BZNIZROVSA-N 356.279 4.513 0 1 FJAF Cc1cc(-n2c(C)cc3c2CC(C)(C)CC3=O)nn1Cc1ccccc1F 587945842 QZIFBDCDJMHDCE-UHFFFAOYSA-N 365.452 4.633 0 1 FJAF O=C1c2ccccc2C(=O)N1Nc1nc(-c2ccc3ccccc3c2)cs1 653702324 YIGCJGOPQPVVRJ-UHFFFAOYSA-N 371.421 4.586 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc(C(C)=O)cc(C(C)=O)c2)N1 962958852 VBNGLSAHPBXHRA-YADARESESA-N 374.484 4.761 0 1 FJAF CC(=O)Nc1cc(-c2ccccc2)cn2c(-c3cccc(C(C)=O)c3)cnc12 61907653 HFJFFERVURXJEU-UHFFFAOYSA-N 369.424 4.829 0 3 FJAF Cc1cc(F)ccc1Nc1c(C(=O)C(C)C)cnc2c(CO)cccc12 603456 XALUAVPXNLKMJN-UHFFFAOYSA-N 352.409 4.757 0 1 FJAF Cc1ccc(CN2[C@@H]3CCC[C@@H]2CC(NC(=O)c2ccc(C)cc2)C3)cc1 1377637 QJBJGFACSBPWFU-DHIUTWEWSA-N 362.517 4.619 0 1 FJAF Cc1cccc2c([C@@H](O)[C@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 27523642 PAZWBPKSOQPBME-DENIHFKCSA-N 350.437 4.525 0 1 FJAF Cc1ccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3cc(C)ccc32)cc1 28826447 LARPDBUKXSJEJJ-RVEICJNFSA-N 372.512 4.734 0 1 FJAF CC(C)c1csc(-c2nnc3n2N[C@@H](c2ccccc2Cl)S3)n1 64437170 ORVIHLIWJCUEAW-CYBMUJFWSA-N 363.899 4.526 0 1 FJAF CCC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100809425 JVJYOCYVDQOIIM-BLMXMEMMSA-N 350.289 4.839 0 1 FJAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@@H]1C 101948878 UKJSXJBJJJWIHD-LSKLOWJMSA-N 368.458 4.629 0 1 FJAF CO[C@H]1OC[C@@]23CC[C@@H](C)[C@](C)(CC[C@H](C)CC(=O)O)[C@H]2CCC=C13 238767088 LRWCMEOTIOLGOG-IZSOANEVSA-N 350.499 4.639 0 1 FJAF O=C1c2ccccc2-c2cc(CN3CCCCCC3)nc3ccc(O)c1c23 586987514 CEUCBOVRVPAISE-UHFFFAOYSA-N 358.441 4.528 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCN4)nc3ccc(O)c1c23 586989493 LFTDYKBSNANJDH-UHFFFAOYSA-N 364.404 4.787 0 1 FJAF FC(F)(F)c1nn(Cc2nc3ccc4c(c3[nH]2)CCCC4)c2c1CCCC2 587120270 VIOCQWXRSARXMB-UHFFFAOYSA-N 374.410 4.584 0 1 FJAF COc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cn1 587126615 ZYUDVEYUGDGROZ-DAXSKMNVSA-N 351.353 4.749 0 1 FJAF CNc1c(F)cccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587135484 CWNZITTUPNDLBB-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)nc12 587203353 MCLMHKMVUHJEHQ-UHFFFAOYSA-N 364.449 4.697 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)c(F)c1)O2 587380425 DXNNMWLISFPSOX-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN([C@H]3CCCC[C@@H]3C)CC1)CC2=O 587475382 NSQLAJFOKBKDLQ-LPHOPBHVSA-N 371.521 4.723 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccnn1-c1ccccc1C)CC2=O 587476340 OMMSSMKTVQDFKK-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF Cc1cc(Cl)cc2c(NC(=O)CCC(=O)O)c(-c3ccccc3F)[nH]c12 587624715 PTCCIJNWEVONJE-UHFFFAOYSA-N 374.799 4.739 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@](O)(c3nccn3C)C(F)(F)F)c2c1 587642974 XYLDUTVSTJAARU-ZMZPIMSZSA-N 365.399 4.522 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587717435 GAAUBPRPYRKQNC-NIVTXAMTSA-N 366.249 4.968 0 1 FJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587809619 RCSNLVPPBKOHQB-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF COc1ccc(C)cc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587810936 YLZDSHALKDJKLQ-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CS[C@@H](C(C)(C)C)C2)N1 587858563 RJCSIZVZULIRAZ-IGGJQXEISA-N 372.347 4.869 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587933809 VRZRJLUOEODEAK-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COc1ccc2nc(C)cc(OCC(=O)Nc3cccc4ccccc34)c2c1 653888058 QDAYIQIVXLBLMY-UHFFFAOYSA-N 372.424 4.723 0 1 FJAF COc1ccc2c(c1)[C@@H](c1cccc(-c3cccnc3O)c1)N(C(C)C)CC2 962095435 YREAMKIHVYVPRZ-HSZRJFAPSA-N 374.484 4.819 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2C12C=CN(C(=O)OC(C)(C)C)C=C2 963231944 BROFTQDFRMGFSC-QGZVFWFLSA-N 354.494 4.817 0 1 FJAF FC(F)(F)c1cc(N=c2cc[nH]cc2)c2cccc(C(F)(F)F)c2n1 1857540605 WQZSHPSNLYJVDC-UHFFFAOYSA-N 357.257 4.833 0 1 FJAF COC(=O)[C@]1(C)CCC=C2[C@@H]1CC[C@H](C)[C@@]2(C)CCC(C)=CCOC=O 2356489645 DZICGSYWAZOKHD-HVJHZFLKSA-N 362.510 4.838 0 1 FJAF COP(=O)(OC)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 169340711 PBKXKTPVLDNPRN-MRXNPFEDSA-N 354.726 4.682 0 3 FJAF CN(C)CC[C@@H](OC(=O)c1cn(C)c2ccccc12)c1ccc(Cl)cc1 13684982 CXDNKHGNUKSCRG-HXUWFJFHSA-N 370.880 4.682 0 1 FJAF CN1C2=C[C@]3(O[C@H]2C(C)(C)c2ccccc21)N(C)c1ccccc1C3(C)C 17142147 IKTUDKBXMZIAIC-ZJSXRUAMSA-N 360.501 4.821 0 1 FJAF biogenic O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)N2c3ccccc3Cc3cccc1c32 26169455 KZZQXZUVFBOUBG-IBGZPJMESA-N 374.827 4.645 0 1 FJAF CCC[C@@H](NC(=O)Cc1ccccc1)c1ccccc1N1CCCCC1 27564076 VYPDKMFMSULMMT-OAQYLSRUSA-N 350.506 4.877 0 1 FJAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C)[nH]c1=S 28346593 VTGGMDWMKREFKA-GFCCVEGCSA-N 358.294 4.520 0 1 FJAF O=C(O)c1ccccc1Nc1ccc2nc(N3CCCCC3)sc2c1 58582754 WYFJKNLMVMISLA-UHFFFAOYSA-N 353.447 4.728 0 1 FJAF O=C(Nc1ccc(F)c(F)c1)Nc1cc(C2CC2)nn1-c1ccccc1 96273840 WYIBZKHKGMRACH-UHFFFAOYSA-N 354.360 4.672 0 1 FJAF O=C(n1cc(-c2ocnc2Cl)c2ccccc21)C(Cl)(Cl)Cl 103215039 PMCXXZUWALVGGK-UHFFFAOYSA-N 364.015 4.960 0 1 FJAF COc1ccc(F)c(-c2cc(C)c(Nc3ccc(C)cc3C(=O)O)cn2)c1 113898519 JPHAXEBDDCHOLV-UHFFFAOYSA-N 366.392 4.955 0 1 FJAF Cc1cccc(C)c1C(=O)N[C@@H](c1ccccc1)C12CCC(CC1)N2C1CC1 141900320 WFAOLWPJUBLNAA-LUQTXGNESA-N 374.528 4.934 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)ncc2[nH]1 586995966 MKVTXROATJGNGE-UHFFFAOYSA-N 366.646 4.688 0 1 FJAF Fc1cc(Br)cc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587083882 AVPGLOCADAESFE-UHFFFAOYSA-N 366.621 4.593 0 1 FJAF CCc1c(-c2c[nH]c(C(=O)O)c2)nc2cccc3c2c1-c1ccccc1C3=O 587106034 KTKGFGBXLGDCLE-UHFFFAOYSA-N 368.392 4.702 0 1 FJAF O=C(O)c1cc(F)cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c12 587145259 JSNKGGSAVFUKAS-UHFFFAOYSA-N 364.351 4.797 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1cccc(C(F)(F)F)c1)O2 587382848 TUXNELOQFFEPNJ-LJQANCHMSA-N 363.379 4.953 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)nc(Cl)c1)CC2=O 587459593 DMUUOHRNTRBOLP-CQSZACIVSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccccc1F)(C1CC1)CC2=O 587465751 GMVNWLDICVBLPY-QFIPXVFZSA-N 354.421 4.841 0 1 FJAF Cc1ccc([C@@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530373 TYNKNELRSZSCCM-HSZRJFAPSA-N 364.441 4.599 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1 587553402 HCPVXCNEJIQTJA-RXVVDRJESA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)F 587558891 XYADKLSGJCRDLQ-UWJYYQICSA-N 368.335 4.514 0 1 FJAF C[C@]1(C2CCC(F)(F)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559201 ZNXUYBVRVWYSQM-FXAWDEMLSA-N 374.383 4.938 0 1 FJAF CC(C)c1nc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587610776 HDQBMLGWNHTWHN-QFBILLFUSA-N 367.426 4.675 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]3CC[C@@H]2C3)N1 587819137 LJLAMZPFVKMURF-HWGYDIEMSA-N 352.291 4.774 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](/C=C/c2ccccc2O)N1 587832935 LHHVRXUZQNDDDU-GPZUXWMISA-N 362.242 4.583 0 1 FJAF COc1c(F)cccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772624260 FRAQUKFMRKLPDU-HNNXBMFYSA-N 357.406 4.564 0 1 FJAF CCC[C@@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccccc1 1857745422 MKXAMXPDWRVKHM-OXQOHEQNSA-N 363.505 4.974 0 1 FJAF Fc1cccc(-c2cc(-c3cnc4nc(C(F)(F)F)ccn34)ccn2)c1 28569777 UUEUFEHEKXFNOU-UHFFFAOYSA-N 358.298 4.616 0 1 FJAF CC/C(=C(\c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1 96271042 IZTUQONRDYAJIC-GYHWCHFESA-N 373.452 4.625 0 1 FJAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@H]2c3cc(F)cc(F)c3CC[C@@H]21 100620782 YSSSIHOXSMSHPD-UWJYYQICSA-N 366.411 4.558 0 1 FJAF C[C@H](CN1CC[C@]2(C)c3cccc(O)c3C[C@@H]1[C@@H]2C)OCc1ccccc1 100919926 CUHNXKIICYLWNY-UFRRYBOJSA-N 365.517 4.522 0 1 FJAF Clc1ccc([C@@H]2CNCc3cc(-c4cccnn4)ccc32)cc1Cl 114510531 NRTIHDQHAKWSTG-INIZCTEOSA-N 356.256 4.686 0 1 FJAF Oc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299820394 BEYZNUZWHJXHCM-UHFFFAOYSA-N 357.369 4.774 0 1 FJAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CCCCC1 299847642 KARKKBOPJCCXQK-WIYYLYMNSA-N 369.553 4.577 0 1 FJAF CCCCCOc1cc2nc(C3=COCC3)[nH]c2cc1Br 586913114 MRZBPUNONGIICZ-UHFFFAOYSA-N 351.244 4.656 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(O)c(F)cc1C3 586987165 AUFOLIAVVPAZGY-UHFFFAOYSA-N 369.351 4.568 0 1 FJAF N[C@H](Cc1nc2cc3ccccc3cc2[nH]1)c1ccc(Br)cc1 586998220 ZKXXYGKJLCMFAG-MRXNPFEDSA-N 366.262 4.721 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)cs2)o1 587016248 IKHIZMXFSPAARV-UHFFFAOYSA-N 365.393 4.580 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)cncc2[nH]1 587076114 JBOLOHZBBRNEBP-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3cc(Cl)cc(Br)c3[nH]1)O2 587173978 LJZANYNFHVJOAK-CYBMUJFWSA-N 367.605 4.794 0 1 FJAF Fc1cncc(Cl)c1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 587175939 KLBOBILBOGQZRY-UHFFFAOYSA-N 361.751 4.953 0 1 FJAF O=C(O)Cc1csc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587209512 QEMVJMWTKQEFKN-UHFFFAOYSA-N 371.417 4.802 0 1 FJAF N[C@@H](Cc1nc2cc(Cl)c(Cl)nc2[nH]1)c1cccc2ccccc12 587259064 PZIJEJOJDUQXFL-AWEZNQCLSA-N 357.244 4.660 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(Cc4ccccc4)cc1)[C@@H](C2)C3=O 587445532 KUVUQGPXWWCVEW-OFVILXPXSA-N 370.448 4.949 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nccc-3c1Cl)CC2=O 587458967 BXZCBQREIXDHML-INIZCTEOSA-N 356.809 4.533 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Cl)ccc3C1)CC2=O 587460196 GMSKOMXHCFDAGK-OAQYLSRUSA-N 356.849 4.891 0 1 FJAF CCCCCCN1CCC2(CC1)CC(=O)c1ccc(O)c(CCC)c1O2 587474335 FAVDVOPLOXTTJM-UHFFFAOYSA-N 359.510 4.725 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc3ncsc3c1)CC2=O 587495633 PMJSIXHJYDQPEW-HXUWFJFHSA-N 353.443 4.835 0 1 FJAF Cc1ccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc2c1 587528050 WKYYIEYWJFWDPS-OAQYLSRUSA-N 359.425 4.834 0 1 FJAF CC[C@H](c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604157 UQIVKXRFBILDFN-LQNXUBFPSA-N 360.409 4.916 0 1 FJAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587627400 UXVFABYNDVYPGY-HNNXBMFYSA-N 364.873 4.747 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587823855 WVGPXXQTNKCYPT-PIGZYNQJSA-N 364.258 4.534 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccs2)N1 587849576 AZMFQOOKPFBDFK-HWPZZCPQSA-N 354.288 4.642 0 1 FJAF Clc1cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2nc1Cl 587951344 SXBOSQPRMNYLSO-UHFFFAOYSA-N 352.265 4.750 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2[C@@H]1C[C@H]1c1ccc(Cl)cc1 963608650 LLQBLQQGQUBXGR-SLPPQORSSA-N 357.881 4.736 0 1 FJAF O=C1[C@@H]2C=CC=C[C@H]2[C@@H](c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1 1772645424 CSFKVIAKLNZNPY-MBOZVWFJSA-N 361.832 4.663 0 1 FJAF O=C(Nc1ccccc1)Nc1ccc(OC(=O)c2ccc(F)cc2)cc1 2382216469 TWIIARTVKXWPNJ-UHFFFAOYSA-N 350.349 4.689 0 1 FJAF Cc1occc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 36382605 ONVZMCUWBPPGDN-UHFFFAOYSA-N 359.385 4.539 0 3 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CCC(=O)[C@]21CCCO1 61944953 DWZIWOFNXKIPDG-MBJIHUMHSA-N 360.538 4.508 0 3 FJAF COc1ccccc1-c1onc(-c2ccccc2Cl)c1C(=O)NC(C)C 774850 OCTBDCVDPOCIKK-UHFFFAOYSA-N 370.836 4.809 0 1 FJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)c(F)c3)CC3(CC3)C2)cc1 3814740 LDHUBXLXUIFIHD-UHFFFAOYSA-N 360.425 4.853 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)C[C@@H]3O 6381598 DXLOSPHNYYRNBG-AWEZNQCLSA-N 370.445 4.524 0 1 FJAF C[C@@H](Cc1c[nH]c2cc(Cl)ccc12)NC[C@@H](O)c1cccc(Cl)c1 13488823 YBOUCZGJCOEWPA-HXPMCKFVSA-N 363.288 4.729 0 1 FJAF O=C(c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12)N1CCCC1 13765504 JXGWOCDIVNXAMU-UHFFFAOYSA-N 360.244 4.544 0 1 FJAF CC(=O)c1cccc(CSCc2c(C)nc3cccc(F)c3c2N)c1 13864127 XNRMFIZTXQOTGR-UHFFFAOYSA-N 354.450 4.901 0 1 FJAF c1ccc(-c2ccccc2Nc2nc(SCc3ccncc3)n[nH]2)cc1 14964331 SQILXNVEXGLMHS-UHFFFAOYSA-N 359.458 4.903 0 1 FJAF CC1(C)CCC(C)(C)c2c(NC(=O)c3ccc(C(=O)O)cc3)cccc21 26278787 VRMGJLQZWLIFPF-UHFFFAOYSA-N 351.446 4.986 0 1 FJAF CC(C)(C)c1ccc(OCc2ccccc2)c(/C=C2\SC(=O)NC2=O)c1 28368154 CXTQWMCZXWYXLI-PDGQHHTCSA-N 367.470 4.887 0 1 FJAF CCCCNC(=O)CN(Cc1ccccc1)Cc1ccc2ccccc2c1 45289648 NRCXBODCQPRICH-UHFFFAOYSA-N 360.501 4.758 0 1 FJAF CC(C)=CCOc1ccc([C@H]2C[C@H]2c2nnc3c4ccccc4cnn23)cc1 49126128 KBTQEIXHEKZRPX-NHCUHLMSSA-N 370.456 4.894 0 1 FJAF O=C1Nc2ccc(CNc3ccccn3)cc2[C@@H](c2ccc(Cl)cc2)N1 66260132 YYUJODJXSUGNDB-LJQANCHMSA-N 364.836 4.572 0 1 FJAF COc1cc(-n2c(-c3ccccc3)csc2=S)cc(OC)c1OC 103278326 WGWFNPKBACTWEN-UHFFFAOYSA-N 359.472 4.961 0 1 FJAF O[C@@H]1C[C@H](c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586900433 CBNMLFKWGFOZBW-IINYFYTJSA-N 368.742 4.684 0 1 FJAF Cc1ccc(CSCCc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 586970249 JPYRGPVWTVHQGL-UHFFFAOYSA-N 362.401 4.669 0 1 FJAF N[C@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl 587058664 YMNFRMZBRIPUKP-GFCCVEGCSA-N 357.738 4.617 0 1 FJAF Fc1cc2[nH]c(-c3ncccc3C(F)(F)F)nc2cc1Br 587107594 CMDQQCCUPYJJCM-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2c3c(ccc2[nH]1)CCCC3 587149644 OLLAZRAZENUMKU-UHFFFAOYSA-N 364.399 4.787 0 1 FJAF CCOC(=O)c1ccc2nc(-c3[nH]c4ccc(F)cc4c3Cl)[nH]c2c1 587175127 QJFDKXIDUAYFPS-UHFFFAOYSA-N 357.772 4.680 0 1 FJAF Clc1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1Cl 587232220 OYIVVGSXYOYLDT-UHFFFAOYSA-N 373.243 4.815 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O 587418594 ABXAAEKBATWPCK-GUYCJALGSA-N 366.360 4.796 0 1 FJAF COc1cc2c3c(c1)OC1(c4ccccc4Sc4ccccc41)[C@@H](C2)C3=O 587450041 DBJVGCKMWAHHLP-KRWDZBQOSA-N 372.445 4.851 0 1 FJAF O=C1C[C@@H](c2cnc(C(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587508220 OCFFQTFFSSKBHJ-ZDUSSCGKSA-N 353.365 4.747 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2F)N1 587721699 QEYWSCRDBDIQRV-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3[nH]2)N1 587806131 VAAJAIRIBUOGSJ-NSPYISDASA-N 373.269 4.867 0 1 FJAF CCC[C@@]1(Cc2ccco2)N[C@H](C)Cc2ccc(F)c(Br)c21 587828957 PHGBKBXKXBGTKW-XIKOKIGWSA-N 366.274 4.954 0 1 FJAF Cc1ccsc1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846626 VDDYCAGYMPTFQF-HWPZZCPQSA-N 354.288 4.756 0 1 FJAF CS[C@@H]1CCCC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587847358 WPEJMJGWNOMTBT-UHNFBRDESA-N 358.320 4.623 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2scnc2C2CC2)N1 587852363 FWNAYTJNYFQLNL-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF C=C(c1cccc(O)c1)n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862464 OUWMHLPEVCHHSS-UHFFFAOYSA-N 360.335 4.802 0 1 FJAF CC[C@H](NC(=O)c1coc(-c2ccc(OC)c(OC)c2)c1)c1ccccc1 621431079 LPGQUBQGZFTTGH-SFHVURJKSA-N 365.429 4.845 0 1 FJAF COc1ccc2c(c1OC)[C@](c1ccc(F)c(F)c1)(C1CC1)N(C)[C@H](C)C2 962568193 DNTPPHSZGRXLRP-MCMMXHMISA-N 373.443 4.512 0 1 FJAF COc1ccc2c(c1)[C@H](c1cc(CN3CCCCC3)cs1)N[C@@H]1CC[C@@H]21 962990318 BLGZHPFPFXMISR-CZTZKLFOSA-N 368.546 4.681 0 1 FJAF COc1cccc2cc3c(nc12)[C@@](C)(Cc1ccc(Cl)cc1)NCC3 963050287 XXRUKPLMFJTQOK-OAQYLSRUSA-N 352.865 4.500 0 1 FJAF CCN(c1ncc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1857596908 MKDRJRQHOAOUFQ-UHFFFAOYSA-N 367.493 4.990 0 1 FJAF C[C@@H](N=c1cc2c(cnn2C2CCCC2)c(O)[nH]1)c1ccc(Cl)cc1 1857641176 VBIAKLBUMDSAKO-GFCCVEGCSA-N 356.857 4.500 0 1 FJAF COc1ccc([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)cc1O 1857646761 MJUMFEKXAKKKNL-QVEMZERUSA-N 358.434 4.503 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@@]21C 2356598305 LVEQJEMTPJQUOC-XZKAFTKBSA-N 374.477 4.679 0 1 FJAF CC(=O)OCC1=C2C(=O)O[C@@H](CC(C)=CCC1)[C@H]2[C@H](C)CCC=C(C)C 2356721313 AGPUEDODDFNEDE-LSTHTHJFSA-N 360.494 4.900 0 1 FJAF CN(C)CCN=c1cc(/C=C/C2CCCCC2)[nH]c2ccc(Cl)cc12 2382240309 JBIYSKVFTMUDFR-CSKARUKUSA-N 357.929 4.877 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3c(ccc(O)c3Br)C[C@H]1[C@H]2C 13742460 DOUQADGXCVUBSK-WTANOLMUSA-N 364.327 4.645 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 15153139 GPTWTKZDAAYJRN-BNXIHZENSA-N 370.445 4.991 0 1 FJAF endogenous,in-man Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc([S@](C)=O)cc2)cc1 28710927 BIIFONWAUMRJCE-RUZDIDTESA-N 364.392 4.604 0 1 FJAF O=C(CCCN1[C@H]2CC[C@@H]1Cc1[nH]c3ccccc3c12)c1cccs1 36093043 GZLRSKHJKSOBOU-KDOFPFPSSA-N 350.487 4.954 0 1 FJAF CC(C)c1c(Sc2c(Cl)cccc2Cl)[nH]c2nc(N)nc(N)c12 40918062 SULGHFJHAIXEEH-UHFFFAOYSA-N 368.293 4.704 0 1 FJAF COc1cc(-c2[nH]ncc2-c2ccc3ccccc3c2)cc(OC)c1OC 52651347 GJCOKEWGMZOMLO-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF Clc1ccc(OCCN2[C@H]3CC[C@H]2c2c([nH]c4ccccc24)C3)cc1 100753841 YZLWLOOEGMGHIW-YWZLYKJASA-N 352.865 4.962 0 1 FJAF Cc1cc(C)n2nc(NC(=O)CC(C)(C)C)c(-c3ccc(F)c(C)c3)c2n1 167053256 XFNIBZMMXGVCKP-UHFFFAOYSA-N 368.456 4.835 0 1 FJAF COc1ccccc1C(=O)Nc1nc2ccc(C(F)(F)F)cc2s1 169307227 UZBQTMADUGEWOB-UHFFFAOYSA-N 352.337 4.576 0 1 FJAF COc1ccc(N2C(=O)C(C)(C)[C@H]2c2ccc(Br)cc2)cc1 169324227 KDDBNUPOOZXQHG-MRXNPFEDSA-N 360.251 4.572 0 1 FJAF Cc1oc2c(c1-c1nc3ccc(Br)c(F)c3[nH]1)C(=O)CCC2 586903255 HVCTUMMJZAXSFX-UHFFFAOYSA-N 363.186 4.552 0 1 FJAF Nc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F 586986969 RPODKUGPEABQMH-UHFFFAOYSA-N 356.356 4.540 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1cccc(F)c1 586988322 JOHZNJIHJMIOGX-INIZCTEOSA-N 367.379 4.979 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3[C@@H]1CCOC1 586992054 SFCLRQBNNKXFIS-KGLIPLIRSA-N 371.436 4.608 0 1 FJAF Cc1c(Cl)ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080917 VKBTWTFFHIUDSL-AWEZNQCLSA-N 359.260 4.902 0 1 FJAF Cc1ccnc2[nH]c(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)nc12 587138449 JDQOSLCITQTGDD-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ccc(O)cc3[nH]2)c(F)c1 587145422 WFPMLNYTZFSRHB-UHFFFAOYSA-N 362.360 4.748 0 1 FJAF COc1cccc(-c2cc(Cn3cccn3)nc3c2oc2ccccc23)c1 587363876 PZCAUMPBKZEEKV-UHFFFAOYSA-N 355.397 4.901 0 1 FJAF COc1ccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444544 UXZQLPTZJDBTJT-YKSBVNFPSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3c(s1)CCCC3)CC2=O 587493263 CVPONBBSMASIEH-HXUWFJFHSA-N 357.475 4.561 0 1 FJAF CC(C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587707864 XNGJNSMPKUWOPG-ISVAXAHUSA-N 354.185 4.536 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccn3c2)N1 587773949 SREHFVVUXFSKKD-BUXKBTBVSA-N 373.269 4.639 0 1 FJAF CCC[C@]1([C@@H](C)C(=O)OCC)NCCc2cc(-c3ccccc3)ccc21 962675471 ZMMPUQDMFZJDKG-GAJHUEQPSA-N 351.490 4.694 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 962943273 GKBXEAOYKBCXGP-KDOFPFPSSA-N 372.390 4.927 0 1 FJAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(-c4ccc(O)nc4)cc23)c1 1857572781 UFDFNCXQIPQFMK-OAHLLOKOSA-N 370.456 4.609 0 1 FJAF O=C(S[C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1 3994818 LQXUNOUTYYEYRO-HXUWFJFHSA-N 362.450 4.923 0 1 FJAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)[C@H](c1ccccc1)C1CCCC1 13734050 UXGYHPCEXONQIZ-CNNODRBYSA-N 356.554 4.730 0 1 FJAF CCOC1(OCC)[C@@H]2c3ccccc3[C@@H]([n+]3ccccc32)C1(CC)CC 27517615 PTYZTAQVAYKDIW-NHCUHLMSSA-N 352.498 4.598 0 1 FJAF Clc1ccc(Nc2nc(NCCN3CCCC3)c3ccccc3n2)cc1 28770516 NRNIYSCWJRJJSM-UHFFFAOYSA-N 367.884 4.535 0 1 FJAF Cn1c(=O)c2c(c(-c3ccccc3)nn2-c2ccccc2)c2ccccc21 29464079 ZCTRNROQYZIWRV-UHFFFAOYSA-N 351.409 4.544 0 1 FJAF CC1(C)[C@H]2c3c(O)cc(O)c(C(=O)c4ccccc4)c3O[C@@]3(C)CC[C@@H]1[C@@H]23 34998471 CDDSLAQEAHDJRA-KKIPCARGSA-N 364.441 4.630 0 1 FJAF biogenic Nc1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 40566731 AVQYKSDFDIDOJS-UHFFFAOYSA-N 374.284 4.509 0 1 FJAF CNCCNCc1cccc(-c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)c1 45192414 FSVSHLBKJMRERY-UHFFFAOYSA-N 370.500 4.514 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)c2ccccc2)n1)c1ccccc1 142092073 XZVBULVCPDYHHC-KSFYIVLOSA-N 374.444 4.522 0 1 FJAF Nc1nc2cc3ccccc3c-2c(Nc2ccc(Br)cc2)[nH]1 169727972 YJLYXPXXLCMFGB-UHFFFAOYSA-N 353.223 4.756 0 1 FJAF COC(=O)Nc1nc2cc(Oc3cccc(C(F)(F)F)c3)ccc2[nH]1 299824082 HFKZBKPEGVVKKE-UHFFFAOYSA-N 351.284 4.552 0 1 FJAF CCCCNc1cc(Cl)cc2c(=O)cc(-c3cccc(OC)c3N)oc12 299825314 BWWNGBDUYZRDKZ-UHFFFAOYSA-N 372.852 4.916 0 1 FJAF Oc1cccc2c1OCC(c1nc3cc(Cl)c(C(F)(F)F)cc3[nH]1)=C2 586909453 ZECPSBCRYDLOJS-UHFFFAOYSA-N 366.726 4.874 0 1 FJAF C[C@H](SCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586963072 JNKBKFWJHRBZDO-QMMMGPOBSA-N 372.803 4.971 0 1 FJAF Clc1ccc(Br)nc1-c1nc2cnc3ccccc3c2[nH]1 587004961 GJGOGHOKYSIARU-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF C[C@@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)n1cc(Cl)cn1 587081804 GIOYQZLTMGYBOL-ZDUSSCGKSA-N 352.825 4.601 0 1 FJAF Cc1cc2nc(/C=C/c3cccc(I)c3)[nH]c2cc1C 587184716 UXVBXHXAAJJLSM-VOTSOKGWSA-N 374.225 4.955 0 1 FJAF COc1ccc2c(c1Br)-c1nc3cccc4c3c(c1CC2)CC4 587209234 KZSMBLPSVJYSAO-UHFFFAOYSA-N 366.258 4.870 0 1 FJAF CCOc1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587413932 UGCVJAURCUAFDS-OAQYLSRUSA-N 363.413 4.942 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCC(C)C)[C@@H](C2)C3=O 587417866 FMTBQDSRIHZJDR-HRAATJIYSA-N 372.848 4.872 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H]1C[C@@H]1c1ccc(OC)cc1)CC2=O 587481213 QBJPYCVMQYDSQA-SELNLUPBSA-N 366.457 4.881 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc3[C@@H]1C)CC2=O 587482169 SGGGCICIZMVPMR-PSLXWICFSA-N 366.457 4.807 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1F 587554779 FHKOFOPABVAKCR-YWZLYKJASA-N 372.298 4.512 0 1 FJAF CCc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587819596 VJXOLTUGWRNOGF-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2C[C@@H]2c2ccccc2)N1 587822116 IQZXMVJVJGDUDH-AGRPXIAWSA-N 360.270 4.967 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(Br)ncc2[nH]1 587952367 PPFKTBYKAZRFFO-SUNKGSAMSA-N 352.276 4.767 0 1 FJAF CC1(N)CCN(c2nc(-c3ccc(-c4ccc(O)cc4)cc3)cs2)CC1 1772627285 BOHDLRSKNADBOZ-UHFFFAOYSA-N 365.502 4.500 0 1 FJAF Clc1cc(Cl)cc(CNCCNc2nc3ccc(Cl)cc3[nH]2)c1 1772632296 ABMWBPCCLYGOMJ-UHFFFAOYSA-N 369.683 4.725 0 1 FJAF CC(C)=CCc1ccc(NC(=O)CCc2ccccc2)c(/C=C/C(=O)O)c1 1857577250 RYXNKZCNPPBILC-NTCAYCPXSA-N 363.457 4.864 0 1 FJAF C[C@]1(Cc2ccccc2Cl)C(=O)Nc2ccc(OC(F)(F)F)cc21 61898177 NMLBKIZCLFXZBU-MRXNPFEDSA-N 355.743 4.691 0 3 FJAF Cc1cccc(-c2cccn([C@H](CN3CCCC3)c3ccccc3)c2=O)c1 13436654 YIPXKVDHHLNWTL-HSZRJFAPSA-N 358.485 4.509 0 1 FJAF O=C(Oc1ccc(Cl)cc1)c1cnc([C@H]2COc3ccccc3O2)s1 13479520 DEZUIDHEZZZRGB-OAHLLOKOSA-N 373.817 4.528 0 1 FJAF C[C@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 22937973 NDIIKLHONTYYRL-ONTRVFCTSA-N 358.888 4.692 0 1 FJAF C=C=C[C@H]1C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26482039 MQSPPOHAJUFGCG-WJICWSMDSA-N 364.485 4.835 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1[C@@H]1C[C@H]2CC[C@@H]1C2 26650367 NUBAMRDDDMGSCF-NJNPRVFISA-N 369.468 4.712 0 1 FJAF COc1ccc(C2=C(c3ccc(SC)cc3)C[C@H]3CCCN3C2)cc1O 29398976 VROLFUCUPCCNAM-QGZVFWFLSA-N 367.514 4.902 0 1 FJAF FC(F)(F)c1ccccc1CNc1nccc(-c2c[nH]c3ncccc23)n1 63539730 XOJQJDHWKVZUAT-UHFFFAOYSA-N 369.350 4.651 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@H]1C(=O)O 86037221 SPGPUDJMXMJNCU-GBESFXJTSA-N 368.514 4.909 0 1 FJAF biogenic c1ccc2nc(COc3ccc4ncn(Cc5ccncc5)c4c3)ccc2c1 103245996 LBLWFPNDOVTIFN-UHFFFAOYSA-N 366.424 4.607 0 1 FJAF O=C(Oc1ccc2c3c(cccc13)C(=O)O2)c1cccc(C(F)(F)F)c1 103283962 GYORDKXQWOSWJZ-UHFFFAOYSA-N 358.271 4.610 0 1 FJAF CCOC(=O)c1sc(-c2ccncc2)nc1-c1ccc(F)cc1Cl 169338441 DCMSOGLVNBWRDC-UHFFFAOYSA-N 362.813 4.841 0 1 FJAF FC(F)(F)c1cc2nc(-c3cnc(Cc4ccccc4)s3)[nH]c2cn1 587022494 ZQQDGHIODJZSKT-UHFFFAOYSA-N 360.364 4.691 0 1 FJAF Cc1cnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587151672 SQFKAQCALKOAET-GOSISDBHSA-N 351.356 4.713 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@H](c2ccccc2C(F)(F)F)C1)CC4 587210371 QGKPMTSWSHLERP-INIZCTEOSA-N 367.370 4.999 0 1 FJAF CCC(=O)CC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587349578 CJZWFNNCIKVCIL-RBBKRZOGSA-N 370.420 4.798 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(SC(F)(F)F)c1)O2 587380783 AKQOTEHORFJPGG-OAHLLOKOSA-N 353.365 4.896 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4ccc(C)cc4C)c1)[C@@H](C2)C3=O 587431020 LMXQXGDRYGFQBM-FDDCHVKYSA-N 359.425 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(OC)c(-c4ccccc4)c1)[C@@H](C2)C3=O 587445413 YSCIEMLSMSCXOV-YADARESESA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1nc3ccc(Cl)cc3[nH]1)CC2=O 587458576 AEZSGIQUTAHMNR-HXUWFJFHSA-N 370.836 4.755 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OC)CCCC3)CC2=O 587483092 UXZSJNVEFZZDJU-JOCHJYFZSA-N 366.457 4.939 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3c(C)cc(Cl)cc23)c1C 587624844 UZLXOZPPUIPCAZ-UHFFFAOYSA-N 351.784 4.823 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H]2CCCF)N1 587722488 ZBRHQDSLNNSHNO-NDGTYSDOSA-N 358.270 4.868 0 1 FJAF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587809335 ACVMWVIVPOMSOJ-YJYMSZOUSA-N 362.286 4.889 0 1 FJAF COc1ccc(C[C@H](C)c2nc3ccc(OC(C)C)cc3[nH]2)cc1OC 587926742 OTXNXGYNIWEZAU-AWEZNQCLSA-N 354.450 4.714 0 1 FJAF CCc1ccc(C[C@@]2(C)c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1 962625589 JJZUXTJJIWDKTF-HJPURHCSSA-N 353.506 4.601 0 1 FJAF CN1CCc2c(Br)cccc2[C@@H]1c1cn(C)c2ccccc12 963279317 GVZVRGDMLSCDJU-LJQANCHMSA-N 355.279 4.518 0 1 FJAF Cc1ccncc1-c1nc(NC2Cc3ccccc3C2)c2ccccc2n1 1772592187 IZELJCTXEFPJGK-UHFFFAOYSA-N 352.441 4.580 0 1 FJAF O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(F)c2)c1 1857614148 VKDQTIBHJIASCM-UHFFFAOYSA-N 369.367 4.854 0 1 FJAF C[C@@H]1CC[C@]2(C)C(OC(=O)CC(=O)O)=CCC[C@@H]2[C@@]1(C)CCc1ccoc1 2356598430 PPQVAHQHYRDJTI-DWPZYODISA-N 374.477 4.967 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(C=Cc2ccoc2)[C@@H]2CCC[C@@H](C(=O)O)[C@@]21C 2356670122 ANOFHMQPLUCEOM-BCEJFOQHSA-N 374.477 4.778 0 1 FJAF Cc1ccsc1C(=O)[C@H]1CCCN(Cc2c(C)nn(C(C)C)c2C)C1 55060632 HDEORHZBKNBEAL-KRWDZBQOSA-N 359.539 4.546 0 3 FJAF COc1cccc([C@@](C)(O)c2nc(-c3cccc4cccnc34)cs2)c1 61926750 RGQQWFHGFLKQBJ-OAQYLSRUSA-N 362.454 4.623 0 3 FJAF CC(C)c1ccc(CN2CC[C@@]2(C)C(=O)Nc2cnc3ccccc3c2)cc1 61927555 OMRXLBVJVZJZBX-DEOSSOPVSA-N 373.500 4.961 0 3 FJAF O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)S1 6971873 NDYJWTSPTOUSRF-MFOYZWKCSA-N 368.845 4.667 0 1 FJAF CC1(C)Cc2c(-c3ccccc3)c(-c3ccc(N)cc3)c(CC(=O)O)n2C1 13737366 LHWCJPUMRLVZST-UHFFFAOYSA-N 360.457 4.614 0 1 FJAF CCCN(CCC)CCc1cccc(OC)c1OCCc1ccccc1 13795725 WICNRYBJDUQEBR-UHFFFAOYSA-N 355.522 4.981 0 1 FJAF O=c1oc2ccccc2n1CC1CCN(Cc2cccc3ccccc23)CC1 40408043 VMQUOBMIHLXHRG-UHFFFAOYSA-N 372.468 4.660 0 1 FJAF CCN1CCN(c2cc3[nH]c(SC(C)(C)C)nc3cc2Cl)[C@H](C)C1 40878942 NDISOCGETLUCIC-GFCCVEGCSA-N 366.962 4.637 0 1 FJAF COc1c(C)c(CCCCCCCCCCSC)oc(=O)c1OC 71316507 KEAOWFVPPJUFOW-UHFFFAOYSA-N 356.528 4.992 0 1 FJAF biogenic,in-vitro CC1CCC(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)CC1 71318726 ZPZJLFZLQVBLLY-UHFFFAOYSA-N 373.522 4.721 0 1 FJAF Cc1ccccc1[C@H](OC[C@@H](O)CN1[C@@H](C)CCC[C@@H]1C)c1ccccc1 169301451 BWNMYDFFSCWUHU-CGCKEFBRSA-N 367.533 4.725 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169322127 YEULSAXOJYTLCB-BCWMMMTOSA-N 359.554 4.739 0 1 FJAF Oc1cnccc1CCCOc1cccnc1Oc1ccc(Cl)cc1 169327093 HFCMTGHLGFTCIK-UHFFFAOYSA-N 356.809 4.640 0 1 FJAF COC(=O)C[C@]1(C)CC[C@@]2(O1)C(C)=C(O)C[C@@H]1C(C)(C)CCC[C@@]12C 238770452 YZKVFPBCUJKGKM-MBPVOVBZSA-N 350.499 4.926 0 1 FJAF CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCCN(CC2=CC[C@H]3C[C@H]2C3(C)C)CC1 253638902 BBGHXYBFTRQTBB-MYDTUXCISA-N 368.609 4.979 0 1 FJAF Fc1ccc([C@@H](CC2CNC2)Oc2ccccc2OC(F)(F)F)cc1F 299839118 QDXMLWBTDCCUTJ-QGZVFWFLSA-N 373.321 4.593 0 1 FJAF C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)c4ccccc4)[C@H]3C[C@@H]12 299887230 YMDKUNNJPAGDDL-XPKVDYDOSA-N 353.506 4.651 0 1 FJAF COc1ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c(Cl)n1 587083831 OCFHGDFVFYJTAC-UHFFFAOYSA-N 359.760 4.899 0 1 FJAF Cc1ccc2c3c(c4c(nc13)-c1ccc(O)nc1CC4)-c1ccccc1C2=O 587096076 FLIWLNOTPCVIQH-UHFFFAOYSA-N 364.404 4.621 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1c(F)cccc1C(F)(F)F)[C@@H](C2)C3=O 587418887 DRPHWYAUEQWRQH-SGTLLEGYSA-N 366.310 4.516 0 1 FJAF COCC[C@@]1(Cc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504051 MAMMSYMAEQJHFO-HSZRJFAPSA-N 368.448 4.688 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1 587546610 JNMMEUKUXRZPCL-FXAWDEMLSA-N 352.773 4.749 0 1 FJAF CCc1cc(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587604852 ZKWLYUIPKWUSDQ-REWPJTCUSA-N 360.409 4.966 0 1 FJAF C/C=C/C/C=C/Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc([C@H](C)CC)cc12 587640422 AFUXHDHZNKWKOW-TXOXURNESA-N 352.478 4.672 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(F)cc2)N1 587731594 HJZQMTUZYRPHTK-BZNIZROVSA-N 366.249 4.935 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3n2)N1 587779146 QKDPXFJUVRJLGT-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C\c2ccco2)N1 587830006 SBPXAIGVKNROJQ-XKEMTHKXSA-N 350.231 4.644 0 1 FJAF CSc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587847642 UZEFOKCUIQLUTD-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955320 HITXEOBFHCTOPP-QGZVFWFLSA-N 360.388 4.775 0 1 FJAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1O[C@@H]1C=CCCC1 962296262 FVSBGAFITVVZLN-JPYJTQIMSA-N 367.464 4.865 0 1 FJAF COc1cc2c(cc1OC)C1(CC(c3cccc(C)c3)C1)N(C)[C@@H](C)C2 962633630 KKWDELBGKWTMMU-WYTFLKLQSA-N 351.490 4.662 0 1 FJAF CC(=O)OC[C@]1(C)CC[C@@H](C(C)C)C=C[C@](C)(O)CCC=C(C)CC1=O 2356519434 BHSGVCGSYDQSIG-BAGYTPMASA-N 364.526 4.615 0 1 FJAF Cc1noc(C)c1-c1ccc(C(=O)NCc2cccs2)c2occc12 61903581 YRVXWXMYZSJLLZ-UHFFFAOYSA-N 352.415 4.696 0 3 FJAF CCOc1ccccc1-c1onc(-c2ccc(F)cc2)c1C(=O)NC(C)C 773717 PLCGJNKCLZONIF-UHFFFAOYSA-N 368.408 4.685 0 1 FJAF Cc1c(O)c(=O)ccn1CCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 1489986 HQHPJTMZWXKWFL-UHFFFAOYSA-N 371.521 4.796 0 1 FJAF COc1cc2c(c(OC)c1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@@H]1CO2 14819610 ZCGOJWAIXQAUMW-KSFYIVLOSA-N 368.429 4.528 0 1 FJAF endogenous,in-man CC(=O)c1ccc(COc2ccc(/C=C3\SC(=S)N=C3O)cc2)cc1 26274422 SHOCCFZVQVBIHS-YVLHZVERSA-N 369.467 4.797 0 1 FJAF CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@H]1O[C@@H]1C/C=C\CCC(=O)O 34961928 BOFBVWROGCPAFH-HTMLCVHGSA-N 358.478 4.507 0 1 FJAF in-vitro c1cc2c(cc1OCCCN1CCCCC1)CN(CC1CCCCC1)CC2 36289083 VOXRSAQARRAPOI-UHFFFAOYSA-N 370.581 4.880 0 1 FJAF C=CC1=C(C)[C@@H]2CC[C@H]3[C@@](COC(C)=O)(C(=O)O)CCC[C@]3(C)[C@H]2CC1 40862660 MMAYUYRWDRFNKQ-JIWOIOHBSA-N 360.494 4.749 0 1 FJAF C[C@H](OC(=O)c1cc2c(cn1)[nH]c1ccccc12)C(Cl)(Cl)Cl 64512555 CVKCDJDKFLODQU-QMMMGPOBSA-N 357.624 4.632 0 1 FJAF CC(C)(N)c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(F)c1 72118294 UGPJPQJQOWWDDI-UHFFFAOYSA-N 352.240 4.724 0 1 FJAF COc1ccc(OC)c([C@@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)c1 85932304 SZUUCCHCUGGUGG-NFBYLEBQSA-N 372.461 4.806 0 1 FJAF biogenic O=C1CCc2cc([C@H](c3ccncc3)c3cccc(Cl)c3)cc3c2N1CC3 95597757 CWQIYOHKMPSADC-JOCHJYFZSA-N 374.871 4.751 0 1 FJAF OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1coc2ccccc12 101185386 FSRGBFIJCFDRBB-OALUTQOASA-N 351.421 4.587 0 1 FJAF O=c1o[nH]c2c(COc3ccc(-c4cc(F)c(F)cc4F)cc3)cccc12 101677071 YDIUCHIYCFBPNC-UHFFFAOYSA-N 371.314 4.784 0 1 FJAF O=C(CCCCCCc1ccccc1)c1ncc(-c2ccc(CO)cn2)o1 103239608 FSMFTIDOUABVPK-UHFFFAOYSA-N 364.445 4.605 0 1 FJAF Cc1ccc(Nc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 103269850 DIGXXTVUDQFOLP-UHFFFAOYSA-N 351.413 4.997 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C/C(=C\c1ccncc1)[C@@H]2O 299870328 SOWVSBMETYFGLF-AAPDRRMESA-N 361.485 4.698 0 1 FJAF in-vivo Cc1c(Br)cc2nc([C@H]3C[C@H](O)c4ccccc43)[nH]c2c1C 586904301 SYAHASCTQDRBLF-BBRMVZONSA-N 357.251 4.511 0 1 FJAF O[C@@H]1C[C@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586905048 XPYIEYAPSYNUET-ZUZCIYMTSA-N 352.743 4.804 0 1 FJAF O=C(O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587207649 UQEVLNQXVHISGO-UHFFFAOYSA-N 351.361 4.811 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)F)c(OC)c1)CC2=O 587467843 UTWZSCJKICXWLE-QGZVFWFLSA-N 362.372 4.997 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](N=O)[C@@H]2CC[C@@]1(C)C2(C)C 587469678 OOSYPUNOZVDCOA-FCEUTRGCSA-N 357.450 4.640 0 1 FJAF COc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523204 HIIBWDNVEBFLMB-NRFANRHFSA-N 374.440 4.671 0 1 FJAF O=C1C[C@@H](c2cc(CN3CCCC3)cs2)Oc2c1ccc1c2CCCC1 587531118 JTXGBIAQRXTIJD-FQEVSTJZSA-N 367.514 4.929 0 1 FJAF O=C1C[C@@](CCCCC2OCCO2)(C2CC2)Oc2c1ccc1c2CCCC1 587535179 JEJLLHXGPMAOQI-QHCPKHFHSA-N 370.489 4.613 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1F 587556228 WKBNVXVEDUCCTG-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cc1C 587637558 CSPGPCYDPUMPLL-UHFFFAOYSA-N 361.319 4.895 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)cc2F)N1 587714453 FTZUJDXTURKZAW-HYORBCNSSA-N 374.175 4.629 0 1 FJAF Cc1c(F)cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587722962 UUXHWZBNVXRLTR-XLFHBGCDSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccc2F)N1 587726336 IMHYQPWKDXJANQ-ADLMAVQZSA-N 366.249 4.935 0 1 FJAF Cc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587731331 ZAQVZQJYJPMOQY-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccccc32)N1 587819844 WVQMDMZMYPEQTQ-HXPMCKFVSA-N 360.270 4.702 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@H]1c1ccccc1 587872373 WOFLWYMRPJLLIQ-ZWKOTPCHSA-N 350.393 4.532 0 1 FJAF CN(C)C(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958474 FGVPNQPVPUQFDK-UHFFFAOYSA-N 355.441 4.523 0 1 FJAF CCNC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1 653740486 VWZKHFMLJYMWMZ-UHFFFAOYSA-N 351.494 4.793 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cc(Cl)nc(Cl)c1N 963240056 KGVZQKMGYBLDCT-CWTRNNRKSA-N 364.320 4.891 0 1 FJAF COc1ccccc1CC[C@]1(C2CCCC2)NCCc2ccc(O)cc21 963354373 WWQPZXSJYDIDOK-HSZRJFAPSA-N 351.490 4.565 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(C)c34)cc2)c1 1772581967 GIODDBAYPWNJIQ-UHFFFAOYSA-N 357.417 4.886 0 1 FJAF O=C(NCc1ccc2cnccc2c1)c1ccc2c(c1)[nH]c1ccccc12 1772606037 MPTSSEZAZALWBB-UHFFFAOYSA-N 351.409 4.799 0 1 FJAF NC[C@@H](Oc1noc2ccc(-c3ccccc3Cl)cc12)c1ccccn1 1857566617 YYWLDHVFBDQOSB-LJQANCHMSA-N 365.820 4.622 0 1 FJAF O=C1[C@@H](n2cccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 206025604 PSQHKVMBVDKXTR-SFHVURJKSA-N 356.347 4.643 0 3 FJAF CCCOc1oc(=O)c2cc(NC(=O)Nc3ccccc3)ccc2c1Cl 2003137 NTIRQLXQCVZDJU-UHFFFAOYSA-N 372.808 4.879 0 1 FJAF Cc1cc(CCCOc2c(C)cc(-c3noc(C(C)C)n3)cc2C)on1 26494172 OHCYEOQTIAJBBZ-UHFFFAOYSA-N 355.438 4.785 0 1 FJAF CCOC(=O)C1=CN(C(=O)Oc2ccccc2)C=C[C@@H]1c1ccc(C)cc1 28649375 JSLNJKCMEWUAAJ-LJQANCHMSA-N 363.413 4.554 0 1 FJAF O=C(c1cccc(Br)c1)c1nccc2c1[nH]c1ccccc12 66066065 UWCQMZCXNUYULW-UHFFFAOYSA-N 351.203 4.710 0 1 FJAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccco2)sc1C 82165912 QBBLHUKBOVOBMB-UHFFFAOYSA-N 354.479 4.713 0 1 FJAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)n1sc2ccccc2c1=O 96271384 FIMDSFOGWWUFAI-UHFFFAOYSA-N 372.755 4.815 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)[C@@H](C)C1(Cl)Cl 103296539 NEGUFQXRUXGZPR-YGRLFVJLSA-N 368.226 4.584 0 1 FJAF FC(F)(F)c1cccc(CN2CC[C@H](Nc3cccc4cnccc34)C2)c1 114332796 SSRBFIKGFONJBY-SFHVURJKSA-N 371.406 4.940 0 1 FJAF Cc1ccc(F)cc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1 144347942 MJXMHISKCNEGOQ-UHFFFAOYSA-N 359.404 4.980 0 1 FJAF CCN(CC)c1ccc(C(=O)OCCn2c(C)cc3ccccc32)cc1 169352272 HRXCYPZUXXRCIH-UHFFFAOYSA-N 350.462 4.653 0 1 FJAF O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12 222396631 WQCAIEFWZIYFLE-UHFFFAOYSA-N 353.381 4.864 0 1 FJAF Oc1nc2ccc(N3CCC[C@@H]4CCCC[C@H]43)nc2nc1-c1ccccc1 299884265 STRGLHVWUDFYLD-MAUKXSAKSA-N 360.461 4.556 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586907933 OWSSQNZCYRJMMP-MRVPVSSYSA-N 368.742 4.816 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1nc(Cl)ccc1C3 586987527 YFTXJFCDIDPLAH-UHFFFAOYSA-N 370.795 4.771 0 1 FJAF O=C1c2ccccc2-c2c([C@@H]3CCCCC34OCCO4)cnc3cccc1c23 587209732 UFQVDHCCFJFLPU-IBGZPJMESA-N 371.436 4.847 0 1 FJAF Nc1cc(-c2nc3c(Br)cnc(Cl)c3[nH]2)c2ccccc2c1 587252484 XFZVBVXBLKBCDW-UHFFFAOYSA-N 373.641 4.776 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cccc(F)c1F)O2 587385404 NXPOMZXTYICUIP-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587422161 SBNXBRIDXOZGLB-SCLBCKFNSA-N 366.310 4.516 0 1 FJAF C=Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587601736 GUOUBAZULCKBNT-OFNKIYASSA-N 358.393 4.912 0 1 FJAF Nc1c(-c2ccc(Cl)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587621793 JCHQGIGTMSFSKZ-UHFFFAOYSA-N 361.630 4.709 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Cl)c(Cl)c1 587649266 OMSWALGWYFPGFO-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587722508 SAJVZVVPESDVPS-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF CC(C)c1nc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587853398 QVNGIMUBBZCVGF-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF COc1cc2c(cc1OC)[C@]1(C[C@@H](OC(C)(C)C)C13CCC3)N(C)[C@H](C)C2 962620962 ANZQYGGJBATVTL-OFSQETHSSA-N 373.537 4.533 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(CCN(C)C(=O)OC(C)(C)C)N1 962954948 LSGQNFMHQMLBML-IVZQSRNASA-N 371.525 4.564 0 1 FJAF Cc1ccc([C@@]2(C3CCCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)cc1 963018611 DJWWHABCQDIRAZ-IQGLISFBSA-N 374.528 4.872 0 1 FJAF Cc1ccccc1CN(Cc1ccccc1C)c1ccc(O)c(C(=O)O)c1 1772589720 NDKJCXJURWKOKV-UHFFFAOYSA-N 361.441 4.914 0 1 FJAF CCOC(=O)Nc1ccc(NCc2ccc(-c3ccccc3)cc2)nc1N 1772623769 WKYHUYYWPOHNCF-UHFFFAOYSA-N 362.433 4.511 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 1857567167 MEHJFIPYSWVCTE-HXJAPYIESA-N 374.521 4.814 0 1 FJAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccc(Cl)cc1 1857643781 NTROMQQIVDDQPC-UONOGXRCSA-N 369.896 4.847 0 1 FJAF COc1c(C)cc([C@H](O)c2nc(-c3ccc4ccccc4c3)c[nH]2)cc1C 61896088 FYAIOGVAYPVBLH-NRFANRHFSA-N 358.441 4.937 0 3 FJAF CCc1ccc(-n2cnc3cc(C(=O)N4CCc5ccccc54)ccc32)cc1 3025524 DZEWIEVHTFMYEQ-UHFFFAOYSA-N 367.452 4.791 0 1 FJAF CCN(CC)C(=O)c1ccc([C@@H](c2ccccc2)N2CCCCC2)cc1 13803484 YUVBUYRBSQWACN-JOCHJYFZSA-N 350.506 4.744 0 1 FJAF CS(=O)(=O)c1ccc(/C(=C/c2ccc(F)c(F)c2)c2ccccc2)cc1 28122813 YRBVPLSHFFJSHS-CPNJWEJPSA-N 370.420 4.957 0 1 FJAF Clc1cccc([C@@H](c2ccc(CN3CCCC3)cc2)n2ccnc2)c1 35246394 MYPXRWRXXJENNE-OAQYLSRUSA-N 351.881 4.770 0 1 FJAF C[C@H]1S[C@H](c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O 40423922 LKXQTLAWFJJCNQ-QLJPJBMISA-N 353.274 4.551 0 1 FJAF CCN(CC)CCC[C@H](C)Nc1ccnc(COc2ccc(F)cc2)c1 95607672 GVDSYZISJVXWIK-KRWDZBQOSA-N 359.489 4.722 0 1 FJAF CC(C)CNC(=O)/C=C\C=C\CCCC/C=C\c1ccc2c(c1)OCO2 95914820 RPOYGOULCHMVBB-SXUMYRMPSA-N 355.478 4.874 0 1 FJAF biogenic,in-vitro CCOc1ccc(NCc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1 473145105 JRTSLVUOBKJEOX-UHFFFAOYSA-N 354.494 4.956 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 586887753 IZTKHEBBLLHYIS-ZHRRBRCNSA-N 370.452 4.939 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)CCO4)nc3ccc(O)c1c23 586992340 VLCXHLNGRQGQAV-UHFFFAOYSA-N 365.388 4.754 0 1 FJAF Cc1cccc2nc(/C=C/c3cc(Br)c4c(c3)OCCO4)[nH]c12 587000604 IJKVMRNUJFBCGB-AATRIKPKSA-N 371.234 4.575 0 1 FJAF Nc1cc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2cc1N 587062887 CDKXJWDGXYWQGZ-UHFFFAOYSA-N 364.836 4.627 0 1 FJAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2c(N)ncnc2[nH]1 587070904 INBNRGKCWIOXEQ-IJBAECSFSA-N 374.275 4.608 0 1 FJAF CCOc1cc(/C=C/c2nc3cc4cn[nH]c4cc3[nH]2)ccc1OC(F)F 587130304 KRDLVLZBRKQYQS-GQCTYLIASA-N 370.359 4.610 0 1 FJAF COc1ccc(Br)c2c1-c1nc3cccc4c3c(c1C2)CC4 587208536 TXVZEVVVBXSYRS-UHFFFAOYSA-N 352.231 4.676 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc3c(c1)CCO3)(C(C)C)CC2=O 587484665 HEFWARRPERYNKT-QHCPKHFHSA-N 366.457 4.796 0 1 FJAF O=C1C[C@]2(CCc3c2[nH]c2ccc(F)cc32)Oc2c1ccc1c2CCCC1 587510212 VNDKYSKDMDEXJA-QHCPKHFHSA-N 361.416 4.993 0 1 FJAF O=C1C[C@@H](c2csc(-c3ccccn3)n2)Oc2c1ccc1c2CCCC1 587535113 IIWFKWRJPHVMLF-IBGZPJMESA-N 362.454 4.790 0 1 FJAF Cc1ccc(F)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557883 POVZWYQPDLQXSJ-KNQAVFIVSA-N 364.372 4.717 0 1 FJAF O=C(c1ccc(O)cc1)c1c(C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630091 RDUIZOIXTHZESF-UHFFFAOYSA-N 357.690 4.916 0 1 FJAF COc1ccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)Cl)cc1 587633369 BQAJOTNLWQUYJV-UHFFFAOYSA-N 353.727 4.997 0 1 FJAF O=C(O)c1c(NC(=S)Nc2ccc(Cl)cc2)sc2c1CCCC2 653731229 OTDPLKUSWBCSIJ-UHFFFAOYSA-N 366.895 4.787 0 1 FJAF CCn1ccc2ccc([C@@H]3c4cc(OC)c(OC)cc4C[C@H](C)N3C)cc21 962577121 VQDWNVGBYVUMGY-NPMXOYFQSA-N 364.489 4.644 0 1 FJAF CCC[C@@]1([C@H](C)C(=O)OCC)NCCc2cc(-c3ccccc3)ccc21 962675472 ZMMPUQDMFZJDKG-HXOBKFHXSA-N 351.490 4.694 0 1 FJAF COc1ccc([C@H]2CCCC[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857611381 UQCIIGQMKVSWIN-SJORKVTESA-N 372.461 4.868 0 1 FJAF COc1cc(O)c2c(c1Cl)C=CCCCC(=O)CCC[C@H](C)OC2=O 1857743509 YMACQCHGWFWYIQ-LBPRGKRZSA-N 366.841 4.536 0 1 FJAF CC[C@@H]1CN(Cc2ccccc2)c2cc(-c3cccnc3)ccc2N1C(C)=O 1857761330 WJWVDISJAAEYCQ-JOCHJYFZSA-N 371.484 4.900 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3c(F)ccc(Cl)c3F)nc2c1 1911574267 ZMFJQRFOJVJVSO-DEOSSOPVSA-N 371.707 4.996 0 1 FJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049541 HXZLJCATZNHKNB-RBBKRZOGSA-N 364.489 4.818 0 1 FJAF C[C@@](Cc1ccc(Cl)cc1)(Oc1ccc(Br)cc1)C(=O)O 13604858 AANOMAZSUVKNII-INIZCTEOSA-N 369.642 4.567 0 1 FJAF CCOCCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610558 FKUBETVLALKYKU-CLWFVZRMSA-N 358.522 4.652 0 1 FJAF CCCCc1nc2cccnc2n1Cc1cc(Cl)c(O)c(Cl)c1 26274743 HSQDBOUDCJAHHH-UHFFFAOYSA-N 350.249 4.835 0 1 FJAF O=C(O)c1ccccc1-c1ccccc1C(=O)NC1CCCCCCC1 26640868 UANSMOHNYZYOKY-UHFFFAOYSA-N 351.446 4.895 0 1 FJAF O[C@@]1(c2ccc(Cl)cc2)CCCN(Cc2c[nH]c3ccccc23)CC1 28878340 UAWALOZYZRTVNF-NRFANRHFSA-N 354.881 4.695 0 1 FJAF O=C(O)c1cccc2c(=O)cc(-c3cccc(OCc4ccccc4)c3)oc12 29225446 ZWUISBSVEOZDKK-UHFFFAOYSA-N 372.376 4.737 0 1 FJAF CCCC(=O)Nc1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 29310694 MIQJCDDWOHMELK-UHFFFAOYSA-N 359.473 4.532 0 1 FJAF COc1ccc(/C=C/C(=O)N2CCS[C@@H]2c2ccc(C)c(C)c2)cc1 40575713 FPMUAWWFVRXDEZ-FTUXVVSKSA-N 353.487 4.599 0 1 FJAF O=C1Nc2c(ccc(F)c2F)[C@@]1(c1ccc(O)cc1)C1CCCCCC1 43200747 POBBMGVRPWQXGA-NRFANRHFSA-N 357.400 4.879 0 1 FJAF O=C(Nc1ccccc1-c1nc(Cl)cs1)OCC[C@@H]1CCCCN1 84740340 YHQSHGPYYNXGGA-LBPRGKRZSA-N 365.886 4.544 0 1 FJAF O[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299807873 ZYCCDGNCYIZABH-MBWGTIHESA-N 361.529 4.953 0 1 FJAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCC(=O)CC/C=C/2 299820774 HVQRFFWEQMSKPG-HWKANZROSA-N 354.402 4.510 0 1 FJAF CSCC(C)(C)c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1 586969208 OLJNNAGJSSYCKR-UHFFFAOYSA-N 367.234 4.985 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(F)(F)F)C3 586987522 YDUOROKAVXEIJY-SNVBAGLBSA-N 369.342 4.819 0 1 FJAF Brc1cnc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023122 FLBVJUFFLIKFGH-UHFFFAOYSA-N 363.265 4.572 0 1 FJAF COc1cncc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587030678 IYYDUOJERFRBNA-GFCCVEGCSA-N 364.474 4.926 0 1 FJAF Cc1c(Br)cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2c1C 587112102 KMHPORMTOZZZPH-UHFFFAOYSA-N 372.188 4.967 0 1 FJAF Cc1c(Cl)ccc2nc(-c3c(C(F)(F)F)n[nH]c3C(F)(F)F)[nH]c12 587120363 GAJBRSGYICNLHC-UHFFFAOYSA-N 368.668 4.952 0 1 FJAF Nc1c(F)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587135035 QOUKSOLRGSQUMD-UHFFFAOYSA-N 358.573 4.506 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OC(F)F)O2 587383976 XVQDWCPWXKXOEO-HNNXBMFYSA-N 353.752 4.539 0 1 FJAF C/C=C\COc1ccc(CC[C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400875 SETQYAABHSOEKW-CHFIUFFRSA-N 365.473 4.889 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4cccc(O)c4)c1)[C@@H](C2)C3=O 587452834 VNXGXMQNAJVCIV-WMZHIEFXSA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(O)c(Cl)c1)CC2=O 587464976 DFSHUZSUFPYPHT-INIZCTEOSA-N 350.773 4.549 0 1 FJAF O=C1C[C@H](c2c(Cl)ccc3nccn23)Oc2c1ccc1c2CCCC1 587500502 PJKQPCSWGNTBHR-QGZVFWFLSA-N 352.821 4.573 0 1 FJAF COc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CCC(=O)O)cc1F 587624335 GWQNRFVSVNSPHK-UHFFFAOYSA-N 361.800 4.962 0 1 FJAF Cc1[nH]c2cc(F)ccc2c1C(=O)Nc1ccc(OC(F)(F)F)cc1 587633681 ILIHVDYEFPZODB-UHFFFAOYSA-N 352.287 4.766 0 1 FJAF O=C(COc1cccc2ccccc12)n1nc2cc1Oc1ccc(F)cc1-2 587873690 KNTPPSBBUFJKHW-UHFFFAOYSA-N 360.344 4.667 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587932129 UUUVJGWFPIABTA-DYBLOJMWSA-N 350.315 4.573 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)cc1 587936026 PRRIULCPSRGWEH-UHFFFAOYSA-N 369.424 4.790 0 1 FJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccc(Cl)cc1 653781856 ZSPCMSLHXICFQH-OAQYLSRUSA-N 363.848 4.828 0 1 FJAF Cc1oc2c(c1C)[C@@]1(CCC2)c2ccsc2CCN1Cc1cccn1C 962378657 ZCTMADJETKMOAO-JOCHJYFZSA-N 366.530 4.935 0 1 FJAF CO[C@H](C=Cc1csc(-c2csc(C(C)C)n2)n1)[C@H](C)C(C)=O 2356656204 DYTYLMNUPWHHGQ-IAQYHMDHSA-N 350.509 4.643 0 1 FJAF Cc1ccsc1-c1cc2nc(Nc3ccc(F)cc3)n(C)c(=O)c2s1 61926388 WSEGXAOYKFJAMB-UHFFFAOYSA-N 371.462 4.915 0 3 FJAF CCCCCc1cccc(CC(=O)NCCc2c[nH]c3ccc(O)cc23)c1 14979719 QHOQQQALRIPHRY-UHFFFAOYSA-N 364.489 4.508 0 1 FJAF Cn1c2c(c3ccccc31)C(=O)[C@H](CN1CCC(c3ccccc3)CC1)CC2 27740019 NPFGYEBTGQFLCQ-FQEVSTJZSA-N 372.512 4.803 0 1 FJAF N=C(N)c1ccc2cc(/C=C/c3ccccc3)cc(Nc3ncccn3)c2c1 28361908 RTPDDFLFZXREMW-BQYQJAHWSA-N 365.440 4.828 0 1 FJAF COc1cccc(-c2ccc(C(=O)NCCCCc3cccnc3)cc2)c1 29483424 IUOQFBIXEHTSNB-UHFFFAOYSA-N 360.457 4.510 0 1 FJAF O=C(NOCCCCOc1ccc(Cl)c(Cl)c1)c1ccccc1 45202249 MEASPKFRODZJEE-UHFFFAOYSA-N 354.233 4.514 0 1 FJAF Fc1cccc(F)c1[C@H]1CC[C@@H](N2CCN(C3CCCCC3)CC2)CC1 101768939 SYNAAQKVKRSFKL-UAPYVXQJSA-N 362.508 4.941 0 1 FJAF Clc1ccc([C@]23CCNC[C@]2(Cn2ncc4ccccc42)C3)cc1Cl 101990020 GRCVTMNCDBAKJY-VQTJNVASSA-N 372.299 4.665 0 1 FJAF COc1ccc(-n2c(-c3ccccc3)nc3ccc(Cl)cc3c2=O)cc1 103218843 GOJFGUJTIAYZJN-UHFFFAOYSA-N 362.816 4.715 0 1 FJAF Cc1cc(OCC(=O)O)cc2cc(C)n(Cc3ccc(O)c(C(C)C)c3)c12 299857958 PDAXFQMIZAKQJA-UHFFFAOYSA-N 367.445 4.599 0 1 FJAF Cc1cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c2cc1Cl 586985060 XYZIUMDFIIRUEW-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H]([C@H]1CCOC1)CCC3 586991877 QPBFOPSTZGEZIZ-UONOGXRCSA-N 371.436 4.608 0 1 FJAF Ic1ccc2c(c1)-c1nc3cccc4c3c(c1C2)CC4 587212411 IHPGAQJUYVWJRK-UHFFFAOYSA-N 369.205 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3[nH]c4ccc(Cl)cc4c31)O2 587379708 KFCWBEVPQFYIFO-NRFANRHFSA-N 366.848 4.909 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(F)nc3)ccc1F)O2 587387835 XMOCAPHSNDGMOM-IBGZPJMESA-N 366.367 4.624 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)sc1Cl)[C@@H](C2)C3=O 587454487 ZZRFUJXNJCFXCM-FVMDXXJSSA-N 355.242 4.726 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C(C)C)nn(C)c1Cl)CC2=O 587460851 KLUYDRPARVSQMS-OAHLLOKOSA-N 362.857 4.562 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3cccc(OC)c3n1)CC2=O 587488732 JDJJREXBIGMBAW-FQEVSTJZSA-N 363.413 4.608 0 1 FJAF O=C1C[C@@](c2ccccc2)(c2cccnc2)Oc2c1ccc1c2CCCC1 587516275 VFTIGBBWEZJGMA-XMMPIXPASA-N 355.437 4.869 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4c(c3)OCO4)c2c1 587644033 ZJCZJZGCAQVQEC-LBPRGKRZSA-N 350.418 4.971 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(Cl)ncc4[nH]3)c2)c1 587933341 YXSLTUQCWSIBNL-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@@H](c2csc3ccccc23)N1)C(F)(F)F 962763298 JZMABGMCZBDUJT-RDJZCZTQSA-N 361.388 4.636 0 1 FJAF CCOP(=O)(OCC)[C@@H](CCCc1ccccc1)CSC(C)=O 1772589482 REPHMPMKUHEYEJ-KRWDZBQOSA-N 358.440 4.924 0 1 FJAF NCc1cc2ccc(-c3ccc(C(=O)Nc4ccccc4)nc3)cc2s1 1857581757 OMIKJKNVZDVCKS-UHFFFAOYSA-N 359.454 4.674 0 1 FJAF CCC=CCC=CC=C[C@H](O)CC=CC=C[C@H](O)CCCCCC(=O)O 2356351617 BCWQNTXSYCKTHB-SFTDATJTSA-N 362.510 4.715 0 1 FJAF CC(=O)O[C@@H]1C2=CC[C@@H]3[C@](C)(C(=O)O)CCC[C@]3(C)[C@@H]2CC[C@@H]1C(C)C 2356453929 QSFKOXOLMLLFAI-IYFFCJDESA-N 362.510 4.828 0 1 FJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3C(C)C)O[C@@H](C)[C@H](C)C2=O 2356670354 LNDUCGCDUQUPIH-KCQAQPDRSA-N 372.461 4.549 0 1 FJAF COc1cc([C@H]2CC(=O)c3c(ccc4ccccc34)N2)cc(OC)c1OC 5658142 KDEBPGDEBXJRDU-QGZVFWFLSA-N 363.413 4.605 0 1 FJAF CC(=O)c1cccc(NC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)c1 8611455 QOMJOMUZVINRJE-UHFFFAOYSA-N 370.408 4.874 0 1 FJAF Cc1ccn(-c2ccc(C(=O)N3CCCCc4ccccc43)c(Cl)c2)n1 13835109 DAJTYMRNVHIRNN-UHFFFAOYSA-N 365.864 4.817 0 1 FJAF C[C@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1 14652130 ZKASYRHNYFCICF-LAUBAEHRSA-N 360.409 4.830 0 1 FJAF biogenic Fc1cccc(CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c1 20766609 BYZGCYHBCXWIAX-UHFFFAOYSA-N 358.460 4.713 0 1 FJAF O=c1c2cc(F)c(-c3cccc(F)c3)cc2n(C2CC2)c2snc(O)c12 28571100 RYGQUNHPYQJBTQ-UHFFFAOYSA-N 370.380 4.597 0 1 FJAF Cc1cccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)c1 28821388 ODAYOBXFPHHOMA-UHFFFAOYSA-N 358.485 4.543 0 1 FJAF CN(CCOc1ccc(-c2ccccc2)cc1C1CCCCC1)CC(=O)O 28958326 MGBADWBOWDCNPN-UHFFFAOYSA-N 367.489 4.797 0 1 FJAF CCCCN1CCC(Nc2nc3ccccc3n2Cc2ccccc2)CC1 29569375 XXSSUYPUJQKUKD-UHFFFAOYSA-N 362.521 4.761 0 1 FJAF c1ccc2c[n+](Cc3ccc(C[n+]4ccc5ccccc5c4)cc3)ccc2c1 66075283 QSQXPXMHGYXQAJ-UHFFFAOYSA-N 362.476 4.665 0 1 FJAF COc1ccnc(Nc2nc(-c3cc(-c4ccccc4)no3)cs2)c1 66075893 WSLZLLUSFVTYFQ-UHFFFAOYSA-N 350.403 4.612 0 1 FJAF O=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1-c1ccc(F)cc1 103174462 OSBCVGUDZYVTTM-UHFFFAOYSA-N 350.780 4.845 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1sc3ccccc3c1Cl)NCC2 144724879 XRYFPBVJOHOWLG-SFHVURJKSA-N 359.878 4.807 0 1 FJAF Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)c1 169315633 DCCIBUPSLSMHHL-NRDMVMEKSA-N 369.892 4.820 0 1 FJAF Cc1ccc(NC(=O)Nc2ncccc2OCc2cccc(F)c2)cc1 206938411 AZXZHJDQBMZWQQ-UHFFFAOYSA-N 351.381 4.752 0 1 FJAF CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@H](N)C[C@]4(C)[C@@H]3CC[C@]12C 263613849 ZSSPHCDGLYDLSV-LSVOKTCQSA-N 359.554 4.844 0 1 FJAF Brc1cc2[nH]c(-c3ccc(-c4nccs4)s3)nc2cn1 587022981 BDWKBKWDJWKXMB-UHFFFAOYSA-N 363.265 4.572 0 1 FJAF COC(=O)c1cc(Cl)c2nc(-c3cc4c(s3)CC[C@@H](C)C4)[nH]c2c1 587034410 ULZRPTSYIZOLQO-SECBINFHSA-N 360.866 4.856 0 1 FJAF COc1cc(Cl)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c(Cl)c1 587374069 GBCJBWKMGPIWTH-HNNXBMFYSA-N 352.217 4.599 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(=O)OC(C)(C)C)cc1)O2 587399938 KYBPCGJHOOUIAC-GOSISDBHSA-N 369.417 4.598 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(C)C)c(Cl)c1)[C@@H](C2)C3=O 587418714 ASELFPSUBALGFX-BTYIYWSLSA-N 372.848 4.799 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O 587445159 IPEXQUCLZWJAKJ-OFVILXPXSA-N 368.432 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C)n1-c1cccnc1)CC2=O 587470488 KFGXCXFOWNCYMG-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(C)cc3nc1O)CC2=O 587489370 LMVONNOSUPPJCR-FQEVSTJZSA-N 363.413 4.613 0 1 FJAF Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587604622 XLYZQKUSPAPFRS-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ncccc23)N1 587780151 YWCONOCCQOGFPV-NSPYISDASA-N 371.253 4.760 0 1 FJAF CC[C@]1(Cc2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587826623 FSJAWJVBSKDYPG-APPDUMDISA-N 352.247 4.563 0 1 FJAF CC[C@@]1(c2cccs2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587847585 LOOGIWKAODGAHU-QFYYESIMSA-N 354.288 4.838 0 1 FJAF CN(C)[C@H]1CN([C@H]2CCCc3ccccc32)C[C@@H]1c1cn(C)c2ccccc12 1772646318 XSRDAYZLLDJPDZ-VJTSUQJLSA-N 373.544 4.585 0 1 FJAF CN(CCCCCC(=O)Nc1ccc(O)c2ncccc12)c1ccccc1 1857597159 JEYXBORZUZCJMU-UHFFFAOYSA-N 363.461 4.576 0 1 FJAF Cc1ccc(-c2cccc3c2[nH]c2ccccc23)c(NS(C)(=O)=O)c1 1857642414 STWZBTNZAKDAJT-UHFFFAOYSA-N 350.443 4.668 0 1 FJAF COC(=O)c1cc(CC=C(C)C)c2c(c1)C[C@@H]([C@](C)(O)CCC=C(C)C)O2 2356338490 YSLSPYQDOAYNCM-NZQKXSOJSA-N 372.505 4.783 0 1 FJAF O=C(Nc1ccc(NCC2CC2)cc1Cl)c1cc(Cl)ccc1O 2382255532 UUYAJZLOGWJZID-UHFFFAOYSA-N 351.233 4.773 0 1 FJAF O[C@@H](c1ccc(Cl)cc1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61905863 QOOCNGXZRIBJQH-HNNXBMFYSA-N 352.743 4.831 0 3 FJAF O=C1C2=C(c3ccccc3)Nc3ccccc3CN2C(=O)N1C1CCCCC1 72134205 YRGBNBOZPVBBJB-UHFFFAOYSA-N 373.456 4.578 0 3 FJAF CCCCC[C@@H](O)CCC[C@H](Cc1ccc(CCC(=O)O)cc1)C(C)=O 27096354 CIULJYUYIVWYLS-NHCUHLMSSA-N 362.510 4.563 0 1 FJAF CC[C@H](c1ccc(N(C)C)c(O)c1)[C@@H](CC)c1ccc(N(C)C)c(O)c1 27653265 SNRYJZDSFBLRCV-HDICACEKSA-N 356.510 4.917 0 1 FJAF C[C@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 36323102 QOEXTXXKOOEPKU-YDCVAADYSA-N 361.485 4.786 0 1 FJAF Cn1c(-c2ccccc2)c(Cc2c(O)ccc3ccccc23)c(=O)[nH]c1=S 40950383 BJYURHATIUNIIT-UHFFFAOYSA-N 374.465 4.559 0 1 FJAF CNCCNCc1ccc(-c2ccc(-c3nc4c(C)cccc4[nH]3)cc2)cc1 45192328 WUXAQHIDFHUZGN-UHFFFAOYSA-N 370.500 4.514 0 1 FJAF Cc1cc(-c2cccc(F)c2)ncc1[C@@H]1CCCN1C(=O)c1cncs1 72176013 SBLMAORAZUXHPI-SFHVURJKSA-N 367.449 4.630 0 1 FJAF Cn1c(-c2ccsc2)cc2c(Nc3ccc4c(c3)OCCO4)nccc21 74387002 UTMGNSIKHKTRFE-UHFFFAOYSA-N 363.442 4.817 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N2C[C@H](CC)CC[C@@H]2C)c(-c2ccco2)n1 82142608 MTSFAZQUXASQPT-HRCADAONSA-N 370.497 4.598 0 1 FJAF CC(C)Oc1cccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)c1 95578384 SOINWRYKYZUWFP-UHFFFAOYSA-N 351.475 4.634 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@@H](C(C)C)/C1=C(\O)OC(C)(C)C 104677479 NMIUCCTYTQZYFO-AQTLKONXSA-N 351.487 4.934 0 1 FJAF Oc1csc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)n1 169726266 BLSMXBYXZBWETN-MRXNPFEDSA-N 355.850 4.858 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCC4COC4)cc3)cc12 219332760 HDBXDPAHXTZSBZ-UHFFFAOYSA-N 371.820 4.602 0 1 FJAF C[C@@H]1C[C@@H](C)CN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)C1 299831250 JADDVLOFVZYCHV-HZPDHXFCSA-N 364.468 4.863 0 1 FJAF CO[C@H]1CC[C@H](Nc2cc(O)nc3c(C)cc(-c4cncs4)cc23)CC1 299850074 ADFAWIIDRUZFJT-SHTZXODSSA-N 369.490 4.742 0 1 FJAF CC(=O)N[C@@H](CSCc1ccccc1)c1nc2ccc(Cl)c(C)c2[nH]1 586972293 GRJWANHWASZKAK-KRWDZBQOSA-N 373.909 4.635 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(OC)c(C(=O)OC)cc2[nH]1 587061691 HSCJPANAECXVMA-OAHLLOKOSA-N 374.824 4.542 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(C)cc(Br)c2[nH]1 587066520 DEDXWCHRWCUFLF-UHFFFAOYSA-N 350.647 4.996 0 1 FJAF Cc1cncc2nc([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)[nH]c12 587128757 PLXFMBTVXHJWIY-ZCFIWIBFSA-N 361.730 4.601 0 1 FJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(F)c2)c1 587138719 RWGHCAOXEWYBHW-UHFFFAOYSA-N 366.323 4.579 0 1 FJAF COc1cccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587199197 ZODOAQSFZBJILO-IBGZPJMESA-N 367.449 4.537 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4cccnc4)c(C)c1)[C@@H](C2)C3=O 587436554 QXQKMYBZGMZXNA-MBSDFSHPSA-N 373.408 4.680 0 1 FJAF CCCCC[C@@]1(c2ccc(O)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587451821 RORLBYRPVNKREI-GCJKJVERSA-N 352.430 4.624 0 1 FJAF C[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587558104 PUSXJUWISFIMKQ-WIYYLYMNSA-N 368.335 4.547 0 1 FJAF Cc1ccccc1C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602362 JNGWUNXMBHCKIW-OFNKIYASSA-N 360.409 4.664 0 1 FJAF CCC[C@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774969 OZAXXCQRJTWOMJ-KPZWWZAWSA-N 363.274 4.561 0 1 FJAF CN1CCc2c(Br)cccc2[C@H]1c1cc(F)ccc1Cl 963270585 PTMRHGNTXJSIDD-INIZCTEOSA-N 354.650 4.819 0 1 FJAF O=C(CCCOc1cccc(C(F)(F)F)c1)Nc1ncc(Cl)s1 1857534311 FIJNLINEUGMZSM-UHFFFAOYSA-N 364.776 4.613 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2F)cc1 1857547933 FKUPQSFUAASUHR-HRAATJIYSA-N 365.452 4.534 0 1 FJAF CN(C)C1=NC[C@H](Cc2ccccc2)N1CC1CCC(C(C)(C)C)CC1 15924743 YKUWVFQAWOAILI-CBNMVNINSA-N 355.570 4.683 0 3 FJAF O[C@@H](CCCN1CCC(Cc2ccc(F)cc2)CC1)c1ccc(F)cc1 834313 ZCFXTMMXUQBWTL-QFIPXVFZSA-N 359.460 4.733 0 1 FJAF COc1ccccc1C(=O)c1sc2nc(-c3cccs3)ccc2c1N 27083696 RHRUSTSCNDHMQD-UHFFFAOYSA-N 366.467 4.847 0 1 FJAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 27704034 QAAPYLBSSDSCQW-DHIUTWEWSA-N 351.490 4.818 0 1 FJAF Brc1ccc(OC2CCN(Sc3ccccc3)CC2)cc1 27732815 MGRCCRXXMABTFD-UHFFFAOYSA-N 364.308 5.000 0 1 FJAF CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2cc(C(C)C)ccc2o1 27999514 NJAIGIPGTZJZNT-SFHVURJKSA-N 352.434 4.538 0 1 FJAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OC(F)(F)F)cc3)ccc12 49035335 BAZMDWORPAMNJS-UHFFFAOYSA-N 363.339 4.867 0 1 FJAF O=C(Nc1cccc(Br)c1)Nc1cccc2ccc(O)cc12 71334215 SLFDNJIBKLVRJY-UHFFFAOYSA-N 357.207 4.952 0 1 FJAF FC(F)(F)Oc1ccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)cc1 100065492 YVZZMJPAQODVFB-UHFFFAOYSA-N 369.346 4.997 0 1 FJAF c1ccc(N2CCc3ccc(OCCCN4CCCCC4)cc3CC2)cc1 103246020 IOCXEAYYBZJHHK-UHFFFAOYSA-N 364.533 4.547 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103668287 BWXAXVURHVCRCM-FQEVSTJZSA-N 367.445 4.686 0 1 FJAF C=CC(=O)Nc1cccc(-c2nc(Cl)ncc2Nc2cccc(F)c2)c1 146940431 CIIBWULYANRZNZ-UHFFFAOYSA-N 368.799 4.804 0 1 FJAF C/C1=C/CC[C@@](C)(O)/C=C\[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 169291202 AVRRAMZPNSQDIW-RTFCZXGWSA-N 358.478 4.627 0 1 FJAF Cc1cccc(CNc2cc3c(cc2O)[C@@H](c2ccccc2)CN(C)CC3)c1 299824466 BJSBCWNGMVPHTE-HSZRJFAPSA-N 372.512 4.933 0 1 FJAF Oc1nncc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)[nH]c12 587082813 UTSDIKMHHXQHIF-UHFFFAOYSA-N 373.803 4.594 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2cc(C)cc(Br)c2[nH]1 587133540 ZQOVHXAFMWHNOJ-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF COc1c(F)cc(-c2nc3cc(Cl)cc(Br)c3[nH]2)cc1F 587135236 WDMJNWSISKEQLK-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 587250599 ZWKPDIZPCRURRE-UHFFFAOYSA-N 371.746 4.681 0 1 FJAF N[C@@H](Cc1nc2ccc(Br)cc2[nH]1)c1cccc2ccccc12 587259592 WVHPNWVWWFFDOJ-INIZCTEOSA-N 366.262 4.721 0 1 FJAF C[C@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372092 DVAJKQNRVGIYII-AZUAARDMSA-N 354.402 4.867 0 1 FJAF O=C1CC2(CCN(c3ccc(F)cc3)CC2)Oc2c1ccc1c2CCCC1 587508237 ORMWXCMMDBJVGP-UHFFFAOYSA-N 365.448 4.709 0 1 FJAF Cc1cccc(C)c1OC[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523735 PDRKQYWPTQLSLE-HSZRJFAPSA-N 350.458 4.985 0 1 FJAF Cc1cc(C(=O)O)cc(C)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528939 GWHYEHQFSXMYAV-LJQANCHMSA-N 350.414 4.587 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CC=C2Cl)N1 587702661 DTXSWCLSLALCFJ-MGPLVRAMSA-N 354.650 4.566 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3c2)N1 587779473 SQCNWJSLYHLULV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831457 XBRDLPOFKGNCNS-BMLIUANNSA-N 352.247 4.596 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3ccccc3OC2)N1 587836476 VQHSZVKEKVOEFH-WYRIXSBYSA-N 374.253 4.640 0 1 FJAF CSC(C)(C)C[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587840106 JMCUEXRWDRXQHB-QFYYESIMSA-N 360.336 4.869 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)Cc1ccsc1 587864155 LVULZHWNLQEAHF-UHFFFAOYSA-N 366.364 4.522 0 1 FJAF CC(=O)c1cccc(NC(=S)Nc2cccc(NC(=O)C(C)(C)C)c2)c1 1772639547 KCFMCEQFYNKNJS-UHFFFAOYSA-N 369.490 4.683 0 1 FJAF Clc1cccc(O[C@H]2C[C@H](NCc3cnc4[nH]ccc4c3)C2)c1Cl 1857611651 MCKQPLUGZRWKNZ-HDJSIYSDSA-N 362.260 4.569 0 1 FJAF CC(C=C[C@]1(C)[C@@H](C)CCC(=O)[C@H]1C)=CCc1c(O)cc(C)c(C=O)c1O 2356495999 AQCKKGIVKOHRLM-YGKZAACZSA-N 370.489 4.905 0 1 FJAF CCC[C@@](O)(CCN1CCCCCC1)c1ccc(Br)cc1 2922694 SVDDXZDOTJWEFW-GOSISDBHSA-N 354.332 4.703 0 1 FJAF CCCN(CCC)c1nc(C)nc2c(-c3ccccc3Cl)n(C)nc12 13445069 PSFTXUPYYVKAOA-UHFFFAOYSA-N 357.889 4.619 0 1 FJAF C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C21 13651592 XARCNANMFSCODL-HYLOXIRYSA-N 352.474 4.680 0 1 FJAF CNCC[C@H](c1ccccc1)n1c(=O)n(C2CCCCC2)c2ccccc21 34986465 OJWLQAQJTIVAQB-HXUWFJFHSA-N 363.505 4.507 0 1 FJAF CC(/C=C/C(=O)Nc1ccccc1N)=C\[C@@]1(C)CCc2ccccc2C1=O 40576623 OUHKEFADAWWBOX-XGPCWLHQSA-N 360.457 4.545 0 1 FJAF Fc1ccccc1-c1noc(C2CCN(c3cnc4ccccc4c3)CC2)n1 40878804 HTJCJFNAROHAIS-UHFFFAOYSA-N 374.419 4.808 0 1 FJAF CC(C)(C(=O)Nc1nccs1)[C@H](c1ccccc1)c1ccc(O)c(F)c1 72109959 PCJNAMBTUJABGN-QGZVFWFLSA-N 370.449 4.785 0 1 FJAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(CC[C@H]2CCCNC2)cc1 117721947 NRKZUGLLRMIIEM-MRXNPFEDSA-N 357.885 4.916 0 1 FJAF CO[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC=C(n5ccnn5)[C@@]4(C)CC[C@@H]32)C1 141908066 DSKJGDINTWOZJL-UMWWKMARSA-N 355.526 4.787 0 1 FJAF O=C1N(c2ccc3cc(F)sc3c2)CCN1c1cnccc1C1CC1 144497906 VVVDBOZRQZVQOG-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF CC(=O)O/C=C1/C=C\C=C(\C)C[C@@H]2OC(=O)[C@H]1[C@H]2[C@@H](C)CCC=C(C)C 238774065 PUSGGIDEGQFCFM-AYXJAAQOSA-N 358.478 4.880 0 1 FJAF CCc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1 587184448 UAOFGCJVOWPAPW-CLFYSBASSA-N 374.225 4.900 0 1 FJAF Cc1cccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338954 PGKYNKSFNRSOJL-SIKLNZKXSA-N 363.388 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(-c3ccccc3F)c1)CC2=O 587465501 DRWQNYGTHQVVKG-OAQYLSRUSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc(OC(F)F)c1)CC2=O 587466550 OONXMPWUGHLHHS-FQEVSTJZSA-N 362.372 4.827 0 1 FJAF Cc1cccc(C2CC3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)c1 587603356 MSAQDMYVOIAXCJ-SSSUMRQXSA-N 372.420 4.979 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1[C@@H]1COCCN1C(=O)OC(C)(C)C 587631956 NPBIWXZPDOCQMA-HNNXBMFYSA-N 368.836 4.577 0 1 FJAF COc1ccc(C)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587807646 LCFXDVFVIBYEJO-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF CCc1cccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815892 QZUIDYUPBPBKMR-BUXKBTBVSA-N 362.286 4.948 0 1 FJAF CCc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587817178 JBHNLIGVLXLCBX-MPBGBICISA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3o2)N1 587835063 UNRFZFZCUYYUHQ-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1c(F)cccc1Cl 587870802 JBNHEHSGPOBBMN-UHFFFAOYSA-N 362.763 4.569 0 1 FJAF CC(C)(C)C[C@@]1(c2ccc(Cl)cc2F)NCCc2nc3ccccn3c21 962981098 DMKVUVZHKQXNFZ-NRFANRHFSA-N 371.887 4.952 0 1 FJAF O=C1CC2(CCCC2)C[C@@]2(C1)c1ccsc1CCN2Cc1cccnc1 962995186 MGNNKUGYHRWIDC-QFIPXVFZSA-N 366.530 4.710 0 1 FJAF CCCCCCC(=O)Nc1ccccc1[C@]1(C)NCCc2c(C)ccnc21 963067749 AJIUKAXQIBFNRZ-QHCPKHFHSA-N 365.521 4.708 0 1 FJAF O=C(c1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)[C@H]1CCNC1 1772618614 OSFDFOIJWVRROQ-AWEZNQCLSA-N 369.679 4.656 0 1 FJAF Cc1cc(C(F)(F)F)n2nc(C)c(-c3ccc(OC(F)F)cc3)c2n1 1857636494 QSPKCOVAHIVZKR-UHFFFAOYSA-N 357.282 4.633 0 1 FJAF Oc1ccc(-c2cc(-c3ccccc3O)c3c(n2)-c2ccccc2[C@@H]3O)cc1 1857748731 GOLAPMFXAAIBKF-DEOSSOPVSA-N 367.404 4.889 0 1 FJAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3ccc(C)cc3)n2c1 95599281 MFPHXRBNBBAOPD-UHFFFAOYSA-N 356.425 4.687 0 3 FJAF CC(C)(C)c1noc(-c2ccsc2)c1C(=O)NCCc1ccc(F)cc1 775557 SUDZXBGBIRXXSK-UHFFFAOYSA-N 372.465 4.812 0 1 FJAF CS(=O)(=O)c1ccc(-c2[nH]c(C(F)(F)F)nc2C2CCCCC2)cc1 3814749 PVZMUNBSYDYWSE-UHFFFAOYSA-N 372.412 4.547 0 1 FJAF CCCCCCn1cc(CC(N)=O)c2cc(-c3ccccc3OC)ccc21 28888297 SWMXADPMZHNNGS-UHFFFAOYSA-N 364.489 4.925 0 1 FJAF CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(O)cc2)oc1=O 36124585 PSMFZJGARFLDCA-UHFFFAOYSA-N 354.427 4.993 0 1 FJAF O=C(NC1CCCC1)c1noc(-c2ccc(C(F)(F)F)cc2)c1Cl 43202835 XDJMSSUIBXVTQT-UHFFFAOYSA-N 358.747 4.686 0 1 FJAF COc1cccc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)c1OC 45390832 LRAAAHJAYCYQAG-NXIGZUMLSA-N 356.418 4.517 0 1 FJAF biogenic,in-vitro O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CCO 84619345 RKMISLYLFXYGMR-UHFFFAOYSA-N 358.747 4.538 0 1 FJAF O=C1O[C@@]2(CCCc3ccccc32)CC(O)=C1SCc1ccccc1 100364317 UWEOGUVTAPKLPD-NRFANRHFSA-N 352.455 4.868 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1ccccc1OC 103529965 MXSOFCRKPKSMBX-HQMFNGAOSA-N 363.417 4.546 0 1 FJAF Oc1ccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)cc1 143112814 ZZGSXADLHBGZJI-UHFFFAOYSA-N 353.385 4.622 0 1 FJAF CN(C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C)c1ccccc1 194846642 QBSLGQKCSOHHBR-NCYKPQTJSA-N 368.908 4.569 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1cc(F)ccc1C3 586988229 HAIFGCOMFLZHGQ-UHFFFAOYSA-N 353.352 4.862 0 1 FJAF O=C1c2ccccc2-c2cc(-c3nc4c(s3)CCC4)nc3ccc(O)c1c23 586993754 NLQZXGNSDDXHCT-UHFFFAOYSA-N 370.433 4.764 0 1 FJAF Fc1cc(Br)cnc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587154717 DINKXTACMWSQAG-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c2cc1Br 587164046 XXQULDKRNIICRW-UHFFFAOYSA-N 361.214 4.588 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccccc3Cl)nc1)O2 587378880 RDQQLOMWUGPPRE-FQEVSTJZSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccccc1Cl)O2 587379796 WTDYJGLAJCXEIY-IBGZPJMESA-N 352.821 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Cl)cccc31)CC2=O 587463628 ZALDUIQRIBGHMG-HXUWFJFHSA-N 358.821 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](c2ccccc2)OC1(C)C 587482274 DLONSBOSMREGKN-REWPJTCUSA-N 366.457 4.989 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cccc(OC)c13)CC2=O 587484895 OLKBLRGDDVHILH-LJQANCHMSA-N 351.402 4.541 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1cccc(C)c1)(c1ccccn1)CC2=O 587492106 WVONGMIBGSAGLF-XMMPIXPASA-N 373.452 4.957 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C(\C)N(C)C)(c1cccs1)CC2=O 587492730 CKVWBZTVJPMYTF-OSJHKOOESA-N 371.502 4.732 0 1 FJAF Cc1c(C=O)c2ccccn2c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587518835 QSKCEPWKKGFWPJ-OAQYLSRUSA-N 359.425 4.646 0 1 FJAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801105 IPIDUPAGLOKYSG-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@H]3CC[C@H]2C3)N1 587819738 MWEOBJNUZVJZFV-FPPRRRHASA-N 352.291 4.774 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587821561 IWGIGMXPXKDUIR-DIFFPNOSSA-N 364.258 4.534 0 1 FJAF CCCOc1ccc(C(=O)n2nc(-c3cccc(F)c3)cc2OCC)cc1 587870657 OZFVXJZXYPAJDE-UHFFFAOYSA-N 368.408 4.565 0 1 FJAF Cc1cccc(C)c1OC[C@H](C)NCc1ccc2c(c1)C(C)(C)NC2(C)C 653766944 KZCYQHSGTVIMFD-SFHVURJKSA-N 366.549 4.934 0 1 FJAF COc1ccc(CCC(=O)c2ccc(OC)c(CC=C(C)C)c2O)cc1 2356726087 WMKWJRILWRWSCV-UHFFFAOYSA-N 354.446 4.734 0 1 FJAF CC[C@H](CO)Oc1cc(NCc2ccccc2F)c2ncn(C(C)C)c2c1 36389267 NCJWLUPKNXOHDR-MRXNPFEDSA-N 371.456 4.518 0 3 FJAF CCCCN(CCCC)C(=O)NC(CC)(C(F)(F)F)C(F)(F)F 3189035 VZNURMWTDPTTBO-UHFFFAOYSA-N 350.347 4.872 0 1 FJAF biogenic Cc1cc2nc(Cc3cccc(Oc4ccccc4)c3)c(=O)[nH]c2cc1C 3899821 GKTZYVNSTJTNBH-UHFFFAOYSA-N 356.425 4.923 0 1 FJAF CC(=O)O[C@@H](C[C@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 5808743 DZAYTXGDCMMRGZ-GZKYOTKSSA-N 372.461 4.590 0 1 FJAF COc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccccc2)c1 13474628 JVJCVRPAUUWRBH-UHFFFAOYSA-N 364.449 4.822 0 1 FJAF CN(C)C[C@H]1C[C@@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 13611467 FXHLGRYCQSRFHY-MUKKUYKPSA-N 374.278 4.730 0 1 FJAF COc1cccc(C(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684923 CCGBEOMIXLDOTG-IBGZPJMESA-N 361.869 4.507 0 1 FJAF CC1(C)CC(=O)[C@H]2C(=Nc3cc4c(cc3[C@H]2c2ccc(F)cc2)OCO4)C1 17525787 SCZNBUSACJWPPT-NHCUHLMSSA-N 365.404 4.778 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2cc([S@](C)=O)ccc21 28571961 RBZDTFXHCQBMRR-PUMRXTBWSA-N 368.329 4.917 0 1 FJAF c1ccc2oc(SCCCCN3CCN(C4CCCCC4)CC3)nc2c1 29134303 OUNADMZDANCSEJ-UHFFFAOYSA-N 373.566 4.650 0 1 FJAF CCOC(=O)c1c(C)nc(SC)nc1-c1cccc(Cl)c1Cl 29312300 ZHPSFNUTMNILJW-UHFFFAOYSA-N 357.262 4.657 0 1 FJAF O=c1[nH]c2cc(Nc3ccc(F)c(F)c3)ccc2n1CC1CCCCC1 40577095 JHBMKMXVDCROIO-UHFFFAOYSA-N 357.404 4.932 0 1 FJAF NC(=O)c1nc(-c2cccc(-c3ccccc3C(F)(F)F)c2)c(Cl)[nH]1 58583431 KRAVWZLJFNCUEV-UHFFFAOYSA-N 365.742 4.515 0 1 FJAF CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)s4)cc(c31)CCC2 59027445 YVNRDJQXCMYKCX-UHFFFAOYSA-N 355.459 4.629 0 1 FJAF CCC(NC(=O)Oc1c(C)cc(C)cc1C)(C(F)(F)F)C(F)(F)F 68573281 BNSPLQZINXKSGW-UHFFFAOYSA-N 357.294 4.974 0 1 FJAF biogenic COc1ccc2c(c1)oc1c(Nc3ccc(Br)cc3)ncnc12 95594857 SPPPLDCSKGQDOZ-UHFFFAOYSA-N 370.206 4.891 0 1 FJAF Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\Sc2ccccc2NC1=O 103172198 KDRGMTUKKDFDDG-BOPFTXTBSA-N 367.861 4.919 0 1 FJAF COc1cccc(Cn2cc(-c3ccc4oc5ccccc5c4c3)nn2)c1 103237276 MVNFEOSKGWXGMK-UHFFFAOYSA-N 355.397 4.901 0 1 FJAF CN(C)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1cccs1 103255800 WSDAIHXSQVCBTQ-UHFFFAOYSA-N 368.506 4.990 0 1 FJAF Cc1cccc(-c2nc3n(n2)[C@H](c2ccccc2)C2=C(O)CCCC2=N3)c1 103541997 OQGXSHABESEUMA-HXUWFJFHSA-N 356.429 4.925 0 1 FJAF Cc1ccc(C(C)(C)O)cc1-c1ccc2cc(NC(=O)C3CC3)ncc2c1 144332815 IPQONXMAQVMTJC-UHFFFAOYSA-N 360.457 4.786 0 1 FJAF COc1cccc(-c2cc(C(=O)N(C)c3cccc(OC)c3)cs2)c1 169351560 WTWIDZNPWLNUBG-UHFFFAOYSA-N 353.443 4.709 0 1 FJAF COC(=O)CC[C@]12[C@@H]3[C@@H](C(C)C)CC[C@@]1(C)[C@@H]1CC[C@@]4(CCC[C@H]42)N3C1 238735496 NTGCSTZYSQEIFW-KRCCOEDOSA-N 359.554 4.645 0 1 FJAF COc1ccc([C@](C)(O)c2nc(-c3ccccc3)nc3ccccc23)cc1 299868155 RAHFMPBJGYLALB-QHCPKHFHSA-N 356.425 4.561 0 1 FJAF Clc1ccc(OCc2nc3cc(Cl)cnc3[nH]2)c(Br)c1 586975971 APLOXDHRYWHBNX-UHFFFAOYSA-N 373.037 4.606 0 1 FJAF Cc1cc(-c2nc3ccnc(C)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144363 JBSOAYQBAVDXEK-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF N[C@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587156106 MFWCVXNGFPGKQX-MGPLVRAMSA-N 369.749 4.716 0 1 FJAF COc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cn1 587164165 OHGPKVLKPQKPPS-NTEUORMPSA-N 351.406 4.756 0 1 FJAF Clc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2c(Cl)n1 587229288 DFXTVNTWWIPTBW-UHFFFAOYSA-N 370.243 4.939 0 1 FJAF CCn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342812 PVXBWYCRSICCGO-IRLDBZIGSA-N 365.404 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3c1[nH]c1c(C)cccc31)CC2=O 587478151 AKJDSOALXQKUQO-HSZRJFAPSA-N 361.441 4.941 0 1 FJAF Cc1ccc([C@@]2(c3nccn3C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587510523 ASEURJJRQHXQBB-XMMPIXPASA-N 372.468 4.516 0 1 FJAF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cc(F)ccc23)cc1 587634261 WRINVOBAAQBUPD-UHFFFAOYSA-N 353.727 4.835 0 1 FJAF Cc1ccc(C)c([C@]2(CC(C)(C)C(=O)O)NCCc3cc(C)c(F)cc32)c1 962297641 KHUAJEJPWFCSNU-QHCPKHFHSA-N 369.480 4.641 0 1 FJAF Cc1cccc([C@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c1 963115395 ADBDHINMLJYJJB-IBGZPJMESA-N 359.256 4.727 0 1 FJAF CCOc1ccccc1NC(=O)CSc1c[nH]c2cccc(Cl)c12 2382222191 MUXXHIXGEHILJW-UHFFFAOYSA-N 360.866 4.951 0 1 FJAF CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(F)cc1 2382247527 GYHIBUFBWWARJZ-UHFFFAOYSA-N 368.496 4.523 0 1 FJAF COc1ccc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC 6031720 HSMDOSKNXLVXIP-GQSHPZAJSA-N 356.418 4.517 0 1 FJAF Clc1ccc(Nc2nnc(Cc3ccncc3)c3c2CCCC3)cc1 13808851 AUVPHBMIZZPXIK-UHFFFAOYSA-N 350.853 4.738 0 1 FJAF COc1ccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc2c1 28711314 MMWFBUZWOHSBOE-UHFFFAOYSA-N 366.549 4.731 0 1 FJAF C[C@H]1C[C@@H]2N(C)C(=O)CC[C@@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 34801438 SYCPRHSKXPRURM-LGUSBTLXSA-N 359.554 4.645 0 1 FJAF COc1ccccc1Sc1nc(Nc2cc(C)[nH]n2)c2ccccc2n1 38463999 CWQTZVUENDFTLF-UHFFFAOYSA-N 363.446 4.565 0 1 FJAF NC(=O)NC(=O)[C@@H](CC1CCCCCC1)c1ccc(Cl)c(Cl)c1 49113015 MQAMSFQGHCGMRE-ZDUSSCGKSA-N 357.281 4.632 0 1 FJAF c1ccc(Sc2nc3nsnc3nc2Sc2ccccc2)cc1 82053087 VQAVCGWUMCNDGQ-UHFFFAOYSA-N 354.485 4.784 0 1 FJAF CC[C@@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2cccc(C)c2)n1 82216800 XGPQPYWJEWVZAE-QGZVFWFLSA-N 374.488 4.592 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(CCc3cc4ccccc4o3)nc2c1 586902623 ARITWPQAXKZQGE-UHFFFAOYSA-N 354.793 4.534 0 1 FJAF CC(C)(C)c1cccc2nc(-c3nc(Cl)cnc3Br)[nH]c12 587005567 KSZBDJKCCJOTSJ-UHFFFAOYSA-N 365.662 4.733 0 1 FJAF Cc1c(Br)cc2nc(-c3csc4c3CCOC4)[nH]c2c1C 587031603 JCHRFKVFEJNLCO-UHFFFAOYSA-N 363.280 4.743 0 1 FJAF Fc1cc(F)c2[nH]c(COc3ccccc3C3SCCS3)nc2c1 587038737 BMEFKIAEMOVEQB-UHFFFAOYSA-N 364.442 4.899 0 1 FJAF Cc1cc(Br)cc2nc(C[C@H](N)c3ccccc3Cl)[nH]c12 587058842 ZWCCSBPGIZZVDM-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Cc1nn(C)c(C)c1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097813 KUSAZXMALQGZLQ-UHFFFAOYSA-N 353.425 4.772 0 1 FJAF COC(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587107150 PBUSMMVXYXTRRR-UHFFFAOYSA-N 365.388 4.900 0 1 FJAF CCCOc1cc2nc(/C=C/c3ccc(N)cc3)[nH]c2cc1Br 587251437 HDTVMOYILXRVEZ-VMPITWQZSA-N 372.266 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(F)c(C(F)(F)F)c1F)O2 587382429 PRTXBHKUVHLYOA-QGZVFWFLSA-N 371.305 4.755 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC(F)F)c1)CC2=O 587465744 KEHSBWSLJFFLCA-GOSISDBHSA-N 362.372 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCCOCc1ccccc1)CC2=O 587478563 GJNMHKNQQKRLGA-KRWDZBQOSA-N 354.446 4.676 0 1 FJAF O=C1C[C@@H](c2cc(F)cc3c2OCCC3)Oc2c1ccc1c2CCCC1 587502227 BVIZFWIVSMCQFU-FQEVSTJZSA-N 352.405 4.736 0 1 FJAF O=C1CC2(C[C@@H]3CC[C@H](C2)N3C2CCCC2)Oc2c1ccc1c2CCCC1 587518137 BNSZYCZDSGHZSM-QRQCMCJISA-N 365.517 4.839 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1sccc1Cl 587614312 RTPKCWXOKIWVLT-WMLDXEAASA-N 358.802 4.810 0 1 FJAF O=C(c1ccc2c(c1)OCO2)c1c(C(F)F)[nH]c2cc(Cl)c(F)cc12 587629049 DNEDRQMLALUZDW-UHFFFAOYSA-N 367.710 4.858 0 1 FJAF C/C=C\[C@]1(c2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587815048 JVAYRQFGCOFFSD-RYAZDPKSSA-N 360.270 4.942 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2CCc3ccccc32)N1 587822553 LFZVKFDRWNNBPW-KOXAJKMWSA-N 360.270 4.894 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)C1CCCCC1 587861792 CRRURWKSCAOUOP-UHFFFAOYSA-N 352.356 4.798 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C12CC3CC(CC(C3)C1)C2 587871642 LQIBXCGNTVCVTB-UHFFFAOYSA-N 368.452 4.945 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)cc1OC 587929607 YPGBUBBQRPFVIO-UHFFFAOYSA-N 374.396 4.643 0 1 FJAF O=C(O)c1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956987 XSJWYNXCXPMYLQ-INIZCTEOSA-N 360.388 4.775 0 1 FJAF Cc1cc(F)c([C@]2(C)NCCc3ccc(F)c(C)c32)cc1Br 962094618 TYQIRUFKNRGHRX-SFHVURJKSA-N 366.249 4.753 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1ccc(-c3ccco3)o1)N(C)[C@H](C)C2 962618140 BPFQJTOEIJSCQS-ZUOKHONESA-N 353.418 4.523 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(C)cc1)C(F)(F)F 963049151 AMUDEGMXMLCDII-HXUWFJFHSA-N 372.390 4.503 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccc(N2CCCC2)nc1F 963234266 VBSNSOILLBRXNK-IIBYNOLFSA-N 353.485 4.567 0 1 FJAF COc1c(C)cccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772574593 ACGKOLSZYGLCCD-QGZVFWFLSA-N 353.443 4.734 0 1 FJAF CCCc1[nH]nc2c1[C@@H](c1ccc(C)cc1)c1c(nc3c(c1N)CCCC3)O2 1772632339 FRKFJZGWSRVWQO-GOSISDBHSA-N 374.488 4.813 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 61926228 ARZBMGWRDXGFTD-GOSISDBHSA-N 363.841 4.867 0 3 FJAF COc1cccc2c(Nc3ccccc3C)nc(NCc3ccco3)nc12 13742281 HGASTWOZOKXNDL-UHFFFAOYSA-N 360.417 4.896 0 1 FJAF Cn1ccnc1Sc1cnc(C(C)(C)C)nc1-c1cc(Cl)ccc1O 29128078 MXQSPMLDUHYZHD-UHFFFAOYSA-N 374.897 4.685 0 1 FJAF Cc1cc(Nc2ccc(N(C)C)c(Cl)c2)c2c(ccc3[nH]cnc32)n1 39214829 GLMQVPZCYCTYDQ-UHFFFAOYSA-N 351.841 4.883 0 1 FJAF COc1ccc2sc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)cc2c1 40846662 LPZMODLAXACSTA-ZSOIEALJSA-N 355.440 4.944 0 1 FJAF Clc1cccc(-n2cc(-c3ccccc3NCc3ccncc3)nn2)c1 40950442 KDXAPWKBYAQWBD-UHFFFAOYSA-N 361.836 4.595 0 1 FJAF CC(C)c1ccc([C@](O)(c2ccc(C(F)(F)F)cc2)c2cncnc2)cc1 72103178 CUHRJNIKOAMGLR-FQEVSTJZSA-N 372.390 4.903 0 1 FJAF COc1cccc(N(C)C(=O)c2ccc(-c3ccccc3OC)s2)c1 95581773 IGXZLUXKELJMJP-UHFFFAOYSA-N 353.443 4.709 0 1 FJAF c1ccc2sc(Oc3ccc4c(CN5CCOCC5)coc4c3)nc2c1 95593164 NHQCIXXCPKITFT-UHFFFAOYSA-N 366.442 4.667 0 1 FJAF Cc1cccc(-c2nc(-c3ccc([S@](C)=O)cc3)[nH]c2-c2ccncc2)c1 96923864 MQMPXSFPENXIAB-HHHXNRCGSA-N 373.481 4.852 0 1 FJAF Clc1ccc([C@]23CCNC[C@]2(Cn2cc4ccccc4n2)C3)cc1Cl 101976425 HRCVSENKVJEEJB-VQTJNVASSA-N 372.299 4.665 0 1 FJAF CCCCCC(=O)CC[C@@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 113169498 UDNUCVYCLQJJBY-ZLNRFVROSA-N 357.538 4.846 0 1 FJAF C[C@@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218973578 FPSDTUMOZJNGET-LEIHUNCNSA-N 355.522 4.659 0 1 FJAF Fc1ccc(F)c(-c2ccc(CN3C4=NCCN4c4ccccc43)cc2)c1 299826744 DWFLLODXQRSTGX-UHFFFAOYSA-N 361.395 4.828 0 1 FJAF Cc1cccc2nc(/C=C/c3ccc(Cl)cc3)nc(NCCN(C)C)c12 299870986 XJVUZIFVLZOLFM-FMIVXFBMSA-N 366.896 4.736 0 1 FJAF Cc1c(-c2nc3c(C)cc(Br)cc3[nH]2)oc2c1[C@H](O)CCC2 586904963 DZZJADBCKUAVJN-GFCCVEGCSA-N 361.239 4.572 0 1 FJAF Cc1nc(Br)sc1-c1nc2ccc(Br)cc2[nH]1 587011153 LJWLLFXGGGZTGF-UHFFFAOYSA-N 373.073 4.520 0 1 FJAF FC(F)(F)CSc1cc(-c2nc3cnc4ccccc4c3[nH]2)ccn1 587093788 UMCSRHNQYCUFGS-UHFFFAOYSA-N 360.364 4.828 0 1 FJAF CCOc1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)ccc1OC(F)F 587130424 LZVDNNGDRLRVIM-XQRVVYSFSA-N 365.767 4.782 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2ccc(F)c(F)c2[nH]1 587189939 FKFOAMOSVITVMV-KRWDZBQOSA-N 373.403 4.797 0 1 FJAF COC(=O)c1cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)o1 587205974 FZXBZYHCXBEAQJ-UHFFFAOYSA-N 369.376 4.801 0 1 FJAF C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359812 ZVKWLWBXIBWFQB-IRLDBZIGSA-N 364.372 4.511 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3c(F)cccc3F)o1)O2 587382759 UPLURDPMFRKRPR-SFHVURJKSA-N 355.340 4.822 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1SC(F)(F)F)[C@@H](C2)C3=O 587418958 BSKKDQXIQPLJLN-YVEFUNNKSA-N 366.360 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@](/C=C1\CCCO1)(c1ccccc1)CC2=O 587483235 FBEPYUVQZFEBRT-IOUNIBQOSA-N 364.441 4.900 0 1 FJAF Cc1ccccc1NC(=O)C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587509570 DHPDKZWHRCGHHB-QHCPKHFHSA-N 363.457 4.627 0 1 FJAF CC[C@@]1(c2ccc3c(c2)OCCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535716 NMLDKVIDTAEKDC-QHCPKHFHSA-N 364.441 4.607 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2[nH]ccc12 587592385 YHSJUEAJKXWCLG-DENIHFKCSA-N 357.365 4.576 0 1 FJAF CC1=CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)CC1 587601800 HTIUXIRIAFVNKX-VQPPSCEASA-N 350.414 4.859 0 1 FJAF Cc1ccc(C2CC3(C2)Oc2ccccc2C(=O)[C@@H]3C(=O)c2ccco2)cc1 587605137 XPMPQYYXEBFGIV-SSSUMRQXSA-N 372.420 4.979 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@H]3CC[C@H]2C3)N1 587819133 LJLAMZPFVKMURF-FPPRRRHASA-N 352.291 4.774 0 1 FJAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4n[nH]c5ccccc45)cc32)[nH]1 653676022 JCHJEABRODPPOZ-BOPFTXTBSA-N 354.413 4.668 0 1 FJAF Cc1cc2c(cc1F)[C@](C)(c1cc(F)cc(Br)c1F)NCC2 962142047 DSKOWYVTYWXQIS-QGZVFWFLSA-N 370.212 4.584 0 1 FJAF CC(=O)c1ccc(OCCCCCCN2CCc3ccccc3C2)cc1O 1857560924 BMNQOCMGOKAYAE-UHFFFAOYSA-N 367.489 4.592 0 1 FJAF CCn1c(C)nc2c(oc3nc(-c4ccccc4)cc(C(F)(F)F)c32)c1=O 1857752047 CTJCRUDENKGTLX-UHFFFAOYSA-N 373.334 4.552 0 1 FJAF COc1ccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 61925832 BERXNKZKGGHPBQ-MRXNPFEDSA-N 365.376 4.919 0 3 FJAF Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)c2ccccc2)s1 13587440 GGCYNGKPFFUEPC-UHFFFAOYSA-N 371.849 4.610 0 1 FJAF CCOC(=O)c1nc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)ns1 13727706 YNAVVXVVOJJUMO-UHFFFAOYSA-N 362.495 4.682 0 1 FJAF C[C@H]1C[C@H]2N(C)C(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26397016 SYCPRHSKXPRURM-HZXDTFASSA-N 359.554 4.645 0 1 FJAF CC(=O)c1c(O)ccc2cc(-c3coc4c(C(C)=O)c(O)ccc34)oc12 28639571 GRJLOMBLCIZOQH-UHFFFAOYSA-N 350.326 4.662 0 1 FJAF O=C(/C=C/NOCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1 37867896 SAALBVNDFAPHAV-ZHACJKMWSA-N 370.861 4.881 0 1 FJAF Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nc(S)nc(O)c32)cc1 100644716 NNPNJLVTDNFTKX-AWEZNQCLSA-N 367.474 4.629 0 1 FJAF Cc1ccc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2Cl)cc1 103194973 MTYCQXWZZWIBGI-IBGZPJMESA-N 354.862 4.975 0 1 FJAF O=c1cc(CN2CCCC2)c2ccc(OCc3cccc(Cl)c3)cc2o1 103244705 IQAXYDKQNDVSOF-UHFFFAOYSA-N 369.848 4.621 0 1 FJAF CC[C@@H](N)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1 150202986 BFIYZNDEFMHINH-CQSZACIVSA-N 350.443 4.525 0 1 FJAF CC(C)Cc1ccc([C@@H](C)C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 299823760 UJCVXWLSXCRHLZ-MRXNPFEDSA-N 364.489 4.534 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)cc(C)c3[nH]2)cc1 586887232 HQUWMYPMSCYICD-PXAZEXFGSA-N 359.267 4.779 0 1 FJAF OCCc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094487 ABHYPQWSGLMORD-UHFFFAOYSA-N 374.284 4.802 0 1 FJAF CCC[C@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105632 BSWYGRXZNVZCNT-INIZCTEOSA-N 359.425 4.893 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 587233229 KWYCDMHZTPSXBG-HOTGVXAUSA-N 355.482 4.603 0 1 FJAF Cc1cc2c(cc1C)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604286 SDVARCOOUMHMRL-QPPBQGQZSA-N 372.420 4.812 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H]2CCCF)N1 587717227 KTNXUWSHANGVCU-CJBNDPTMSA-N 358.270 4.868 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2S)N1 587841735 CHDMQSDNSLRWON-BMLIUANNSA-N 366.299 4.675 0 1 FJAF Cc1nc(-c2ccc(C)n2C)sc1[C@@]1(C)NCCc2c1sc(C)c2C 963011403 PVGPJYIQCFVFPR-HXUWFJFHSA-N 371.575 4.853 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)C[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963105253 MXRCOQQFTZJCJQ-IRLNJFMJSA-N 373.512 4.677 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(C)c1cc(Cl)sc1Cl 963636667 RMZIGUUTJZCYFV-XYZCENFISA-N 372.317 4.870 0 1 FJAF C1=CCCCCN(CC[C@H]2NCCc3c2[nH]c2ccccc32)CCCC1 2356386317 DHONBOQKWNCGKC-JOCHJYFZSA-N 351.538 4.957 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@]21O 2356768732 ULSKENBXGBZRRW-QCGSOXJLSA-N 372.549 4.991 0 1 FJAF C[C@@](O)(c1ccc(F)c(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61907536 DPSPVNJGCCAOIY-HXUWFJFHSA-N 368.408 4.892 0 3 FJAF O[C@]1(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CN2CCC1CC2 13757092 NRFSHENQAHFSKL-VWLOTQADSA-N 355.481 4.934 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 38158324 CAJALTAVRYNFRC-IJVNUPDKSA-N 359.554 4.789 0 1 FJAF O=S(=O)(Cc1[nH]c(-c2ccc(Cl)s2)c[s+]1)c1cccs1 40568616 MXNQUGPRVJCZMV-UHFFFAOYSA-N 362.930 4.775 0 1 FJAF O=C(Cc1ccccc1)Nc1ccc2[nH]nc(/C=C/c3ccccc3)c2c1 49073313 ZXYXKCCIXNHDNE-ACCUITESSA-N 353.425 4.915 0 1 FJAF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccco2)s1 82219716 GRFIQONOIDJALZ-KBPBESRZSA-N 368.506 4.905 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1ccc(Br)cc1O 84739285 FCSCMKRYIQYOGE-UHFFFAOYSA-N 372.671 4.604 0 1 FJAF CC(C)=CCc1ccc([C@@H]2C(=O)O/C(=C\c3ccc(O)cc3)[C@@H]2C)cc1O 222287007 INWBNVWKWLOEKI-BJUKTHHLSA-N 364.441 4.924 0 1 FJAF CN1CCc2cc(NCc3ccccc3)c(O)cc2[C@H](c2ccccc2)C1 299825381 CIGXEMMADCNHCG-QFIPXVFZSA-N 358.485 4.624 0 1 FJAF Cc1c(Br)cc2nc(/C=C3\OC(=O)c4ccccc43)[nH]c2c1C 586906514 NFAPYAGHZVLUPP-NVNXTCNLSA-N 369.218 4.611 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(N)c(O)c4)nc13)-c1ccccc1C2=O 586994946 BULVFPZJBPKHSU-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF Cc1ccc(-c2nc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cs2)o1 587016083 GADLJXOZPNRANB-UHFFFAOYSA-N 351.218 4.957 0 1 FJAF CC/C(C)=C(\N)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338913 SXJDYZCSKYJUEI-PHAUCNBQSA-N 369.436 4.682 0 1 FJAF COc1cccc(-c2cc(/C=C(/C)NCCO)nc3c2oc2ccccc23)c1 587363113 PNGHVHMVJGNGJO-QINSGFPZSA-N 374.440 4.599 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(C(F)(F)F)ccc1Cl)[C@@H](C2)C3=O 587420239 JFVOYASRNSAQNO-YVEFUNNKSA-N 368.738 4.856 0 1 FJAF COc1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1O 587502359 QWBGJQRFPCYIFG-QGZVFWFLSA-N 358.821 4.640 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@H](C1CC1)C2 587603294 LNHUYYGBQNDSOE-WQFQCULDSA-N 350.414 4.693 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724952 MPGICZSYYWDUSF-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726593 YBHBPWINTUVSGM-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@@H](C3CC3)C2)N1 587817338 KGQUADZXHQWLDA-YRILPIOLSA-N 352.291 4.918 0 1 FJAF COc1cc(OC)c2[nH]c(Cc3ccccc3Oc3ccccc3)nc2c1 587951389 ZIDDZFFGFHLKBR-UHFFFAOYSA-N 360.413 4.963 0 1 FJAF COc1ccc2c(c1)[C@](Cc1nc(O)cs1)(C(C)(C)C)N(C(C)C)CC2 962088358 GZTSKTUVHVVHGB-OAQYLSRUSA-N 374.550 4.608 0 1 FJAF C[C@]1(c2cccc3ccccc23)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729917 LASLBZLBSDMGQW-CTNGQTDRSA-N 369.386 4.749 0 1 FJAF Cc1ccc([C@@]2(C3CCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)c1 963030417 QUDAMLAMABDRGS-IQGLISFBSA-N 374.528 4.791 0 1 FJAF CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)nc2ccccc21 1857554855 IVAAVACQBMRZCM-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF FC(F)(F)c1ccc(C[N@@]2C[C@@H]2COc2cccc3cnccc23)cc1 1857742795 AYKSPCUGCZMKGI-NSYGIPOTSA-N 358.363 4.517 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cc(C)nc4noc(N)c34)cc2)c1 1857767879 UFSGCADQVRKELP-UHFFFAOYSA-N 373.416 4.733 0 1 FJAF O=C(Nc1cccc2cnccc12)OCc1ccc(Br)cc1 13608765 ZMLIVZZAOUBPPO-UHFFFAOYSA-N 357.207 4.746 0 1 FJAF CCCCCC(=O)CCCCC[C@H](Cc1cc(O)cc(O)c1)OC(C)=O 14772435 NKOQQNIPHFLJDL-OAQYLSRUSA-N 364.482 4.672 0 1 FJAF biogenic OC[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27728866 ALGCRBNHTFRYNI-FRFYRWIFSA-N 365.517 4.720 0 1 FJAF Cc1nc2ccc(N3C(=O)CS[C@@H]3c3cccc4ccccc34)cc2[nH]1 28652046 SHTVWORPQVNETG-OAQYLSRUSA-N 359.454 4.803 0 1 FJAF COc1cc(/C=C/Cc2cc(O)c3cc(C)oc3c2)cc(OC)c1OC 40566736 LCQFMQSGMSSSFN-FNORWQNLSA-N 354.402 4.729 0 1 FJAF Clc1ccc(Cl)c(CO[C@@H](CCn2cncn2)c2cccs2)c1 71318327 OPHFVISVZYNDPJ-HNNXBMFYSA-N 368.289 4.995 0 1 FJAF Clc1cccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)c1 169307877 BWESNURLQGMKOD-GOSISDBHSA-N 364.836 4.597 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1COCCCc1ccccc1 299804791 WOGCVPJHUOMABS-RGERWHEFSA-N 372.505 4.631 0 1 FJAF O=Cc1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586993974 NGIUWNDWOFMWOS-UHFFFAOYSA-N 357.390 4.693 0 1 FJAF COc1cc(-c2nc3cc(Br)cc(C)c3[nH]2)cc(Cl)c1O 587046414 SQTCRUXKBHVESX-UHFFFAOYSA-N 367.630 4.668 0 1 FJAF Clc1ccc2ccn(Cc3nc4c(Cl)cnc(Cl)c4[nH]3)c2c1 587080044 KPYVVCRJQDRBIP-UHFFFAOYSA-N 351.624 4.921 0 1 FJAF FC(F)(F)CCc1ocnc1-c1nc2ccc(OC(F)(F)F)cc2[nH]1 587091184 BXSBOOCVLWWWKW-UHFFFAOYSA-N 365.233 4.611 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(Cc3ccccc3C(F)(F)F)nc2c1 587098122 NPUYUGMHHRAFIE-UHFFFAOYSA-N 368.742 4.613 0 1 FJAF COc1cc(-c2nc3cc(C)c(Cl)cc3[nH]2)nn1-c1ccccc1F 587156873 UWDKTDGGCDUQDE-UHFFFAOYSA-N 356.788 4.525 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](/C=C/N(C)C)(c1ccc3ccccc3c1)O2 587388164 XCVFJBTVINLKNV-LTDXDOBXSA-N 372.468 4.666 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)cccc1OC(F)F)CC2=O 587467827 UQHOQIYRFMZFCZ-MRXNPFEDSA-N 366.335 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3C)c1)CC2=O 587474197 CLTQTDZPUIZTCL-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)CCC3)CC2=O 587475502 ADADZNVGXXFYHO-NRFANRHFSA-N 352.430 4.549 0 1 FJAF Cc1cccc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc12 587521881 CAVZFRIMYYWHFJ-HXUWFJFHSA-N 359.425 4.834 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ccc(NC(C)=O)cc3)c(CC(=O)O)c2c1 587643625 VSAMGWNOQGIVCW-ZDUSSCGKSA-N 364.445 4.934 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2CCC3)N1 587816692 ZZBDKWSGAHQSIY-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C2CC2)N1 587855490 WAGYMYNIBNJRDE-BMLIUANNSA-N 366.299 4.838 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4c(Cl)ccnc4[nH]3)c2)c1 587933650 UKTWDCQKGYAQAO-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COC(=O)c1cccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587951426 ZQFJYZMXLVYMJH-UHFFFAOYSA-N 358.397 4.733 0 1 FJAF COC(=O)c1cc2[nH]c(/C=C/c3cccc4ccccc34)nc2cc1OC 587969696 VGWJRWDYUNWEFD-ZHACJKMWSA-N 358.397 4.682 0 1 FJAF COc1ccc2c(c1OC)[C@@](C)(C(C)(C)c1ccc(F)cc1)N(C)[C@@H](C)C2 962642432 UPUZATZOMZMJOR-WNSKOXEYSA-N 371.496 4.912 0 1 FJAF Cc1ccnc2c1CCN[C@]2(C)c1ccccc1OCc1ccc(F)cc1 963094649 ZECYZBCHJFUNFN-HSZRJFAPSA-N 362.448 4.517 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCS2)NCCc2c(Cl)cc(Cl)cc21 963102565 DGEHUKVAVNXPCP-SFHVURJKSA-N 366.313 4.887 0 1 FJAF Cc1ccccc1[C@@]1([C@@H]2CCC[C@H]2C(=O)O)NCCc2cc(Cl)ccc21 963381198 RHBOYJWLOGQZMY-NQSCKRDGSA-N 369.892 4.539 0 1 FJAF CCCCCN(CC1CCN(Cc2ccc(Cl)cc2)CC1)C(C)=O 1857764313 ONGBEZQERPDJKG-UHFFFAOYSA-N 350.934 4.591 0 1 FJAF COc1ccc2c(c1)c(-c1nn3cc(-c4ccsc4)nc3s1)cn2C 2382216129 PIWBWVGMOVQWIH-UHFFFAOYSA-N 366.471 4.687 0 1 FJAF CSc1ccc(CN2CC[C@](C)(Oc3ccc(C(C)=O)cc3)C2)cc1 61926424 FGNJITWPCABEDC-NRFANRHFSA-N 355.503 4.655 0 3 FJAF COc1ccc(OCC2=N[C@@H](c3ccccc3)c3ccccc3CN2C)cc1 13600233 LZJXEVKNPXCUIU-DEOSSOPVSA-N 372.468 4.708 0 1 FJAF Cc1cc(C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1 14952182 LMFMPTPURHABEY-UHFFFAOYSA-N 373.869 4.508 0 1 FJAF C/C=C/[C@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@H]2[C@@H](C)CCC[C@@H]12 29220214 ZAWHOLMDNIHGEJ-JTKPRMPXSA-N 351.446 4.610 0 1 FJAF CCc1cccc2ccn(C[C@H](O)CSCCCc3ccccc3)c12 84706253 JUPVCWAKCWOHTG-NRFANRHFSA-N 353.531 4.931 0 1 FJAF O=C(O)c1c(O)cccc1CCc1ccc2nc(-c3ccccc3)oc2c1 95562923 KASOOKAZJOIQDZ-UHFFFAOYSA-N 359.381 4.684 0 1 FJAF O=C(/C=C/CCCCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 96086317 VZDKNTSKFORBBF-MKICQXMISA-N 355.478 4.948 0 1 FJAF COC(=C\C(C)=C\[C@@H]1CCCc2oc3ccc(O)cc3c21)/C=C/C(=O)O 96095394 LWPQRRAIIWETLD-PRQPMXPASA-N 354.402 4.676 0 1 FJAF in-vitro Cc1c(Cl)ccc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586984774 UPWABYHJGHTSOZ-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Cc1ccc(-c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)cc1Cl 587369055 SGWLMCBTBWSYHN-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3c(Br)c[nH]c3c1)O2 587370674 HIQTUJPUDVRVHK-KRWDZBQOSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccccc3)nc3ccccn13)O2 587394503 WRIBASROQJMCTP-LJQANCHMSA-N 369.424 4.598 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cl)cc1C(F)(F)F)[C@@H](C2)C3=O 587421661 QPEQRNAWIICLJH-SJCJKPOMSA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCOc4c(C(C)C)ccc(C)c41)[C@@H](C2)C3=O 587454740 WPOVEIARRGSOJE-GAJHUEQPSA-N 364.441 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(F)c(C)c3[nH]1)CC2=O 587465900 IHSLGMCOKCVPEE-IBGZPJMESA-N 353.393 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3cc(C)c(C)cc31)CC2=O 587486584 LXYNGIMELMHWCY-QFIPXVFZSA-N 352.430 4.605 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)C[C@H](C)CC3)CC2=O 587495683 PTUOMTXRDGPZRD-DIFFPNOSSA-N 357.475 4.633 0 1 FJAF Cc1cc(F)cc2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n[nH]c12 587509524 SMBWJADCKQUQQO-SFHVURJKSA-N 350.393 4.596 0 1 FJAF C[C@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1Cc1ccccc1 587516827 FEHUKVIKHGDILN-XDHUDOTRSA-N 361.485 4.564 0 1 FJAF Cc1cc(F)ccc1[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566763 AZGXLWOHIYUWEM-KNQAVFIVSA-N 364.372 4.717 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](Cc2ccc(F)cc2)N1 587731011 GQXDFDBCFDXOGA-DYZYQPBXSA-N 352.222 4.545 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@@H]2c2ccccc2)N1 587822117 IQZXMVJVJGDUDH-ARIYCQTNSA-N 360.270 4.967 0 1 FJAF CS[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587843911 KTERTAKFUMNQFD-OWRWGESLSA-N 358.320 4.623 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3cc(OC)c(OC)cc3[nH]2)cc1 587936400 KYGXMWXJMCWTGM-JOCHJYFZSA-N 374.440 4.769 0 1 FJAF CCCCCc1cc2c(c3c1[C@H](C)O[C@H](C)O3)[C@@H]1CCC(=O)N1[C@@H](C)O2 2356322565 PIOPAXQEDVOKMS-FQLMCAECSA-N 359.466 4.637 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(C=Cc2ccoc2)[C@@H]2CCC[C@H](C(=O)O)[C@]21C 2356670125 ANOFHMQPLUCEOM-YDSUVKLASA-N 374.477 4.778 0 1 FJAF COc1ccc2c(c1)C[C@]1(C)c3ccccc3C(=O)N(Cc3ccccc3)[C@H]21 36382926 FNBFZBUABUQBMZ-ILBGXUMGSA-N 369.464 4.906 0 3 FJAF N[C@H](Cc1ccc(C(F)(F)F)cc1)c1csc(Nc2ccccn2)n1 61905705 RCUGVTFZYXHGFK-CYBMUJFWSA-N 364.396 4.543 0 3 FJAF CN(C)C(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(-c2ccccc2)cc1 767630 IJFINYZDJLNBGI-GGAORHGYSA-N 370.452 4.534 0 1 FJAF Nc1sc2c(c1C(=O)c1cccc(Br)c1)CCCCC2 13558669 AMYCIUJRLZJRRK-UHFFFAOYSA-N 350.281 4.593 0 1 FJAF CC(=O)Nc1cccc(-c2cncc(Nc3ccc(F)c(Cl)c3)n2)c1 13679244 GXUCGIAWJYEQOX-UHFFFAOYSA-N 356.788 4.638 0 1 FJAF COc1ccc2c(c1)O[C@H]1c3ccc(OC)c(CC=C(C)C)c3OC[C@H]21 15115201 YOKYSHXYBLMBOT-GCJKJVERSA-N 352.430 4.822 0 1 FJAF biogenic CCC[C@H](NC(=O)Cc1ccccc1)c1ccccc1N1CCCCC1 27564079 VYPDKMFMSULMMT-NRFANRHFSA-N 350.506 4.877 0 1 FJAF CCCNC(=O)Oc1cccc2c1-c1cccc3c1[C@H](C2)N(CCC)CC3 38238401 YDWFTGNATPRSQH-IBGZPJMESA-N 364.489 4.717 0 1 FJAF Fc1cccc(-c2ccc3c(c2)C[C@@H](NCc2c[nH]c4cnccc24)C3)c1 45228675 YTMBKGYNJHYPDL-NRFANRHFSA-N 357.432 4.626 0 1 FJAF Cc1cc(C(N)=O)nn1-c1cccc(-c2ccccc2Oc2ccccc2)c1 58592925 UNQDKXANLSGBAK-UHFFFAOYSA-N 369.424 4.739 0 1 FJAF Cc1noc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCCC3)c2)n1 73196954 PNJUVNNWVSPFLR-UHFFFAOYSA-N 359.429 4.784 0 1 FJAF CC[C@@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132770 XEOAYELRNLQUJL-FCEWJHQRSA-N 366.509 4.663 0 1 FJAF C/C=C/c1ccc([C@H]2[C@H]3CNC[C@@H]2N3Cc2cccc(C(F)(F)F)c2)cc1 100109493 RCNAQVZRPCREKB-SVNWFLFJSA-N 372.434 4.678 0 1 FJAF Cc1nn(-c2ccccn2)c2c1[C@@H](c1ccsc1)C1=C(O)CCCC1=N2 102401252 UKWNKJQCSJAAGP-GOSISDBHSA-N 362.458 4.851 0 1 FJAF CC1(C)[C@H](/C=C/Cl)[C@H]1CC(=O)OCc1c(F)c(F)cc(F)c1F 103215981 UCZKEXJPWJCLOO-HIHHVFROSA-N 350.739 4.701 0 1 FJAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2cccc3ccccc23)=N1 169336249 ZDKAJODZVYYAAL-HXUWFJFHSA-N 371.465 4.620 0 1 FJAF CC(C)(C)c1cccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c12 586913941 WOPNLPZRSGZYAJ-UHFFFAOYSA-N 350.462 4.663 0 1 FJAF COc1ccc2nc(-c3nc4c(C)cc(Br)cc4[nH]3)sc2c1 587035105 LNYJNDHLVYLREF-UHFFFAOYSA-N 374.263 4.919 0 1 FJAF O=C1CCc2cc3nc(/C=C\c4cccc(Cl)c4Cl)[nH]c3cc2N1 587053284 BIUHVVDYVGEORI-XQRVVYSFSA-N 358.228 4.925 0 1 FJAF CC(C)[C@@H]1C[C@@]2(CS1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587372545 JPRVUTHWYJPUQI-ZJOUEHCJSA-N 372.461 4.791 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C=C(c3ccccc3)Oc3ccccc31)O2 587409269 RERUUDNTUQSOMD-DEOSSOPVSA-N 369.420 4.871 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(F)(F)F)cc1)CC2=O 587463984 FMALASFDSXOOSP-QGZVFWFLSA-N 366.335 4.950 0 1 FJAF O=C1C[C@H](c2ccc(-n3ccnc3)c(F)c2)Oc2c1ccc1c2CCCC1 587509123 XDXSWAVGTQUVPG-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF CSC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609440 VURJWSXIZWNJML-UZLBHIALSA-N 358.459 4.502 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cs1 587611969 HXVWOECUPVFSKE-CRAIPNDOSA-N 358.802 4.810 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)F)N1 587720274 SHUNUHLXCXFWQC-QGHHPUGFSA-N 370.212 4.631 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2ccn3C)N1 587760622 ZKWSCTCYRXAJQE-JEOXALJRSA-N 373.269 4.704 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587817209 JJTCQUGDRSJXKE-ODXCJYRJSA-N 374.297 4.929 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]3C=C[C@H]2C3)N1 587818541 ILOPIXBKEZRLNQ-XNAUFCNNSA-N 350.275 4.550 0 1 FJAF C[C@H]1c2ccccc2C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824883 ZWBFRFRBPJSGAB-UFYHVXEKSA-N 360.270 4.678 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscc2Cl)N1 587853890 OKTZHRKBXYRLES-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3nc(-c4ccc(Cl)cc4)no3)n1)O2 587874041 OWRQXZRMOHVWQI-UHFFFAOYSA-N 354.728 4.488 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1OC 587927462 UVLBHHHTUOWTDM-SECBINFHSA-N 366.248 4.628 0 1 FJAF Brc1cncc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959246 OGCFISMFQSDCER-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Cc1cc2nc(Nc3ncnc4c3cnn4-c3ccccc3)sc2cc1C 653771362 AZVDRTMIRXLOKE-UHFFFAOYSA-N 372.457 4.786 0 1 FJAF C[C@]1([C@H]2CC2(F)F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963834043 ZTDMYRFPNRKFNO-TZIWHRDSSA-N 368.427 4.763 0 1 FJAF CCCc1ccc(NC(=O)COc2cc(C)nc3ccc(OC)cc23)cc1 1772586029 LGSYHXLETJBVDD-UHFFFAOYSA-N 364.445 4.522 0 1 FJAF CCCOc1ccc2cc(-c3nn(C(C)C)c4ncnc(N)c34)ccc2c1 84672485 NVFPMSWRLJYMJE-UHFFFAOYSA-N 361.449 4.598 0 1 FJAF CC(=O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273132 HRTHNUHQESAVMB-UHFFFAOYSA-N 353.418 4.683 0 1 FJAF Fc1cc2[nH]c(-c3ccnc(Br)c3Cl)nc2cc1Cl 587005394 GYHXPKDVXYIMEN-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1cc2[nH]c(-c3sc4cc(Br)ccc4c3N)nc2c(C)n1 587032214 RWVMRCWGUPFBAX-UHFFFAOYSA-N 373.279 4.801 0 1 FJAF CC(=O)c1ccc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075384 ICFNDAJQNLZUKB-LJQANCHMSA-N 353.853 4.756 0 1 FJAF CC(C)(C)c1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2n1 587080303 ORGWBNKMDPGXLX-CQSZACIVSA-N 367.884 4.633 0 1 FJAF Cc1nc(O)ccc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096035 BWGGPQOMENIPJA-UHFFFAOYSA-N 352.393 4.831 0 1 FJAF COC(=O)c1cc(-c2cc3c4c(cccc4n2)CC3)ccc1Br 587206969 APRUEDSFHQQWOA-UHFFFAOYSA-N 368.230 4.550 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cc(Cl)nc1Cl)O2 587378700 DFSQEADGPRHNSL-LLVKDONJSA-N 357.624 4.639 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)ccc1F)O2 587382881 VIOZWHQRIKTQBY-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(OC)cc1C)CC2=O 587476118 DFNWXTOYJLIVAZ-QFIPXVFZSA-N 354.446 4.851 0 1 FJAF COc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587506536 NFLOJPQTLLHFQI-SFHVURJKSA-N 358.821 4.640 0 1 FJAF CCOC(=O)[C@@H](C1CCCC1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521394 CSRSLDDAJZSOIC-OFNKIYASSA-N 370.489 4.659 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587558173 QYXOQFRQXJSIDR-GHTZIAJQSA-N 368.335 4.682 0 1 FJAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c2ccccc21 587603039 KOTLOPBNOYFZCR-ODMCQALKSA-N 358.393 4.757 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1 587643283 STBPLRDFQPUSPO-DIFFPNOSSA-N 360.454 4.640 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2F)N1 587725752 FTLQPFXTLCUVJK-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cnccc23)N1 587775966 APJNVBDMBMHGOW-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1ccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)cc1 587924969 CRULORRZCJTKRY-UHFFFAOYSA-N 373.408 4.937 0 1 FJAF Clc1ccc2c(c1)CC[C@]21NC2(CC2)Cc2ccc(Br)cc21 961617331 UVFSKQKAZARRAO-IBGZPJMESA-N 374.709 4.971 0 1 FJAF CCOP(=O)(C[C@@]1(C)NCCc2cccc(-c3ccccc3)c21)OCC 962664585 JZXIRLRTPKIOMD-OAQYLSRUSA-N 373.433 4.981 0 1 FJAF Cc1ccoc1C(=O)Nc1csc(-c2cc3ccccc3n2C(=N)O)c1 1772606901 AXDMUHZEFOYWHT-UHFFFAOYSA-N 365.414 4.864 0 1 FJAF CC(C)=CCC[C@]1(C)Oc2cc(O)cc(CCc3ccccc3)c2C[C@@H]1O 1857586265 XQUVUAZOPHFHOJ-ZEQRLZLVSA-N 366.501 4.978 0 1 FJAF CC(=O)Nc1cccc(-c2cn3c(-c4ccc(Cl)cc4)cnc3cn2)c1 1857596863 FBMWRVGGQCXONI-UHFFFAOYSA-N 362.820 4.675 0 1 FJAF O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)ccc21 1857749530 AHQYQIFFRKVOHG-KRWDZBQOSA-N 363.467 4.879 0 1 FJAF O=c1ccc2ccc(OCCCCn3ccnc3-c3ccccc3)cc2o1 1857774071 AAQDSESRZJYMNH-UHFFFAOYSA-N 360.413 4.516 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc4cnccc4c3)oc2c1 1911584230 SXPUWTMMNRXPPS-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=C[C@H]2OCC(C)=C2CCC(C)=CCC[C@@]1(C)O 2356412889 GDTVZODNXRBOIB-YPAWHYETSA-N 362.510 4.631 0 1 FJAF COc1cc([C@@H]2c3cc(OC)c(OC)cc3[C@H](OC)[C@H](C)[C@H]2C)ccc1O 2356827119 HNMLAPIXDGJKHU-DOAMHWHOSA-N 372.461 4.523 0 1 FJAF CCN(CC)c1ccc(NC(=O)c2cc(Cl)ccc2O)c(Cl)c1 2382250806 COEBIXPMRHQLIY-UHFFFAOYSA-N 353.249 4.798 0 1 FJAF COc1cccc(-c2ncn(CCc3ccccc3OC)c2C(C)C)c1 95565967 XTYGRBKRZSYPAT-UHFFFAOYSA-N 350.462 4.933 0 3 FJAF FC(F)(F)c1cccc(-c2nc3c(NCc4ccccn4)nccc3[nH]2)c1 205214274 FOTLAAXGWAFTMG-UHFFFAOYSA-N 369.350 4.651 0 3 FJAF O=C1Nc2cccc3c2[C@]1(CCCCCN1CCc2ccccc2C1)CCC3 13817851 UECFQSURZLIICR-VWLOTQADSA-N 374.528 4.832 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26395136 RPIWNKCKNAVMOS-IHGGMVMOSA-N 359.554 4.739 0 1 FJAF O=C(CCCC1CCN(C(=O)CCC2CCCCC2)CC1)c1ncco1 29126178 OFYUHKXWTJTAPC-UHFFFAOYSA-N 360.498 4.627 0 1 FJAF Cc1ccc(NC(=O)c2ccccc2)cc1Nc1nc(-c2cccnc2)c[nH]1 40393329 FARDRMIPGUAUFZ-UHFFFAOYSA-N 369.428 4.776 0 1 FJAF COc1cc([C@@H](c2ccc3ccccc3c2)n2ccnc2)cc(OC)c1OC 40425137 FBLZGTMSZIDIQF-JOCHJYFZSA-N 374.440 4.700 0 1 FJAF Cc1ccsc1C(=CCCN1CCC[C@H]1C(=O)O)c1sccc1C 45384602 XBTCVKGYDAMJGM-INIZCTEOSA-N 361.532 4.797 0 1 FJAF CC(C)Oc1ccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1 84672129 PCUPMVDOMLPTKI-OAQYLSRUSA-N 371.839 4.946 0 1 FJAF CC(C)Cn1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 143274163 DSZQCRPLNNDNGR-FQEVSTJZSA-N 372.390 4.985 0 1 FJAF O=C1NC[C@@H](c2ccc(C3CCCCC3)cc2)N1c1ccn2ccnc2c1 144171707 SSQDPAQHXXTYHL-FQEVSTJZSA-N 360.461 4.653 0 1 FJAF O[C@@H](CN1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334773 BUGIPFYBCXVFHS-QFIPXVFZSA-N 368.427 4.699 0 1 FJAF Oc1cccc(CN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 299832398 GEHMDYZCOLGOHX-UHFFFAOYSA-N 373.496 4.540 0 1 FJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@@H](C)CCO4)[nH]c3c2)cc1 586916981 JKBWHIGEOKXRFD-DJJJIMSYSA-N 366.417 4.629 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587015031 WAROGBCBHSWDDJ-SECBINFHSA-N 371.384 4.991 0 1 FJAF Oc1nccc2nc(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)[nH]c12 587015321 LXNWLHAVESFSMH-UHFFFAOYSA-N 363.229 4.761 0 1 FJAF CCc1ccc(-c2nc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)cs2)cc1 587016604 YZKPADOKENQGCN-QGZVFWFLSA-N 363.446 4.640 0 1 FJAF Cc1nc2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2cc1Br 587034331 SKKKLMVUMZLIRM-QMMMGPOBSA-N 362.296 4.882 0 1 FJAF OCc1ccc2[nH]c(-c3ccc(COc4ccccc4Cl)o3)nc2c1 587064741 PDIHXMBGEXXPDQ-UHFFFAOYSA-N 354.793 4.548 0 1 FJAF C[C@H](c1nc2cc(Br)cnc2[nH]1)c1ccccc1C(F)(F)F 587096901 DUOBBRJJAVZVTQ-QMMMGPOBSA-N 370.172 4.891 0 1 FJAF Cn1cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(C(F)(F)F)c1 587115358 KZYDGMBJBKQDPU-UHFFFAOYSA-N 369.346 4.818 0 1 FJAF Fc1cc(CCc2nc3ccc(Br)cc3[nH]2)cc(F)c1F 587139885 RIEZTZWMOJUXOR-UHFFFAOYSA-N 355.157 4.528 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2ccc(Br)c(O)c2[nH]1 587156591 WXOPLMIJUWEZHX-LBPRGKRZSA-N 365.202 4.700 0 1 FJAF CSc1ccc2nc(C[C@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204834 MGMLJPSUOGOANW-HNNXBMFYSA-N 363.527 4.767 0 1 FJAF Cc1cc(C)c2[nH]c([C@@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587219734 QEYJCRRAXSANDF-NRFANRHFSA-N 355.441 4.699 0 1 FJAF CCCOc1ccc(Cl)cc1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418526 ITBWTESAKSMHLC-QRWLVFNGSA-N 358.821 4.626 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-n3cccn3)cc1C)CC2=O 587480047 VZQKNKXCYPFQNR-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC1CC1)CC2=O 587482382 SVUJSMDBQNVYAX-OAQYLSRUSA-N 352.430 4.840 0 1 FJAF CC[C@H](C)Sc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533416 SYRKDAAPKPLVPP-ORAYPTAESA-N 368.502 4.953 0 1 FJAF CCN(CC)c1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587535153 IPBGWSYJWNNLCF-QGZVFWFLSA-N 356.491 4.575 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H]2CCCF 587553104 DSBONTMUPBCGOG-XQAUZQBESA-N 356.393 4.642 0 1 FJAF C[C@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573047 VCMOKSXRXZUUSN-WIYYLYMNSA-N 368.335 4.547 0 1 FJAF CC[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600976 DKCRWXAKTPCHQE-OFNKIYASSA-N 360.409 4.745 0 1 FJAF C[C@H](CCc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602348 JKNNHWMFQXBQOC-FBJLLXQBSA-N 374.436 4.991 0 1 FJAF CC(C)=CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603851 RWMGTUZRXPICSK-KNQAVFIVSA-N 350.414 4.859 0 1 FJAF Cc1ccc(F)c([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587714885 GHSMVIKCMQEMDG-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF CCN(CC)CC(C)(C)[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743998 YLVYNMJNRQKHLB-YVEFUNNKSA-N 371.338 4.532 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccccc32)N1 587817051 HOLFAKFBLKZBRQ-BLVKFPJESA-N 360.270 4.702 0 1 FJAF CN(C)CCOc1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1 587922748 ZNTDGBPGEUQQMR-UHFFFAOYSA-N 360.429 4.696 0 1 FJAF Cc1cc(C)c([C@@]2(C)c3ccc(F)cc3C[C@@H]3CCCN32)c(C)c1C=O 963102861 NQBYOAJFVJALKC-WMZHIEFXSA-N 351.465 4.847 0 1 FJAF Fc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1ccc(Cl)cn1 1772623461 ZNZMLWPMMYKOOJ-UHFFFAOYSA-N 355.760 4.681 0 1 FJAF CC[C@H](c1ccccc1)N(C(=O)c1ccccc1)[C@@H](C(N)=O)c1ccccc1 1772638879 DBTWZILMXZOUGY-FGZHOGPDSA-N 372.468 4.507 0 1 FJAF CCCNC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 1857576250 UGWVZDQIYMODES-UHFFFAOYSA-N 369.505 4.628 0 1 FJAF O=C(Nc1ccc2ccccc2n1)c1nn(-c2ccccc2)c2c1CCCC2 1857597012 FOFGZVDDEZWAMM-UHFFFAOYSA-N 368.440 4.552 0 1 FJAF CC(=O)Nc1cccc(Nc2ncc3cc(-c4cccc(N)c4)ccc3n2)c1 1857755252 SEHQIYYVBYIWNK-UHFFFAOYSA-N 369.428 4.581 0 1 FJAF CC(=O)O[C@@H]1O[C@H]2OCC3=C(C)[C@@H]([C@@]4(C)CCCC(C)(C)C4)CC[C@@H]1[C@H]32 1911574041 SCTXNBOBFGMNPV-OOFPILHQSA-N 362.510 4.828 0 1 FJAF COc1cc(-c2ncccc2-c2nc3ccccc3o2)cc(OC)c1OC 1911583779 XGUFAYNSQGVLIZ-UHFFFAOYSA-N 362.385 4.583 0 1 FJAF C[C@@H]1CC[C@@]23C[C@@]4(N=NC[C@@H]4CC[C@@H]2[C@]1(C)CCc1ccoc1)C(=O)O3 2356480084 OJFOBBOSLUSWJP-DNFFZGJFSA-N 356.466 4.565 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@H]2c1ccncn1 13520596 OPZZGUYTLJJHBP-HKZQYKGFSA-N 352.522 4.884 0 1 FJAF O=C(Nc1cc(Cl)ccc1C(=O)O)Nc1ccccc1C(F)(F)F 13531842 PHAGATSOEHSZNZ-UHFFFAOYSA-N 358.703 4.701 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)CCN=C2c1ccccc1C 27559962 JJUXRRJRPDKDAZ-UHFFFAOYSA-N 357.453 4.976 0 1 FJAF Cn1c(-c2ccc(C(F)(F)F)cc2F)nnc1-c1ccccc1Cl 29043514 BBRRTLQPLQIHHX-UHFFFAOYSA-N 355.722 4.960 0 1 FJAF Cc1cccc(C)c1-n1c(/C=C/c2ccccn2)nc2ccccc2c1=O 29480248 LHFPYKIBKIHUDJ-BUHFOSPRSA-N 353.425 4.568 0 1 FJAF COc1cccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)c1 40567314 IPBDOKFYOORKDT-BUHFOSPRSA-N 373.456 4.541 0 1 FJAF CCCCNC(=O)c1cnc(NC2CCCCC2)nc1-c1ccccc1F 82150344 IWNWYXQOBOILGE-UHFFFAOYSA-N 370.472 4.557 0 1 FJAF Oc1ccccc1SC[C@H](O)COc1ccc(-c2ccccc2)cc1 84689317 ONWQXUIIHDQHFG-GOSISDBHSA-N 352.455 4.591 0 1 FJAF O=c1oc2cc(OCCCOc3cccc4ccccc34)ccc2s1 103168243 RRERAJCJPRJPDJ-UHFFFAOYSA-N 352.411 4.856 0 1 FJAF CCO[C@@H](CC(=O)O)c1ccc(O[C@@H]2CCc3c(CC)cccc32)cc1 116390867 PELKJHCCZNGDQR-RTWAWAEBSA-N 354.446 4.868 0 1 FJAF O=C(c1cccc2c(-c3ccc4c(c3)OCO4)cccc12)N1CCCCC1 169349632 KDTSRCQOPPXLQI-UHFFFAOYSA-N 359.425 4.862 0 1 FJAF Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccnc2ncnn12 169352549 INEKPXOCFZWGNJ-UHFFFAOYSA-N 351.413 4.762 0 1 FJAF O=C(NC1CCCCCCC1)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 299836937 NYHMAKHYRRGFOL-PUZFROQSSA-N 362.489 4.928 0 1 FJAF COc1ccccc1/C=C/c1ccccc1N1C(=O)c2ccccc2C1=O 473137259 XMZFRUMCKXAUSH-CCEZHUSRSA-N 355.393 4.666 0 1 FJAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)CC1 586878783 APIHBOAKCGQZEL-HDJSIYSDSA-N 366.465 4.895 0 1 FJAF O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc21 586905047 XPYIEYAPSYNUET-MEBBXXQBSA-N 352.743 4.804 0 1 FJAF CSc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979120 HBXGOUZSXRXBJI-UHFFFAOYSA-N 354.660 4.763 0 1 FJAF Cc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1C 587029229 KJAWWQJCCNYHLL-UHFFFAOYSA-N 359.458 4.701 0 1 FJAF Cc1cncc2nc(-c3ccc(-c4cc(C(=O)O)ccc4F)cc3F)[nH]c12 587138935 WJUJOBUNFHOMKU-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cc3cn[nH]c3cc2[nH]1 587148399 CQGVGGNAWAOVRU-HXUWFJFHSA-N 357.392 4.780 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccccc3C2)[C@@H]1c1ccc(F)cc1 587353874 PHDUCYXYJVKUPU-ISKFKSNPSA-N 374.411 4.818 0 1 FJAF CN(C)/C=C\[C@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501085 FKYOHMTUHSBJOR-OILJVOJPSA-N 365.448 4.641 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587555915 HWDLRWQMEDWPPR-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1F 587556068 IRQJPWUDJUWGMM-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF CC[C@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601790 HRXYZQDDZDHXAH-NFBKMPQASA-N 360.409 4.968 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(F)c2)N1 587733182 PXKHUQHBGJRIPG-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF Cc1ccc2c(c1)[C@@]1(C=CO2)N[C@H](C)Cc2ccc(F)c(Br)c21 587840234 XBIBCRRLZLXCBN-CWTRNNRKSA-N 374.253 4.581 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(S)cc2)N1 587844348 NDDLAAMZJMQEBI-QGHHPUGFSA-N 366.299 4.675 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cc(F)ccc1F 587861533 SOEWSUMHNNTMMT-UHFFFAOYSA-N 354.278 4.845 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(OC)c(Cl)cc2[nH]1 587928232 YWHDYKKDPWHSNA-GFCCVEGCSA-N 360.841 4.784 0 1 FJAF Clc1ccc2c(NCCNc3cc(Cl)nc(Cl)n3)ccnc2c1 653880648 CBHBKOMOFIENOI-UHFFFAOYSA-N 368.655 4.509 0 1 FJAF COc1cccc(-c2cccc([C@H](CC(=O)O)c3ncc(C)s3)c2)c1F 1772608328 INVVDQMSLJAKAR-INIZCTEOSA-N 371.433 4.873 0 1 FJAF O=C(O)c1ccc(-c2ccccc2COc2cc(F)cc(F)c2)cc1O 1857651642 VLAKSXLGOAWYBB-UHFFFAOYSA-N 356.324 4.615 0 1 FJAF O=C1Nc2cccc3c2[C@@]1(CCCCN1CCc2sccc2C1)CCC3 3941384 PSWCYJDXBLJOMH-JOCHJYFZSA-N 366.530 4.503 0 1 FJAF CC(C)(C)c1ccc(-c2cc(Cc3ccc4c(c3)OCCO4)ncn2)cc1 14974053 JXVJBWRJQBMXHZ-UHFFFAOYSA-N 360.457 4.803 0 1 FJAF COC(=O)[C@@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 26718328 SCIFAMUXVONJNS-RUZDIDTESA-N 356.465 4.877 0 1 FJAF COc1ccc2c(c1)c([C@H](C)C(=O)O)c(C)n2Cc1ccc(Cl)cc1 27857349 XAOKFPFUIOEWQJ-LBPRGKRZSA-N 357.837 4.848 0 1 FJAF c1ccc2c(c1)CCN(CCCN1CCC(c3c[nH]c4ccccc34)CC1)C2 34034256 ZHWKHPROAGMAEB-UHFFFAOYSA-N 373.544 4.796 0 1 FJAF O=C(O)c1c(O)c(Cc2cccc(Cl)c2)nc2c3c(ccc12)CCCC3 35087115 FQRQWZLVGMMKEG-UHFFFAOYSA-N 367.832 4.762 0 1 FJAF CN1Cc2cc(-c3cccnn3)ccc2[C@H](c2cc3ccccc3s2)C1 38214753 KIRDSTWSOYAHOS-LJQANCHMSA-N 357.482 4.936 0 1 FJAF COc1ccc(N2O[C@@H](CO)C[C@H]2c2ccc(-c3ccccc3)cc2)cc1 38244466 LEVMIUWXDINKKO-PKTZIBPZSA-N 361.441 4.606 0 1 FJAF Clc1ccc([C@@H](COCc2cccs2)Cn2cncn2)c(Cl)c1 38987504 QAFSMHRWVCSHSK-GFCCVEGCSA-N 368.289 4.647 0 1 FJAF COc1cc(/C=C/Cc2cc(O)c3sccc3c2)cc(OC)c1OC 40565511 VVTHGRNRTJDBEW-GQCTYLIASA-N 356.443 4.889 0 1 FJAF Cc1ccc(-c2csc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)cc1 82192006 LYEZYLGNJUGORQ-IBGZPJMESA-N 369.534 4.536 0 1 FJAF CCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)c(C)c2)cc1Cl 116230327 TXZJTZPBACTXGL-UHFFFAOYSA-N 368.216 4.651 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169323720 MLZFGDUUCSXZHX-HTZLUMBWSA-N 371.565 4.857 0 1 FJAF Fc1ccc([C@H](CC2CNC2)Oc2ccc(OC(F)(F)F)cc2)cc1F 299840467 XCSFWQOZLCRJAK-KRWDZBQOSA-N 373.321 4.593 0 1 FJAF Fc1ccc(Nc2ncnc3sc(Br)cc23)cc1Cl 299864479 RKAOIUASFLPAOD-UHFFFAOYSA-N 358.623 4.990 0 1 FJAF Fc1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1Br 587079258 BWSAFYIVTRCXJU-GFCCVEGCSA-N 367.605 4.794 0 1 FJAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(OC(F)F)cc4)nc3c2)cc1N 587131122 YOJHVMAGRMPCMZ-UHFFFAOYSA-N 366.371 4.663 0 1 FJAF Nc1cc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2cc1N 587163440 IUQGMKBRLOHDCH-JYRVWZFOSA-N 350.422 4.517 0 1 FJAF Cc1ccc(C)c2[nH]c([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc12 587167671 QBWQERORSMUIGI-INIZCTEOSA-N 352.413 4.688 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1ccccc1Cl)O2 587378774 PRGAANSKDYNEEZ-NRFANRHFSA-N 364.832 4.535 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1cccs1)[C@@H](C2)C3=O 587452019 PZIXQXHHVODFHT-JTSKRJEESA-N 362.450 4.642 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3cccc(OC)c3n1)CC2=O 587488735 JDJJREXBIGMBAW-HXUWFJFHSA-N 363.413 4.608 0 1 FJAF CC(C)n1nc(C2CC2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587515413 MMSLSSPUNRCOMN-NRFANRHFSA-N 350.462 4.927 0 1 FJAF Cc1cccc([C@@]2(c3cnc[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587524184 JKPLALGEKAOBSW-XMMPIXPASA-N 372.468 4.814 0 1 FJAF C[C@]1(c2cc(Cl)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612636 KCVDHANSGFHRFX-QFBILLFUSA-N 372.829 4.984 0 1 FJAF CCCc1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587613841 QSYRDECLKZSKTN-LPHOPBHVSA-N 367.426 4.504 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H](CC)c1ccccc1 587871024 XEJOCANIJSVLPU-SFHVURJKSA-N 352.409 4.922 0 1 FJAF O=C(c1cc2c(s1)CCCCC2)n1nc2cc1Oc1ccc(F)cc1-2 587877123 YQRBJUCBVAVRDG-UHFFFAOYSA-N 354.406 4.814 0 1 FJAF COc1ccc(C[C@H](C)c2nc3c(Cl)cnc(Cl)c3[nH]2)cc1OC 587925171 CADIAWTZADMVNV-VIFPVBQESA-N 366.248 4.628 0 1 FJAF Cc1cccc(C)c1CC[C@]1(C2CCC2)NCCc2c(C(=O)O)cccc21 963129932 HBMXUKQNFBGAHG-XMMPIXPASA-N 363.501 4.776 0 1 FJAF Cc1cccc(Cl)c1NC(=O)c1cc(-c2ccc(F)cc2)cnc1N 1857607744 ODGRORWRIPUMHK-UHFFFAOYSA-N 355.800 4.684 0 1 FJAF FC(F)(F)c1ccc(-c2nnc(CN3CCCc4ccccc43)o2)cc1 1857757370 KKLRWCUTEINQHV-UHFFFAOYSA-N 359.351 4.708 0 1 FJAF C1=CCCCCN(CC[C@@H]2NCCc3c2[nH]c2ccccc32)CCCC1 2356386318 DHONBOQKWNCGKC-QFIPXVFZSA-N 351.538 4.957 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@H](c3ccccc3)O[C@H]2CCc2ccccc2)O1 61920925 FUGBLUHWHLQXMH-RBUKOAKNSA-N 364.441 4.713 0 3 FJAF CC(C)CCn1c(SCc2cccc(F)c2)nc2ccsc2c1=O 2925171 NVSVICAJDGWBKT-UHFFFAOYSA-N 362.495 4.936 0 1 FJAF C[C@]12CC=C3[C@@H](CCC4=CC(=O)CC[C@@]43CCSC#N)[C@@H]1CCC2=O 13746629 RCUYUXXIFXLVMF-IDPBPBMLSA-N 355.503 4.592 0 1 FJAF CCCCCc1cccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)c1 14979762 QGJUJJGMTQTLQQ-UHFFFAOYSA-N 366.461 4.937 0 1 FJAF CC(C)(C)c1ccc(OCCCN2CCC(N3CCCCC3)CC2)cc1 40405267 IMNMJGPBEDHBCW-UHFFFAOYSA-N 358.570 4.703 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccsc3)s2)cc(OC)c1OC 40424346 LSSPVRZHYQZRTG-UHFFFAOYSA-N 360.456 4.733 0 1 FJAF CCCc1nc2c(C)cccc2n1Cc1ccc(/C=C/C(=O)OCC)cc1 45245973 OPTYQMLRONXMEE-CCEZHUSRSA-N 362.473 4.922 0 1 FJAF CCO[P@]1(=O)OC(c2ccccc2)=C(Cl)c2ccc(OC)cc21 49052388 QRZCUKJFIZXPBY-QHCPKHFHSA-N 350.738 4.645 0 1 FJAF O=C(Nc1ccnc(Nc2ccccn2)c1)c1c(Cl)cccc1Cl 96282827 LMPPRRPXJXLVSH-UHFFFAOYSA-N 359.216 4.779 0 1 FJAF Oc1ccccc1-c1cc(-c2ccc(Br)cc2)[nH]c(=S)n1 103221263 RSEYDOAEQDGRGN-UHFFFAOYSA-N 359.248 4.941 0 1 FJAF CCNC(=O)c1ccc2nc(-c3ccc(Cl)cc3)c3c(c2c1)NCCC3 103261369 KBNHGKIAHMMUCH-UHFFFAOYSA-N 365.864 4.663 0 1 FJAF COc1cccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)c1 103290531 WKZRDUPEAGDGFZ-UHFFFAOYSA-N 368.396 4.751 0 1 FJAF O=C(O)c1ccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)cc1 144741204 AVODFHQFDZPLNW-FQEVSTJZSA-N 370.326 4.830 0 1 FJAF N[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 169292281 RYSREWLCUBCLSN-VMVMMMHLSA-N 360.545 4.920 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3ccc4ncn(C)c4c3)nc(C)n2)c1 205344379 XENMRUYFHQHYQF-AWEZNQCLSA-N 373.460 4.520 0 1 FJAF COc1oc(CCCCCCCCCCCOC(C)=O)c(C)c(=O)c1C 238773426 HJVSMEVVILSGBU-UHFFFAOYSA-N 366.498 4.882 0 1 FJAF CCN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@H](c3ccccc3)C2)s1 473123590 MEDOXSKRJKAYBL-IBGZPJMESA-N 362.502 4.661 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c1 586982645 NGTVLWXFKIZUNF-UHFFFAOYSA-N 369.140 4.824 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2ccc(OC(C)C)cc2[nH]1 587026175 BDCVBNDGLVNATG-UHFFFAOYSA-N 353.447 4.966 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H]1CCC(=O)[C@H](C4)C1)-c1ccccc1C2=O 587101765 VPWZSNGALPOVNC-KGLIPLIRSA-N 353.421 4.764 0 1 FJAF CCOC(=O)[C@@H]1CCc2nc3cccc4c3c(c2[C@@H]1C)-c1ccccc1C4=O 587105876 GJNJQNBQRYRQGY-ZIAGYGMSSA-N 371.436 4.675 0 1 FJAF O=C1C[C@H](c2cccc(-c3ncccn3)c2)Oc2c1ccc1c2CCCC1 587514164 GZEBYMXWUSVNQD-OAQYLSRUSA-N 356.425 4.729 0 1 FJAF C[C@]1(c2cnn(Cc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517315 KRUDSUCWMQWCMU-XMMPIXPASA-N 372.468 4.691 0 1 FJAF COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527224 VSXGFQSDGQBBTH-QRQCRPRQSA-N 350.458 4.787 0 1 FJAF C[C@@]1(c2ccccc2Cl)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549967 ULWSCSVLLQCKEE-NQIIRXRSSA-N 366.800 4.923 0 1 FJAF Cn1ccc2ccc([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587580520 YLQMEVSGEWNSDF-REWPJTCUSA-N 371.392 4.587 0 1 FJAF C[C@]1(c2cc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587591768 WXDQQCQFLLWNSV-NZQKXSOJSA-N 371.392 4.751 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602293 HPXPKXVQKBWMLZ-SGUSRJAOSA-N 364.441 4.939 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603335 MDIXVDKHAABJOH-OFNKIYASSA-N 358.393 4.504 0 1 FJAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2c(C)cc(Cl)cc12 587624662 QTUASDFFTMJCRY-UHFFFAOYSA-N 355.690 4.961 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccnc(C(F)F)c2)N1 587716104 IHIINKPDAHNPSW-GLEZIHRCSA-N 371.200 4.544 0 1 FJAF CC(C)n1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758305 WNJXAGDRXKFGTR-DIFFPNOSSA-N 351.263 4.594 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(C)cccc2s1 587873131 VCGAMSJLUOYONV-UHFFFAOYSA-N 353.422 4.995 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2ccc(Br)cc2[nH]1 587928750 BYWXBWBJTQNAJT-FZKQIMNGSA-N 357.251 4.779 0 1 FJAF C[C@@]1(c2cc(F)cnc2Cl)NCCc2cc(-c3ccccc3)ccc21 962668828 OAYBFWJUEHDSEI-OAQYLSRUSA-N 352.840 4.950 0 1 FJAF O=C(O)[C@H]1Cc2c(C(F)(F)F)cc(F)cc2C2(CCCCCCCC2)N1 962700051 PPSWKFVWDSUELL-MRXNPFEDSA-N 373.390 4.773 0 1 FJAF O=C(c1nc2ccccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857610657 XDWWBAXVDRKVQA-UHFFFAOYSA-N 373.378 4.602 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=C[C@H]2OCC(C)=C2CCC(C)=CCC[C@]1(C)O 2356412888 GDTVZODNXRBOIB-VSKRKVRLSA-N 362.510 4.631 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccccc3OC(F)F)nc2c1 2382254057 FXPCLIZBZBIFNC-VWLOTQADSA-N 367.288 4.666 0 1 FJAF CC(C)c1cc(-c2[nH]ncc2-c2nc3ccccc3s2)c(O)cc1O 28461162 WOZNLZRFORNBKH-UHFFFAOYSA-N 351.431 4.888 0 1 FJAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2F)oc1C 82175305 XBNRRSXBJRRYLO-UHFFFAOYSA-N 354.429 4.647 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3ccc(OC4CCCCC4)cc3)c12 96168126 NMUPQTSKLNNEGN-UHFFFAOYSA-N 362.477 4.958 0 1 FJAF CC1CCN(Cn2nc(-c3cccs3)n(-c3ccccc3)c2=S)CC1 96910235 CJGGSLVSMSKQJC-UHFFFAOYSA-N 370.547 4.821 0 1 FJAF CC(=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 169372272 SUEPTDAMYWMEOU-IYSZNGAOSA-N 356.506 4.801 0 1 FJAF CN(C)CCN1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 299848859 NNPZGRUMFLDSMT-VJPKZQFOSA-N 359.517 4.845 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)c2)cc1 586898642 RBABZBALEBGNJU-UHFFFAOYSA-N 366.323 4.924 0 1 FJAF COc1cc(/C=C\c2nc3ccc(Cl)nc3[nH]2)ccc1Br 586977450 OXZFAADOEMMFGH-CLTKARDFSA-N 364.630 4.553 0 1 FJAF COc1cccc2c1-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586991486 KMWUSHLCOAKTSX-UHFFFAOYSA-N 365.388 4.732 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-n3cnc4ccccc43)cc1)O2 587390693 NFIXBZPVJWCQLY-JOCHJYFZSA-N 369.424 4.623 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3ccc(Cl)cc13)CC2=O 587459387 CXXPLJVPMPVUIL-KRWDZBQOSA-N 371.820 4.892 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)COCc1ccccc1)CC2=O 587481442 MJAIENXHWPZLNH-QVKFZJNVSA-N 354.446 4.531 0 1 FJAF Cc1ccc2c(c1C)[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605339 YZZODIZDUIWIOI-ZJSXRUAMSA-N 372.420 4.812 0 1 FJAF COC(=O)c1c(Cc2cccc(C(F)(F)F)c2)[nH]c2cc(F)ccc12 587634099 SDDYWRSDZSCSBE-UHFFFAOYSA-N 351.299 4.703 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3[nH]ccc23)N1 587804603 RRZLDQDBUBUJJB-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF Cc1cc2c(cc1C)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587817167 IYNZNPNJCHBTLQ-RBZFPXEDSA-N 374.297 4.929 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Cl)N1 587841750 CJLBBBCMHILBRG-CPFSXVBKSA-N 360.679 4.927 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Cl)N1 587841760 CJLBBBCMHILBRG-FUXBKTLASA-N 360.679 4.927 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)s2)N1 587847927 MUKUSYWMBPGSKY-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3ccc(Br)c(C)c3[nH]2)c1 587929537 BPGJFRFERINILM-NSHDSACASA-N 359.267 4.989 0 1 FJAF FC(F)(F)c1ncc2nc(Cc3ccccc3Oc3ccccc3)nc-2[nH]1 587949250 CPUVYTGTDTYMQP-UHFFFAOYSA-N 370.334 4.706 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@@](CCc2ccccc2)(C2CC2)N1)C(F)(F)F 962759654 CNIGMENIFOXQIP-TZIWHRDSSA-N 373.418 4.570 0 1 FJAF COc1ccc(/C=C\c2nc(C)c3c(c2C)COC(C)(C)O3)cc1OC 2382220415 LZVOMKXZFZPOKU-CLFYSBASSA-N 355.434 4.531 0 1 FJAF Cc1ccc(Cn2c(C)c(CN[C@@H]3CCCC[C@@H]3C)c(C(=O)O)c2C)cc1 6806728 OVYSVTDQIORIII-HRAATJIYSA-N 368.521 4.828 0 1 FJAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2cn[nH]c2)cc1 28890470 TUQSRCGEARZXTR-UHFFFAOYSA-N 361.424 4.885 0 1 FJAF O=C1Nc2ccccc2/C1=C(/c1ccc(F)cc1)c1nc2ccccc2[nH]1 84687675 AFVMIZORDVMCAB-FMQUCBEESA-N 355.372 4.613 0 1 FJAF COc1cccc(CCN(C)C(=O)c2ccc(-c3ccccc3)s2)c1 95584064 YNOLHODSKTXERB-UHFFFAOYSA-N 351.471 4.738 0 1 FJAF CC(C)=CCN1CC[C@@]2(C)c3c(ccc(O)c3Br)C[C@H]1[C@@H]2C 100720055 DOUQADGXCVUBSK-ZUEVXXBESA-N 364.327 4.645 0 1 FJAF c1ccc(CCN[C@@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 103228714 RGYZGJKKKYQJQI-ZEQRLZLVSA-N 357.497 4.808 0 1 FJAF CCOc1ccc(OCc2ccc(C(=O)N(C(C)C)C(C)C)cc2)cc1 473145612 XUQOPKUVUHKWPT-UHFFFAOYSA-N 355.478 4.923 0 1 FJAF O=C1c2ccccc2-c2cc(C(F)(F)C(F)(F)F)nc3ccc(O)c1c23 586987456 WPQCAQUNLMZMSM-UHFFFAOYSA-N 365.257 4.806 0 1 FJAF O=C(O)c1ccc2nc([C@@H](Nc3ccccc3)c3ccccc3F)[nH]c2c1 587149275 KEUUKCQKQHNVMD-IBGZPJMESA-N 361.376 4.602 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(-c3cncnc3)c1)CC2=O 587490919 PZCHKGMMMBKTMT-OAQYLSRUSA-N 360.413 4.508 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(Cl)c1F 587570782 YOHHBNUOQDBRGI-OXJNMPFZSA-N 370.763 4.888 0 1 FJAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)c(C)n1 587624700 RTGUWKFWRYXTFB-UHFFFAOYSA-N 369.774 4.904 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccn(C(C)(C)C)c2)N1 587752145 BYVXCQDMSZAMLO-GTNSWQLSSA-N 365.290 4.768 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccccc23)N1 587758655 RHQLNYSSRAMEQL-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF CCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826982 HQWAILSOBGPTJF-BMLIUANNSA-N 352.247 4.541 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccco1 587859309 VLRLZFHNJCZIFB-UHFFFAOYSA-N 351.189 4.537 0 1 FJAF CC[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 587955631 KDQHCJMZBHXHIB-LLVKDONJSA-N 363.870 4.531 0 1 FJAF CN(C)CCOc1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960445 CHXQNOLJQRLBDM-UHFFFAOYSA-N 371.484 4.761 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(Cl)c1N 963230295 PEHGVXUCFDQDHM-QKKBWIMNSA-N 358.913 4.851 0 1 FJAF NCc1ccc2c(C3(c4c[nH]c5cc(CN)ccc45)CCCCC3)c[nH]c2c1 1772586918 PNOBDBCUVAYEMD-UHFFFAOYSA-N 372.516 4.817 0 1 FJAF CN(CCCc1ccc(C(F)(F)F)cc1F)Cc1ccc2c(c1)OCO2 1857538028 QBXUOOYUEWQLLG-UHFFFAOYSA-N 369.358 4.638 0 1 FJAF CN(C)CCN=c1cc(/C=C/c2cccc(F)c2)[nH]c2ccc(Cl)cc12 2382257714 LVYUUPVRFHJHMZ-SOFGYWHQSA-N 369.871 4.593 0 1 FJAF Clc1ccc2c(c1)-c1nnc(Br)n1-c1ccccc1S2 1000502 QNGKNBIVDWWSJD-UHFFFAOYSA-N 364.655 4.815 0 3 FJAF Cc1cccc(NC(=S)NC2C[C@H]3CCC[C@H](C2)N3CC(C)C)c1C 1369545 HLNWXEIGPRHJFB-RTBURBONSA-N 359.583 4.631 0 1 FJAF CCCCOc1ccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)cc1 3188929 UNYXCKCSVMIAHV-UHFFFAOYSA-N 372.309 4.870 0 1 FJAF biogenic COc1ccc(C(=O)OCC2=CC[C@]3(C)CC[C@@]4(C(C)C)O[C@@]34CC2)cc1 13431970 RURHAFYWBDYJHL-VJBWXMMDSA-N 370.489 4.926 0 1 FJAF biogenic CNC(=O)C(=O)CCCCCCSc1ccc(-c2ccccc2)cc1 13553324 PDVQXITVIPAKQK-UHFFFAOYSA-N 355.503 4.711 0 1 FJAF c1ccc(-c2nnc3c4ccccc4c(OCC4CCCCC4)nn23)cc1 13559968 BKRXHJILYBHJGW-UHFFFAOYSA-N 358.445 4.904 0 1 FJAF C[C@@H](OC(=O)c1ccccc1)[C@@H](OC(=O)c1ccccc1)c1ccccc1 14652127 ZKASYRHNYFCICF-DYESRHJHSA-N 360.409 4.830 0 1 FJAF biogenic c1ccc(Cc2nc3ccc(Nc4ncnc5ccccc45)cc3[nH]2)cc1 29207042 DTDOKRXSUWPVDY-UHFFFAOYSA-N 351.413 4.841 0 1 FJAF O=C(c1ccccc1)N1c2ccccc2[S@](=O)c2ccc(Cl)cc21 72109970 PULVLDVDFQOFGN-XMMPIXPASA-N 353.830 4.799 0 1 FJAF Oc1ccc(-c2ccc3c(-c4ccc(N5CCNCC5)cc4)c[nH]c3c2)cc1 73141300 KOARITDFMAWYET-UHFFFAOYSA-N 369.468 4.617 0 1 FJAF CC(=O)O[C@@H]1C=C(C(=O)O)[C@]2(C)CC[C@H](C)[C@](C)(CCc3ccoc3)[C@H]2C1 85693034 YIWQRXOLZOSKOP-QJKGZNFTSA-N 374.477 4.617 0 1 FJAF biogenic [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c(C)c1Cl 146532315 WCPPKHNLYHIGTP-SJKOYZFVSA-N 368.824 4.783 0 1 FJAF COc1cc(-c2ccc(-c3[nH]nc4c3C(=O)c3ccccc3-4)cc2)ccc1O 169693392 MISULHNMPZDLJW-UHFFFAOYSA-N 368.392 4.669 0 1 FJAF CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@H](C2)N(C)CC3 207865392 NMUGDOOOAXACRK-IBGZPJMESA-N 365.473 4.543 0 1 FJAF in-vitro Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cccc(C(=O)O)c3[nH]2)c1 586882438 TUOHGMKTABWGAW-UHFFFAOYSA-N 370.408 4.776 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 586915975 JJKAUGVAHMMXNL-UZUQRXQVSA-N 371.440 4.636 0 1 FJAF Nc1ccc(-c2ccc3nc(CSCc4ccsc4)[nH]c3c2)cc1N 587026084 RAYQDFJGRWHEEY-UHFFFAOYSA-N 366.515 4.889 0 1 FJAF N[C@@H](c1ccsc1)c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587026211 VUXJCAGJXFORQA-JTQLQIEISA-N 365.302 4.710 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587066847 SQRZOSPSVUXQSU-SECBINFHSA-N 366.751 4.986 0 1 FJAF CC(C)n1ccc(Cc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587103970 CQGBZUIEOOZVDG-UHFFFAOYSA-N 353.425 4.814 0 1 FJAF Cc1cnc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc2c1 587128324 JNVLFYNWIVKWDY-ZCFIWIBFSA-N 361.730 4.601 0 1 FJAF Cc1ccccc1[C@]1(C2CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604363 VXEWBPMGIMVVAT-QPPBQGQZSA-N 372.420 4.968 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)c(O)c2)N1 587696477 ULEORTITAOXWBK-ZKANADHPSA-N 370.649 4.571 0 1 FJAF Cc1ccccc1OC[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587800655 HHOQIPZTOHYQRS-SJCJKPOMSA-N 364.258 4.551 0 1 FJAF Cc1cccc(OC[C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803809 XZUMMZXASOMMKK-MLGOLLRUSA-N 364.258 4.551 0 1 FJAF CC1=C[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2C[C@@H]1C2(C)C 587818055 PDOQBNUIBQOQMQ-KNNTWTGDSA-N 364.302 4.940 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1ccc(OC(F)F)c(OC(F)F)c1)NCC2 962303138 VDPMAZTXYPVNBU-MRXNPFEDSA-N 373.321 4.572 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(-c2ccccn2)cc1 963066025 LCGLCBVQSRPOIF-QHCPKHFHSA-N 367.452 4.541 0 1 FJAF COc1ccc(-c2ccc(F)cc2)cc1[C@H](CC(=O)O)c1ncc(C)s1 1772608201 UGPDGYWEQJEIJE-KRWDZBQOSA-N 371.433 4.873 0 1 FJAF CC(=O)N1c2ccc(-c3ccsc3)cc2[C@H](NC(=O)OC(C)C)C[C@@H]1C 1857639715 VDHPCDUFNMXSRQ-SCLBCKFNSA-N 372.490 4.736 0 1 FJAF O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)O[C@H]1CN2CCC1CC2 1911586307 OUUOAZNFNHOROT-IBGZPJMESA-N 374.843 4.789 0 1 FJAF CCCc1nnc(C[C@@H]2C[C@@H](C(C)C)[C@@H](CNc3cccnc3)C=C2C)o1 2356313521 GVMOORQLVJAWAE-NSHGMRRFSA-N 368.525 4.926 0 1 FJAF CC[C@@H](O)[C@@H](O)CC=CCC=CCC=CCC=CCC=CCCC(=O)O 2356695995 FFXKPSNQCPNORO-RTWAWAEBSA-N 362.510 4.715 0 1 FJAF Nc1ccc2c(Cl)c(C(=O)Nc3nc4ccccc4s3)sc2c1 2382238840 XBJTXHQBHDKUHM-UHFFFAOYSA-N 359.863 4.999 0 1 FJAF COc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NC1CCCCC1 775598 SEDPAJRJMWAIOD-UHFFFAOYSA-N 356.466 4.710 0 1 FJAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCc1ccccc1F 775920 WVFBOWRAKUXRKS-UHFFFAOYSA-N 366.436 4.751 0 1 FJAF O=C1Nc2ccc(Cl)cc2C(c2ccccc2)=N[C@@H]1Cc1ccccc1 2007529 NNOKMWGSDMXUQB-HXUWFJFHSA-N 360.844 4.741 0 1 FJAF O=c1c2ccccc2c(-c2ccccc2)nn1CCCCCCn1ccnc1 13600462 CTDSGHSTBORQOC-UHFFFAOYSA-N 372.472 4.521 0 1 FJAF C[C@H]1N=C(S)N(Nc2cccc(Br)c2)[C@H]1c1ccccc1 29335562 IXLMOBLDCWHKDJ-IAQYHMDHSA-N 362.296 4.507 0 1 FJAF CCC[C@H]1CCCC[C@H]1NC(=O)C1(C[C@@H](CCC)C(=O)O)CCCC1 34803439 BUCJOPVIFDLZCA-RCCFBDPRSA-N 351.531 4.913 0 1 FJAF C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O 59615042 FPOGVZINQXODPA-HTXNQAPBSA-N 367.489 4.556 0 1 FJAF CCC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100809426 JVJYOCYVDQOIIM-OSTCCCEUSA-N 350.289 4.839 0 1 FJAF O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)c1[nH]c3ccccc3c1[C@@H]1CCCC[C@@H]21 102986255 YQDIZAHKTNEAGG-WWEWDKITSA-N 370.452 4.729 0 1 FJAF FC(F)(F)Oc1cc(-c2cccnc2)c2[nH]c(-c3ccccn3)nc2c1 113263019 LZCLXSWMGVLSBC-UHFFFAOYSA-N 356.307 4.586 0 1 FJAF Cc1ccc2[nH]c3c(c2c1)CN(CCCC(=O)c1ccc(F)cc1)CC3 164395034 NQOAROIMLDFOML-UHFFFAOYSA-N 350.437 4.637 0 1 FJAF C[C@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C 164941442 QOZYMUQOKYGGAL-GFCCVEGCSA-N 364.470 4.738 0 1 FJAF Cc1ccc(-c2c(CC(=O)O)c(C)nc3ccc(Br)cc23)cc1 169334478 LNZAPJCSQKWEOU-UHFFFAOYSA-N 370.246 4.908 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C)c(Br)cc3[nH]2)cc1 586885846 DFYSPFRSSIDSPF-SJCJKPOMSA-N 359.267 4.779 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 586895016 KXSGNTUNULTXNT-UHFFFAOYSA-N 372.321 4.946 0 1 FJAF Cc1c(Br)cc2[nH]c(-c3ccc(Br)o3)nc2c1C 587007925 QARXDOKNTJRXQC-UHFFFAOYSA-N 370.044 4.965 0 1 FJAF COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2cn1 587031223 PNCNYNVFPOAHSO-LBPRGKRZSA-N 364.474 4.926 0 1 FJAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2c1 587083713 HSAGFWYAFQDHFK-GOSISDBHSA-N 363.808 4.669 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)CN(C1CCCC1)CC3 587105270 VXSMDCLAMYSCER-UHFFFAOYSA-N 354.453 4.747 0 1 FJAF C[C@@H]1CCc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587535089 ICDKXOBXELRFAD-XIKOKIGWSA-N 353.487 4.853 0 1 FJAF CC[C@]1(c2ccc(C)o2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587832167 ZBCKWYHQFPUXTH-DYZYQPBXSA-N 352.247 4.677 0 1 FJAF O=C(O)CCCCCCCCCCCCc1nc2ccc(CO)cc2[nH]1 587957816 WFDUKJPBXBHDIW-UHFFFAOYSA-N 360.498 4.973 0 1 FJAF COc1ccc(Br)cc1CN(C)C12CC3CC(CC(C3)C1)C2 1857550837 NEIZBNICQPBBFV-UHFFFAOYSA-N 364.327 4.858 0 1 FJAF CCNC(=O)c1cnc2ccc(OCc3ccccc3)cc2c1SCC 1857748831 LMUAAFWXXHYLRA-UHFFFAOYSA-N 366.486 4.676 0 1 FJAF CC(=O)c1cc2c(s1)CCCC1=C2NN(c2ccc(Cl)cc2)C(=O)C1 26378663 XQUJTESAXUTXNH-UHFFFAOYSA-N 372.877 4.593 0 1 FJAF CC(C)(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1 36126649 YQNDWHKGOQHVNT-IBGZPJMESA-N 357.400 4.683 0 1 FJAF CN1Cc2cc(-c3cccnn3)ccc2[C@@H](c2cc3ccccc3s2)C1 38214754 KIRDSTWSOYAHOS-IBGZPJMESA-N 357.482 4.936 0 1 FJAF Cc1nc(-c2ccccn2)nc(NCCc2ccccc2Cl)c1Cl 40897908 LYFDMRFVCJJAIV-UHFFFAOYSA-N 359.260 4.808 0 1 FJAF Fc1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2[C@@H]2CCCN2)cc1 43059578 ZQQZKKTVLQYQNH-KRWDZBQOSA-N 374.419 4.981 0 1 FJAF CC[C@@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 82146177 URKYGETTWBGAHP-MRXNPFEDSA-N 366.509 4.725 0 1 FJAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@@H](C)CC 82179709 LOAOSTZRRVWDQF-HNNXBMFYSA-N 369.488 4.619 0 1 FJAF CC(C)Oc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 116230815 QYKQJKMDSDBOCB-UHFFFAOYSA-N 368.216 4.731 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 253795228 ZVYVEQWQWNSQIJ-HZEGPAAWSA-N 369.892 4.820 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cc(OCCN(C)C)ccc4[nH]3)cc2)o1 586902314 DKIWYMFJMZXXEL-UHFFFAOYSA-N 361.445 4.739 0 1 FJAF Clc1nccc(-c2nc3cnc4ccccc4c3[nH]2)c1Br 586979024 FKVUPUOMKOTCLN-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CC(C)C[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989959 GWVVCXNPXDXFJZ-ZDUSSCGKSA-N 371.436 4.797 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@@H](O)c3ccccc3Cl)[nH]c2c1 587059270 NFTDLYNXOIXCJL-FQEVSTJZSA-N 362.816 4.529 0 1 FJAF COc1ccc(NC(C)(C)c2nc3ccc(Br)cc3[nH]2)cc1 587201148 HRMDJZJMODYCAC-UHFFFAOYSA-N 360.255 4.681 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1ccccc1Cl)O2 587379945 YPOZXFBRKFJGPT-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF Cc1ccc(Oc2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394081 QHTHWSOCJWCAPX-FQEVSTJZSA-N 360.413 4.779 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(CC14CC5CC(CC(C5)C1)C4)[C@@H](C2)C3=O 587444630 FIAMZHIFJJRUMO-HOLKKFDFSA-N 352.474 4.808 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccsc1Cl 587611647 HHXHIMNHQDSGJB-YOEHRIQHSA-N 358.802 4.810 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(Cl)c2)N1 587705856 ZRZWTHDIJIOTLW-XXFAHNHDSA-N 354.650 4.865 0 1 FJAF COc1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc(OC)c1O 587786395 TUPOGCZNSWLBSL-UHFFFAOYSA-N 372.730 4.625 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817545 MDFMPCLZHMTPDD-NCSAXHRDSA-N 352.291 4.774 0 1 FJAF CCc1cc(C(=O)O)c2c(C3CCCC3)nn(-c3ccc(Cl)cc3)c2n1 1857550217 FPMDGOXVQURQRE-UHFFFAOYSA-N 369.852 4.992 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@H]1Cc1ccc(O)cc1 1857644172 LRLMHQQHQJFWNM-LJQANCHMSA-N 350.458 4.949 0 1 FJAF Cc1cccc(-c2c[nH]c3ccc(-c4cncc(NCCN(C)C)n4)cc23)c1 1857753021 JWYMKPOZFIRRBB-UHFFFAOYSA-N 371.488 4.574 0 1 FJAF CCc1ccc([C@H]2c3[nH]c4ccccc4c(=O)c3CN2c2ccccn2)s1 1857753602 YRLVYYTXZPEBCJ-NRFANRHFSA-N 373.481 4.657 0 1 FJAF CC=Cc1cc2c(cc1OC)O[C@@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 2356402962 VYLKLOAVECRURJ-YEJXKQKISA-N 370.445 4.991 0 1 FJAF CC(=O)O[C@@H]1CC(C)=CCC=C2C(=O)OC[C@@H]2[C@@H]1[C@H](C)CCC=C(C)C 2356634719 MFANFVLPLDXKAO-RCOXNQKVSA-N 360.494 4.756 0 1 FJAF c1ccc([C@@H]2c3ccccc3-n3nncc3CN2CC2CCCCC2)cc1 61943093 BBLHNNXTZCTYMQ-HSZRJFAPSA-N 358.489 4.753 0 3 FJAF O=C(CCCCOc1ccc(C2=NCCO2)cc1)c1ccc(Cl)s1 27647641 IUSSDDDRONVHBY-UHFFFAOYSA-N 363.866 4.610 0 1 FJAF O=C1/C(=C/c2cccc(Oc3ccccc3)c2)N=C2SCCCCN12 38307097 MVJJGIOLTJZDSD-JXAWBTAJSA-N 350.443 4.545 0 1 FJAF COc1c(C)cc2c(c1CC=C(C)C)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 43015679 AUTKSCVETOWBRA-GHTZIAJQSA-N 352.430 4.828 0 1 FJAF biogenic CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 58528441 OGPGSYNCKSLJOF-JWZBEHFJSA-N 368.951 4.949 0 1 FJAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Br 72101335 GUCUVVUQLSZNSI-SFHVURJKSA-N 374.665 4.782 0 1 FJAF Cn1ccc2cc(-c3ccc4oc(N5Cc6ccncc6C5)nc4c3)ccc21 149417463 DDGCPPCBGPLVKX-UHFFFAOYSA-N 366.424 4.902 0 1 FJAF Brc1ccc2cc(-c3nc4ccc5ncccc5c4[nH]3)cn2c1 587006078 GSADBZPKXJINRP-UHFFFAOYSA-N 363.218 4.793 0 1 FJAF Fc1cccc2c(-c3nc4c(OCc5ccccc5)cccc4[nH]3)n[nH]c12 587176466 LIALLXYERLNMKH-UHFFFAOYSA-N 358.376 4.824 0 1 FJAF C[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587351364 JOOAPBIHMBLVHY-QQFWFLOESA-N 374.411 4.978 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](C)c3c(Br)cccc31)O2 587370692 HJWYZKAIQADBES-JEOXALJRSA-N 372.262 4.708 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccsc32)[C@H]1c1ccc(F)cc1 587370954 CVFOFDKOFQYSDP-RXVVDRJESA-N 366.413 4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cnn(-c3ccc4ccccc4c3)c1)O2 587393163 ZAWYHTGHHSVTHC-QFIPXVFZSA-N 369.424 4.623 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc3c1OCC3)CC2=O 587459312 CFMMXEQCTDYWQV-SFHVURJKSA-N 358.821 4.640 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(C)ccc3nc1O)CC2=O 587489490 MKLJRUNUKUGFFG-FQEVSTJZSA-N 363.413 4.613 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc3c(c1)CCO3)CC2=O 587491726 PIUUWLVSEIHTRN-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF CC(=O)[C@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499940 KGLQZQHORXXHKC-NRFANRHFSA-N 354.833 4.669 0 1 FJAF O=C1C[C@@H](c2ccccc2OCC(F)F)Oc2c1ccc1c2CCCC1 587504655 JSCCIHKGANUABP-IBGZPJMESA-N 358.384 4.916 0 1 FJAF CC1(C)[C@H]2CC[C@]3(Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[C@@H]1C2 587604245 RROAJGKSXODTCD-PLKIMXQSSA-N 350.414 4.549 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615039 VDQDDUUKKBVAHC-YLJYHZDGSA-N 352.411 4.639 0 1 FJAF CC(C)O[C@@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813577 VNVPKWVKFYUJJS-ONUMYQOESA-N 370.306 4.541 0 1 FJAF Cc1cc2c(cc1C)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587817170 IYNZNPNJCHBTLQ-ZUOKHONESA-N 374.297 4.929 0 1 FJAF COc1cccc(CCc2nc3cc(Cl)cc(Br)c3[nH]2)c1 587931909 QSQNAAKUCHAYJP-UHFFFAOYSA-N 365.658 4.773 0 1 FJAF Cc1cc2c(cc1F)[C@@]1(CCOc3cc(Cl)cc(Cl)c31)NCC2 962295251 CWZCENPMXYEFCR-GOSISDBHSA-N 352.236 4.613 0 1 FJAF C[C@@]1(c2ccc(F)cc2Br)NCCc2cc(Cl)ccc21 963390874 NXVSGSIABNWMTP-MRXNPFEDSA-N 354.650 4.651 0 1 FJAF CCc1cc(C(=O)O)c2c(C(CC)CC)nn(-c3ccc(F)cc3)c2n1 1857541951 IJUSQKANLCHLHY-UHFFFAOYSA-N 355.413 4.724 0 1 FJAF CCNCc1cncc(-c2ccc3[nH]nc(-c4cc5ccccc5[nH]4)c3c2)c1 2382249467 VBIFDVXGPKBFPQ-UHFFFAOYSA-N 367.456 4.883 0 1 FJAF COc1ccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)cc1 8611604 ZBDCLPKKCCQRAL-UHFFFAOYSA-N 372.424 4.874 0 1 FJAF O=C1S/C(=C\c2ccsc2)C(=O)N1C(=O)c1ccc2ccccc2c1 13479493 HYSMWBSKJHSHHP-SXGWCWSVSA-N 365.435 4.778 0 1 FJAF CS(=O)(=O)c1ccc(-c2cc3c(cc2C=C2CCCCC2)OCO3)cc1 13530397 LACBINJSDGZDKB-UHFFFAOYSA-N 370.470 4.833 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@H](C)[C@@H](C)C4=O)OC(C)(C)C=C3 14681733 QOFDITUHNAYYJC-VXGBXAGGSA-N 368.429 4.529 0 1 FJAF biogenic CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC1CCN(Cc3ccc(F)cc3F)CC1)C2 40976314 VCOOTZBAKHCZJY-CNDZOEFASA-N 362.508 4.734 0 1 FJAF Fc1cccc(Cl)c1[C@@H]1C[C@@H](c2ccccc2Cl)Nc2ncnn21 72112198 LWLDLZPALRVJPC-GJZGRUSLSA-N 363.223 4.870 0 1 FJAF Cc1ncc(CO)c2c(Nc3ccccc3)c(NCc3ccccc3)oc12 95575140 LCAHLFBLZDITHD-UHFFFAOYSA-N 359.429 4.984 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)[C@H](C)C1(Cl)Cl 103272529 FQNRASSQPGZQOB-XPTSAGLGSA-N 369.119 4.872 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cc2ccccc2[nH]1 116159373 VEABQGOOVLORQN-LLVKDONJSA-N 363.244 4.558 0 1 FJAF COC(=O)N1C[C@@H]2[C@@H]1[C@H]1[C@@H]3C[C@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]21 195500028 FZZYGBFGNWPQRI-ULGHJEHQSA-N 357.453 4.560 0 1 FJAF Oc1c(Br)ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c12 587110987 HNWMNQGDCKJLJF-UHFFFAOYSA-N 357.129 4.717 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(C(C)(C)C)c2[nH]1 587116551 HJZBNVLRVUVKSP-UHFFFAOYSA-N 356.779 4.933 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccnc(Cl)c3[nH]2)c1 587159057 LSVWFPZIXYRNFK-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173359 BZNGKECTCCYIIW-FQEVSTJZSA-N 358.372 4.609 0 1 FJAF Cc1cccnc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338952 PGKYNKSFNRSOJL-DENIHFKCSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Cl)ccc(C)c3n1)O2 587380231 RAOYCJFBDBKLEK-GOSISDBHSA-N 352.821 4.794 0 1 FJAF Cc1cc(-c2ccc(F)nc2)cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587386077 HUPPFHCMPRMIDW-FQEVSTJZSA-N 362.404 4.793 0 1 FJAF COc1cc2c3c(c1)O[C@]1(c4ccccc4-c4cc(F)ccc41)[C@@H](C2)C3=O 587428640 PHFZLSNDMJJNNE-CVDCTZTESA-N 358.368 4.506 0 1 FJAF CC(=O)c1cccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587504658 MVNFDBSZXPXLTP-KRWDZBQOSA-N 366.432 4.874 0 1 FJAF CC[C@H](C)Sc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587533414 SYRKDAAPKPLVPP-DJJJIMSYSA-N 368.502 4.953 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587718279 IHHOPZIEPZARIQ-NIVTXAMTSA-N 366.249 4.968 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587748324 WFXKYCJKBJHJDI-BBATYDOGSA-N 359.242 4.937 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnccc3c2)N1 587777950 KCEUTOQRYQXCCA-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H](Oc1ccc2c(c1)CCC2)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874149 VTZWSVDBKQIBCG-LBPRGKRZSA-N 364.376 4.391 0 1 FJAF CCOC(=O)c1cc(C)n(-c2cnc3cc(Br)ccc3c2)c1C 587939264 JKHRHMORJJYJDO-UHFFFAOYSA-N 373.250 4.582 0 1 FJAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@@]12c1ccc(F)cc1C[C@@H]1CCCN12 963103410 LBLRKFKTEOHWLS-BZVKRPRLSA-N 364.508 4.584 0 1 FJAF CCCN1[C@H](c2ccccc2OCCCOC)c2ccccc2C[C@H]1C 963243062 RHXSOCGYXPLDTN-JPYJTQIMSA-N 353.506 4.848 0 1 FJAF CCCCCCOC(=O)Nc1ccc(NCc2ccc(F)cc2)nc1N 1772648595 GBGOLZBCTGKYRE-UHFFFAOYSA-N 360.433 4.544 0 1 FJAF CCN(Cc1cccc(OC)c1)C(=O)Cn1c2ccccc2c2ccccc21 1857541187 WDZXMBZCIHQEMM-UHFFFAOYSA-N 372.468 4.852 0 1 FJAF Cc1cccc(C(=O)n2cc(CN(C)c3ccccc3)c3cccnc32)c1 1857655127 FVQKCDAHUQUNRQ-UHFFFAOYSA-N 355.441 4.670 0 1 FJAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@@]12C 2356682237 PDKQWVGVSXAXRB-FJPJKQDZSA-N 374.565 4.800 0 1 FJAF CC(C)(C)c1ccc(C(C)(C)C)c(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)c1 6040188 RSTSNKZFTDWTIK-HDCSMFLBSA-N 365.517 4.983 0 1 FJAF COc1c(Cl)cc2c(c1Cl)Cc1ccccc1CCN(C)CC2 13684106 MYFHADFSNRZMLH-UHFFFAOYSA-N 350.289 4.623 0 1 FJAF COc1cc(OC)c2c(c1)[C@H]1CCCN1C[C@H]2c1ccc(SC)cc1 26668199 NHDJBCIYLBSYIT-RBUKOAKNSA-N 355.503 4.708 0 1 FJAF CCCC(CCC)C(=O)Nc1ccc(CC(=O)Nc2ccccc2N)cc1 27526631 HBZFXBWSDJMSMT-UHFFFAOYSA-N 367.493 4.605 0 1 FJAF OC[C@@H]1CCCN(CCCCOc2ccccc2/C=C/c2ccccc2)C1 27728859 ALGCRBNHTFRYNI-JXVRESAISA-N 365.517 4.720 0 1 FJAF CCCN(CC1CC1)c1cc(C(=O)c2c(C)cc(C)cc2C)nc(C)n1 28368408 ZJHMAIIBUCZFIP-UHFFFAOYSA-N 351.494 4.568 0 1 FJAF COc1cc(-c2ccccc2-c2ccc(C(=O)O)cc2)cc(OC)c1OC 28460503 HVPFTTLRGUKXMX-UHFFFAOYSA-N 364.397 4.745 0 1 FJAF C[C@H](Oc1cc(-c2cnoc2)cnc1N)c1c(Cl)ccc(F)c1Cl 72184038 UCMZYCZLKJBNGS-QMMMGPOBSA-N 368.195 4.905 0 1 FJAF CCc1c([C@@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O 169352252 MZCZKFORVYIQJF-NSHDSACASA-N 364.461 4.797 0 1 FJAF COc1ccc(-c2nnc(-c3ccc4nc(C5=CCCC5)[nH]c4c3)o2)cc1 586883464 JWKFFYOSWGDFED-UHFFFAOYSA-N 358.401 4.856 0 1 FJAF Nc1cc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2cc1N 587122983 APSIVMJANICJMU-UTCJRWHESA-N 350.369 4.510 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2ccc(Br)c(O)c2[nH]1 587156590 WXOPLMIJUWEZHX-GFCCVEGCSA-N 365.202 4.700 0 1 FJAF CS[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587371690 CUKLBQWBUFNNGV-SFHLNBCPSA-N 372.461 4.935 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(Br)c1)O2 587377265 LXNOWTNZSMDLNA-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(Cl)cc1)[C@@H](C2)C3=O 587421759 MXDNAJSTCUVVFC-KKSFZXQISA-N 365.816 4.628 0 1 FJAF CCCCCCN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512505 DOENYRBTHWQOTR-UHFFFAOYSA-N 355.522 4.946 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc3ccccc3c12 587527273 UKBDAXWOJDNLNC-DEOSSOPVSA-N 369.420 4.531 0 1 FJAF CCc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559787 YYBRQBNEPRHZSB-SIKLNZKXSA-N 364.372 4.797 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cscc1Cl 587619597 TWFLHYOVLAYYQQ-QAPCUYQASA-N 358.802 4.810 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cc1O 587786122 IETHMKWDXRRKCI-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3ccc(Br)cc3[nH]1)CC2 587934280 IMURNLLTAWQABN-LBPRGKRZSA-N 357.251 4.607 0 1 FJAF Cc1ccc([C@@]2(c3ccccc3Cl)NCCc3cc(C)c(F)cc32)cn1 962381478 YHXOGYJMPPEERK-QFIPXVFZSA-N 366.867 4.929 0 1 FJAF COc1ccc(C(C)C)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962640852 XDLAFPCJRVLPRO-IVZQSRNASA-N 369.505 4.802 0 1 FJAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2NCCc3c(C)ccnc32)cc1C 963065562 FMCWXLHTJUVNNF-HSZRJFAPSA-N 368.484 4.557 0 1 FJAF Cn1nc(-c2cc(F)cc(Cl)c2)cc1[C@@H]1COC2(CCCCC2)O1 1857588713 XMMWGJBELILTNI-KRWDZBQOSA-N 350.821 4.628 0 1 FJAF C/C=C/C(=O)NCc1cc2c([nH]c3ccccc32)c(-c2ccc(OC)cc2)n1 1857744974 FIPZPFNQIBFQPY-ZZXKWVIFSA-N 371.440 4.584 0 1 FJAF Cc1ccccc1NC(=O)Nc1ccc(-n2cc(CCC(C)C)nn2)cc1 1911577747 BTALPRLPHPMXKS-UHFFFAOYSA-N 363.465 4.808 0 1 FJAF Cc1ccnc(N[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2Cl)c1 4992022 ZTXYCCSRUQWGFP-FQEVSTJZSA-N 363.848 4.810 0 3 FJAF aggregator Nc1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(C(F)(F)F)cc1 5933292 YVMCQDSKGIJVDG-UHFFFAOYSA-N 360.166 4.992 0 1 FJAF O=C(NCCCCc1cccnc1)c1ccc(-c2cccc(F)c2)c(F)c1 29487103 FIHVQBIFQYZDEJ-UHFFFAOYSA-N 366.411 4.780 0 1 FJAF CCCCn1c2c(c3ccccc31)C[C@@](CCCC)(C(=O)OC)N=C2C 58598877 YIOMPKXWOQFCLH-QFIPXVFZSA-N 354.494 4.909 0 1 FJAF O=C1Nc2ccccc2[C@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccccc12 73138671 OGXQPHQYRPCYJC-VXKWHMMOSA-N 366.420 4.870 0 1 FJAF Clc1ccc(CNCCCNc2nc3ccccc3o2)c(Cl)c1 84596154 PLEBZGXKFNGAFZ-UHFFFAOYSA-N 350.249 4.726 0 1 FJAF O=C(c1sc2ccccc2c1Cl)N(Cc1ccco1)C1CCNCC1 95578436 WGZJUMQTUKBYBS-UHFFFAOYSA-N 374.893 4.542 0 1 FJAF C[C@@H](NC(=O)/C=C/c1ccccc1F)c1cccc(Oc2cccnc2)c1 96286167 OJACUCXUGGOJND-LPQFERQCSA-N 362.404 4.904 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151859 HVRWHBXGKRCKSP-IZZQQSIFSA-N 356.491 4.517 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 102566311 QJAWLVVWBYSUSM-LJQANCHMSA-N 356.491 4.569 0 1 FJAF CCNC(=O)c1nc(-c2ccc(OC)c3oc4ccccc4c23)sc1C 115800838 XWCNJABKFQVGTQ-UHFFFAOYSA-N 366.442 4.776 0 1 FJAF CC(=O)O[C@H]1CC/C(C)=C/C=C(/C(C)C)CC[C@@](C)(O)[C@@H]2CC[C@@]1(C)O2 164955013 DPTKQCRAINPRHK-BNTBQTCDSA-N 364.526 4.710 0 1 FJAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@@H](C(=O)O)CC3)cc12 226089610 DPGRHRYLFMBPHK-CYBMUJFWSA-N 366.392 4.646 0 1 FJAF CC(C)c1cc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c(O)c(C(C)C)c1 586896170 IWHNWTVALDUEGR-UHFFFAOYSA-N 372.490 4.586 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3c(cc2[nH]1)OCO3 587065923 FGHSCJOTSWTGHB-UHFFFAOYSA-N 351.793 4.711 0 1 FJAF CSc1ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081225 YCUAVSLOWKCCNK-CQSZACIVSA-N 356.882 4.662 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 587191979 PYTUMKRFLBCQJE-QGZVFWFLSA-N 373.403 4.797 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587196301 SGOUBWIFQWRVKT-JTQLQIEISA-N 362.246 4.682 0 1 FJAF CSc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587225886 YUWTVBGDGAPBJA-HXUWFJFHSA-N 373.481 4.804 0 1 FJAF CCC[C@H](O)[C@]1(CCC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347955 CGRJJBPGJAEADX-VWPQPMDRSA-N 372.436 4.590 0 1 FJAF COc1ccc([C@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1C(C)(C)C 587398702 HALXPTRPVVYZHW-QFIPXVFZSA-N 353.462 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Sc3ccccn3)cc1)O2 587410880 RBOYFYMALNQKEK-LJQANCHMSA-N 362.454 4.830 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccccc1F)[C@@H](C2)C3=O 587428511 ZZNLPMFHHSHSSL-YADARESESA-N 374.411 4.720 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)c(F)c1Cl)CC2=O 587465639 GHJMAPWACPQQQG-HNNXBMFYSA-N 352.764 4.983 0 1 FJAF O=C1C[C@@H](c2cnc(CC(F)(F)F)s2)Oc2c1ccc1c2CCCC1 587499905 NZRWSEIBVVEMHW-AWEZNQCLSA-N 367.392 4.833 0 1 FJAF O=C(O)CCC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529045 IGRRFTSYEGFXPX-HSZRJFAPSA-N 364.441 4.681 0 1 FJAF CC(C)c1c(Cc2cccc(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649238 NFSVSHQPFYDHDF-UHFFFAOYSA-N 361.894 4.939 0 1 FJAF COc1cc(C)ccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587804665 CDEHZBXQAIRBOY-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587931220 MTUWKVLLDBDAAC-JTQLQIEISA-N 363.230 4.819 0 1 FJAF Cc1cccc(C)c1CC[C@]1(C2CC2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033018 WFSOHNGMVKUJPK-IQGLISFBSA-N 374.528 4.595 0 1 FJAF Cc1[nH]c(C)c([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)c1Br 963103268 KXHMSNHLRCZZJN-UGSOOPFHSA-N 363.274 4.643 0 1 FJAF C[C@@H](Cc1cc2c(cnn2-c2ccccc2Cl)c(O)n1)C(F)(F)F 1857754289 SXPQJLVZJSKJEA-VIFPVBQESA-N 355.747 4.520 0 1 FJAF O=c1cc(C(F)(F)F)nc2sc(-c3cccc(-c4ccccc4)c3)nn12 1857773118 MSYBPZGNFMYKLA-UHFFFAOYSA-N 373.359 4.504 0 1 FJAF COC(=O)[C@H](CCO)CCC1=C(C)[C@H](OC)C[C@@H]2C(C)(C)CCC[C@@]12C 2356663133 UXSQCQDABWBTLB-VGYLUTEMSA-N 366.542 4.506 0 1 FJAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@@]12C 2356682242 PDKQWVGVSXAXRB-UULNMJBRSA-N 374.565 4.800 0 1 FJAF Fc1cc(F)cc(COc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1 2382244380 OIBHJHBQKAMDOY-GQCTYLIASA-N 363.367 4.986 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2ccc(C)cc2)c2ncn(C(C)C)c2c1 61948970 JOYQJHPWONMUOM-SFHVURJKSA-N 367.493 4.687 0 3 FJAF COc1cccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C(C)C)c4)nc23)c1 74386336 POTPZJGLRBOENI-UHFFFAOYSA-N 358.445 4.922 0 3 FJAF CCOC(OCC)c1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1 1625548 RAUPRXJYFORBRU-CMDGGOBGSA-N 372.461 4.954 0 1 FJAF CN1C2=C[C@@]3(O[C@@H]2C(C)(C)c2ccccc21)N(C)c1ccccc1C3(C)C 5487526 IKTUDKBXMZIAIC-URXFXBBRSA-N 360.501 4.821 0 1 FJAF biogenic O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccccc1 28233595 ZVXCXEJBPDCMRL-UHFFFAOYSA-N 367.412 4.535 0 1 FJAF O=C(O)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1 29045033 XQWQSUFHGPOOLM-UHFFFAOYSA-N 359.834 4.665 0 1 FJAF CC(C)N(C(=O)[C@@H](C)c1ccc(-c2ccc(C(=O)O)cc2)cc1)C(C)C 29415198 GLXJLFRNSUCJSN-INIZCTEOSA-N 353.462 4.801 0 1 FJAF N=C(Nc1ccc2ccn(CCCN3CCCC3)c2c1)c1cccs1 34806406 DDHBYBSCEWKJLW-UHFFFAOYSA-N 352.507 4.626 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3cccs3)ncnc21 82178835 LGOTWVDDMSQGGU-CQSZACIVSA-N 357.527 4.745 0 1 FJAF COCCn1c(C2CCCCC2)nc2c(NC3CCCCCC3)ncnc21 82190081 HKUQDXLCTJADPT-UHFFFAOYSA-N 371.529 4.655 0 1 FJAF COc1ccc(OC)c(/C=C/c2nnc(Nc3ccc(C)cc3)s2)c1 103193616 ITPYLHQSXANHAP-IZZDOVSWSA-N 353.447 4.778 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2n1cncc1C#N 141064440 LWJFSVSFDMJTGO-WAUHAFJUSA-N 363.505 4.529 0 1 FJAF O=C(O)c1ccccc1Nc1nccc(Nc2cccc(C(F)(F)F)c2)n1 205481960 KSTGGDNHULXWOY-UHFFFAOYSA-N 374.322 4.681 0 1 FJAF COc1ccc2cc(-c3ccc(OC(C)=O)c(COC(C)=O)c3)ccc2c1 299824535 HNDAVJCOHJHCMC-UHFFFAOYSA-N 364.397 4.504 0 1 FJAF Cc1oc2c(c1-c1nc3cccc(OC(F)(F)F)c3[nH]1)C(=O)CCC2 586903030 FUSWMVOMDFMISZ-UHFFFAOYSA-N 350.296 4.549 0 1 FJAF C[C@@H](SCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 586964095 UODJSMFHJIVXKN-SECBINFHSA-N 366.259 4.854 0 1 FJAF CC(=O)c1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013254 QGYYJYLCONOSLU-UHFFFAOYSA-N 362.252 4.529 0 1 FJAF CC(C)[C@@H](c1nc2c(Cl)ccnc2[nH]1)N(C)C(=O)OCc1ccccc1 587197942 QGSJLJCBJBGYJF-INIZCTEOSA-N 372.856 4.577 0 1 FJAF O=C(/C=C/c1nc2ccc(OCc3ccccc3)cc2[nH]1)Nc1ccccc1 587243916 KFLSTQIYLDPXCS-BUHFOSPRSA-N 369.424 4.794 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3ncc(Br)cc3[nH]2)cc1 587250168 JJSNUVONPHZFGZ-UHFFFAOYSA-N 365.234 4.637 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1oc(-c3ccc(F)cc3)nc1C)O2 587383605 CVUNRKPWGPUIIQ-OAQYLSRUSA-N 366.392 4.560 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(OCc3ccccc3)c1)O2 587399197 JMAHUFLDEXATID-QFIPXVFZSA-N 359.425 4.863 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc4ccc(Cl)c(C)c4[nH]1)[C@@H](C2)C3=O 587421700 WQNCJECGXWAXGK-RNODOKPDSA-N 353.805 4.627 0 1 FJAF CCCc1c(O)ccc2c1OC1(CC2=O)[C@H]2CC[C@H]1Cc1ccccc1C2 587487054 YWBZXXAXZSKNHN-ROUUACIJSA-N 362.469 4.874 0 1 FJAF COc1ccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587526418 SPUGTKIYBYOLIR-LJQANCHMSA-N 350.458 4.849 0 1 FJAF CCCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587534252 YAJJSJKWCJVUQK-GOSISDBHSA-N 354.475 4.564 0 1 FJAF CCOC(=O)CCC(=O)Nc1c(C(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587630819 DHIOWEYKCIBHKE-UHFFFAOYSA-N 368.836 4.540 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H]2CCCF)N1 587717218 KTNXUWSHANGVCU-BTJLNZGRSA-N 358.270 4.868 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccccc1)Oc1ccc(F)cc1-2 653893457 QHXFQBAJAKPGFY-QGZVFWFLSA-N 372.510 4.910 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccnc2-c2ccncc2)N1 962955612 MTDNIRAFYHZLHE-ZHRRBRCNSA-N 354.457 4.639 0 1 FJAF COc1cccc(-c2cccc([C@@H](CC(=O)O)c3ncc(C)s3)c2)c1F 1772608329 INVVDQMSLJAKAR-MRXNPFEDSA-N 371.433 4.873 0 1 FJAF CCC(=O)Nc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OC 1772648123 LWXXXBLCUHRMAR-UHFFFAOYSA-N 374.803 4.523 0 1 FJAF O=C(CCCOc1cccc(Cl)c1)Nc1ncc(C(F)(F)F)s1 1857597425 VATGTBPKFUARQU-UHFFFAOYSA-N 364.776 4.613 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=C[C@@H]2OCC(C)=C2CCC(C)=CCC[C@]1(C)O 2356412886 GDTVZODNXRBOIB-BDTNDASRSA-N 362.510 4.631 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@](C)(CCC[C@@]4(C)C(=O)O)C2=CC[C@H]1C3 2356432608 GQSQALRNJKGVPV-BKTZOKNPSA-N 360.494 4.583 0 1 FJAF CC(=O)O[C@H]1CCC(C)=CCCC(C)=C[C@H]2O[C@@]1(C)CC=C2C(C)(C)O 2356808571 YYMPKEQMANJXNH-URVUXULASA-N 362.510 4.630 0 1 FJAF CCN1C(=S)N(c2c(Cl)cccc2Cl)C(=O)[C@@H]1c1ccccc1 27758511 GKBNDEJTXAHMNY-AWEZNQCLSA-N 365.285 4.688 0 1 FJAF CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc2ccc(C(C)C)cc2o1 27999519 ILQUIYQQPGTRNO-GOSISDBHSA-N 352.434 4.538 0 1 FJAF Cc1cc(C)c(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45168750 ZOWNMACSRLEUJC-JXFKEZNVSA-N 365.439 4.885 0 1 FJAF Clc1ccc2c(NCCCNCc3cnccc3Cl)ccnc2c1 96928861 XEOCMMXNTDALKH-UHFFFAOYSA-N 361.276 4.528 0 1 FJAF O=C(Nc1ccccc1)N1CCN(Cc2ccc(-c3ccccc3)cc2)CC1 137446982 YCRLHLXRLWZNBB-UHFFFAOYSA-N 371.484 4.703 0 1 FJAF Brc1cccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017644 OHYDJQILUUAHJV-UHFFFAOYSA-N 360.236 4.633 0 1 FJAF C[C@H](C(=O)OC(C)(C)C)c1cnc2cccc3c2c1-c1ccccc1C3=O 587107638 SKIDBJXTDWCFKT-ZDUSSCGKSA-N 359.425 4.891 0 1 FJAF Fc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c(F)c1F 587120767 UVOWCHOLGOTKKP-UHFFFAOYSA-N 356.229 4.542 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccco2)C1)-c1ccccc1C4=O 587206366 IZTHFCYQFLRLAO-QGZVFWFLSA-N 365.388 4.686 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1CCC(F)(F)F)[C@@H](C2)C3=O 587423410 YANSMCYNJDZLML-KXBFYZLASA-N 362.347 4.679 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cn(CC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429809 DFUPTOZBOQMFSO-GAJHUEQPSA-N 361.441 4.795 0 1 FJAF O=C1C[C@@H](c2cccnc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587515937 XWQQQNPNUKBMLO-NRFANRHFSA-N 362.473 4.657 0 1 FJAF CC(C)(C)n1cccc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578862 RZGKZMSMAGFWOB-GHTZIAJQSA-N 363.413 4.652 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(Cc1ccccc1)C1CC1 587602660 KRJJKOWGYLOZAZ-XUZZJYLKSA-N 372.420 4.745 0 1 FJAF Cc1ccccc1[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604365 VXEWBPMGIMVVAT-XUZZJYLKSA-N 372.420 4.968 0 1 FJAF Fc1ccc(Cc2[nH]c3cc(F)ccc3c2CCCC2OCCO2)cc1 587634847 UIAWOTSOYACVJP-UHFFFAOYSA-N 357.400 4.733 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3cn2)N1 587779983 XCRQJANWASOVHW-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC3)N1 587824043 TUMDYVXQJDYQGS-JEOXALJRSA-N 360.270 4.701 0 1 FJAF COc1cccc(CCc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587930640 JAVMRQKFDQTEKR-UHFFFAOYSA-N 365.658 4.773 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c1 587932096 MDBZZGSWEVFBEX-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF Cc1cc(Cl)cc2c1N[C@H](c1c[nH]nc1-c1ccc(Cl)cc1)NC2=O 1857638199 ZBUCPNSHTLDOJE-KRWDZBQOSA-N 373.243 4.546 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@@](C)(CC(=O)OC)O2 2356510209 QAJXVRMXWXMPBX-MNAPGUCWSA-N 364.526 4.667 0 1 FJAF COc1cc(-c2cccc(-c3c[nH]c4ccccc34)n2)cc(OC)c1OC 2382238452 HWUNXJPAJWPXHW-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF CCC[C@H]1[C@@H](NCc2cccs2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713832 LVYORDGNDWLYBP-XODKDNOYSA-N 360.567 4.578 0 3 FJAF COc1ccc(Cl)c([C@]2(F)C(=O)Nc3c(C(F)(F)F)cccc32)c1 25979231 RYXGYTUHROHEBZ-HNNXBMFYSA-N 359.706 4.533 0 1 FJAF CCC[C@@H](Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O 45506380 AOKLHUSYOXAEGU-CYBMUJFWSA-N 365.886 4.836 0 1 FJAF CCCOc1ccccc1CN1CCN(Cc2cc3ccccc3o2)CC1 58582458 YLTFHKSBGVTTMX-UHFFFAOYSA-N 364.489 4.539 0 1 FJAF Clc1ccc(Cl)c(CO[C@H](CCn2cncn2)c2cccs2)c1 71318326 OPHFVISVZYNDPJ-OAHLLOKOSA-N 368.289 4.995 0 1 FJAF CC(C)(C)c1cccc(NC(=O)N2CCc3c([nH]c4ccc(O)cc34)C2)c1 95596169 SQFKPPTZMUHVSM-UHFFFAOYSA-N 363.461 4.761 0 1 FJAF O=C(c1ccc2c(c1)N=CC2)N1CCC[C@@H]2c3cc(F)cc(F)c3CC[C@@H]21 100620786 YSSSIHOXSMSHPD-UTKZUKDTSA-N 366.411 4.558 0 1 FJAF O=C(NCc1cccc2ccccc12)Nc1nc(-c2ccncc2)cs1 165963134 GVAZVLCTPICWHT-UHFFFAOYSA-N 360.442 4.680 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@H]3C[C@H]3C)nn2CC(F)(F)F)cc1 299830292 WAWFFWAJABODIS-YPMHNXCESA-N 352.360 4.521 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3ccc(F)c(Br)c3[nH]2)cc1 586884744 AOLPODLQFCSWMM-HWPZZCPQSA-N 363.230 4.610 0 1 FJAF O=C(CCCc1nc2ccc(C(F)(F)F)cc2[nH]1)c1ccc(Cl)cn1 587082111 KONCGPMBENEHJR-UHFFFAOYSA-N 367.758 4.836 0 1 FJAF FC(F)(F)c1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cn1 587230331 SEZQNGBGVSMMEO-UHFFFAOYSA-N 369.350 4.651 0 1 FJAF CC1(C)[C@@H]2CC[C@]3(Oc4cc(O)ccc4C(=O)[C@H]3c3ccc(F)cc3)[C@H]21 587350168 HJZFRNROABZHIV-QWJIHBKKSA-N 352.405 4.695 0 1 FJAF CC(C)C(=O)CC[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359007 ZGIZCQWCIUTZJO-IFMALSPDSA-N 370.420 4.654 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C(C)C)O2 587372573 PTVMUIYTEXDMED-IBGZPJMESA-N 374.278 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(c4ccccc4-c4ccc(F)cc41)[C@@H](C2)C3=O 587426631 DOLFOFBVIOFOQB-WMZHIEFXSA-N 358.368 4.506 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccco3)s1)CC2=O 587495113 NNSQTDRBBLNRQZ-INIZCTEOSA-N 355.415 4.768 0 1 FJAF COc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506821 PQNSTWIIJACEBP-INIZCTEOSA-N 354.421 4.680 0 1 FJAF Cc1nc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)no1 587522428 FHULNCLKVZRASK-HXUWFJFHSA-N 360.413 4.630 0 1 FJAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617388 OZYAUATZPOSHGG-GHTZIAJQSA-N 350.370 4.641 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ccoc23)N1 587828845 AGYHXUXJXOWDHM-BTDLBPIBSA-N 360.226 4.958 0 1 FJAF CC(=O)N1N=C(c2ccc(Cl)cc2)O[C@H]1c1ccc(Cl)c(Cl)c1 653701710 NXFBQGHZUYEBSV-INIZCTEOSA-N 369.635 4.886 0 1 FJAF CN1C(=O)C[C@H]2CN[C@@H](c3ccc(-c4cccc(F)c4)cc3)c3cccc1c32 963024728 LOCTWVMCEPXVHA-UUOWRZLLSA-N 372.443 4.635 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cnn(-c2ccc(F)cc2F)c1 963237712 ZBSZLTUJJCIWJX-NYHFZMIOSA-N 367.443 4.897 0 1 FJAF CN(CCCN=c1cc[nH]c2ccccc12)CC12CC3CC(CC(C3)C1)C2 1772625499 STEYIKZWSZFSEQ-UHFFFAOYSA-N 363.549 4.607 0 1 FJAF CC1=C[C@H](CN(C)Cc2ccccc2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356316417 HZUFJHNPEQMTJR-YPAWHYETSA-N 367.537 4.907 0 1 FJAF CC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCCC2(CCCCC2)C1 20098395 ZUDUIVDMNJJWCM-KRWDZBQOSA-N 373.570 4.625 0 3 FJAF CSCC[C@@H](C(=O)Nc1c(C)cccc1C)N(C)CCc1ccccc1 95567770 BHRNKEOETFZZTI-FQEVSTJZSA-N 370.562 4.538 0 3 FJAF CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4C[C@H]5ON=C(C)[C@H]5[C@@]4(C)CC[C@H]32)C1 254129945 XHKXOQIVQHCQQV-DNNYETPZSA-N 371.521 4.882 0 3 FJAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)NCCC(C)C)c1 776330 LZZYCUUGAFLHTQ-UHFFFAOYSA-N 358.482 4.814 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(OCCN5CCCC5)cc4CC[C@H]3[C@@H]1CCC2=O 6004527 KECBZLKULBZMSJ-SVPADUAOSA-N 367.533 4.586 0 1 FJAF CCCN(CCC)[C@@H]1CCc2ccc3[nH]cc(C(=O)C(F)(F)F)c3c2C1 13741706 FNUVHMFBVOHLQV-CQSZACIVSA-N 366.427 4.892 0 1 FJAF CCCCC[C@@H](O)/C=C/CC[C@H]1CCCc2c(OCC(=O)O)cccc21 26007882 JHZPIHBJWATKJV-FEJLMNCJSA-N 360.494 4.848 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 28825422 KQJQPAOCEGFVNJ-DFNIBXOVSA-N 356.491 4.517 0 1 FJAF CNc1ccc(/C=C/c2cccc(/C=C/c3ccc(NC)c(O)c3)n2)cc1O 28948989 MKTYNXDLVBPTNQ-JMQWPVDRSA-N 373.456 4.917 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 29412845 CAJALTAVRYNFRC-DJAYXGLKSA-N 359.554 4.789 0 1 FJAF O=C1NC(=O)/C(=C/c2ccc(OCCC3CCCC3)c(Cl)c2)S1 96282299 NQQWAAXAZQXVCG-GDNBJRDFSA-N 351.855 4.623 0 1 FJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccccc1Cl 104115761 LCNVQFVLPICEEC-CFBLSMTOSA-N 360.845 4.603 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cc(Br)cc(Cl)c2[nH]1 586960248 AAMDOHIRWDKJLI-ZETCQYMHSA-N 369.675 4.622 0 1 FJAF COc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2cc1F 587017112 GWHYFAJZVKQJGJ-UHFFFAOYSA-N 360.801 4.550 0 1 FJAF Cc1c(Cl)ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc12 587022855 ANNUYEGPIYWVKG-UHFFFAOYSA-N 364.858 4.995 0 1 FJAF Clc1cc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039838 GCXDIWDKPMCSPJ-JKSUJKDBSA-N 364.301 4.816 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)CC1(C4)OCCO1)-c1ccccc1C2=O 587101952 KAUFWIHLAMFZEV-AWEZNQCLSA-N 371.436 4.547 0 1 FJAF COc1ccc(NC(C)(C)c2nc3ccc(Br)c(C)c3[nH]2)cc1 587201927 ZFMDECJRYMVPMH-UHFFFAOYSA-N 374.282 4.990 0 1 FJAF C[C@@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372096 DVAJKQNRVGIYII-ICSRJNTNSA-N 354.402 4.867 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C)cc(C)cc31)CC2=O 587483490 FRFDYASVPVTENZ-JOCHJYFZSA-N 352.430 4.605 0 1 FJAF Cc1nn(C2CCCC2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516082 QPXNACDTVGBROY-OAQYLSRUSA-N 350.462 4.892 0 1 FJAF Cc1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587565356 CURBUDVZZOIUQD-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2CCC3)N1 587815801 QHXUFCZJEWQGGM-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)oc1C 587826953 HELCEMFDBBIATD-QGHHPUGFSA-N 352.247 4.596 0 1 FJAF Cc1c(F)ccc2c1[C@H](c1cn(-c3ccccc3)nc1C(C)(C)C)NCC2 962091257 JUBBFTHWUPFHET-NRFANRHFSA-N 363.480 4.852 0 1 FJAF CC(C)C(=O)C[C@@]1(C(C)C)c2cccc(F)c2CCN1[C@@H]1CCSC1 962695837 FWEBEPSTXUNQII-IIBYNOLFSA-N 363.542 4.656 0 1 FJAF Cc1ccc([C@]2(C3CCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)c1 963030411 QUDAMLAMABDRGS-BVZFJXPGSA-N 374.528 4.791 0 1 FJAF CCCCN1CCC(COC(=O)c2cc(Cl)nc3ccccc23)CC1 1857765849 MHTYILHLQONBEV-UHFFFAOYSA-N 360.885 4.557 0 1 FJAF Clc1ccc([C@@H](Cc2ccncc2)c2ccc3c(c2)OCCO3)cc1 13442078 QYKYNAOKCRIEAU-LJQANCHMSA-N 351.833 4.881 0 1 FJAF COc1ccc([C@H]2CCN(C(=O)c3ccccc3)C2)cc1OC1CCCC1 13741123 LVMPRFXDRXVQKC-IBGZPJMESA-N 365.473 4.646 0 1 FJAF Cc1ccsc1/C(=C\CCN1CCC[C@@H](C(=O)O)C1)c1ccccc1 13827962 WGNCKAHIWOTHDS-HSNFWNHWSA-N 355.503 4.675 0 1 FJAF Cc1cccc(C)c1-c1c(C)c2cnc(Nc3ccccc3)nc2n(C)c1=O 28342831 JQROFTYKPOEECE-UHFFFAOYSA-N 370.456 4.664 0 1 FJAF CC(C)Oc1ccc(CN2CCC(CCCC(=O)c3ncco3)CC2)cc1 29126382 GVXDQGARTXJGFK-UHFFFAOYSA-N 370.493 4.727 0 1 FJAF Cc1cc(Nc2nc(Nc3cccc(Cl)c3)nc3ccccc23)n[nH]1 34029955 JMMLYBACNATHAI-UHFFFAOYSA-N 350.813 4.802 0 1 FJAF Fc1cccc(Nc2nc(-c3ccc(N4CCOCC4)cc3)cs2)c1 95558534 DVNUHKCQBOQYKF-UHFFFAOYSA-N 355.438 4.529 0 1 FJAF O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2cccc(F)c2)o1 103210666 ZXPIBQDECLWDLO-UHFFFAOYSA-N 373.767 4.806 0 1 FJAF O=C(Nc1ccc(CC[C@H]2CCCN2)cc1)c1ccc(Cl)c(Cl)c1 117728232 AJLQUOXNZAXTHI-OAHLLOKOSA-N 363.288 4.930 0 1 FJAF C[C@@H](C(=O)Nc1ccc([C@H]2CCNC2)cc1)c1cccc(C(F)(F)F)c1 117736360 OTJIZLKGGQWOTK-CJNGLKHVSA-N 362.395 4.525 0 1 FJAF Cc1cc(O)c(-c2ccc(C(C)(C)N)cc2)c2c1[nH]c(=O)c1sccc12 150299531 POTNGNAKXOTMIQ-UHFFFAOYSA-N 364.470 4.618 0 1 FJAF C[C@H]1C[C@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 299821112 SYCPRHSKXPRURM-NPLGPCAWSA-N 359.554 4.645 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4nc(Cl)c[nH]c-4n3)cc2)n1 587020303 MOICGXRVHKJAJK-UHFFFAOYSA-N 373.894 4.682 0 1 FJAF Oc1nc2cc3nc([C@@H]4C[C@@H]4c4c(Cl)cccc4Cl)[nH]c3cc2[nH]1 587050019 OAMWANKTYVQWKW-JGVFFNPUSA-N 359.216 4.723 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)c2)c1 587233660 VNYWKLCAUVEOSL-UHFFFAOYSA-N 368.440 4.823 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@H](c3ccccc3)Oc3ccccc31)O2 587410848 GRZRUYMGOXFTAM-ISKFKSNPSA-N 371.436 4.962 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(c3ccc(C)cc3)CC1)CC2=O 587477405 XUMQDCIWJIMLSA-UHFFFAOYSA-N 365.473 4.658 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(OC)c(C)c13)CC2=O 587482862 LACGUQFFQVNBBB-HXUWFJFHSA-N 365.429 4.850 0 1 FJAF O=C1C[C@@H](c2cccc(C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 587505925 JAWXKDUSAXHQEF-KRWDZBQOSA-N 362.347 4.996 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2[nH]1 587588540 LBRKXYQVODPIEW-SIKLNZKXSA-N 357.365 4.576 0 1 FJAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cs1 587610771 HDQBMLGWNHTWHN-APWZRJJASA-N 367.426 4.675 0 1 FJAF O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cccc(F)c12 587632871 LRHXJKCJENRLBX-UHFFFAOYSA-N 359.784 4.604 0 1 FJAF COc1cc(C)cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587811577 WHORTFDBOBHUCX-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF Cc1ccc(C[C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814581 ULJHKAXMXZSWLX-YJYMSZOUSA-N 362.286 4.889 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2sccc2Cl)N1 587841761 CJLBBBCMHILBRG-UHLUBPPHSA-N 360.679 4.927 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccs2)N1 587850216 CVZRWVHTVQKWKB-QFYYESIMSA-N 354.288 4.642 0 1 FJAF CCN(CC)c1ccc(NC(=O)c2c(-c3ccsc3)noc2C)cc1 1857589699 FAOOXGFJELDQNN-UHFFFAOYSA-N 355.463 4.810 0 1 FJAF CCc1nc2ccc(C(=O)N[C@H]3CCCc4ccccc43)cc2nc1CC 6917898 NGRXCTFSUQNCTR-FQEVSTJZSA-N 359.473 4.562 0 1 FJAF O=C(Cc1ccc(F)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 28712400 IUGCFYKGNPZQEI-UHFFFAOYSA-N 360.388 4.739 0 1 FJAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2ccn(C)c2c1 40918489 CCVSWGJHRPZURH-UHFFFAOYSA-N 359.404 4.940 0 1 FJAF Cc1cc(C)cc(Sc2c(C(C)C)c(=O)[nH]c(=O)n2CC2=CCCC2)c1 43120693 UMLIOQOALRGFRM-UHFFFAOYSA-N 370.518 4.538 0 1 FJAF COc1ccc(/C=C2\SC(=O)N(Cc3cccc(Cl)c3)C2=O)cc1 49802390 LKRZCPJVTYCIQI-YBEGLDIGSA-N 359.834 4.585 0 1 FJAF CSc1ccc(C[C@@]2(O)c3ccccc3-c3nc4ccccc4n32)cc1 72124948 CWCMCJNMAZYVNE-JOCHJYFZSA-N 358.466 4.675 0 1 FJAF C[C@H](NCc1coc(-c2ccccc2Br)n1)c1ccccc1 72181385 WVASNWZOTASUBP-ZDUSSCGKSA-N 357.251 4.955 0 1 FJAF CCOc1ccc(OCc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)cc1 473152860 WFKGHKZAZLVEEE-KRWDZBQOSA-N 353.462 4.679 0 1 FJAF Cc1c(CNC(=O)OC(C)(C)C)nc2cccc3c2c1-c1ccccc1C3=O 587104322 QDBLWEBEPZKSKK-UHFFFAOYSA-N 374.440 4.779 0 1 FJAF Fc1ccc2[nH]c(-c3nc4ccnc(Br)c4[nH]3)c(Cl)c2c1 587175239 WKWZDTWAAJDJHA-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1 587200849 ALJGEESRLVUMRN-UHFFFAOYSA-N 351.237 4.621 0 1 FJAF CN(C)C(=O)Sc1ccc2c(c1)CCc1c-2nc2cccc3c2c1CC3 587216864 OZLWMIUNPUXJLT-UHFFFAOYSA-N 360.482 4.873 0 1 FJAF Cc1cnccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587335777 IFWBFNWTWCLLQL-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCc3c1[nH]c1ccc(Cl)cc31)O2 587379553 JGOJAPOQVYCTAO-FQEVSTJZSA-N 352.821 4.519 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1c1ccccn1)CC2=O 587488799 KCMRXJUURSULEI-HTAPYJJXSA-N 351.446 4.802 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1ncc(C)s1)CC2=O 587495189 NTLGSBQRBSAMTJ-SFHVURJKSA-N 368.458 4.607 0 1 FJAF O=C1C[C@H](c2ccc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587516169 ZFCLPQRQINCWLN-OAQYLSRUSA-N 362.473 4.657 0 1 FJAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603018 KMCLTJAXSKEGMJ-DOBIFIJOSA-N 364.441 4.795 0 1 FJAF C[C@]1([C@H]2C[C@H]3C=C[C@H]2CC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603803 RUCWXFOHJJTOLO-ABFPFACHSA-N 362.425 4.715 0 1 FJAF CC(C)c1nc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cs1 587610774 HDQBMLGWNHTWHN-LPHOPBHVSA-N 367.426 4.675 0 1 FJAF COc1c(F)ccc(F)c1[C@H]1NCCc2cccc(-c3ccccc3)c21 962664434 GVALQSHBRIURSJ-NRFANRHFSA-N 351.396 4.876 0 1 FJAF O=c1ccc2ccc(OCCCCCCn3cnc4ccccc43)cc2o1 1857648697 OPAGLBZAPWZRDG-UHFFFAOYSA-N 362.429 4.782 0 1 FJAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356381926 GPLGAQQQNWMVMM-WEULTXSKSA-N 356.598 4.810 0 1 FJAF COC(=O)CC[C@@H]1C(=C(C)C)CC[C@H](C)[C@]12C[C@@H](c1ccoc1)OC2=O 2356412913 GSXRUACJVUTUCK-ASTRLGPVSA-N 360.450 4.590 0 1 FJAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCCc2c1oc1ccc(O)cc21 2356433083 WIGMDADUQLISQR-AWEZNQCLSA-N 354.402 4.676 0 1 FJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(O)cc5)C4)(C[C@@H](N)[C@H]31)O2 2356499359 BZCXVPHXXDEZKB-WJOMKSSHSA-N 369.549 4.806 0 1 FJAF C[C@@H]1C=C[C@H]([C@H](O)CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)CC1 2356747238 ZSDHBKWEFFUPKB-TVTNDZMWSA-N 372.505 4.569 0 1 FJAF Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 1346998 IXKLAYOAYRZBMP-LJQANCHMSA-N 365.477 4.555 0 3 FJAF CCOC(=O)[C@H]1CCCN(CCC=C(c2ccccc2)c2ccccc2)C1 27722528 NTXFIVOMDGZTOO-QFIPXVFZSA-N 363.501 4.784 0 1 FJAF CN1CCc2ccc(NC(=O)Nc3ccc(-c4ccccc4)cc3)cc2C1 45188892 BELFZXZMNOHISG-UHFFFAOYSA-N 357.457 4.986 0 1 FJAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1C[C@@H](C)CC 82180484 ZKWBDHOFHYKOCM-HNNXBMFYSA-N 351.498 4.745 0 1 FJAF COc1cccc2c1[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722168 YZYSBQZNEZZXLK-OFNKIYASSA-N 370.428 4.593 0 1 FJAF COc1ccc(-n2cc(O)c(-c3nc(-c4ccccc4)cs3)c2N)cc1 169691623 BHZAJXHHZSTYEZ-UHFFFAOYSA-N 363.442 4.564 0 1 FJAF O=NCc1ccccc1OC[C@@H](O)Cn1c2ccccc2c2ccccc21 169721084 ROCKFCNIHUESHH-KRWDZBQOSA-N 360.413 4.501 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(Cl)nccc3[nH]2)cc1 586879911 UNROBUJQWWZPII-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Cc1cc(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115203 ICQYSKCJILFLQY-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF Cc1c(Br)ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130165 FVGHASSNTZYQBD-UHFFFAOYSA-N 353.166 4.902 0 1 FJAF COC(=O)[C@@H](C)c1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363808 VVPWNXOTPDGMMC-ZDUSSCGKSA-N 361.397 4.933 0 1 FJAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccccc1Cl 587623278 DEIPBDMYZXHYEI-UHFFFAOYSA-N 362.212 4.801 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824128 UQZRXMKPQVATHI-URFZZILJSA-N 374.297 4.948 0 1 FJAF CCC[C@@]1(Cc2ccco2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587828956 PHGBKBXKXBGTKW-SGTLLEGYSA-N 366.274 4.954 0 1 FJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587952064 XOMABJXGRWBMMM-ZDUSSCGKSA-N 357.413 4.741 0 1 FJAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](c3ccccc3)C1)N(C)[C@@H](C)C2 962631099 QIKULXJJAVNYPU-PRCFCKQXSA-N 351.490 4.743 0 1 FJAF Cc1c([C@]2(C)NCCc3c(C(=O)O)cccc32)oc2ccc(Cl)cc12 963128140 ZWLBLNPAYGYEMN-HXUWFJFHSA-N 355.821 4.502 0 1 FJAF CC(=O)OCC1=C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356511204 BPNHQUDTVYQGKS-BBTMVRTDSA-N 360.494 4.583 0 1 FJAF CCCCCOC1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 28712056 VIWCJPKZDQYQRJ-UHFFFAOYSA-N 362.558 4.772 0 1 FJAF in-vivo O=C(Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1)c1ccccc1 40873278 YPDLBVCPCFRNSB-LAUBAEHRSA-N 362.473 4.734 0 1 FJAF C[C@H](F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955976 MBOUAMRPAMORPE-ZDUSSCGKSA-N 366.864 4.521 0 1 FJAF CSCSc1nnc(-c2cn(-c3ccccc3)nc2CC(C)C)o1 66101860 IVKDXGYJQMTMFW-UHFFFAOYSA-N 360.508 4.533 0 1 FJAF O[C@@](c1ccc(Cl)cc1)(c1ccc(Br)cc1)c1cccnc1 72185950 PTHYKFXPOOPKBK-GOSISDBHSA-N 374.665 4.782 0 1 FJAF CCCCCn1c(CC(C)C)nc2c(NCc3ccccc3)ncnc21 82178556 FQEIKMZTNONNIH-UHFFFAOYSA-N 351.498 4.827 0 1 FJAF Cc1cccc2c1N(C(=O)CSc1ncc(Cl)cc1Cl)CCC2 138906348 FLTBYMGWJOPCBI-UHFFFAOYSA-N 367.301 4.768 0 1 FJAF CCN(CC)c1ccc2c(C)c(-c3ccc(OC(C)=O)cc3)c(=O)oc2c1 473117993 JNTQDAFJNQGBIQ-UHFFFAOYSA-N 365.429 4.540 0 1 FJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586908756 UUXVQINWCAIXCL-QMMMGPOBSA-N 368.742 4.816 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c1 586983068 VLVMKBCWKRZTKY-UHFFFAOYSA-N 371.021 4.507 0 1 FJAF CC(=O)CC/C=C/Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992270 UUFQKVMBZMZQSX-HWKANZROSA-N 371.436 4.928 0 1 FJAF Cc1cc2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c(C)n1 587191444 UUQRTWQWOXNWJQ-SFHVURJKSA-N 366.465 4.531 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)c(F)cc2[nH]1 587201905 YPCGLKFBTMYVOO-UHFFFAOYSA-N 369.868 4.936 0 1 FJAF N=c1cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc2[nH]1 587254348 RRWLXLZZSXIEHU-UHFFFAOYSA-N 362.742 4.863 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(C)c(Br)c(C)c1)[C@@H](C2)C3=O 587414122 SMCHNEAPKBHYKH-IFXJQAMLSA-N 373.246 4.563 0 1 FJAF COc1ccc2oc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)c(C)c2c1 587415279 ZIVHZLGHCJYFOT-OAQYLSRUSA-N 351.402 4.521 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1ccc(C)cc1C)[C@@H](C2)C3=O 587430932 LEVAOPSRTWNPQI-GAJHUEQPSA-N 359.425 4.591 0 1 FJAF Nc1c(Br)cccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498230 GGFTYEHVEVKNBO-QGZVFWFLSA-N 372.262 4.617 0 1 FJAF C[C@@H]1[C@H](c2ccccc2)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604672 VFQWYYPRRRRTLR-PKJNMOSASA-N 372.420 4.916 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2nccc3ccccc23)N1 587774912 OEHMKWBLIRMJQD-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nnc(Cl)c2ccccc12 587871227 QSEJFDJCWBDJJH-UHFFFAOYSA-N 368.799 4.674 0 1 FJAF COc1ccc(/C=C/Cc2nc3ccc(OC(C)C)cc3[nH]2)c(OC)c1 587929036 KMAPGJMWDGASHR-AATRIKPKSA-N 352.434 4.623 0 1 FJAF CC(C)Cc1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)[nH]1 962369318 CQQNYQJNMCWQTN-OAQYLSRUSA-N 353.535 4.761 0 1 FJAF O=C1CCC[C@H]1[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1ccco1 962708646 JIRDJCMPCPIWPW-CXAGYDPISA-N 369.408 4.526 0 1 FJAF CCOC(=O)CCCCC[C@@]1(C2CC2)c2ccc(F)cc2C[C@H]2CCCN21 963102219 KMOVURYYBMRJQE-NFBKMPQASA-N 373.512 4.965 0 1 FJAF CCCC[C@@]1(O)C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cc3)cc21 1857585796 FEDBORYRCVXYQN-SFHVURJKSA-N 364.367 4.779 0 1 FJAF CC(C)=CCC[C@H](C)c1cc(C(=O)NCCc2ccc(O)cc2)c(N)s1 103054472 TUCGNTCNIIJFCK-HNNXBMFYSA-N 372.534 4.858 0 3 FJAF CCC[C@H]1[C@@H](NCC2CCCCC2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713807 YIZVZYGFYPDTIO-BESBDSHLSA-N 360.586 4.896 0 3 FJAF C/C=C\c1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(OC)c3c(c1)OCO3)O2 13462771 UIWUAELYQAENKN-BKYUSGONSA-N 354.402 4.703 0 1 FJAF endogenous,in-man CCCCc1nccn1C[C@H]1CC(c2ccccc2)(c2ccccc2)C(=O)O1 13651101 GOJOTRAQHYVGFP-OAQYLSRUSA-N 374.484 4.528 0 1 FJAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccccc1 13809639 KLUFHTIGWLCRKK-UHFFFAOYSA-N 364.408 4.826 0 1 FJAF COc1ccc(Sc2nc(Nc3cc(C)[nH]n3)c3ccccc3n2)cc1 34030748 KJVHTJKPBZOBPJ-UHFFFAOYSA-N 363.446 4.565 0 1 FJAF O=C1Nc2ccc(Cl)cc2[C@@]12C[C@@H]2c1cccc(-c2cccs2)n1 40822664 BTTQDGXZMZDYPP-BFUOFWGJSA-N 352.846 4.841 0 1 FJAF CCCCCn1c(CCC)nc2c(NCCc3ccc(F)cc3)ncnc21 82187564 OBEUNMLKVYGXQV-UHFFFAOYSA-N 369.488 4.763 0 1 FJAF C[C@@H](O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@@H]1C(=O)O 86036764 IQOBRUHFIHSLSL-YRXWBPOGSA-N 370.530 4.701 0 1 FJAF Cc1cccc(Nc2nc(-c3ccc(-c4cc[n+]([O-])cc4)cc3)cs2)n1 145310167 DFDNIUBJLXSWQK-UHFFFAOYSA-N 360.442 4.558 0 1 FJAF CC(C)(C)c1cc(NC(=O)[C@]2(C)CCCN2c2ccc(Cl)cc2)no1 166872244 QIGKNCJASZEQPS-IBGZPJMESA-N 361.873 4.623 0 1 FJAF CCc1c([C@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O 169352253 MZCZKFORVYIQJF-LLVKDONJSA-N 364.461 4.797 0 1 FJAF CCC(=O)[C@@H]1[C@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 253633386 JVJYOCYVDQOIIM-UODNPWTESA-N 350.289 4.839 0 1 FJAF COc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299832859 UHWZLNBUBONLML-UHFFFAOYSA-N 367.412 4.925 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4c(ccc5nc(C)ccc54)[nH]3)oc12 586904490 VNUQPOYXFPGOAV-UHFFFAOYSA-N 357.369 4.654 0 1 FJAF Clc1ncc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cn1 587084841 IUUFTIRXCIIYFT-UHFFFAOYSA-N 363.833 4.950 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)O2 587173559 DVJMQJWODSLQHG-HXUWFJFHSA-N 360.388 4.957 0 1 FJAF COc1ccc(-c2nc3cccc4c3c(c2CC(=O)O)CC4)c2ccccc12 587213192 GIVBQZJLMQUHBH-UHFFFAOYSA-N 369.420 4.789 0 1 FJAF Cc1ncsc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372606 JXUZTFRSMWVNSE-PXNSSMCTSA-N 369.417 4.571 0 1 FJAF COc1c(Cl)cc(Cl)cc1[C@@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587377754 YJAJBRIGNWHGPR-GOSISDBHSA-N 366.244 4.773 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1c(C)sc4ccccc14)[C@@H](C2)C3=O 587453127 QFTLKEZKDATMEB-BTYIYWSLSA-N 350.439 4.881 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)cc(C)c1OC)CC2=O 587485139 ZSAURDLGXAAOCF-JOCHJYFZSA-N 354.446 4.851 0 1 FJAF C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549933 TYYLNBMSZJMXTA-NQIIRXRSSA-N 366.800 4.923 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cccnc3c2)N1 587777172 FRXIGACSNFBGAT-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(Cl)c2)N1 587850300 YLFNLHWQQMDLMB-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(Cl)cc1 587867589 AHDBTAHSIUXUBT-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF COc1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)ccc1OC(F)F 963098684 GWTOPAHOEKKVDL-AUUYWEPGSA-N 363.379 4.546 0 1 FJAF FCCOc1cccc(CCC2CCN(CCc3ccccc3)CC2)c1 1857537850 LUIDCRXALZOXKI-UHFFFAOYSA-N 355.497 4.922 0 1 FJAF C[C@@H]1[C@@H]2CC[C@H]3[C@@H]4CC[C@H]5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1C 2356407473 ZUKZAQFFEBCYLE-YSMFLZANSA-N 358.614 4.890 0 1 FJAF O=C1c2ccccc2C(=O)N1CCc1c(-c2ccccc2)[nH]c2ccccc12 29468035 KUDIEHCAFQKFQJ-UHFFFAOYSA-N 366.420 4.674 0 3 FJAF CN(c1ccc(NC(=O)Cc2cn(C)c3ccccc23)cc1)c1ccccn1 199265514 GKQXTJFBAVJOEP-UHFFFAOYSA-N 370.456 4.522 0 3 FJAF Cc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCCC3 4575528 ZRDGZGMYKKIIDW-UHFFFAOYSA-N 351.475 4.708 0 1 FJAF Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2CC1CC1 13672690 NNHRSHFWEXABIV-UHFFFAOYSA-N 373.287 4.944 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26394201 LKCRMGJZGXVDFH-IHGGMVMOSA-N 357.538 4.515 0 1 FJAF COc1ccc(Cn2ccc3ccc(Cc4cccc(C(=O)O)c4)cc32)cc1 49792859 SZJWJKLPYDSQQK-UHFFFAOYSA-N 371.436 4.987 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCc3cccc(F)c3)ncnc21 82179738 WFNIMKJJMIGZCE-AWEZNQCLSA-N 367.472 4.544 0 1 FJAF CCCCCNc1ncnc2c1nc(-c1cccnc1)n2CCCCC 82186417 XHICCODPHPNTGQ-UHFFFAOYSA-N 352.486 4.681 0 1 FJAF CC(C)(C)C(=O)N1CC[C@@H]2C[C@@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 101841275 WPOMEMRUSBHGPF-VQIMIIECSA-N 363.457 4.889 0 1 FJAF COc1cc(-c2cnn3ccc(Nc4ccc(C(C)C)cc4)nc23)ccc1O 200572942 JDKQQMPKYAYCSW-UHFFFAOYSA-N 374.444 4.978 0 1 FJAF O[C@@H](COc1cccc(C2CCCCC2)c1)CN1CCc2ccccc2C1 219728555 MHRKVLMXYZWTQD-HSZRJFAPSA-N 365.517 4.532 0 1 FJAF CSC1=N[C@@H](c2cccc(Cl)c2Cl)C(C(=O)OC(C)C)=C(C)N1 299856144 IDQMXQYUUZGHDL-AWEZNQCLSA-N 373.305 4.582 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(C)c(Br)cc3[nH]2)cc1 586885852 DFYSPFRSSIDSPF-YVEFUNNKSA-N 359.267 4.779 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(F)cc(Br)c3[nH]2)cc1 586894148 YEXXAJOSHKUBDN-QFYYESIMSA-N 363.230 4.610 0 1 FJAF O=C(O)c1cc(F)cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c12 587056205 ZWDMYMDKLQIRPF-PLNGDYQASA-N 351.164 4.877 0 1 FJAF Cc1cnc(Cl)c2[nH]c(/C=C\c3c(F)c(F)c(F)c(F)c3F)nc12 587134129 IKWWJNIMLYYNEO-IHWYPQMZSA-N 359.685 4.786 0 1 FJAF Oc1c(F)cc(F)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587134297 LQUAFDBSVXKFID-UHFFFAOYSA-N 352.340 4.793 0 1 FJAF Fc1cc(CCc2nc3ccc(Br)c(F)c3[nH]2)cc(F)c1F 587139080 VBHILNPTALVSJW-UHFFFAOYSA-N 373.147 4.667 0 1 FJAF COCCc1c(-c2ccc(Br)cc2)nc2cccc3c2c1CC3 587207223 CYYSUOPNJKYJMT-UHFFFAOYSA-N 368.274 4.952 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCCOCc1ccccc1)CC2=O 587478566 GJNMHKNQQKRLGA-QGZVFWFLSA-N 354.446 4.676 0 1 FJAF Cc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602659 JIBDHFWYTUQCMX-REWPJTCUSA-N 358.393 4.504 0 1 FJAF CC1=C[C@H](C)C[C@H]([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587604617 XKVWKQCSZLIULU-ARNIOMPDSA-N 350.414 4.715 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3ccccc3NC=O)c(CC(=O)O)c2c1 587643119 RALNFQHNJSICJH-ZDUSSCGKSA-N 350.418 4.544 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)cc1F 587720926 UFGAJYMTTPISBP-XYZCENFISA-N 370.212 4.798 0 1 FJAF CCCc1ncc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855022 SXMFLNFTLAATDZ-ABKXIKBNSA-N 369.303 4.621 0 1 FJAF CCCCCOc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12 653771308 BQBOYXIZGNGBEL-UHFFFAOYSA-N 358.463 4.945 0 1 FJAF O=C(Nc1ccc2n[nH]cc2c1)c1c[nH]c2cc(-c3ccccc3)ccc12 1857568669 BWMPMOGOLYVRJH-UHFFFAOYSA-N 352.397 4.964 0 1 FJAF S=C1NN2C(c3ccccc3)=C[C@H](c3ccccc3Cl)N=C2S1 1857641281 XZCOBXRDQFRGAZ-CQSZACIVSA-N 357.891 4.630 0 1 FJAF CSc1nc2c(C(F)(F)F)ccc(C(F)(F)F)c2c(O)c1C(C)=O 1857745690 OTIHLLALIMMLKV-UHFFFAOYSA-N 369.286 4.903 0 1 FJAF CCCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c(n1c1ccccc41)[C@@H]32 2382245668 JPMANBMYQKZBQL-GGAORHGYSA-N 364.489 4.538 0 1 FJAF O=C(CCCC1CCCCC1)NCC12CC(CN1Cc1ccccc1)C2 2382262042 MQPWGIMRGIKJDT-UHFFFAOYSA-N 354.538 4.518 0 1 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(F)(F)F 61946616 YRKBBIVQXKLUDP-BAYUOJMJSA-N 360.460 4.683 0 3 FJAF O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1noc2ccccc12 206030376 SIKRPSUWNPHAEN-OAHLLOKOSA-N 360.335 4.824 0 3 FJAF CCCN(CC1CC1)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 1545459 CGGIHGFGMZBHBI-UHFFFAOYSA-N 365.521 4.876 0 1 FJAF CCCC/C=C/[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(C)cc1 1630959 LJHPNCDMTWAWSV-VWMRQFFHSA-N 369.530 4.857 0 1 FJAF OC[C@@H]1O[C@@H](c2ccccc2)C=C[C@@H]1Oc1ccc(C2CCCC2)cc1 7992163 NQAJYCGJAFXJBZ-VJBWXMMDSA-N 350.458 4.780 0 1 FJAF COc1ccc(OCC2=N[C@H](c3ccccc3)c3ccccc3CN2C)cc1 13600235 LZJXEVKNPXCUIU-XMMPIXPASA-N 372.468 4.708 0 1 FJAF C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1N1CCCC1)c1cccc2sccc12 13860895 UMIAZJFHSCKPMM-VDGAXYAQSA-N 370.562 4.870 0 1 FJAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@H]23)cc1Cl 26155143 QFAHXLIVMRUENH-DLBZAZTESA-N 366.848 4.682 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26396033 QOBHVCSONWIIQM-HDFHSODXSA-N 371.565 4.857 0 1 FJAF COc1cc(OC)c2c(c1)[C@H]1CCCN1C[C@@H]2c1ccc(SC)cc1 26668195 NHDJBCIYLBSYIT-RTBURBONSA-N 355.503 4.708 0 1 FJAF COc1cc(Nc2nccc(Nc3cnc4ccccc4c3)n2)cc(OC)c1 34228639 WPLNQGXOVZEUGW-UHFFFAOYSA-N 373.416 4.529 0 1 FJAF CCc1ccc(Oc2ccnc3cc(OC)c(OC)cc23)c(C(C)=O)c1 40976661 BCLBZFYZFSFONW-UHFFFAOYSA-N 351.402 4.809 0 1 FJAF CC[C@H]1CNCC[C@@H]1CNC(=O)c1c(F)cccc1-c1cccc(Cl)c1 49047234 XRFSBFDSFFGNLO-GOEBONIOSA-N 374.887 4.512 0 1 FJAF CN(CCCn1cnc2c3cc(Cl)ccc3nc-2c1O)C1CCCCC1 103591823 ADNQURKRFQILPV-UHFFFAOYSA-N 372.900 4.550 0 1 FJAF Oc1ncnc2c1c(-c1ccc(Br)cc1)cn2-c1ccccc1 263620319 CPYVKWBLVMVKFH-UHFFFAOYSA-N 366.218 4.556 0 1 FJAF in-vitro COc1ccc(O)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990919 ICKLARZKMJPDGV-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4c(Cl)c(Cl)cnc4[nH]3)cc2[nH]1 587120211 CLSZFIBAQQYRBY-UHFFFAOYSA-N 372.137 4.827 0 1 FJAF Cc1cccc2nc(-c3cc(I)ccc3Cl)[nH]c12 587182911 PIQKKKWEPBVTSZ-UHFFFAOYSA-N 368.605 4.796 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)c(F)cc2[nH]1)C1CCCC1 587227538 ZHBXECOWMLKVNN-OAHLLOKOSA-N 351.397 4.597 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3ncccc3F)o1)CC2=O 587465548 FRDBCNXOJZHLGX-IBGZPJMESA-N 367.376 4.845 0 1 FJAF CC[C@@]1(c2ccc(C)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601792 HRXYZQDDZDHXAH-OFNKIYASSA-N 360.409 4.968 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3ccc(C(=N)N)cc3[nH]2)c1 587780607 VNWAQHBMJCJKHD-UHFFFAOYSA-N 356.429 4.580 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C)(C)SC2(C)C 587858586 RTZGAUBCAOQFJY-SECBINFHSA-N 358.320 4.622 0 1 FJAF COC(=O)c1cccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c12 587958604 ATKMWXNKEZAPHL-UHFFFAOYSA-N 356.425 4.916 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)cc2nc(N)oc12 963228676 MLZWXGAJLAZRCV-KPZWWZAWSA-N 355.869 4.809 0 1 FJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3C(C)C)O[C@@H](C)[C@@H](C)C2=O 2356670356 LNDUCGCDUQUPIH-VNHYZAJKSA-N 372.461 4.549 0 1 FJAF O=C(C[C@@H](C(=O)c1ccsc1)c1ccc2c(c1)OCO2)c1ccccc1 1861822 VSCXIPVGAHJNJA-QGZVFWFLSA-N 364.422 4.716 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(O)[C@@H](C(C)C)CC[C@@]23C)cc1 14956563 IYDWZZNRGMWKMG-SCPDWHHUSA-N 372.505 4.764 0 1 FJAF biogenic CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3ccc(N)cc23)C1(C)C 14975815 XCWLLVVZCVZVHA-UHFFFAOYSA-N 354.494 4.515 0 1 FJAF CC(=O)O[C@H](C[C@@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@H]13)c1ccoc1 15162858 DZAYTXGDCMMRGZ-PIAXUNGASA-N 372.461 4.590 0 1 FJAF endogenous,in-man CC1(C)COC2(CCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)OC1 28524784 ZEYZITCRKAIHRK-NRFANRHFSA-N 368.452 4.520 0 1 FJAF N=C(Nc1ccc2ccn(CCCCn3ccnc3)c2c1)c1cccs1 34806415 VGICJGJGAHHFCI-UHFFFAOYSA-N 363.490 4.817 0 1 FJAF Cc1ccc2[nH]c(-n3[nH]c(C)c(Cc4ccc(C(C)(C)C)cc4)c3=O)nc2c1 169320285 ZQHUMWKUIOTHPE-UHFFFAOYSA-N 374.488 4.547 0 1 FJAF NCCOc1ccc(/C(=C2\CCc3ccccc32)c2ccc(O)cc2)cc1 299855807 BPDCIVIJDYKPRW-WCWDXBQESA-N 357.453 4.635 0 1 FJAF O=C(c1cnc(Nc2ccccc2)s1)c1ccccc1Br 473133373 YZJVZKWAHLFZSO-UHFFFAOYSA-N 359.248 4.880 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3ncc(Cl)cc3[nH]2)cc1 586880311 XCRYQWVQJGUUFM-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Cc1cc(C)c2[nH]c(Cc3csc(NC(=O)c4cccs4)n3)nc2c1 587019539 NDGMGQXNPPRIOJ-UHFFFAOYSA-N 368.487 4.541 0 1 FJAF COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2c1 587144808 BEXNOHMGWUNWLZ-UHFFFAOYSA-N 360.388 4.746 0 1 FJAF CC(=O)c1ccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c2c1 587163421 PKCOJRGKXXPBGO-UHFFFAOYSA-N 373.387 4.824 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1c(Cl)cccc1Cl)O2 587372739 AHQITLDCJFGWRJ-NSHDSACASA-N 350.245 4.851 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O 587420243 JGAFXDHCDCANHG-YVEFUNNKSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C)nn(C(C)(C)C)c1C)CC2=O 587475333 MGVIFPYUIGQSCQ-SFHVURJKSA-N 356.466 4.620 0 1 FJAF CC(C)N(C)c1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587503040 HCQFTJFVNGRDQM-FQEVSTJZSA-N 350.462 4.512 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2cc(Cl)c(F)cc12 587629359 LZPVHEBCHVHWKQ-UHFFFAOYSA-N 363.747 4.512 0 1 FJAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632989 UWRXRQDFPCXDNA-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC2(C)C 587824465 WXQRKEFSQXOPCR-ODXCJYRJSA-N 374.297 4.948 0 1 FJAF CSC[C@@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587841900 CMJWIJOTKKQVHZ-QLJPJBMISA-N 360.336 4.727 0 1 FJAF CN1C(=O)C[C@@H]2CN[C@H](c3ccc(-c4cccc(F)c4)cc3)c3cccc1c32 963024722 LOCTWVMCEPXVHA-HOYKHHGWSA-N 372.443 4.635 0 1 FJAF Cc1ccnc2c1CCN[C@]2(c1cccc(Br)c1)C1CCCC1 963073630 WQZRYMWEFPAIQC-FQEVSTJZSA-N 371.322 4.732 0 1 FJAF Nc1cccc2c1[C@@]1(c3ccccc3-2)c2c(F)cccc2C[C@H]2CCCN21 963102664 FYJOLMGZDUHHSI-VOIUYBSRSA-N 356.444 4.701 0 1 FJAF CCCN1[C@H](c2cc(Cl)cc3nc(N)oc23)c2ccccc2C[C@H]1C 963228684 MLZWXGAJLAZRCV-XIKOKIGWSA-N 355.869 4.809 0 1 FJAF COc1ccc(F)cc1-c1cccc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772655667 MJMWIVBLCWPOAP-QGZVFWFLSA-N 371.433 4.873 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](c1ccccc1Cl)C(=O)N2 1857631980 KCEBSCSGPHXONU-GOSISDBHSA-N 354.793 4.684 0 1 FJAF O=C(c1cnc(Nc2cccc(Oc3ccccc3)c2)[nH]1)c1ccccc1O 1857741888 SJCXXRAZLYJUBC-UHFFFAOYSA-N 371.396 4.882 0 1 FJAF CC=C[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@@H](C)CCC[C@@H]12 2356576388 ZAWHOLMDNIHGEJ-OYSPMZIOSA-N 351.446 4.610 0 1 FJAF COc1cc([C@H]2C[C@@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc(OC)c1OC 2382244280 VFBTVHWVACLTFT-LERAUJRQSA-N 352.446 4.707 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](C3CCCC3)O[C@@H]2c2ccc(Cl)cc2)O1 95569647 KLLWEDYBDVWHFX-MAUKXSAKSA-N 362.853 4.924 0 3 FJAF CC(C)c1ccc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1 769112 QIBDNAUYLWUMDY-AZUAARDMSA-N 370.880 4.643 0 1 FJAF CCOC(=O)/C(=C\c1c(C)[nH]c2ccccc12)P(=O)(OCC)OCC 1637657 CNGWCJAGUQAUDZ-SFQUDFHCSA-N 365.366 4.646 0 1 FJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@@H]1C(=O)N(C)C 4295621 HHODYQZOCMVWFE-SJORKVTESA-N 354.853 4.581 0 1 FJAF CC(C)c1c(CO)cn(Cc2ccncc2)c1Sc1cccc(F)c1 35015400 CFZCWOKKSINUHX-UHFFFAOYSA-N 356.466 4.837 0 1 FJAF COc1cc2c(cc1Cl)C(c1cccc(Br)c1)=NCC2 38996446 IKGXHBGCVQTQBH-UHFFFAOYSA-N 350.643 4.505 0 1 FJAF in-vivo O=C(O)Cc1sc(NCCc2ccccc2)nc1-c1ccc(Cl)cc1 45337415 UUAPATINNIWSHL-UHFFFAOYSA-N 372.877 4.745 0 1 FJAF CC(=O)SCC[C@@H](CCCCC(=O)Nc1ccccc1)SC(C)=O 49069458 WLSJHTFWYACOEA-QGZVFWFLSA-N 367.536 4.504 0 1 FJAF CSc1ccc(C[C@@]2(O)c3ccccc3-c3nc4cc(C)ccc4n32)cc1 72123500 DHRSGKXWURBWNF-HSZRJFAPSA-N 372.493 4.983 0 1 FJAF Cc1csc(-c2nc(N)c3cc([C@H](C)c4ccccc4)sc3n2)n1 96908910 TZEFSFNRGUGGIZ-LLVKDONJSA-N 352.488 4.857 0 1 FJAF CN(C)c1ccc(-c2cc3cc([125I])ccc3o2)cc1 103065351 XHGHCGPWSCLUGT-QZIRHQCUSA-N 361.199 4.770 0 1 FJAF Cc1c(CC(=O)O)c2cccnc2n1[C@@H](C)c1ccc(C(F)(F)F)cc1 117591307 ZIIBKQIEASHQES-NSHDSACASA-N 362.351 4.600 0 1 FJAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 139446493 ZUKZAQFFEBCYLE-FZDJYLQRSA-N 358.614 4.890 0 1 FJAF O=C(O)[C@H]1CC[C@H](c2cc3cccnc3c(-c3cccc(F)c3)n2)CC1 254094655 XWVBOPKUSVZZPJ-HDJSIYSDSA-N 350.393 4.794 0 1 FJAF Cc1cc(Cl)cc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c12 586996350 GDJURDXIMSFNAI-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Clc1ccc2nc(-c3nc(Br)sc3C3CC3)[nH]c2c1 587013297 SOBBVXFDZZWUDD-UHFFFAOYSA-N 354.660 4.980 0 1 FJAF FC(F)(F)Oc1ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c2c1 587018196 VZGWYLZLOUIAIT-UHFFFAOYSA-N 365.336 4.769 0 1 FJAF O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1F 587102723 DZIGTWRGLZQGND-UHFFFAOYSA-N 369.351 4.951 0 1 FJAF CCOC(=O)[C@@H](c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)C(C)C 587106651 MRGWKYFYQBUMBN-HXUWFJFHSA-N 359.425 4.749 0 1 FJAF Fc1cc(CCc2nc3cccc(Br)c3[nH]2)cc(F)c1F 587139871 QTELQLSUCCYTSP-UHFFFAOYSA-N 355.157 4.528 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3c(Cl)ccnc3[nH]2)c1 587159162 KXTREHYJKICDPC-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF Fc1ccc2[nH]c(-c3nc4c(Br)ccnc4[nH]3)c(Cl)c2c1 587174088 LZSHJAFLGWGJGG-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF COc1cccc(-c2cc(C[C@@H](C)C(=O)O)nc3c2oc2ccccc23)c1 587367885 ZUUCZUZNFRNBHB-CYBMUJFWSA-N 361.397 4.920 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ncc[nH]1)(C1CCCCC1)CC2=O 587480922 GHOZSBDZWIBHBP-NRFANRHFSA-N 354.450 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3c(s1)C[C@@H](C)CC3)CC2=O 587495685 PTUOMTXRDGPZRD-GTNSWQLSSA-N 357.475 4.633 0 1 FJAF O=C1C[C@@H](c2ccc(Br)c(O)c2)Oc2c1ccc1c2CCCC1 587496082 GXJLWCADMBGFRK-SFHVURJKSA-N 373.246 4.740 0 1 FJAF CCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587522304 HAZUEQBXMFABSI-FQEVSTJZSA-N 352.430 4.679 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587718282 IHHOPZIEPZARIQ-YYSFKGJASA-N 366.249 4.968 0 1 FJAF COc1cc(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587806667 IDJAXFCGLLBXLD-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1cc(C)ccc1F 587870575 DHCGGZLPQIDWDA-UHFFFAOYSA-N 373.428 4.781 0 1 FJAF Oc1nc2cc3nc([C@@H](Cc4ccccc4)c4ccccc4)[nH]c3cc2[nH]1 587956364 YLWSTZSBQHXIPO-INIZCTEOSA-N 354.413 4.519 0 1 FJAF COc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1 653819612 GTLZAHKWZOMSSQ-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF FC(F)(Cl)C1(C(F)(F)Cl)NCCc2c(Cl)cc(Cl)cc21 963126257 WAIAGVZBUSFHSJ-UHFFFAOYSA-N 370.988 4.998 0 1 FJAF CC=C(C)C(=O)O[C@]1(C)CCC2=C(C(C)C)[C@H](OCC)C[C@@]2(C)CC1=O 2356692091 JAFLAPVIZWDZGL-VOQZNFBZSA-N 362.510 4.775 0 1 FJAF O=C(Oc1ccccc1)N1CCC2(CC1)CCN(c1ccccc1)CC2 3955757 BZPWJTVMDYTJDX-UHFFFAOYSA-N 350.462 4.568 0 1 FJAF O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2N1Cc1ccccc1 35966287 OZMOZYSNNYCTFH-XSFVSMFZSA-N 356.381 4.682 0 1 FJAF Clc1cc(NCc2ccc(Oc3ccccc3)cc2)n2nccc2n1 40895920 CMASVBJFCFMVDT-UHFFFAOYSA-N 350.809 4.787 0 1 FJAF CC[C@@H](C)CN1CCCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 45189211 SXKVYMFSOXTTJQ-QGZVFWFLSA-N 371.550 4.559 0 1 FJAF CN1CCc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2C1 45319314 KXQOQYVYXBOPLS-UHFFFAOYSA-N 350.249 4.625 0 1 FJAF COc1c(-c2ccccc2)oc2c3c(cc(OC)c2c1=O)OC(C)(C)C=C3 59199455 IMHUWBJRQHCKTE-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF biogenic,in-vitro COc1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1 72181168 CVZKHZXMWCAXFD-UHFFFAOYSA-N 371.440 4.503 0 1 FJAF CC(C)(C)OC(=O)CN(Cc1ccc(Cl)cc1)Cc1cccs1 84690410 URUVJFMWGJUTSX-UHFFFAOYSA-N 351.899 4.745 0 1 FJAF O=C1Nc2ccccc2[C@@H]1[C@@H](C(=O)c1ccccc1)c1c[nH]c2ccccc12 102907215 OGXQPHQYRPCYJC-FCHUYYIVSA-N 366.420 4.870 0 1 FJAF COc1c(-c2ccc(C(F)(F)F)cc2)ccc(-c2cnc(N)cn2)c1F 224775374 LSPSJUIFEVHEOP-UHFFFAOYSA-N 363.314 4.559 0 1 FJAF CN1CC[C@@]2(c3cccc(O)c3)C[C@H]1Cc1[nH]c3ccc4ccccc4c3c12 253633490 HPUSLEQBUFQORT-CJAUYULYSA-N 368.480 4.963 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccccc1OCC3 586990631 HEEWTPQSJNGYEX-UHFFFAOYSA-N 365.388 4.754 0 1 FJAF Clc1ccc(-c2nc(-c3nc4cc5cn[nH]c5cc4[nH]3)cs2)cc1 587016074 OQNMAOSFCQZHDA-UHFFFAOYSA-N 351.822 4.883 0 1 FJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587113077 JRPNCOWEWCMSTD-LBPRGKRZSA-N 373.300 4.843 0 1 FJAF N[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]1c1ccccc1F 587155207 INEHNXIKXDAGQJ-HXOBKFHXSA-N 373.431 4.623 0 1 FJAF C[S@@](=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209696 SBXQUPGDERPBIJ-HHHXNRCGSA-N 369.445 4.851 0 1 FJAF C[C@@]1(C(F)(F)C(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587331909 RCZDUNZCBMSVMF-RHSMWYFYSA-N 372.289 4.549 0 1 FJAF CCc1cc(Br)ccc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587376236 ILIWDGDRPHEHCX-KRWDZBQOSA-N 360.251 4.609 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cnccn3)cc1)CC2=O 587487064 CVTBCPRPSOBVHO-NRFANRHFSA-N 360.413 4.508 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c[nH]c2ccccc12 587589309 NZPDEGSUTYYHDP-DENIHFKCSA-N 357.365 4.576 0 1 FJAF Cc1ccc2c(c1)[C@]1(Oc3ccccc3C(=O)[C@@H]1C(=O)c1ccco1)[C@@H](C)C2 587602272 HLPYGXZGCXNTKD-BXKTYXQLSA-N 372.420 4.750 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603648 OOSYRBJASYJXBU-NZQKXSOJSA-N 358.393 4.504 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2occc12 587618559 USYGEEFHEHGQQH-DENIHFKCSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]ccc3c2)N1 587807655 XRVHHTMKGHYCTL-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587817498 LBXUHGFRFCZRGX-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF O=C(COc1ccc2oc(=O)ccc2c1)c1ccc(-c2ccccc2)cc1 653779643 GOLXKZUFPFOFLH-UHFFFAOYSA-N 356.377 4.722 0 1 FJAF COc1ccc(CCN2CCC(CCc3cccc(OC)c3)CC2)cc1 653816301 CBGMWYBBAJYHTN-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF Cc1ccc2oc(=O)c([C@@H]3NCCc4cccc(Cl)c43)c(Cl)c2c1 963390414 JGKWUKOMAJPFCQ-GOSISDBHSA-N 360.240 4.643 0 1 FJAF Cc1ccc2oc(=O)c([C@H]3NCCc4cccc(Cl)c43)c(Cl)c2c1 963390415 JGKWUKOMAJPFCQ-SFHVURJKSA-N 360.240 4.643 0 1 FJAF CCc1ccc(/C=C2\SC(=O)N(CC[C@H]3C[C@H]4C=C[C@@H]3C4)C2=O)cc1 1857613054 JWJSGDKKSLQOML-VXGJULBZSA-N 353.487 4.888 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3cnc4ccccc4c3)nc2c1 1911585053 GCSMPRTWRFYOPQ-VWLOTQADSA-N 352.330 4.613 0 1 FJAF COC(C=CC(=O)O)=CC(C)=C[C@H]1CCCc2c1oc1ccc(O)cc21 2356433084 WIGMDADUQLISQR-CQSZACIVSA-N 354.402 4.676 0 1 FJAF 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)C=CC(=O)O1 2356822467 FVVRWVBGHVCJSE-DYKVROMCSA-N 370.533 4.798 0 1 FJAF C[C@@H]1CCCN(C(=O)c2cc3c(-c4ccc(Cl)cc4)nn(C)c3s2)C1 5025871 DQHRAILQEASIBO-GFCCVEGCSA-N 373.909 4.827 0 3 FJAF Oc1c(-c2ccsc2)cnc2c(-c3cccc(Br)c3)cnn12 13493028 AMDJHJJNKSGMBL-UHFFFAOYSA-N 372.247 4.593 0 1 FJAF O=C(CCCCC[C@H](O)c1ccccc1)c1ncc(-c2ccccn2)o1 14980122 GTNCYKSWIJTPPW-SFHVURJKSA-N 350.418 4.603 0 1 FJAF O=C(O)c1ccc2c(c1)nc(-c1ccc(C(=O)O)s1)n2C1CCCCC1 28092643 UXKKJICRQGLOSF-UHFFFAOYSA-N 370.430 4.666 0 1 FJAF Cc1nc(-c2ccccn2)nc(NCCc2cccc(Cl)c2)c1Cl 40897911 CIPPOFLOWYYCOA-UHFFFAOYSA-N 359.260 4.808 0 1 FJAF CCC[C@@H](CC)OC(=O)c1cc(CO)cc(C(=O)O[C@H](CC)CCC)c1 40972382 ONMFJTSDBZIFTK-RTBURBONSA-N 364.482 4.650 0 1 FJAF in-vivo COc1ccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)cn1 96167710 OSEIUQRJBFSSJX-UHFFFAOYSA-N 371.444 4.764 0 1 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@H](N(C)C)CC[C@@]5(C)[C@H]4CC[C@]23CN1C 255213292 GPLGAQQQNWMVMM-GRCLDSLISA-N 356.598 4.810 0 1 FJAF COc1cc(/C=C\c2nc3cc(Cl)cnc3[nH]2)ccc1Br 586976361 IMHGADVIXLTXPG-HYXAFXHYSA-N 364.630 4.553 0 1 FJAF O=C(Nc1ccccc1Cl)c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587060165 CUYPRVWNJDUPTH-UHFFFAOYSA-N 357.694 4.627 0 1 FJAF Fc1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587062323 RKEBJTOWAOOKFK-UHFFFAOYSA-N 354.610 4.730 0 1 FJAF O=C1CCc2cc3[nH]c(-c4ccncc4-c4ccc(Cl)cc4)nc3cc2N1 587076788 OLORJQURYCSXJS-UHFFFAOYSA-N 374.831 4.830 0 1 FJAF COc1ccc(C(=O)c2ccccc2-c2nc3cccc(F)c3[nH]2)cc1F 587143619 BHIUNTOKCQVPLS-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF N[C@@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@@H]1c1ccccc1F 587156105 MFWCVXNGFPGKQX-HWPZZCPQSA-N 369.749 4.716 0 1 FJAF O=C(Nc1ccc(F)cc1)N1CCC[C@H]1c1nc2cccc(Cl)c2[nH]1 587167045 GCKDXJVTWMIBST-HNNXBMFYSA-N 358.804 4.724 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(C(C)(C)Br)O2 587373099 LDEFLSDKLSUYOH-IBGZPJMESA-N 374.278 4.611 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccccc3)cnc1Cl)O2 587380406 UMPSEJWNHBAMSI-IBGZPJMESA-N 364.832 4.999 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ccc(N)cc3)o1)CC2=O 587473451 VFJPQGSTESKSOV-OAQYLSRUSA-N 363.413 4.893 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc([C@H](C)OC)cc1)CC2=O 587479570 ISFVGRXXPKZJTH-FPTDNZKUSA-N 354.446 4.933 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1C1CCCCC1)CC2=O 587482877 JXYXULZYXGFUGE-IBGZPJMESA-N 354.450 4.822 0 1 FJAF O=C1C[C@@H](c2csc(-c3ccco3)n2)Oc2c1ccc1c2CCCC1 587535541 MFYGZGUUKTUVLW-SFHVURJKSA-N 351.427 4.988 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccncc12 587587859 QHGARSIPTDFFRS-REWPJTCUSA-N 369.376 4.643 0 1 FJAF CC(C)(C)SC[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606025 FVJQZAWFFZDBKG-JXFKEZNVSA-N 358.459 4.644 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cs1 587611972 HXVWOECUPVFSKE-YJBOKZPZSA-N 358.802 4.810 0 1 FJAF Cc1cccc(F)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587717575 GEWSGRYXXFBQSO-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2F)N1 587724942 AJMAFMGEGRNAEV-BTDLBPIBSA-N 352.222 4.545 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817546 MDFMPCLZHMTPDD-OEEPRNMVSA-N 352.291 4.774 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(O)cc2)N1 587835812 YJUKPOORYWIRGA-BZNIZROVSA-N 364.258 4.502 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)CC1 587952939 YCXNIXSKKZODRQ-ZBOXLXRLSA-N 374.378 4.799 0 1 FJAF COc1nccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c12 587957858 XPEWXVDRFZUTEU-UHFFFAOYSA-N 361.486 4.885 0 1 FJAF c1cnc(-c2ccc([C@H]3c4ccsc4CCN3Cc3ccco3)cc2)nc1 962719470 YBNPUPWGJVQDNM-NRFANRHFSA-N 373.481 4.946 0 1 FJAF c1ccc2c(c1)-c1ccc3ccccc3c1[C@@]21NCCc2nc3ccccn3c21 962984305 CLMIKHJNUMQMFE-SANMLTNESA-N 373.459 4.906 0 1 FJAF COC(=O)c1scc(-c2ccc(NC(=O)c3cccs3)cc2)c1OC 1772628983 UCBTXPJTGIVWRA-UHFFFAOYSA-N 373.455 4.524 0 1 FJAF O=C(Nc1ccc(F)cc1)c1c(O)nc2ccccc2c1-c1ccccc1 1857652157 YKACQNJHJZPMCZ-UHFFFAOYSA-N 358.372 4.999 0 1 FJAF CC1=C[C@H](CNCc2ccc(F)cc2)[C@@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356300642 KUXFBARQZQRLPZ-QKNQBKEWSA-N 371.500 4.704 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356321352 INZKXQVWURMZIT-UIKRWWRCSA-N 372.549 4.508 0 1 FJAF C[C@H]1[C@@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@@]32CN1O 2356422175 IJXJZTJHUIMUND-PNKHAHIYSA-N 358.570 4.569 0 1 FJAF CC(=O)N[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccccc2C)cs1 61908892 ZZBQGBJILUBCIH-SFHVURJKSA-N 358.413 4.622 0 3 FJAF O=c1cc(-c2ccccc2)oc2cc(OCCCNC3CCCC3)ccc12 27109220 CGGIFYQQQKCMGG-UHFFFAOYSA-N 363.457 4.761 0 1 FJAF O=C(Nc1ccc(Nc2ncc(Br)s2)cc1)c1ccccc1 34987289 WJAAXNIZNKAKEV-UHFFFAOYSA-N 374.263 4.902 0 1 FJAF O=C(O)c1c(O)c(C2(c3ccccc3)CC2)nc2c3c(ccc12)CCCC3 58468684 IOOAVNABRMYUPR-UHFFFAOYSA-N 359.425 4.597 0 1 FJAF COc1cccc(-c2ccc(C(=O)N(C)Cc3cccc(O)c3)s2)c1F 73161286 VLNQSUWHVVGANO-UHFFFAOYSA-N 371.433 4.541 0 1 FJAF Cc1oc(-c2cccc(Cl)c2)cc1CSc1nc2c(c(=O)[nH]1)CCC2 73389328 FBZUTQDZLGLHTE-UHFFFAOYSA-N 372.877 4.773 0 1 FJAF CC(=O)N(Cc1ccccc1)CC1CCN(Cc2ccc(Cl)cc2)CC1 84634241 KOAJMZOLFDIMQB-UHFFFAOYSA-N 370.924 4.601 0 1 FJAF O=C(Nc1c(Cl)cncc1Cl)c1ccc(O)c(OC2CCCC2)c1 89464547 NAOWRSTYDSMOPQ-UHFFFAOYSA-N 367.232 4.668 0 1 FJAF CCN(CC)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1 95554937 NWRIDVFHFNJXNR-UHFFFAOYSA-N 356.297 4.680 0 1 FJAF O=c1c2cc(Cl)ccc2nc(-c2ccccc2)n1Cc1ccc(F)cc1 103173808 AKFORVLCZXXOQF-UHFFFAOYSA-N 364.807 4.904 0 1 FJAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC[C@@H]5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 136024458 ZUKZAQFFEBCYLE-CMWHORQMSA-N 358.614 4.890 0 1 FJAF O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(Cl)ccc23)c1 203411394 UWMVRDDUAYAKJI-UHFFFAOYSA-N 362.816 4.944 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc3c(cc2[nH]1)OCCCO3 586896706 KDLNYXHANGSCDN-UHFFFAOYSA-N 358.397 4.764 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3nc(C)ccc3c2[nH]1 586915970 JJKAUGVAHMMXNL-GAJHUEQPSA-N 371.440 4.636 0 1 FJAF Clc1nccc(-c2nc3ccc4c(c3[nH]2)CCCC4)c1Br 586979236 KBIGQKKGEZUWSH-UHFFFAOYSA-N 362.658 4.920 0 1 FJAF O[C@H](c1ccc(Br)cc1)c1nc2cc3ccccc3cc2[nH]1 586998098 XGKMVCMKXMYTOZ-QGZVFWFLSA-N 353.219 4.560 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c([C@H]3C[C@H]3c3cccc(F)c3F)nc2c1 587153160 WPNAUKOFHIFJQP-QWRGUYRKSA-N 362.763 4.552 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 587233680 SNAIILZQCSFGQT-JOYOIKCWSA-N 353.825 4.516 0 1 FJAF C[C@@]1(CCc2ccco2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356543 PZSPLVWXSCFDHI-IRLDBZIGSA-N 366.388 4.875 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(C)cc(Br)cc1C)[C@@H](C2)C3=O 587411586 FDTFXZGAELAEPK-IFXJQAMLSA-N 373.246 4.563 0 1 FJAF O=C1C[C@H](c2ccc(Oc3cnccn3)cc2)Oc2c1ccc1c2CCCC1 587515743 QMMAXEZRAQZLMB-OAQYLSRUSA-N 372.424 4.854 0 1 FJAF CC(C)(C)n1cccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587578865 RZGKZMSMAGFWOB-RXVVDRJESA-N 363.413 4.652 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c([C@@H](N=O)C(=O)OC)c2c1 587644490 XEIPRKYXVQETTA-HXPMCKFVSA-N 351.406 4.724 0 1 FJAF Cc1cc(C)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587827880 MCOSVHJKEBKYGR-BMLIUANNSA-N 352.247 4.596 0 1 FJAF CSc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587843819 JLKJMWZKKNIKSB-DYZYQPBXSA-N 366.299 4.934 0 1 FJAF Cc1c(F)ccc2c1[C@@](C)(c1ccc(OCc3ccccc3)cn1)NCC2 962091042 KRCHKXFWQUVSAC-HSZRJFAPSA-N 362.448 4.517 0 1 FJAF CN1CCC[C@@H]1[C@H]1CCCC[C@@]12NCCc1cccc(-c3ccccc3)c12 962673119 ZQEVYQKVOLDRSK-VDKIKQQVSA-N 360.545 4.979 0 1 FJAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)C1 962974961 LYGAGBWSFKSJIZ-JPWKDRTDSA-N 371.855 4.505 0 1 FJAF O=C(N1CCN(c2ccccc2)CC1)N1c2ccccc2Oc2ccccc21 1772610818 YBDSAFWHAIIOMR-UHFFFAOYSA-N 371.440 4.873 0 1 FJAF CCOC(=O)CCCCCCCCCCCC[C@@]1(O)OC(=O)C(C)=C1C 2356556604 HJGBSGSUXROYBD-OAQYLSRUSA-N 368.514 4.813 0 1 FJAF C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1CCc1ccccc1 61905402 CVDJQVTUGIVFHN-LJQANCHMSA-N 363.288 4.639 0 3 FJAF CC(C)(C)n1ncc(OCc2ccc(-c3ccccc3)cc2)c(Cl)c1=O 601588 ZBJBSWVWGMADGX-UHFFFAOYSA-N 368.864 4.898 0 1 FJAF CCCCc1nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n1 2014604 REYCLVOXIMEAFD-UHFFFAOYSA-N 371.910 4.868 0 1 FJAF CC1(C)CCC[C@@]2(C)Oc3c(c(O)cc(O)c3C(=O)c3ccccc3)C[C@@H]12 13376339 NUBZMOOMCLFMKK-FDDCHVKYSA-N 366.457 4.849 0 1 FJAF biogenic O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)c3ccco3)ccc2[nH]1 13472560 NRUDNDJQDIIWLQ-UHFFFAOYSA-N 370.364 4.692 0 1 FJAF CC[C@H](C)CCCCCC[C@@H](O)CC(=O)N1CCC[C@@H]1c1cccnc1 14684448 GJFDABNJIPKXMS-CEWLAPEOSA-N 360.542 4.883 0 1 FJAF biogenic CC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3ccc(C)nc32)CC1 26016228 XIXNIIXUWWAPMD-UHFFFAOYSA-N 366.892 4.586 0 1 FJAF COCSC1=C2CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CCC1=O 36289289 MLLXVMVHPAUKOD-ZVNTTXGISA-N 362.535 4.752 0 1 FJAF Cc1ccc2c(C(=O)Nc3ccc(Oc4cccnc4C)nc3)c[nH]c2c1 40411328 IVCPUOLRERPDSF-UHFFFAOYSA-N 358.401 4.619 0 1 FJAF Cc1ccc(C[C@@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45301187 LLOBTJUATYGLGK-DNVCBOLYSA-N 351.412 4.576 0 1 FJAF CCCN(CCCNc1ccnc2cc(Cl)ccc12)Cc1ccccn1 49068274 YNSCZKKJGZTEAH-UHFFFAOYSA-N 368.912 4.997 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)NCc2ccccc2)c(-c2cccc(C)c2)n1 82216802 XGPQPYWJEWVZAE-KRWDZBQOSA-N 374.488 4.592 0 1 FJAF CC(C)=CCN1CC[C@@]2(C)c3c(ccc(O)c3Br)C[C@H]1[C@H]2C 100720051 DOUQADGXCVUBSK-FRIZHTMISA-N 364.327 4.645 0 1 FJAF O=c1onc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12 103289668 OKDKTIRYVZNQQM-UHFFFAOYSA-N 365.392 4.708 0 1 FJAF Fc1ccnc(Nc2ccc(Oc3ncccc3-c3ccncn3)cc2)c1 139330658 NODDSMDTQVVEGK-UHFFFAOYSA-N 359.364 4.609 0 1 FJAF O=C(O)c1ccc(/C=C/c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)nc1 167541915 MYMPMZBTTVYTRR-UNXLUWIOSA-N 359.360 4.633 0 1 FJAF Cn1c2c(c3ccccc31)CN(CCC[C@@H](N=O)c1ccc(F)cc1)CC2 169717736 NPQVPMVCKCZVSB-HXUWFJFHSA-N 365.452 4.963 0 1 FJAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 254081763 YQDIZAHKTNEAGG-XTCWOQMQSA-N 370.452 4.729 0 1 FJAF COc1ccc2nc(-c3nc4cc(OC(F)(F)F)ccc4[nH]3)sc2c1 587035519 REQLUMCJWSUYSG-UHFFFAOYSA-N 365.336 4.747 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2cccc(O)c2[nH]1 587121464 FJNNPPPDDSNVEJ-UHFFFAOYSA-N 359.307 4.691 0 1 FJAF CCOc1cc(/C=C\c2nc3ccc(OC)cc3[nH]2)ccc1OC(F)F 587129723 FPSPXNKMISNRRR-UITAMQMPSA-N 360.360 4.742 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cc(OC(C)(C)C)c(F)cc4N)[nH]c32)n1 587135885 HKXJJMFACGLHDJ-UHFFFAOYSA-N 364.424 4.985 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587155155 JZJHGHBSZFHHQS-GFCCVEGCSA-N 350.296 4.554 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccccc3)n3ccccc13)O2 587394042 PVAVVIGRQBJJJZ-HXUWFJFHSA-N 369.424 4.598 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)[nH]c1ccccc14)[C@@H](C2)C3=O 587438351 NTFXECFPJCGYCI-MHECFPHRSA-N 369.420 4.993 0 1 FJAF CC(C)n1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C1CC1 587515417 MPYMGTSXDUOCTB-NRFANRHFSA-N 350.462 4.927 0 1 FJAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587518036 YZSHUBFDXNXSCA-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C1CC1 587616038 YRPAUKSECGILOL-WIYYLYMNSA-N 364.422 4.721 0 1 FJAF CC(C)O[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813579 VNVPKWVKFYUJJS-XNAIMREJSA-N 370.306 4.541 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587926538 IEWRSVUIMWAIED-SNVBAGLBSA-N 366.248 4.824 0 1 FJAF CC/C(=C\c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)c1ccc(C)cc1 587966579 JBXBDTSBTPQRML-WYMLVPIESA-N 350.418 4.617 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1cc(Cl)cc2nc(N)oc12 963228679 MLZWXGAJLAZRCV-KZULUSFZSA-N 355.869 4.809 0 1 FJAF COc1ccc(-c2ccc(C)cc2NCCCn2cnc(C)c2)cc1OC 1772628380 FOFRNDQNGOVNPO-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF NCc1cc2ccc(-c3cncc(C(=O)Nc4ccccc4)c3)cc2s1 1857577665 QYLDMGZNUBOXQB-UHFFFAOYSA-N 359.454 4.674 0 1 FJAF COc1cc(O)cc2c1-c1oc3c4c(ccc3c1CO2)OC(C)(C)C=C4 15262023 BKLGAGSBCOUJGV-UHFFFAOYSA-N 350.370 4.891 0 1 FJAF biogenic,in-vitro COc1ccc(CN2CCC(N[C@@H]3C[C@H]4CC[C@]3(C)C4(C)C)CC2)c(F)c1 40972986 VMMQPLXBEYNKBU-OAOOKAIFSA-N 374.544 4.603 0 1 FJAF Cc1ccc(Nc2ccc(-c3c(F)ccc(F)c3F)nc2)c(C(=O)O)c1 59024461 KTBJLLPRVLRLHC-UHFFFAOYSA-N 358.319 4.916 0 1 FJAF Oc1c2c(nn1-c1ccc(Br)cc1)-c1ccccc1SC2 101495280 WTVOULXUKRYLBX-UHFFFAOYSA-N 359.248 4.613 0 1 FJAF Cc1ccc([C@@]2(O)CCCc3c(-c4ccc(C#N)cc4)cncc32)cc1C 205706929 XYHHKKDRQRGTED-DEOSSOPVSA-N 354.453 4.809 0 1 FJAF CO[C@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 253636803 BLHLYSLDSMMWFB-OQEHDIDLSA-N 371.908 4.696 0 1 FJAF Fc1c(Br)ccc2nc(CCc3cc4ccccc4o3)[nH]c12 586904264 UJKQFKWMAGQKRH-UHFFFAOYSA-N 359.198 4.996 0 1 FJAF Cc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1C 586914426 IJHBBUFRASTVPK-UHFFFAOYSA-N 358.397 4.948 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(CCC(F)(F)F)c1)[C@@H](C2)C3=O 587422915 WDMASJKRVNLHJQ-KXBFYZLASA-N 362.347 4.679 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(CSc1ccc(Cl)cc1)[C@@H](C2)C3=O 587448921 NEJOAUKEIAFMPW-HNAYVOBHSA-N 360.862 4.647 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccn(-c3ccccc3F)c1)CC2=O 587465500 DRWQNYGTHQVVKG-NRFANRHFSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccnc1)CC2=O 587488055 GTKYCQIFVCMYGP-QHCPKHFHSA-N 359.425 4.649 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cncnc3)cc1)CC2=O 587490047 OHQGKNDXVLFNIO-NRFANRHFSA-N 360.413 4.508 0 1 FJAF CC(C)C(=O)c1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621869 MUIZYHREDSHCKH-UHFFFAOYSA-N 374.160 4.664 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cn(C)nc3C)c2c1 587642733 VDQLHSSRQXBWGY-JTQLQIEISA-N 363.383 4.973 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)(F)F)N1 587708831 FCBIUQILZKXNRI-ISVAXAHUSA-N 354.185 4.680 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587720937 UHMCUUFSMUMBRA-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF Cc1cc(F)cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587736422 ZUVXZUDKHQHREX-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(ccn3C)c2)N1 587756790 MEWFEVHGWGQRGP-NSPYISDASA-N 373.269 4.704 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cnc3ccccc3c2)N1 587777724 JEZDXQUBCXBWKG-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)ccc1C 587779091 XMNHZRHFTWLZSC-UHFFFAOYSA-N 367.193 4.978 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnccc3c2)N1 587779332 QYPSYJPHIUUJQY-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587785716 BPKRADNASDHMHM-UHFFFAOYSA-N 354.715 4.723 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2CCC3)N1 587815799 QHXUFCZJEWQGGM-FKIZINRSSA-N 374.297 4.875 0 1 FJAF COc1cccc(CCc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c1 587930492 GYPLRKFFEVNZON-UHFFFAOYSA-N 356.425 4.588 0 1 FJAF Nc1ccc(-c2ccc3nc(C[C@@H]4C[C@H]4c4ccccc4)[nH]c3c2)cc1N 587961720 SZTBNZVIYXTCKM-ROUUACIJSA-N 354.457 4.741 0 1 FJAF CCN(CCOc1ccccc1)c1nc(-c2cccnc2)nc2ccccc12 1857553889 CLKDYOBUWIOCRJ-UHFFFAOYSA-N 370.456 4.597 0 1 FJAF CC1(C)CN(NC(=O)Nc2cccc(Cl)c2)c2cc(Cl)ccc2O1 1857562912 BHXZOPAHZBLAIV-UHFFFAOYSA-N 366.248 4.708 0 1 FJAF c1ccc(CCNc2ccc3ncc(-c4cccc5ccccc45)n3n2)nc1 61929989 FXDDWVBDBDJXCE-UHFFFAOYSA-N 365.440 4.599 0 3 FJAF Cc1ccc(/C=C2\SC(=O)N(C(=O)c3ccc4ccccc4c3)C2=O)o1 13479494 OEYLWIKPADJOPC-BOPFTXTBSA-N 363.394 4.618 0 1 FJAF O=C1CS[C@@H](c2c(F)cccc2F)N1CC12CC3CC(CC(C3)C1)C2 40391050 RPCDEJKZHKOELG-MMVGZCIASA-N 363.473 4.755 0 1 FJAF COc1cc(/C=C\Cc2cc(OC)c3ccoc3c2)cc(OC)c1OC 40566207 YWFKSIMIEBPFRG-ALCCZGGFSA-N 354.402 4.723 0 1 FJAF Cc1ccc(CNC[C@H]2CCC[C@@H](CNCc3ccc(C)cc3)C2)cc1 45358491 JXAIYQIJHNJUEB-PSWAGMNNSA-N 350.550 4.989 0 1 FJAF Nc1nc(-c2ccccc2)cc(-c2ccc(-n3cnc4ccccc43)cc2)n1 103181504 TUGMCSLQBIMNOH-UHFFFAOYSA-N 363.424 4.732 0 1 FJAF COc1ccccc1Oc1cc(NC[C@@H]2CC[C@@H]3C[C@@H]2C3(C)C)ncn1 104930406 OBZABPCRXBXWRJ-XHSDSOJGSA-N 353.466 4.762 0 1 FJAF CCOC(=S)S[C@H](Cn1ccnc1)c1ccc(Cl)cc1Cl 169322083 VVRPBDAEQJUBNL-CYBMUJFWSA-N 361.319 4.986 0 1 FJAF Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1CC(=O)O 169334477 NKMBIRAZOSIZQM-UHFFFAOYSA-N 356.219 4.600 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 253632624 CCQPFCCZWSBRTL-OOSIQAMHSA-N 361.441 4.755 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1ccccn1)[C@@H]2O 299870123 NEJZGGCMSBCPLE-QCQVXASYSA-N 361.485 4.698 0 1 FJAF in-vivo Clc1ccc(OCc2nc3cc(Cl)ncc3[nH]2)c(Br)c1 586976872 IBBMRUUDJWBDEU-UHFFFAOYSA-N 373.037 4.606 0 1 FJAF COc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1C 587011750 CFXOACULTNEHSS-UHFFFAOYSA-N 364.268 4.643 0 1 FJAF Cn1cc2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cccc2n1 587105331 YQOCFBODKNUBJV-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3c(c2[nH]1)CCCC3)C(C)(C)C 587205764 TZIVOWZCLGIKJM-QGZVFWFLSA-N 371.525 4.924 0 1 FJAF COc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC=C(C)C 587401247 UUTWNCTVSRHOFD-HXUWFJFHSA-N 367.445 4.637 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(OC)cc1)(C1CC1)CC2=O 587482146 SECXTFJBTQKVFM-QFIPXVFZSA-N 352.430 4.624 0 1 FJAF CSC[C@]1(C(C)(C)C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587845124 MXTPEPBFJMGQFR-QFYYESIMSA-N 360.336 4.727 0 1 FJAF O=C(c1ccc(OC2CCCC2)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873897 OXUSYVGQZXJOBH-UHFFFAOYSA-N 364.376 4.805 0 1 FJAF COc1ccc([C@H](O)[C@@H](C)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 587938672 YNWJIAUXECHABT-JDNHERCYSA-N 368.330 4.567 0 1 FJAF Cc1ccc(-c2nc3ccccn3c2[C@H]2NCCc3c(C)ccnc32)cc1C 963065564 FMCWXLHTJUVNNF-QHCPKHFHSA-N 368.484 4.557 0 1 FJAF COC(=O)C=CC=C[C@@H]1[C@H](C=CC=CCCCC(=O)O)C=C[C@@H]2CCC[C@H]12 2356553567 FMNXZOPVRFLFPQ-MHTWAQMVSA-N 370.489 4.858 0 1 FJAF CC(=O)OC[C@@H]1C=C(C)[C@]2(C)C(C)=CC[C@@H](OC(=O)C=C(C)C)[C@]2(C)C1 2356692764 KKLZNIQYCOGUJF-WKDRNLAYSA-N 360.494 4.756 0 1 FJAF Cc1ccccc1-c1cc2nc(NCc3ccccc3)n(C)c(=O)c2s1 61903372 RQDPWQMBKBIRSA-UHFFFAOYSA-N 361.470 4.583 0 3 FJAF COc1ccc2c(c1)N=C(c1ccc(F)cc1)N=C(c1ccc(F)cc1)N2 6743730 QPBMFBJKXXCFAP-UHFFFAOYSA-N 363.367 4.924 0 1 FJAF aggregator Cn1c(CCCCCCc2ccc3c(c2)OCO3)cc(=O)c2ccccc21 14591317 NTOLOAOKRJSWIN-UHFFFAOYSA-N 363.457 4.613 0 1 FJAF biogenic CC[C@](O)(c1cccc(OCc2ccc(F)c(F)c2)c1)c1nccs1 26283856 JQMMFNNRUNQNQT-IBGZPJMESA-N 361.413 4.646 0 1 FJAF CCN(C(N)=O)c1ccc(OCCn2c3ccccc3c3ccccc32)cc1 28818365 XLAICPXZFHBFJF-UHFFFAOYSA-N 373.456 4.779 0 1 FJAF C[C@H]1C[C@@H](OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 33526446 QWQRGWMBWMYNRI-AJSBUHFISA-N 373.581 4.533 0 1 FJAF COc1cc(-c2ccccc2)ccc1C(=O)Nc1ccc2c(c1)N(C)CCC2 40567016 OSBYKESNRCSWHC-UHFFFAOYSA-N 372.468 4.997 0 1 FJAF Oc1ccc(-c2ccc(-c3cn(CCCc4ccccc4)nn3)cc2)cc1 66113546 NIXYIYZZGPOGPX-UHFFFAOYSA-N 355.441 4.951 0 1 FJAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccccc2F)oc1C 82175052 NTGJVKVOQAFNBY-UHFFFAOYSA-N 352.413 4.909 0 1 FJAF c1cnc2c(c1)N(CCN1CCCCC1)c1c(cnc3ccccc13)S2 98082839 SOEWDSODMIPXKV-UHFFFAOYSA-N 362.502 4.718 0 1 FJAF Nc1nnc(-c2cccc3[nH]c(-c4ccc(-c5ccccc5)cc4)nc23)s1 144709450 DFOIRQYTDYPKCK-UHFFFAOYSA-N 369.453 4.998 0 1 FJAF CNc1nc(NC2(c3ccc(Cl)cc3)CCC2)cc(-c2ccccn2)n1 299837090 PLBKMJDLCJIFHY-UHFFFAOYSA-N 365.868 4.725 0 1 FJAF CN[C@H](c1cccnc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587227200 WNEIPWXOSPBUON-LJQANCHMSA-N 371.469 4.543 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)c1 587236506 WYGBTLXXBCAMQU-UHFFFAOYSA-N 361.376 4.776 0 1 FJAF C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350356 DOUSCSIGXBVLOK-OGMBNQJPSA-N 364.416 4.861 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587446586 ZHZXJKKBSVZQNW-OTURYTIQSA-N 350.458 4.813 0 1 FJAF Nc1cc2c(cc1Cl)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587500061 LKKFLZDNPQTINF-NRFANRHFSA-N 353.849 4.608 0 1 FJAF CN1CCC[C@@H]1[C@@H]1CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587517232 JNLZQDWXXMYRSQ-MIZPHKNDSA-N 353.506 4.554 0 1 FJAF CCOC(=O)[C@@H]1CCCCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524369 NCGFXRCHQRHWCX-CVDCTZTESA-N 370.489 4.803 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587819142 LJLAMZPFVKMURF-JWYKHVQJSA-N 352.291 4.774 0 1 FJAF COc1cc2c(cc1OC)[C@]1(c3ccc(Cl)cc3C[C@H]1C)N(C)[C@H](C)C2 962639189 PQHUSZMDZJFDPI-SOHPYSCWSA-N 371.908 4.669 0 1 FJAF Cc1ccc([C@@H]2NCCc3c(Cl)cc(Cl)cc32)c(Br)n1 963112970 UESUDJVTLUBMFM-AWEZNQCLSA-N 372.093 4.694 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2cc(F)cc(F)c2)n(C(C)(C)C)n1 2382253110 XDJHRPUZZBOPRA-UHFFFAOYSA-N 350.413 4.858 0 1 FJAF CC(C)Oc1cc(F)ccc1-c1cc(C(=O)Nc2cccc(Cl)c2)[nH]n1 61926118 ZBJWNEADFWWQAB-UHFFFAOYSA-N 373.815 4.909 0 3 FJAF COc1cc(F)ccc1Oc1ccc2c(-c3ccccc3F)noc2n1 205223275 UXTVNZDVYAWBSI-UHFFFAOYSA-N 354.312 4.969 0 3 FJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@@]13C=C(C(C)C)[C@@H](CC1=O)C[C@@H]32 1637771 UHJVGDFZCWFEKB-OGZBGPRWSA-N 358.522 4.944 0 1 FJAF CC(=O)NCCc1c2n(c3ccc(Cl)cc13)CCCc1ccccc1-2 13805852 GIFNVPVMIDLSAU-UHFFFAOYSA-N 352.865 4.587 0 1 FJAF c1ccc(CC2CCN(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1 13863653 SZBYLGXYPHNAOU-UHFFFAOYSA-N 372.516 4.510 0 1 FJAF COc1ccc2c(c1CC=C(C)C)O[C@H](c1ccc3c(c1)OCO3)CC2=O 14819261 NNVYSMQXBRNCKE-FQEVSTJZSA-N 366.413 4.639 0 1 FJAF biogenic COc1ccc2c(c1)O[C@H]1c3ccc(OC)c(CC=C(C)C)c3OC[C@@H]21 15115199 YOKYSHXYBLMBOT-AVRDEDQJSA-N 352.430 4.822 0 1 FJAF biogenic COc1ccc(CCCN2CCC(COCC3CCCCC3)CC2)cc1 26001375 ZRIRPNZQMICQMT-UHFFFAOYSA-N 359.554 4.937 0 1 FJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)s1 26672568 SVXOJPZSTRVYFC-UHFFFAOYSA-N 352.481 4.846 0 1 FJAF CC(=O)O[C@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 28863160 TWABYZAIMLYBQR-JBRXAOCBSA-N 363.501 4.600 0 1 FJAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@@H]3C)nc2-c2ccco2)oc1C 82165406 DQNWAQPUXAHPGM-LRDDRELGSA-N 352.438 4.999 0 1 FJAF CC[C@@H](C)Cn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178392 ASOLTIFXWSNPCX-MRXNPFEDSA-N 372.476 4.547 0 1 FJAF FC(F)(F)Oc1ccc(-c2nnc(SCc3ccccc3)o2)cc1 95755264 LIJWPEQTWPADGA-UHFFFAOYSA-N 352.337 4.928 0 1 FJAF CC(C)n1cc(-c2cccc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1 144858637 OKXYKTBGPQYZHZ-IBGZPJMESA-N 358.363 4.910 0 1 FJAF COc1ccccc1Nc1nc2cc(C(=O)O)ccc2c2sccc12 167745289 BBZGEAPHXBPJLR-UHFFFAOYSA-N 350.399 4.900 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(Cl)nccc2[nH]1 587077497 ZJVIRUKMLMRZTD-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF C/C=C/Cc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097242 JZJLPVPDQPMERP-SNAWJCMRSA-N 371.436 4.589 0 1 FJAF Cc1cc2[nH]c(-c3cccc(NC(=O)c4ccc(F)cc4)c3)nc2c(C)n1 587164345 SXUZRKVVUURJRC-UHFFFAOYSA-N 360.392 4.633 0 1 FJAF CC(C)[C@H](c1nc2cc(Cl)nc(Cl)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197604 KCELJYGGTRQRMK-GFCCVEGCSA-N 373.284 4.829 0 1 FJAF CC(=O)Nc1cccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1 587242798 RXRUEMSIRXWAMU-UHFFFAOYSA-N 367.758 4.784 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(SC(F)(F)F)cc1)O2 587381960 JFQHRGVIWPJBNA-HNNXBMFYSA-N 353.365 4.896 0 1 FJAF COc1cccc([C@H]2CCCC[C@]23Oc2cc(OC)cc4c2C(=O)[C@H]3C4)c1 587440247 BOFJESJBAGJRDB-PWHSHALESA-N 364.441 4.548 0 1 FJAF Cc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603652 OOSYRBJASYJXBU-REWPJTCUSA-N 358.393 4.504 0 1 FJAF CC(C)O[C@@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813408 VLELGBIMFFAOBS-YRILPIOLSA-N 370.306 4.541 0 1 FJAF COc1cc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1OC 587956328 XBGCIALEVKKFTO-SFHVURJKSA-N 358.441 4.955 0 1 FJAF N=C(N)c1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2c1 587957842 XAOKRSQNQREFHM-UHFFFAOYSA-N 372.513 4.765 0 1 FJAF CC1=CC[C@@H]2[C@@H](CCC(=O)C2(C)C)[C@H]1COc1ccc2ccc(=O)oc2c1 2356386639 QNYVPIIHDIDFPU-GBESFXJTSA-N 366.457 4.760 0 1 FJAF COc1cc(-n2cccc2-c2cc(C)c(OC)c(C)c2)cc(OC)c1OC 2382234032 FHARRLBZKSNUAX-UHFFFAOYSA-N 367.445 4.796 0 1 FJAF Cc1ccccc1N1CCN(C(=O)[C@H](C)c2ccc(CC(C)C)cc2)CC1 2382234506 DFNMQFIVITUXKN-HXUWFJFHSA-N 364.533 4.646 0 1 FJAF CCCCCCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1 2382260839 YNXMDRHVOXTCAK-UHFFFAOYSA-N 361.898 4.678 0 1 FJAF CSc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)c1 2468499 SAYYVEPDGUTVKI-CRAIPNDOSA-N 360.866 4.832 0 1 FJAF c1cncc([C@@H]2CCCCN2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 11663856 UPNRQPWUNVFBTH-IBGZPJMESA-N 358.445 4.945 0 1 FJAF C[C@@H](CN1CC[C@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1 13475608 LMKGEGFYXCALHV-OZWPHOJSSA-N 365.517 4.774 0 1 FJAF Clc1ccc(CN2CCc3ccccc3[C@@H]2Cn2ccnc2)c(Cl)c1 28762116 HBJAOCSVOWFVGR-FQEVSTJZSA-N 372.299 4.990 0 1 FJAF CSc1c(SC)c(OC(C)=O)c2cc(Cl)ccc2c1OC(C)=O 29318035 KYLJUPNXXUHBLQ-UHFFFAOYSA-N 370.879 4.788 0 1 FJAF CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@@H]3CC[C@]12C 31829857 DTHAAQPVIGTNAJ-CJMUYKIVSA-N 371.477 4.674 0 1 FJAF Cc1ccc(C(=O)c2nc(NCc3ccccc3)nc3ccsc23)s1 48999355 XNBQOSFSDAUEQP-UHFFFAOYSA-N 365.483 4.904 0 1 FJAF COc1ccc(CC(=O)N(C)c2cccc(-c3ccc(OC)cc3)c2)cc1 66100276 ULDJPCOTLLHGNI-UHFFFAOYSA-N 361.441 4.576 0 1 FJAF Cc1ccc(-c2csc(NC(=O)c3n[nH]cc3-c3ccccc3)n2)cc1 95563948 SSDSGSDIDJKSCG-UHFFFAOYSA-N 360.442 4.761 0 1 FJAF CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cc(Cl)c2oc(=S)[nH]c2c1 96934786 SVJYXHZBQURIEI-MRXNPFEDSA-N 371.849 4.841 0 1 FJAF CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@@H]1/C=C/c1ccccc1 103273648 KMIYDPACALBFAT-SJFMBGHLSA-N 355.441 4.582 0 1 FJAF CC(C)Oc1cc(/N=c2\sc(=S)n3n2CCCC3)c(F)cc1Cl 103279127 QQLUVEFGXDYNNA-JXAWBTAJSA-N 373.906 4.686 0 1 FJAF CC(=O)[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(C)=O)CC[C@@]4(O)[C@@H]3CC[C@@H]2C1 118935088 UOFFWLNONNOOOK-JGZHTJRDSA-N 360.538 4.554 0 1 FJAF COc1ccc2cc(CC[C@H](C)OC(=O)CC(C)(C)CC(=O)O)ccc2c1 169333141 IIRYIURVFXGFLH-HNNXBMFYSA-N 372.461 4.604 0 1 FJAF Cn1cc(COc2ncccc2-c2ccncc2)c2nc3ccccc3cc21 169337397 BVFVKGSNFARYLA-UHFFFAOYSA-N 366.424 4.763 0 1 FJAF Cc1cccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c12 586998850 QGWAUCPFHOXAEC-AATRIKPKSA-N 357.207 4.533 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(-n4cncn4)cc3)nc3cccc1c23 587103932 CFTNPZXLTLQKOO-UHFFFAOYSA-N 374.403 4.694 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2ccc3c(c2[nH]1)CCCC3 587116564 HSJCCZGVWTVJNP-UHFFFAOYSA-N 354.763 4.514 0 1 FJAF Cc1ccc(/C=C\c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587146605 SHPDDYJVUFAAAF-PLNGDYQASA-N 366.621 4.992 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587171025 XFIRTBIYBADQFW-GFCCVEGCSA-N 370.428 4.923 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(Cl)cc3)on1)O2 587379780 KXZRZWGVQKBPFK-SFHVURJKSA-N 354.793 4.592 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1csc(-c3csc(C)n3)c1)O2 587412585 JJMQOBJWXNFHLF-LJQANCHMSA-N 370.499 4.951 0 1 FJAF COc1cc2c3c(c1)O[C@](CC1CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419394 DVZMRJCSNRXWHP-LAUBAEHRSA-N 354.833 4.792 0 1 FJAF C[C@@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587510208 GCWPYGYDUCVPFN-RCDICMHDSA-N 373.493 4.593 0 1 FJAF COC(=O)CC[C@@]1(C)CCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523440 IXGKJOANOCIGGA-DHIUTWEWSA-N 370.489 4.803 0 1 FJAF O=C1C[C@H](c2c[nH]nc2-c2ccsc2)Oc2c1ccc1c2CCCC1 587536169 SVNPQMSLMOUYSV-GOSISDBHSA-N 350.443 4.724 0 1 FJAF C[C@]1(c2c(Cl)nc3sccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587540015 ZJKKLORAWZFKNK-LJQANCHMSA-N 372.877 4.809 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1F 587556232 WKBNVXVEDUCCTG-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF C[C@@]1(C2CCC(F)(F)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559203 ZNXUYBVRVWYSQM-XLIONFOSSA-N 374.383 4.938 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cnccc12 587586973 MMEDUEPQBUQTPB-OFNKIYASSA-N 369.376 4.643 0 1 FJAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587617391 OZYAUATZPOSHGG-RXVVDRJESA-N 350.370 4.641 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1cc(Cl)ccc1Cl 587648821 ICENNFGNELWYEX-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4cc(OC)ccc4[nH]3)cc2)c1 587781126 PWVKSTFGULSXDS-UHFFFAOYSA-N 360.413 4.826 0 1 FJAF CN(C)CCOc1ccc(-c2nc(-c3cc(F)ccc3F)cs2)cc1 587922707 XFLALSLWFVULKB-UHFFFAOYSA-N 360.429 4.696 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587952728 WFXOCUYGNAMSCC-TYILLQQXSA-N 356.445 4.934 0 1 FJAF COc1ccc(C(F)(F)F)cc1[C@@]1(C)NCCc2c1sc(C)c2C 963021425 JBEWOPQUPPFOGT-QGZVFWFLSA-N 355.425 4.802 0 1 FJAF COc1cccc(-n2cccc2[C@H]2c3ccc(F)cc3C[C@H]3CCCN32)c1 963096108 COOJDIDRHPWVHA-WZONZLPQSA-N 362.448 4.735 0 1 FJAF CCOC(=O)CCCCC[C@]1(C2CCC2)NCCc2cccc(Cl)c21 963389597 CEYGPUZWPIPTDI-OAQYLSRUSA-N 363.929 4.995 0 1 FJAF COC(=O)c1cccc(NC(=O)COc2ccc(C3CCCCC3)cc2)c1 1772571807 FTFFPYAMQKBSAI-UHFFFAOYSA-N 367.445 4.538 0 1 FJAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@H](O)[C@@]1(C)C=C(O)C(=O)O1 2356865600 WCQMJODEMARIPM-KAULMNLWSA-N 360.494 4.792 0 1 FJAF CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@H](C)C(=O)O 12358569 FQVCFJZTNNIPMH-SECBINFHSA-N 359.344 4.604 0 1 FJAF COc1c2c(c3c(=O)occc3c1OC)CC[C@@H]1C(C)(C)CCC[C@]21C 13483209 WKJIVSUNCMEFJU-QRQCRPRQSA-N 356.462 4.840 0 1 FJAF biogenic CO[C@@H]1C[C@H](CC[C@@]2(C)[C@H](C)CC[C@@]3(C)C(C(=O)O)=CCC[C@H]23)CO1 35825451 AGZLUBWOHWIZBV-UNJZARNNSA-N 350.499 4.639 0 1 FJAF COc1ccccc1C(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1 49054023 CPGXMVQJYLPITP-UHFFFAOYSA-N 369.424 4.800 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccccc3)c2O[C@H]1C(F)(F)F 64559053 UROLELMVGKTSPJ-OAHLLOKOSA-N 354.711 4.798 0 1 FJAF CC(=O)O[C@H]1C[C@@H]2[C@@](C)(C(=O)O)CCC[C@@]2(C)[C@@H]2C[C@]3(C)[C@@H]4C[C@]12C[C@@]43C 238786497 NLDXAZWXVUJQQN-LDMDYXHZSA-N 374.521 4.662 0 1 FJAF Cn1nccc1C1=CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 261177900 VHPGMNFYRNXNDD-LXNNMKQJSA-N 352.522 4.737 0 1 FJAF Clc1cccc(/C=C\c2nc3nc(Br)c[nH]c-3n2)c1Cl 587055656 WCXOMHCTQKIBAC-PLNGDYQASA-N 370.037 4.544 0 1 FJAF Fc1ccc2nc(CNc3ccccc3Cl)[nH]c2c1Br 587061453 GXZLJZKRPFKFKJ-UHFFFAOYSA-N 354.610 4.730 0 1 FJAF O=C1c2ccccc2-c2c(CCO)c(-c3ccc(F)cc3)nc3cccc1c23 587103291 FCQWMGZUARODHY-UHFFFAOYSA-N 369.395 4.787 0 1 FJAF N=c1[nH]c2cc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)ccc2o1 587103787 APPBONKQQSDUPB-UHFFFAOYSA-N 363.376 4.667 0 1 FJAF CNc1c(F)cccc1-c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587136362 YUVQPUMJGGNOEF-UHFFFAOYSA-N 359.710 4.963 0 1 FJAF Cc1ccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)nc2n1 587143930 CUYGEDFDROADQN-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF Cc1ccc(/C=C\c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587146473 MXJDFGKIYWHOBT-PLNGDYQASA-N 356.710 4.595 0 1 FJAF Cc1cc(Cl)cc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc12 587147228 HFKBMGZUHIMXKE-UHFFFAOYSA-N 358.779 4.870 0 1 FJAF COc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191462 LZAKEBKIVXHYDD-GOSISDBHSA-N 367.449 4.528 0 1 FJAF CC[C@]1(/C(C)=C/OC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587353674 RQYNKIMCDOTDJW-BMPCTQGYSA-N 356.393 4.589 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ncc(C(F)(F)F)cc1Cl)O2 587382524 MMIBNLQEIMCGER-INIZCTEOSA-N 370.758 4.525 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3c(cc1OCC1CC1)CCC3)O2 587400224 PKNDJKLCFUXCGT-JOCHJYFZSA-N 363.457 4.561 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)cc1OC)[C@@H](C2)C3=O 587444560 VHVUDRYCQGHNBG-YADARESESA-N 372.420 4.860 0 1 FJAF C[C@]1(CCCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544595 FIMBKTJXIBBBAQ-CRAIPNDOSA-N 366.335 4.845 0 1 FJAF COc1cc(C)ccc1OCc1nc2cc(C)cc(Br)c2[nH]1 587563969 KVSGMZZIRGURSP-UHFFFAOYSA-N 361.239 4.530 0 1 FJAF CC1(C)[C@H]2CCCC[C@H]2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587602574 IRXOVCAZYATQAG-KOCGSJPCSA-N 364.441 4.939 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CSC(C)(C)C)N1 587841142 PYCJGDQZAOEVOQ-QFYYESIMSA-N 360.336 4.869 0 1 FJAF O=C(Cc1nc(-c2cc(F)ccc2F)cs1)Nc1ccc(Cl)cc1 587921629 LXNBSBIMUFKNPU-UHFFFAOYSA-N 364.804 4.923 0 1 FJAF O=C(O)c1cc(F)cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c12 587949384 DXSZGQCVRLJTOV-UHFFFAOYSA-N 362.360 4.783 0 1 FJAF CC[C@]1(Cc2nc3cc(F)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587959351 DFSABBCSKYMGGG-HXUWFJFHSA-N 358.363 4.748 0 1 FJAF CC(=O)O[C@H]1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S 1857755191 ACSODSPFBAXSCX-KRWDZBQOSA-N 361.825 4.595 0 1 FJAF CCC=CCC=CC=C[C@@H](O)CC=CC=C[C@H](O)CCCCCC(=O)O 2356351616 BCWQNTXSYCKTHB-RTWAWAEBSA-N 362.510 4.715 0 1 FJAF CN(Cc1cccnc1)Cc1c[nH]nc1-c1ccc(-c2ccccc2)cc1 15961842 WEDLTCAIQDWOHA-UHFFFAOYSA-N 354.457 4.771 0 3 FJAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)NC2CCCC2)cc1 773884 FAUUINZZWPRMMH-UHFFFAOYSA-N 362.429 4.690 0 1 FJAF Fc1cc(Cl)c(OC(F)F)cc1-n1nc2c(c1Cl)CCCC2 6091128 UWGJTVNYZLNXLL-UHFFFAOYSA-N 351.155 4.798 0 1 FJAF Cc1ccc(Cn2c(C)c(CN[C@H]3CCCC[C@@H]3C)c(C(=O)O)c2C)cc1 6806729 OVYSVTDQIORIII-KKSFZXQISA-N 368.521 4.828 0 1 FJAF COc1cc(NC(=O)/C=C/c2ccc3ccccc3n2)ccc1-c1cnco1 12354269 GXYOXUMUYKDWBR-PKNBQFBNSA-N 371.396 4.550 0 1 FJAF Cc1cccc(CN2CCC(NC(=O)c3cccc4ccccc34)CC2)c1 28821367 ABLMFJDRLGQBCM-UHFFFAOYSA-N 358.485 4.543 0 1 FJAF Clc1ccc([C@H](COCc2cccs2)Cn2cncn2)c(Cl)c1 38987505 QAFSMHRWVCSHSK-LBPRGKRZSA-N 368.289 4.647 0 1 FJAF COc1cc2ncnc(-c3c[nH]c4cc(F)c(Cl)cc34)c2cc1OC 40913817 CKNICHHQTFEWGN-UHFFFAOYSA-N 357.772 4.588 0 1 FJAF CC[C@H](C)Cn1c(CCc2ccccc2)nc2c(NCC(C)C)ncnc21 82221635 ACNZNQAULLPQEO-KRWDZBQOSA-N 365.525 4.726 0 1 FJAF CC/C=C/c1cc2c(cc1N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C2 95582441 PZDMWOGAQQZXGY-CQQBXOTJSA-N 357.542 4.907 0 1 FJAF O=C(Nc1ccc(F)cc1)Nc1cc(CC2CC2)nn1-c1ccccc1 96273851 FSXVXGIXJHYALR-UHFFFAOYSA-N 350.397 4.608 0 1 FJAF COc1ccc(Oc2cc(NC[C@H]3CC[C@@H]4C[C@@H]3C4(C)C)ncn2)cc1 104930450 RINBHRNIRDMPQP-RKVPGOIHSA-N 353.466 4.762 0 1 FJAF O[C@]1(c2ccco2)CCN2C[C@@H]3c4ccccc4CCc4cccc(c43)[C@H]2C1 169319892 PVIODKKKZGSADP-TZBSWOFLSA-N 371.480 4.548 0 1 FJAF CCc1c([C@H](C)c2c(F)cccc2Cl)nc(SC(C)C)[nH]c1=O 169352208 DDGKQZBTWCQEJL-SNVBAGLBSA-N 354.878 4.777 0 1 FJAF C[C@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218973679 FPSDTUMOZJNGET-XQIYRAAOSA-N 355.522 4.659 0 1 FJAF O=C1c2ccoc2CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 586907937 OWSSQNZCYRJMMP-QMMMGPOBSA-N 368.742 4.816 0 1 FJAF Brc1cccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587036742 LKEFIPOJBVUDFW-CYBMUJFWSA-N 351.294 4.766 0 1 FJAF Clc1ccc(-c2nnc(CCc3nc4cccc(Cl)c4[nH]3)o2)cc1 587077199 TXRCDXABJMCHTK-UHFFFAOYSA-N 359.216 4.705 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(F)c(F)c3[nH]2)c1 587158214 HVAMRXFLXWOZRF-UHFFFAOYSA-N 364.330 4.986 0 1 FJAF O=C(O)Cc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587207259 PHDPSRWCMKEDAB-UHFFFAOYSA-N 365.388 4.740 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cc4c(cc3O)OCO4)nc3cccc1c23 587208891 FCKFNANBDVLQBK-UHFFFAOYSA-N 367.360 4.548 0 1 FJAF Cc1ccc2c(ccc3nc(C[C@H](N)c4cccc5ccccc45)[nH]c32)n1 587258389 JTUNZAPMIFTUQC-IBGZPJMESA-N 352.441 4.815 0 1 FJAF Cc1ccc(N2C[C@@H](C(=O)c3coc4ccc(Cl)cc34)CC2=O)cc1 587278513 PFEZSBHMQXMEEH-ZDUSSCGKSA-N 353.805 4.630 0 1 FJAF Cc1cc(C)cc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)c1 587565022 UJWQFVRPIHSBPO-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc2ccccc2cn1 587588569 TVCQNPVOKODLPW-OFNKIYASSA-N 369.376 4.643 0 1 FJAF C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613485 PCVLBQIKWKKKBL-APWZRJJASA-N 372.829 4.984 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587722660 ZMTHPIWWQAFEHH-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF Cc1cc(-c2ccc3ncc4nnn([C@@H](C)c5ccccc5)c4c3c2)ccn1 1772582006 IJELDUSMVKXTCW-INIZCTEOSA-N 365.440 4.959 0 1 FJAF COc1cc(OC)c2c(=O)c(Cc3ccc(Cl)c(Cl)c3)coc2c1 1772624903 DLMOULIPHVCQCD-UHFFFAOYSA-N 365.212 4.708 0 1 FJAF Cc1cc(O)c2c(c1)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@@]21C 254014338 VZUZGWPYCWZJQF-YBQFYELESA-N 366.501 4.505 0 3 FJAF COc1ccc(-c2cccc(-c3cc(OC)c(OC)c(OC)c3)c2)cc1O 13608709 GKDJHJHVHZFKEG-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF O=C1CCC[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 13730568 XQLJSGHDHXMAFP-KRWDZBQOSA-N 364.470 4.932 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 36177156 MRDOIVGFARRMGI-MXEMCNAFSA-N 359.473 4.779 0 1 FJAF COc1ccccc1NC(=O)N[C@@H]1CC(C)(C)Oc2ccc(Cl)cc21 38248943 HMCGKYFKVRURFE-OAHLLOKOSA-N 360.841 4.773 0 1 FJAF C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc(Cl)nc3)ccc2c1 49785228 IVVRZZSSLSFZID-OAHLLOKOSA-N 351.881 4.977 0 1 FJAF CCc1cnc(-c2cnc(N3CCCCC3)nc2-c2ccccc2F)s1 82175683 IOVHOXGKYKFOEH-UHFFFAOYSA-N 368.481 4.959 0 1 FJAF CCCCCn1c(CC(C)C)nc2c(NCc3cccs3)ncnc21 82178351 CDGQMYDPRIKXLV-UHFFFAOYSA-N 357.527 4.889 0 1 FJAF CCN(CC)CCn1c(-c2ccccc2OC)nc2cc(Cl)ccc21 95583415 YTTAMHKQGLUCET-UHFFFAOYSA-N 357.885 4.707 0 1 FJAF CC(C)(C)c1ccc(NC(=O)N2CCc3c([nH]c4ccc(O)cc34)C2)cc1 95598208 HFOVEBXKPMCLNH-UHFFFAOYSA-N 363.461 4.761 0 1 FJAF Cc1csc(-c2nc(N)c3cc([C@@H](C)c4ccccc4)sc3n2)n1 96908909 TZEFSFNRGUGGIZ-NSHDSACASA-N 352.488 4.857 0 1 FJAF CCOc1ccc(-c2cc(-c3ccccc3O)nc(=S)[nH]2)cc1OC 103219982 XSOFCUJKGPQQKI-UHFFFAOYSA-N 354.431 4.586 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc([N+](=O)[O-])c(C(C)C)cc3CC[C@H]21 145624589 XBUFZKNDDLUKGC-HMXCVIKNSA-N 359.466 4.902 0 1 FJAF Oc1csc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)n1 169726267 BLSMXBYXZBWETN-INIZCTEOSA-N 355.850 4.858 0 1 FJAF O=C(O)c1cccc(Cc2c(-c3ccccc3)nn3cc(C4CC4)ccc23)n1 216341131 GFPYQYCDGAVNDN-UHFFFAOYSA-N 369.424 4.563 0 1 FJAF CCCCCc1cnc(-n2nc(OCC)c(Cc3ccccc3)c2C)nc1 299872003 ZPVJPVYEIBJFGB-UHFFFAOYSA-N 364.493 4.693 0 1 FJAF COC(=O)c1ccc2nc(-c3cc(C(C)C)cc(C(C)C)c3O)[nH]c2c1 586896769 PCRJAPXRWWIHKF-UHFFFAOYSA-N 352.434 4.969 0 1 FJAF Cc1c(Cl)ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587003496 LBAIYZVLYVUHPT-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF Fc1c(F)c(F)c(/C=C/c2nc3ccc4ncccc4c3[nH]2)c(F)c1F 587135387 YUAXMYXAAMMESE-ZZXKWVIFSA-N 361.273 4.977 0 1 FJAF N[C@@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@H]1c1ccccc1F 587155688 KBISFFRXNHKRAO-QFYYESIMSA-N 369.749 4.716 0 1 FJAF Nc1cc(-c2nc3cc(F)cc(Br)c3[nH]2)c2ccccc2c1 587251777 MSDIELNPVJJPNF-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF COc1cc(C(=O)c2coc3ccc(Cl)cc23)ccc1OC(F)F 587278425 MVMAMXNIHZVASD-UHFFFAOYSA-N 352.720 4.927 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(C)c(C)c1)(c1ccco1)[C@@H](C2)C3=O 587456649 WSBRVDQEVRPOSR-MBSDFSHPSA-N 360.409 4.596 0 1 FJAF C[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557386 NEHCAZIGQSFBMW-GHTZIAJQSA-N 368.335 4.547 0 1 FJAF CS[C@@H]1CCCC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587843891 KTERTAKFUMNQFD-CKUKBARFSA-N 358.320 4.623 0 1 FJAF N[C@H](N=O)c1cccc(NC(=O)OC2c3ccccc3-c3ccccc32)c1 957756895 ZKLKJOWTFYLYAZ-HXUWFJFHSA-N 359.385 4.729 0 1 FJAF Cc1ccc([C@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN23)cc1F 962636858 JGFIEYJHLPXUCO-RDGATRHJSA-N 372.487 4.970 0 1 FJAF C[C@]1(c2cc(F)cnc2Cl)NCCc2cc(-c3ccccc3)ccc21 962668826 OAYBFWJUEHDSEI-NRFANRHFSA-N 352.840 4.950 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc3c(s2)CCCC3)N1 962939933 CIIJCVAVWYQPQP-LRTDBIEQSA-N 351.519 4.691 0 1 FJAF CN(C/C=C/c1ccc(C(C)(C)C)cc1)Cc1ccc2c(c1)OCCO2 1857538696 GTTOFGJCEIYCTH-AATRIKPKSA-N 351.490 4.901 0 1 FJAF COC(=O)c1ccc2ccc(C(=O)c3ccc(C(F)(F)F)cc3)c-2cc1 1857769989 RYWHVJMSFXMPSE-UHFFFAOYSA-N 358.315 4.828 0 1 FJAF CCCC(=O)c1cnc2c(OC)cc(O)cc2c1Nc1ccccc1C 13742211 NHFIAXWNEMQAPR-UHFFFAOYSA-N 350.418 4.984 0 1 FJAF Cc1cc2c(cc1Br)[C@@]1(C)CC[C@@](CBr)(O2)[C@H]1C 15216209 AWQMSPLOQAUGPT-LKTVYLICSA-N 374.116 4.971 0 1 FJAF biogenic Cc1ccc2c(c1)[C@@H](N1CCN(C)C(C)(C)C1)C[C@H]2c1ccc(F)cc1 36238041 QMRDYJDBHVLYNI-UNMCSNQZSA-N 352.497 4.737 0 1 FJAF O=C(Nc1n[nH]c2nc(-c3ccc(-c4ccccc4)cc3)ccc12)C1CC1 40980101 LOFXNMLMVSKAQV-UHFFFAOYSA-N 354.413 4.640 0 1 FJAF CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 45353419 QABUURICQJOWID-MRXNPFEDSA-N 358.873 4.587 0 1 FJAF in-vivo Cc1cccc(C)c1Nc1nnc([C@@H](O)c2ccc(F)c(Cl)c2)s1 82081869 ACKOZALYOMTOJW-HNNXBMFYSA-N 363.845 4.773 0 1 FJAF Brc1cc(O[C@H]2C[C@@H]3CC[C@H](C2)N3)cc(-c2ccccc2)c1 101387206 OKLKBYAVPPRKEG-IZZQQSIFSA-N 358.279 4.778 0 1 FJAF O=C(c1ccccc1)c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144709504 BCESKXHCRYSDTM-HXUWFJFHSA-N 354.327 4.696 0 1 FJAF O=C(CNCC1CCCCC1)N1CCc2ccccc2[C@H]1C1CCCCC1 169006364 QIUGFMUGPGWDKI-XMMPIXPASA-N 368.565 4.863 0 1 FJAF CC(=O)O[C@@H]1C[C@@H](C)[C@@](C)(CCC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C 238781564 LECAKRZOTZHHCK-AJRYFVBISA-N 360.494 4.590 0 1 FJAF CCCCCc1c(C(=O)O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991321 SYRCEQDXNSANPS-UHFFFAOYSA-N 361.397 4.583 0 1 FJAF Fc1cc(Cl)cc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c12 587001948 BRSABVNEEVWHBX-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF CC(=O)c1ccc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c1 587017816 PZCLUGCPMBCUAE-UHFFFAOYSA-N 354.822 4.604 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4c(C)cncc4[nH]3)cc2)n1 587020468 AFFVVGQJAWTFSP-UHFFFAOYSA-N 352.488 4.991 0 1 FJAF COC(=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)s1 587207633 HXQLEYRAKPFIEE-UHFFFAOYSA-N 371.417 4.961 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cccc(C(C)(C)C)c3[nH]2)cn1 587244627 HIZHSAPNAHWTRR-UHFFFAOYSA-N 350.466 4.907 0 1 FJAF CCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)c(OCCC)c1 587399510 KKJCFXCQSASTPA-OAQYLSRUSA-N 369.461 4.861 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3nccc-3cc1Cl)CC2=O 587462175 NDGPGFPAPDNYSH-INIZCTEOSA-N 356.809 4.533 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)cc(OC)c(C)c1C)CC2=O 587484062 XOZGVWKOTRGQIL-HXUWFJFHSA-N 354.446 4.985 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(C3CC3)nc3sccn13)CC2=O 587499214 LMXAAUKZGHSBEC-INIZCTEOSA-N 368.458 4.638 0 1 FJAF Cc1[nH]c2ccccc2c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587497 GTAKJYFZSCKJBC-NZQKXSOJSA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cccnc12 587587783 PUOITZAOJJNKQJ-AUSIDOKSSA-N 369.376 4.643 0 1 FJAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(Cl)cc3)c(C(F)(F)F)c2c1 587648773 ASLDRHKPLZZTOW-UHFFFAOYSA-N 373.783 4.911 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(F)cc2)N1 587737093 WDUNCEDTLBGUNR-ZUZCIYMTSA-N 352.222 4.545 0 1 FJAF CCN(CC)CC(C)(C)[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587743995 YLVYNMJNRQKHLB-PXAZEXFGSA-N 371.338 4.532 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587951890 JONAYJYNALMITA-KNBMTAEXSA-N 359.514 4.550 0 1 FJAF O=C([C@@H]1Cc2ccccc2[C@H](c2csc3ccccc23)N1)C(F)(F)F 962763292 JZMABGMCZBDUJT-DOTOQJQBSA-N 361.388 4.636 0 1 FJAF Cc1ccccc1C(=C1C(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 1857624470 OELOPFDNUFWHKR-UHFFFAOYSA-N 351.409 4.783 0 1 FJAF CC(C)Cc1sc(-c2nccs2)nc1C(=O)Nc1ccc(F)cc1 2382249084 REGTVLNRBFUATB-UHFFFAOYSA-N 361.467 4.857 0 1 FJAF c1ccc(-c2nnc3c4ccccc4c(OCc4ccsc4)nn23)cc1 13559983 WEDYAXJXVWGXMB-UHFFFAOYSA-N 358.426 4.585 0 1 FJAF O=C(O)C[C@@]1(CC2CC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49051753 MSRQXMJCXMMJIJ-QGZVFWFLSA-N 354.233 4.518 0 1 FJAF Cc1cccc(C)c1CNc1nc(N2CCCC2=O)cc2c(C)c(C)[nH]c12 49053311 SZPJAZAOTADHKI-UHFFFAOYSA-N 362.477 4.535 0 1 FJAF CC1(C)C[C@](NC(=O)Nc2cccc(Cl)c2)(c2ccccc2)CCO1 72110930 CJUUSEPQKBDBOT-FQEVSTJZSA-N 358.869 4.946 0 1 FJAF Clc1ccccc1-n1cc(CSc2nc3ccccc3s2)nn1 82149240 HBAUCUORDJATMA-UHFFFAOYSA-N 358.879 4.823 0 1 FJAF COc1ccc2c(c1)sc1c(Nc3ccc(OC)c(OC)c3)ncnc12 95594864 ACAUCFBBNHZFJX-UHFFFAOYSA-N 367.430 4.614 0 1 FJAF S=c1oc(-c2ccc(Cl)cc2Cl)nn1CNc1ccccn1 103290904 GUOMXKFOZTXSQY-UHFFFAOYSA-N 353.234 4.644 0 1 FJAF COc1ccc([C@H]2C3=C(O)CCCC3=Nc3cc(OC)cc(OC)c32)cc1 103670034 RAXCZGXWMZGYRB-FQEVSTJZSA-N 365.429 4.926 0 1 FJAF C[C@H]1Cc2c([nH]c3ccccc23)C2(CCC(c3ccccc3)(N(C)C)CC2)N1 114384383 CRRFNIPBMBTDTD-UTTDKNERSA-N 373.544 4.929 0 1 FJAF CCCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C 168836752 ACAFIORPGNSDEH-YOEHRIQHSA-N 361.445 4.771 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3cccc(OCc4ccccc4)c3[nH]1)C2 586885349 MDKSRTPZPNFKFC-OKZBNKHCSA-N 358.441 4.781 0 1 FJAF Cc1cc2c(Br)ccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2o1 587004444 SWTFXADKPJHSDO-UHFFFAOYSA-N 371.190 4.776 0 1 FJAF Cc1nc(C)c(Cc2nc3cc(Br)cc(Cl)c3[nH]2)s1 587011539 IHPRCTYBEFPIMP-UHFFFAOYSA-N 356.676 4.643 0 1 FJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4cccc(F)c4[nH]3)c2C1 587032355 UGXHMQYSZDCPCT-UHFFFAOYSA-N 373.453 4.724 0 1 FJAF CCCCOC(=O)Cc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096254 IIEWGGOPLWJLSJ-UHFFFAOYSA-N 373.452 4.949 0 1 FJAF Fc1ncc(Br)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587178116 QIJDKZXBYBHKDC-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]nc1-c1ccc(C(C)C)cc1)O2 587397605 YIZXGTMXNFSSRR-HXUWFJFHSA-N 361.445 4.797 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(O)c4)cc1)[C@@H](C2)C3=O 587452388 UDXUCLCVRWXQFY-WMZHIEFXSA-N 358.393 4.557 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(F)c1F 587554776 FHKOFOPABVAKCR-QRWLVFNGSA-N 372.298 4.512 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(F)ccc1F 587655570 NLDLPSURWKAYBX-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF CC(C)[C@@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706499 QMHASHPHBRLTEI-ISVAXAHUSA-N 354.185 4.536 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724919 MLDZJIKLNSJLOD-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)cc1O 587787926 ZWZQIBAZGKPRHG-UHFFFAOYSA-N 365.820 4.968 0 1 FJAF CC[C@]12CC[C@H](C[C@]13N[C@@H](C)Cc1cc(Br)c(F)cc13)C2 587824902 AZVPYTHAYQBNLM-YDOWWZDFSA-N 352.291 4.918 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1nccnc1C1CCC1 587863244 WACPIVGQUMFPSG-UHFFFAOYSA-N 374.366 4.624 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(Br)cnc2[nH]1 587952484 RVWRDGJUGGZIAM-SUHUHFCYSA-N 352.276 4.767 0 1 FJAF N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@H](CSc2ccccc2)C3)C1 1911578541 LRQMAAXMARQRAB-JWNTYJGQSA-N 367.558 4.541 0 1 FJAF COc1ccc([C@@H]2OCc3ccccc3S2)cc1SC(=O)N(C)C 2356669916 SEGUOZKOMGRILO-QGZVFWFLSA-N 361.488 4.790 0 1 FJAF O=C(c1ccccc1)[C@@H]1Cc2c(ccc3cc(Br)ccc23)O1 2382234895 VCDLSCKDMRLXAJ-SFHVURJKSA-N 353.215 4.789 0 1 FJAF COc1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1 205211784 RMNPTXHFXCZUPO-UHFFFAOYSA-N 373.412 4.753 0 3 FJAF NCCCNc1nc(-c2ccc(-c3ccsc3)cc2)cc2ncccc12 13489166 MVCGOFVBSSIGJA-UHFFFAOYSA-N 360.486 4.786 0 1 FJAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4ccoc34)c2c1 13581111 WNRBGXHMJJCVAE-UHFFFAOYSA-N 352.409 4.654 0 1 FJAF c1ccc2oc(Oc3ccc(OCCCN4CCCCC4)cc3)nc2c1 40936579 AXAJOTXUFNUVRQ-UHFFFAOYSA-N 352.434 4.875 0 1 FJAF Clc1ncc([C@H]2C[C@@H]3CC[C@H]2N3)cc1-c1cccc(Br)c1 49113641 AZUKJENWDLWCOX-SQWLQELKSA-N 363.686 4.772 0 1 FJAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCCC[C@H]3[C@]12c1ccccc1 105507723 RHTNTPVCOFBZJY-GMKZXUHWSA-N 374.484 4.512 0 1 FJAF COc1cc2c(cn1)[nH]c1ncc(-c3ccc(CN4CCCCC4)cc3)cc12 116145669 YXEHPUNPSRNFKC-UHFFFAOYSA-N 372.472 4.773 0 1 FJAF CCOC(=O)C1=C(c2ccccc2)N=C(CC)[C@H](C(=O)SCC)[C@H]1CC 169721246 JYPJHRNDZDLFTD-NVXWUHKLSA-N 373.518 4.748 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(C)[C@H](C)C1=O 238737065 RAWJLQOZIWQUKM-UQVWTVIVSA-N 360.494 4.812 0 1 FJAF CCCCC[C@H]1CC[C@H]2[C@@H](CC(=O)[C@@H]2C/C=C\CCCC(=O)OC)O1 238750515 FCMFHXNVRJAYJM-IRRXTAOVSA-N 350.499 4.609 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(CCc2ccccc2)C[C@H]1C 256068390 ODPKHHGQKIYCTJ-TXTKFYIRSA-N 364.533 4.771 0 1 FJAF in-man c1ccc(CNCC[C@@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 473169242 MQXZNBYJMAMDBU-XMMPIXPASA-N 373.496 4.526 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)s1 587013993 FUCUZVPPFFZCAB-ZCFIWIBFSA-N 359.348 4.649 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2ccc([C@@H](N)N=O)cc2[nH]1 587111925 CCNDSZKEVQUVFV-QFYYESIMSA-N 362.355 4.652 0 1 FJAF COc1nccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587126212 WDTTZIYJJCCKAB-DAXSKMNVSA-N 351.353 4.749 0 1 FJAF COc1c(F)ccc(-c2nc3ccc(OCc4ccccc4)cc3[nH]2)c1N 587133348 OVBNRNXUYIEBCR-UHFFFAOYSA-N 363.392 4.539 0 1 FJAF Fc1cccc([C@H]2C[C@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587149717 AHEJLMNFVWICBL-RNFRBKRXSA-N 374.700 4.526 0 1 FJAF Nc1ccc(-c2ccc3nc(/C=C\c4ccc(F)cc4F)[nH]c3c2)cc1N 587150724 OPJRNUBZTRDOBU-YWEYNIOJSA-N 362.383 4.843 0 1 FJAF Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)OCCCO5)CCCC2)cc1 587237849 ZWHXLPIZOPLOFL-UHFFFAOYSA-N 363.461 4.914 0 1 FJAF C[C@]1(C2CCSCC2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587375087 QOMPKEMWDOVBJT-TZIWHRDSSA-N 372.461 4.792 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)c(Cl)c1)O2 587378247 TTXULSQWEGCEDH-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)c(F)c(Cl)c1)[C@@H](C2)C3=O 587424630 QKGICXMBWYBKPK-DYZYQPBXSA-N 353.176 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)F)c(OC)c1)CC2=O 587467840 UTWZSCJKICXWLE-KRWDZBQOSA-N 362.372 4.997 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CC(C)(C)O3)CC2=O 587475915 BDIZCVLCSWRVJF-FQEVSTJZSA-N 352.430 4.765 0 1 FJAF CCc1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587587683 HJKQBBNHVDRZGY-XMSQKQJNSA-N 363.413 4.602 0 1 FJAF CCN(CC)CC(C)(C)[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587743658 XODMYAAMIUVRFM-SJKOYZFVSA-N 371.338 4.532 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(C)c(Cl)c1 587869784 RPEBKDQLWRCOOC-UHFFFAOYSA-N 358.800 4.738 0 1 FJAF COc1cc(C)ccc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587924689 AWHWWQNBMIQOFK-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3c(F)c(F)c(F)c(F)c3[nH]2)CC1 587969848 ANOIGXZMDDAGTG-UHFFFAOYSA-N 362.326 4.549 0 1 FJAF COc1cc2c(cc1OC)[C@@](C)([C@@]13C[C@@H]4C[C@H]1C[C@@H](C4)C3)N(C)[C@H](C)C2 962565742 INPGWVVWFYDRLJ-FKVZBUIXSA-N 355.522 4.622 0 1 FJAF COc1cccc([C@H]2Oc3ccc(F)cc3[C@@H]2c2ccc3c(c2)OCO3)c1 1857635408 ODFZNJGNLMOTLY-FCHUYYIVSA-N 364.372 4.829 0 1 FJAF CC1=CC[C@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)C(=O)CC(C)(C)[C@H]12 2356469669 WTQJTXGHXWJQCP-XORNHQRDSA-N 366.457 4.760 0 1 FJAF CC(=O)OC[C@@H]1CC[C@@H]([C@H](C)CCC=C(C)C)c2cc(C(=O)O)cc(O)c21 2356475965 WWSLEIZYHDWGFE-HFTRVMKXSA-N 374.477 4.997 0 1 FJAF C=Cc1ccc(Cn2c(=O)cc(C)c3c(C)nn(-c4cccc(F)c4)c32)cc1 6917780 UDNCVMIWZOULOB-UHFFFAOYSA-N 373.431 4.634 0 1 FJAF CC(C)N(C[C@H]1C[C@@H]2c3ccccc3Cc3ccccc3N2O1)C(C)C 13436876 HXBMOXWVYIRYHK-NFBKMPQASA-N 350.506 4.961 0 1 FJAF CCCC[C@H](CC)Nc1nc(C)nc2c1nnn2-c1c(C)cc(C)cc1C 13795005 LYXINASPXAIWST-KRWDZBQOSA-N 366.513 4.825 0 1 FJAF OCc1ccc2c(c1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28822276 BERKODPQGRAHDD-UHFFFAOYSA-N 354.409 4.513 0 1 FJAF in-vitro CC(C)(C)c1ccc2c(c1)CC[C@@H]2NC(=S)Nc1cccc2[nH]ncc12 28964989 YUUDESVPIRVOGN-SFHVURJKSA-N 364.518 4.834 0 1 FJAF Cc1ccccc1-n1c(/C=C/c2ccccn2)nc2cc(Cl)ccc2c1=O 29479778 IRSLFBOEKZDCQE-ZRDIBKRKSA-N 373.843 4.913 0 1 FJAF COc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc2c1 32544450 UGAIIEVYBGTBNB-UHFFFAOYSA-N 357.413 4.961 0 1 FJAF COc1cc2c(cc1Br)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 49113532 SZPRQVJSLFYHPW-SSTWWWIQSA-N 365.311 4.675 0 1 FJAF Clc1ccc(Nc2c(-c3ccc4[nH]ncc4c3)nc3ncccn23)cc1 66073642 SENUIYRNLCTXDG-UHFFFAOYSA-N 360.808 4.670 0 1 FJAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccccc3)n2)o1 82162496 VPMVPLUPHHLINB-UHFFFAOYSA-N 360.417 4.929 0 1 FJAF COc1ccccc1NC(=O)Nc1ccc(-c2ncnc3[nH]cc(C)c23)cc1 141563131 NQYCZCPRZMAAML-UHFFFAOYSA-N 373.416 4.586 0 1 FJAF OC[C@@H]1[C@@H]2CC[C@@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 169291772 HMYQAZJCQGMLQI-RWQWFBMJSA-N 359.513 4.850 0 1 FJAF COc1cc(/C=C\c2nc3cc(C)c(F)cc3[nH]2)ccc1Br 586975437 COTKRVBUPJSUDZ-XQRVVYSFSA-N 361.214 4.952 0 1 FJAF Cc1cc(C)c2[nH]c(/C=C\c3cc4c(cc3Br)OCO4)nc2c1 586997839 DCLLCFNHXZOHBY-ARJAWSKDSA-N 371.234 4.841 0 1 FJAF COc1cc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2cc1F 587065177 LFQQRXNOUNMPTG-UHFFFAOYSA-N 370.815 4.834 0 1 FJAF Nc1cc2nc(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)[nH]c2cc1N 587071810 QIYSNBBIUVYCKB-UHFFFAOYSA-N 370.243 4.763 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2n1 587116024 KHEKKMHXGGRIDO-UHFFFAOYSA-N 371.366 4.884 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4cnc5ccccc5c4[nH]3)cc2[nH]1 587120781 VLALIOMUYRQNLT-UHFFFAOYSA-N 353.307 4.673 0 1 FJAF COc1cc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2cn1 587241042 PACMOUQMMGAYSR-UHFFFAOYSA-N 359.433 4.576 0 1 FJAF CC[C@]1(c2ccc3cc(OC)ccc3c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587440605 BYJKSDJEXGGIPF-HYBUGGRVSA-N 374.436 4.910 0 1 FJAF CN(C(=O)OC(C)(C)C)C(C)(C)[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587509503 ZLTZEPBYAOERKF-SFHVURJKSA-N 373.493 4.545 0 1 FJAF COCc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587526484 UGCBUDJDAMYSOM-HSZRJFAPSA-N 366.457 4.601 0 1 FJAF Cc1c(F)ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587557816 OQIQTFQQTZXQKF-LAUBAEHRSA-N 368.335 4.682 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(F)c(F)c2F)N1 587714802 BPJRAOVNHHPWTD-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF CCC[C@@]1(c2cccnc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587774971 OZAXXCQRJTWOMJ-SGTLLEGYSA-N 363.274 4.561 0 1 FJAF CCc1c(C)[nH]c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587793569 QYSCXYWJKCMTLA-LZVRBXCZSA-N 365.290 4.719 0 1 FJAF CSc1cccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587841818 BVHMGQXAOQMDGA-BMLIUANNSA-N 366.299 4.934 0 1 FJAF Brc1ccc2c(c1)[C@H](C1=Cc3ccccc3OC1)NC1(CC1)C2 961329844 ZVOXQTMVHUOGNW-IBGZPJMESA-N 368.274 4.645 0 1 FJAF CC[C@H](C)C[C@@]1(c2ccccn2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962628531 POPSFESJVCOSHI-YGKZAACZSA-N 368.521 4.655 0 1 FJAF Oc1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)cc3)c2c1 1857576150 DTGDRUPXPWGGMY-UHFFFAOYSA-N 361.376 4.797 0 1 FJAF CC[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@@H](N)C[C@]4(C)[C@H]3CC[C@]12C 1857623971 ZSSPHCDGLYDLSV-MOEMUNJPSA-N 359.554 4.844 0 1 FJAF O[C@H](c1cc(F)cc(Cl)c1)c1ncc(-c2cccc(C(F)(F)F)c2)[nH]1 61928858 VJWCRIWNBXGSEW-OAHLLOKOSA-N 370.733 4.970 0 3 FJAF C[C@H]1Sc2ccccc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O 61929399 MQHWTBGOWAWHEM-LLVKDONJSA-N 353.365 4.613 0 3 FJAF CN(CCc1ccccc1)C(=O)c1ccc2c(c1)ncn2C1CCCCC1 201460384 URMMMLHMXTYTDB-UHFFFAOYSA-N 361.489 4.856 0 3 FJAF CC(C)[C@@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773762 LXOFPFQSOTZFBK-GFCCVEGCSA-N 358.438 4.984 0 1 FJAF N[C@@H](CCCCCCCCCCc1ccccc1)CCP(=O)(O)O 27095627 KARRQFDDSYYFAE-IBGZPJMESA-N 355.459 4.635 0 1 FJAF O=C1Nc2ccccc2C(c2ccccc2)=N[C@H]1Cc1c[nH]c2ccccc12 28241363 FAERGZYQYDZYEL-QFIPXVFZSA-N 365.436 4.569 0 1 FJAF O[C@H]1C[C@H](CN2CCC(c3ccccc3Cl)CC2)CCc2cccnc21 40423085 LEEXRKTXTQAPQU-IERDGZPVSA-N 370.924 4.601 0 1 FJAF c1ccc(-c2cccc(-c3cc(NCCc4ccccn4)ncn3)c2)cc1 82160769 ZERZDBIGIISGQL-UHFFFAOYSA-N 352.441 4.860 0 1 FJAF CC(C)Cc1ccc([C@H](C)c2nnc3sc(-c4ccco4)nn23)cc1 103216989 QHJXSLXDDUXRLS-ZDUSSCGKSA-N 352.463 4.796 0 1 FJAF 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CN1CCC2(N3CCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 45291565 IEEUUMSWWJYKDX-HHLXFHKQSA-N 360.545 4.887 0 1 FJAF CC1(C)C[C@@]2(CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)OC1=O 49125108 AYCHOLUFFJBVQG-ILCQWTCRSA-N 354.490 4.960 0 1 FJAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccc(F)cc2)cc1)n1ccnc1 95561126 JCSZGGFDFBJQKT-IBGZPJMESA-N 367.424 4.554 0 1 FJAF CN1CC[C@@H](c2c[nH]c3ccc(CC(=N)c4cccs4)cc23)[C@H](F)C1 96177602 RBZUCPXDPIJHPJ-WMLDXEAASA-N 355.482 4.597 0 1 FJAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccccn2)s1 96935099 KLBPFYGQPXRYTN-UHFFFAOYSA-N 366.233 4.551 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370026 RPIWNKCKNAVMOS-VUSRFXHWSA-N 359.554 4.739 0 1 FJAF Cc1cc(-c2ccc3c(c2)CC[C@H](N[C@H](C)c2ccccc2)C3)cnc1N 206831344 FEQZYBOSWWUNOX-HXOBKFHXSA-N 357.501 4.847 0 1 FJAF Nc1cc(-c2nc(-c3ccc(Oc4ccc(F)cc4)cc3)no2)ccc1O 299861047 HOACTXYZMBEFFZ-UHFFFAOYSA-N 363.348 4.623 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccccc4)c3O)[nH]c2c1 586896989 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CCCc1c(O)ccc2c1O[C@@H](c1ccc3sc(C)nc3c1)CC2=O 587495377 NXGVETGWZZQGGO-GOSISDBHSA-N 353.443 4.969 0 1 FJAF COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587504243 ICSWCUZPBQMTBZ-JLCFBVMHSA-N 368.448 4.926 0 1 FJAF Cc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603203 NRIWOZFGRDBTKY-RWAHWCJQSA-N 360.409 4.835 0 1 FJAF CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)F)c(C)n1 587624560 LTFKNJZYAOACFU-UHFFFAOYSA-N 351.784 4.769 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccccc23)N1 587831042 VMOUWOGRPARKRZ-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF CCCCOc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873990 RIVMCVQTUXPMLO-UHFFFAOYSA-N 352.365 4.662 0 1 FJAF CC[C@]1(c2ccc(C)c(C)c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962772345 VZDVVHCTDYRUAJ-UYAOXDASSA-N 361.407 4.603 0 1 FJAF O=C1Nc2cc(Cl)ccc2[C@@]12ON=C(c1ccccc1)[C@@H]2c1ccccc1 1857756408 WTEDTUPFMNTXFA-UGKGYDQZSA-N 374.827 4.706 0 1 FJAF CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@]12C)OCCO5 2356476787 JVXLQGKEDVFQKL-NALHQMNBSA-N 374.521 4.624 0 1 FJAF CC(C)=CCCC(C)=CCC=C(CC(=O)c1cc(O)ccc1O)C(=O)O 2356805911 AEGNCAKBVAFGLE-UHFFFAOYSA-N 358.434 4.764 0 1 FJAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3ccccc3Cl)nnc1-2 840571 CEMQXLVYSIOKKQ-UHFFFAOYSA-N 367.884 4.696 0 1 FJAF C/C1=C\CC[C@@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 5382309 AVRRAMZPNSQDIW-VSPFYZSGSA-N 358.478 4.627 0 1 FJAF C[C@H](CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1 13475607 LMKGEGFYXCALHV-BSDZUQITSA-N 365.517 4.774 0 1 FJAF CCCCCCOC[C@H](CC[P@](=O)(O)OC)OCCCCCC 13760001 SKYPYPYASBNLQU-KRWDZBQOSA-N 352.452 4.771 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@]2(CC[C@]3(C=COC3)O2)[C@]2(C)CCCC(C)(C)[C@@H]12 14972978 FWXSOZHEZZNUHJ-VOKUFJPZSA-N 362.510 4.622 0 1 FJAF biogenic O=C1NCc2nc(Sc3ccc(F)cc3)ccc2N1c1ccccc1 27311861 XHLPQCFQLKJGGJ-UHFFFAOYSA-N 351.406 4.733 0 1 FJAF CCCCCn1cc(NC(=O)CCc2ccccc2)c(=O)c2ccccc21 28864496 BATNKFYGUCQFMX-UHFFFAOYSA-N 362.473 4.763 0 1 FJAF Cc1ccc(N2C(=O)[C@H](c3ccccc3)C[C@@H](c3ccccc3)C2=O)cc1 73197065 MZAMWDUMGIEZEU-VXKWHMMOSA-N 355.437 4.826 0 1 FJAF C[C@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)c1ccccc1 95571469 QALAFIRMBSIOQU-INIZCTEOSA-N 353.429 4.774 0 1 FJAF CS[C@@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@H]12 195335091 OGPGSYNCKSLJOF-ODVANORSSA-N 368.951 4.949 0 1 FJAF CCc1ccc(-c2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)s1 206876307 DXCXRKDMDUYCFU-UHFFFAOYSA-N 364.445 4.875 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3ccc4c(c3O)CCCC4)nc2c1 586897327 AUJNASJXVNBHGL-UHFFFAOYSA-N 357.251 4.885 0 1 FJAF O=C1O/C(=C\c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586906113 JKLHSMGCUDHJHR-MOSHPQCFSA-N 368.392 4.810 0 1 FJAF COc1cccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc12 587074974 CICBHKQTLXZYEI-UHFFFAOYSA-N 369.808 4.767 0 1 FJAF Cc1cc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c2cc1Br 587112624 PEFOUBWRSSIWAU-UHFFFAOYSA-N 358.161 4.658 0 1 FJAF Cc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1C 587167286 LJDSCSRRKCQVCH-KRWDZBQOSA-N 352.413 4.688 0 1 FJAF Fc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)cc(N2CCCC2)n1 587177418 ILBPAGLISTVFEA-UHFFFAOYSA-N 351.212 4.671 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc3ncccc3c2[nH]1 587236021 VQMGDRZHNLXTMH-GDBMZVCRSA-N 366.465 4.662 0 1 FJAF Cc1c(-c2cc3c4c(cccc4n2)CC3)sc2c1C(=O)N/C(=C\Cl)N2 587359640 IGUBVHFNLIZGML-RIYZIHGNSA-N 367.861 4.563 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(C(F)(F)F)c1O)CC2=O 587462768 SNKGYPWVNRYLCN-INIZCTEOSA-N 366.335 4.776 0 1 FJAF C[C@@]1(CCOCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522171 KHJKZQWVTNFKHM-HSZRJFAPSA-N 350.458 4.896 0 1 FJAF Cc1ccc(F)cc1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587570737 XMXWXZQKVUEMJK-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF NC(=O)c1cc(-c2[nH]c3cc(F)ccc3c2-c2ccc(Cl)cc2)c[nH]1 587634294 XUPXQAZFJUZBHX-UHFFFAOYSA-N 353.784 4.721 0 1 FJAF CC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587730651 JVTHWTOLMCTWTE-BBATYDOGSA-N 366.249 4.915 0 1 FJAF COc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1C 587805573 GJJMJEDGYVAKOK-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@H]23)N1 587825757 FDQZCMPVHSLPNA-VLOOCDBTSA-N 364.302 4.774 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(Br)cc(C)c3[nH]2)c1 587932233 RHYFBYFYOZSZNB-NSHDSACASA-N 359.267 4.989 0 1 FJAF CC/C(=C\c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587968431 SSHYGECXRJUDSL-XDJHFCHBSA-N 361.489 4.654 0 1 FJAF CCCCC(C)(C)[C@H](O)C=C[C@@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O 2356385395 LLVVDFDWPQHXBA-CMKODMSKSA-N 364.526 4.916 0 1 FJAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C(O)C[C@H]1C(C)(C)CCC[C@@]12C 2356433165 YZKVFPBCUJKGKM-FIRPJDEBSA-N 350.499 4.926 0 1 FJAF CC1(C)[C@H]2c3c(O)cc(O)c(C(=O)c4ccccc4)c3O[C@@]3(C)CC[C@@H]1[C@H]23 2356549459 CDDSLAQEAHDJRA-HFZRNFMZSA-N 364.441 4.630 0 1 FJAF COC(=O)[C@H](CCO)CCC1=C(C)[C@H](OC)C[C@H]2C(C)(C)CCC[C@@]12C 2356663134 UXSQCQDABWBTLB-ZBPHCFQXSA-N 366.542 4.506 0 1 FJAF Cc1c(Cl)cccc1C(=O)N[C@H](CCN(C)C)c1ccc(Cl)cc1 13684677 HJQMMBXVBUXCGC-GOSISDBHSA-N 365.304 4.725 0 1 FJAF O=C1C[C@@H](c2ccc(Cl)cc2)Cc2[nH]c3cc(Cl)ccc3c(=O)c21 63539434 MSHWFKSJTARSSX-NSHDSACASA-N 358.224 4.748 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179297 OYNLOQDFDJMADC-MRXNPFEDSA-N 365.525 4.991 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 100773333 MRDOIVGFARRMGI-NCYKPQTJSA-N 359.473 4.779 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169322124 YEULSAXOJYTLCB-RMIWOTPJSA-N 359.554 4.739 0 1 FJAF CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(CNC(C)=O)C[C@@H]21 169333002 WMYPYOZKKKAFCL-RTBURBONSA-N 371.521 4.852 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 586915951 JINABXROCQHELP-WZONZLPQSA-N 356.425 4.933 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2ccnc(Cl)c2[nH]1 586996464 QEXHXGDEIKDHTH-UHFFFAOYSA-N 366.646 4.688 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4ncc(F)cc4[nH]3)cc2)n1 587021451 LOKKYMMZZVYQES-UHFFFAOYSA-N 356.451 4.821 0 1 FJAF Cc1ncsc1CCc1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 587027040 MUSOWIXGTWWONQ-UHFFFAOYSA-N 361.776 4.665 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@@H]([C@H]1CCOC1)CC3 587208951 HHQXAIGZUCVQPW-GJZGRUSLSA-N 355.437 4.588 0 1 FJAF Cc1ccc(NC2(c3nc4cc5c(cc4[nH]3)NC(=O)CC5)CCCC2)cc1 587237239 NQZJJAXPNKYNNS-UHFFFAOYSA-N 360.461 4.637 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(CCCCF)c1F)O2 587383539 SQCBNTCNQSQXNG-NRFANRHFSA-N 359.416 4.889 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O 587446075 STCBQBHLSWMUOA-CYFREDJKSA-N 356.421 4.610 0 1 FJAF Cc1nccn1-c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511577 HYMUCADZZGZLPK-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF CCOC(=O)c1c(-c2ccc(F)c(Cl)c2)[nH]c2c(C(=O)O)cccc12 587638418 XYHJNUWZLCXBAX-UHFFFAOYSA-N 361.756 4.502 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccncc3c2)N1 587778237 LUVQSDMIOKLDLD-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CCOc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801106 IPIDUPAGLOKYSG-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOC2CCCC2)N1 587812881 SHENOAJYBFRHRR-IAQYHMDHSA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3c2CCC3)N1 587815802 QHXUFCZJEWQGGM-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF CSC(C)(C)C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587840105 JMCUEXRWDRXQHB-MGPLVRAMSA-N 360.336 4.869 0 1 FJAF CCn1c(CCC(=O)Nc2cccc3ccccc23)nnc1CCC(C)C 653740476 SFLSFBBZAKRQJA-UHFFFAOYSA-N 364.493 4.611 0 1 FJAF COc1ccc2c(c1)[C@](CCCCCCC(=O)O)(C1CC1)N(C(C)C)CC2 962091169 NCPXCCAUEVXWCW-QHCPKHFHSA-N 373.537 4.992 0 1 FJAF Cc1cccc(C)c1CC[C@@]1(C2CC2)NC[C@H]2CC(=O)N(C)c3cccc1c32 963033015 WFSOHNGMVKUJPK-CJAUYULYSA-N 374.528 4.595 0 1 FJAF O=c1oc2ccccc2c(Cl)c1[C@@H]1c2c(F)cccc2C[C@H]2CCCN12 963093490 BTXGYYMBKRPBJB-XCLFUZPHSA-N 369.823 4.695 0 1 FJAF CCCC[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@H](O)CC(=O)O 2356509229 IKTPWVGSUROYSG-CTAFRAEOSA-N 356.547 4.932 0 1 FJAF Cc1cccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1C 4724934 YTMFUJMILRNSCU-FEQANGJYSA-N 373.452 4.797 0 1 FJAF COc1c(C(=O)O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 13588889 OCZPDPRRYHMYGX-UHFFFAOYSA-N 350.201 4.703 0 1 FJAF CC[C@@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36479021 AOYFAIZUGKHXQU-QGZVFWFLSA-N 352.331 4.889 0 1 FJAF CC[C@@H](C)Cn1c(C2CC2)nc2c(NCCc3ccc(F)cc3)ncnc21 82187625 FZZHKUDHKPGMHF-CQSZACIVSA-N 367.472 4.544 0 1 FJAF O=C1c2cc(O)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21 103273344 QAAFFJKJGBESQJ-UHFFFAOYSA-N 353.324 4.537 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)C2=C(O)CCCC2=N1 103521186 BEBCQDXJGZJFNJ-HXUWFJFHSA-N 351.446 4.981 0 1 FJAF CCOC(=O)c1c(CSc2c(C)cccc2C)n(C)c2ccc(O)cc12 169345877 XKIHGMIHMQVFNY-UHFFFAOYSA-N 369.486 4.970 0 1 FJAF COC(=O)/C=C(/C)CC[C@@H]1[C@H](C(=O)OC)CC[C@@H]2C(C)(C)CCC[C@@]12C 238753279 WDMMGTWRGDEGNH-RCUBGLFVSA-N 364.526 4.918 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4c(Cl)cnc(Cl)c4[nH]3)cc2[nH]1 587120891 YZFCZVLBFUVHCQ-UHFFFAOYSA-N 372.137 4.827 0 1 FJAF Fc1cc(Br)ccc1-c1nc2cc(Cl)nc(Cl)c2[nH]1 587143021 SFXOIPKTGWAFDK-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]1c1ccccc1F 587155206 INEHNXIKXDAGQJ-GAJHUEQPSA-N 373.431 4.623 0 1 FJAF CCOC(=O)[C@H]1C[C@H](c2ccccc2)Cc2c1nc1cccc3c1c2CC3 587213020 XAKPHMDCEMSGBE-XLIONFOSSA-N 357.453 4.710 0 1 FJAF Cc1c(C)c2ccc(OCc3cc4c5c(cccc5n3)CC4)c(C)c2oc1=O 587215320 FQRQHIRMQFTZBO-UHFFFAOYSA-N 371.436 4.944 0 1 FJAF Cc1c(F)ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c12 587218704 KQJIQHDGCKXQFU-HXUWFJFHSA-N 359.404 4.530 0 1 FJAF COc1cccc(-c2cc([C@H](C)n3cncn3)nc3c2oc2ccccc23)c1 587363419 MXJMCJGQOMSPCZ-AWEZNQCLSA-N 370.412 4.857 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)cc1O)[C@@H](C2)C3=O 587453733 ZTLCSKIDQROAGD-MBSDFSHPSA-N 358.393 4.557 0 1 FJAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cc1OC 587483573 RDMYGUVVGPAZBQ-FQEVSTJZSA-N 370.445 4.849 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(F)c1F 587557645 OFDQUZBKSZOQAN-OXJNMPFZSA-N 372.298 4.512 0 1 FJAF CC1(C)CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1 587604243 VLKOAIGUTRRUNN-FIKMYACPSA-N 352.430 4.939 0 1 FJAF C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587613491 PCVLBQIKWKKKBL-VQIMIIECSA-N 372.829 4.984 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cnccc3c2)N1 587777952 KCEUTOQRYQXCCA-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cc1O 587785454 ADEFIMNOSCWCKF-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF COc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587808449 QEJIYXGOWPONTC-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF CC1=COc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587844641 XTINRGVSHXXADL-BLVKFPJESA-N 374.253 4.662 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C)CC[C@]12NCCc1cc(-c3ccccc3)ccc12 962665040 LFIZBIDGTRZTML-OUPRXKBMSA-N 363.501 4.694 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(NC(=O)CC)cc1 963235395 WCUQBLIQRWHHLJ-SBUREZEXSA-N 350.506 4.955 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1cccc(OCCN(C)C)c1 963240669 LAJPFFSQVXVKKN-DVECYGJZSA-N 366.549 4.547 0 1 FJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(C)c(Cl)c3)C2)cc1 1772643630 OSTAGYOHNBNSMY-YWZLYKJASA-N 372.896 4.503 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cccnc1 1857640681 HMDPWEPMYLOZBE-ZLFVCLNVSA-N 365.517 4.658 0 1 FJAF COc1cc(-c2cccc(-c3cn(C)c4ccccc34)n2)cc(OC)c1OC 2382249078 MOSSOGFSAZYLDC-UHFFFAOYSA-N 374.440 4.933 0 1 FJAF Oc1ccccc1-c1nc2ncccn2c1Nc1cccc(C(F)(F)F)c1 4904070 SGAWAGHTDYAOGJ-UHFFFAOYSA-N 370.334 4.864 0 1 FJAF CCc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2c1[C@H](OC)NC(C)=N2 28467983 DUTFJDZCRJUDOU-HNNXBMFYSA-N 373.671 4.693 0 1 FJAF COc1ccc2nc(NCCCCNCc3ccsc3)cc(C)c2c1 28950847 UBLPMASNMRLCGE-UHFFFAOYSA-N 355.507 4.595 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 29127748 JLDPRWUTMGAVLL-AZGAKELHSA-N 372.556 4.860 0 1 FJAF Cc1ccc(C(=O)Nc2nc3ccccc3c3cn(-c4ccccc4)nc23)o1 40392168 GJTDNSBMXJSRCK-UHFFFAOYSA-N 368.396 4.727 0 1 FJAF Cc1cccc(C)c1-c1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 43118645 ZDABWPALDQUMFM-UHFFFAOYSA-N 363.486 4.953 0 1 FJAF O=C(NCCOCc1cccc(Cl)c1)c1c(Cl)cccc1Cl 49803930 XFWJZSADKLWWHR-UHFFFAOYSA-N 358.652 4.593 0 1 FJAF O=C(CCCCN1CCCCC1)Nc1cc(-c2ccc(Cl)cc2)no1 84740165 UUULARAVAROYPO-UHFFFAOYSA-N 361.873 4.590 0 1 FJAF CCCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 102116007 NNUXVQJBURIDOK-UHFFFAOYSA-N 359.517 4.556 0 1 FJAF Clc1ccc([C@H](COCc2ccccc2)Cn2cncn2)c(Cl)c1 103288434 DCOOUSWVFMERRI-HNNXBMFYSA-N 362.260 4.586 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)/C1=C(\O)OC(C)C 104086955 FITXPJYVDPNXSB-ASBZNUFUSA-N 371.477 4.973 0 1 FJAF CCOCCCC[C@@H]1[C@H]2CCCN3CCC[C@H](CN1Cc1ccccc1)[C@@H]23 169333644 DCPVGLPMEJDCGN-YCAMKHIRSA-N 370.581 4.568 0 1 FJAF NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc2ccccc12 198137628 OFIONYWWEGLEBS-UHFFFAOYSA-N 372.449 4.920 0 1 FJAF Fc1cc(Br)c2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc2c1 586890483 QCDAIDNNRXPAGV-ACJLOTCBSA-N 357.226 4.836 0 1 FJAF Fc1c(F)c(F)c2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1F 587080767 PLGMEOXZGRUEFG-UHFFFAOYSA-N 353.706 4.776 0 1 FJAF Cc1ccnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587149534 HXYMBJDZYORWFF-SFHVURJKSA-N 351.356 4.713 0 1 FJAF COc1cc2c3c(c1)OC1(CCC(c4ccc(F)cc4)CC1)[C@@H](C2)C3=O 587429930 XTEMJOVWUMLKSY-PYGWLIJMSA-N 352.405 4.678 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCC(C(F)F)CC2 587552984 CTKJVAUADKKUKV-WCKOCXJASA-N 360.356 4.548 0 1 FJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc(F)c1F 587557049 LHOIKRVQVHTHFB-DYESRHJHSA-N 368.335 4.682 0 1 FJAF C[C@]1(c2c(F)cccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557921 PUSXJUWISFIMKQ-GHTZIAJQSA-N 368.335 4.547 0 1 FJAF Cc1cccc(C)c1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603453 OSMUAZXGCLNWQS-NFBKMPQASA-N 360.409 4.886 0 1 FJAF CC1(C)[C@H]2CC[C@](C)(C2)[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604018 QOBOPKIQJOSIHE-DENKBBGASA-N 364.441 4.939 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(F)cc2F)N1 587719592 LJKVINMBUWIVIL-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF CC(=O)c1ccc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2c1 587781739 CFPCKTFVAAYRPT-UHFFFAOYSA-N 358.397 4.717 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCC[C@H](C3CC3)C2)N1 587817335 KGQUADZXHQWLDA-CDNVCLAFSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@@H](C3CC3)C2)N1 587817621 MRIBNJDAWOGAPD-BVRBVLIYSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818566 IQZXMVJVJGDUDH-CEMCJKAASA-N 360.270 4.967 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)cc1O 587819813 BNLCRWYWBPPHEC-VOJFVSQTSA-N 364.258 4.534 0 1 FJAF O=C(O)c1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1F 587951159 WZXMFBLWDUEDJA-UHFFFAOYSA-N 362.360 4.783 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587958647 DMAZSWZMZONPPI-UHFFFAOYSA-N 360.388 4.966 0 1 FJAF Cc1nc2ccccc2n1Cc1nnc(Nc2ccccc2Cl)s1 653834575 XWVCWBQHBPAUKD-UHFFFAOYSA-N 355.854 4.642 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(=O)OCC)c1cc(C)cc(F)c1 963227389 JFASNINSCIUYNX-GAJHUEQPSA-N 369.480 4.597 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)CCc1ccc(O)c(OC)c1 963237643 YPQRGRJWFARCPN-SBUREZEXSA-N 353.506 4.905 0 1 FJAF COc1cc(Br)cc2[nH]cc(-c3cnc(-c4ccc[nH]4)o3)c12 1857547570 HCBIATVCCJRSKR-UHFFFAOYSA-N 358.195 4.589 0 1 FJAF COc1ccc(NC(=O)c2nc3cc(C(F)(F)F)ccc3s2)cc1 1857630593 QVSVUXRYSNVZMD-UHFFFAOYSA-N 352.337 4.576 0 1 FJAF COCCn1cc(-c2csc(-c3c[nH]c4ccccc34)n2)c2cccnc21 1857644686 FJYKJKHXXREEMQ-UHFFFAOYSA-N 374.469 4.955 0 1 FJAF CCCN1CC(=O)Nc2ccc(Br)cc2[C@H]1c1ccc(C)cc1 1911586393 IPRWDYPIPQZLRH-LJQANCHMSA-N 373.294 4.511 0 1 FJAF Cc1nc2ccc(NC(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)cc2nc1C 1096433 FFWJEVKOXXFKMM-IIBYNOLFSA-N 352.482 4.679 0 1 FJAF CN(C)Cc1ccccc1-c1ccc2ncnc(NCc3ccccc3)c2c1 4268281 TXXJGAWMXLGJRQ-UHFFFAOYSA-N 368.484 4.971 0 1 FJAF Clc1ccc([C@H](CCNCCCCc2c[nH]cn2)c2ccccn2)cc1 13490237 YZQOOIBEGBPDFU-FQEVSTJZSA-N 368.912 4.593 0 1 FJAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2c3ccc3ccccc32)cc1OC 26668793 BNAGTTVFXKJRPK-FQEVSTJZSA-N 372.468 4.768 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1ccccc1Cn1cnc2ccccc21 28571791 QLVAQNDWGRZNQS-UHFFFAOYSA-N 361.832 4.990 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)OC(C)(C)C=C4)OC(C)(C)CC3=O 29133863 GQSAYWVBBFUCTG-UHFFFAOYSA-N 368.429 4.674 0 1 FJAF COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@H]2CC[C@@H]1C2 29568416 CCQPFCCZWSBRTL-GGWBURCISA-N 361.441 4.755 0 1 FJAF O=C1NC[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2nc[nH]c2c1 96168037 QYCCTMGDALJSAQ-OAQYLSRUSA-N 354.413 4.501 0 1 FJAF Fc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 139332858 AKXGDFXIXFLHPW-UHFFFAOYSA-N 374.394 4.574 0 1 FJAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2cc(C)on2)c1 218300095 CVJBNMGKOIKUKR-HXUWFJFHSA-N 361.401 4.509 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc(OC)cc(OC)c4[nH]3)cs2)cc1 587016190 RKVSFWONSZZIOO-UHFFFAOYSA-N 365.458 4.933 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(Br)cc(F)cc3[nH]2)n1 587079291 IHWUYLKRHLSKGQ-SSDOTTSWSA-N 371.641 4.952 0 1 FJAF Cc1cc(Br)c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1F 587137707 HIUVOPCUGGKNIX-UHFFFAOYSA-N 359.120 4.857 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587151602 SWNQCFKKOLSSEY-MRVPVSSYSA-N 358.266 4.880 0 1 FJAF Cc1c(Br)ccc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c12 587197484 PPODZRZAGYMOIX-NSHDSACASA-N 358.283 4.852 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3ccc(C(C)C)cc31)O2 587414987 XCEJOOINYMVRQO-QFIPXVFZSA-N 351.446 4.734 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](n3nc(C)cc3C)C1)CC2=O 587476146 PPFWMULTOUBRIP-AOMKIAJQSA-N 368.477 4.677 0 1 FJAF COc1cc2c(cc1F)[C@]1(CC2)CC(=O)c2ccc3c(c2O1)CCCC3 587505612 JELKUEFOTIBDFY-QFIPXVFZSA-N 352.405 4.520 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccncc23)N1 587779070 PYNKAKIIOCITMC-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)c1 587780412 ABUYHFZKDZRKGA-UHFFFAOYSA-N 374.396 4.516 0 1 FJAF COc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1C 587808446 QEJIYXGOWPONTC-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@@H]2c2ccccc2)N1 587818434 DEMWOCPWGXOQTI-KPAZRMRSSA-N 360.270 4.895 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]3CC[C@@H]2C3)N1 587819144 LJLAMZPFVKMURF-MNXLVCHVSA-N 352.291 4.774 0 1 FJAF CCC[C@@]1(CCCCC(=O)OCC)c2ccc(F)cc2C[C@@H]2CCCN21 963095822 DRIPYILQTZGLSJ-SIKLNZKXSA-N 361.501 4.965 0 1 FJAF CCCN1[C@H](c2ncc(Br)cc2F)c2ccccc2C[C@H]1C 963231292 QHCIBQWEJJLZIE-XIKOKIGWSA-N 363.274 4.729 0 1 FJAF O=C(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)C1CCCCC1 1857546714 NJKDLKBVGYPHLW-UHFFFAOYSA-N 352.453 4.907 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@@H](c1cc(OC)c(OC)c(OC)c1)O2 2356534647 GPTWTKZDAAYJRN-XCLFUZPHSA-N 370.445 4.991 0 1 FJAF COc1ccc(CNc2ncnc3ccc(-c4ccoc4)cc23)c(OC)c1 4265096 SAYDWYDBMRKGEW-UHFFFAOYSA-N 361.401 4.519 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O[C@@H]5CCCCO5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 4900441 BOLMNLJKDBCJIB-AZZQQCEESA-N 356.506 4.809 0 1 FJAF CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2C)n(CC)c1=O 13536161 NPPGFTISVXDAHZ-UHFFFAOYSA-N 355.526 4.790 0 1 FJAF COc1ccc([C@@H]2[C@@H](CCc3ccccc3)NC(=O)N2c2ccccc2)cc1 26742864 CWCMQMFRBIVVDN-DHIUTWEWSA-N 372.468 4.968 0 1 FJAF Cc1oc2c3c(ccc2c(=O)c1C)OC[C@H]1[C@@H]3Nc2ccccc2C1(C)C 49047209 HLUAQNTUWHFWRF-JXFKEZNVSA-N 361.441 4.863 0 1 FJAF CN(C)CC[C@@]1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1 53244188 PPNRLPHHDUNWIB-VWLOTQADSA-N 371.480 4.914 0 1 FJAF O[C@@H](CSc1ccccc1F)Cn1c2c(c3ccccc31)CCCC2 84690119 BQXTVXKBKBWXGX-OAHLLOKOSA-N 355.478 4.812 0 1 FJAF C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 95571748 OLNOLIZABHZSEW-INIZCTEOSA-N 370.460 4.524 0 1 FJAF in-vitro O=C(O)c1cc(-c2ccc(OC(F)(F)F)cc2)nc2ccc(F)cc12 96927268 FAULTZDJLPRISO-UHFFFAOYSA-N 351.255 4.638 0 1 FJAF CC1(C)[C@@H]2CC=C(CN3CCCN(CC4=CC[C@@H]5C[C@@H]4C5(C)C)CC3)[C@@H]1C2 101044570 BBGHXYBFTRQTBB-LUKWVAJMSA-N 368.609 4.979 0 1 FJAF CC[C@@H]1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 169341851 DXLZFZXCXBEHHP-NRFANRHFSA-N 362.517 4.624 0 1 FJAF Oc1cc(SCc2nc3ccccc3[nH]2)c(O)n1-c1cccc(Cl)c1 169693908 VRAUPFQIYYZBDK-UHFFFAOYSA-N 371.849 4.711 0 1 FJAF CCc1ccccc1-n1nc(-c2cccc3ccccc23)c2c(N)ncnc21 169702795 BGYSWVSWYVKGNS-UHFFFAOYSA-N 365.440 4.780 0 1 FJAF COC(=O)c1c(/C=C/c2ccccc2)cc(OC)c(CC=C(C)C)c1O 200991502 JEHBAMMWLMHPDA-VAWYXSNFSA-N 352.430 4.867 0 1 FJAF Cc1nn2c(-c3nc4ccccc4[nH]3)c(-c3ccc(Cl)cc3)nc2s1 299867138 XJSQJPAVTRWUOG-UHFFFAOYSA-N 365.849 4.963 0 1 FJAF CC(C)Oc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1Br 586917839 WENLDLZFEUFQHD-BONVTDFDSA-N 353.260 4.600 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cccc(F)c3[nH]2)c(C)c1 586967228 ZYRCBCMOXKPTBN-UHFFFAOYSA-N 352.438 4.797 0 1 FJAF COc1cc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2cn1 587040369 JURXCYNTSWVOIS-UHFFFAOYSA-N 374.469 4.812 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(N)cc1F 587135781 DPPFQBOANSYIQC-UHFFFAOYSA-N 369.227 4.830 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(OC)ccc3n1C)CC2=O 587475720 OGAIJWNZJXNOHH-NRFANRHFSA-N 365.429 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)s1)CC2=O 587495800 UIMCPXQQCWEVCM-QGZVFWFLSA-N 357.475 4.713 0 1 FJAF C[C@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587557391 NEHCAZIGQSFBMW-WIYYLYMNSA-N 368.335 4.547 0 1 FJAF CC(C)CSC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615352 XGFPTQVPKJWDSI-XLIONFOSSA-N 358.459 4.502 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(F)c(F)c(F)c2)N1 587720961 UPAMGDUYPHDAQL-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2F)N1 587727723 PFVATMBTOFGJHF-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF CCOc1ccccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587801136 IWIMABGRKLFPSL-BBATYDOGSA-N 364.258 4.611 0 1 FJAF Cc1c(F)ccc2c1[C@@](c1ccc(F)cc1)(c1cccc(F)c1)NCC2 962093795 RGHFKJMVKVTMRL-JOCHJYFZSA-N 353.387 4.850 0 1 FJAF Cc1csc([C@H]2c3ccccc3C[C@H]3CN(c4ccccc4)CCN32)c1 962645161 SDPABCCQDXOGGX-NZQKXSOJSA-N 360.526 4.893 0 1 FJAF COc1ccc2c(c1)CC[C@@]1(CCCCN1C[C@@H](C)c1ccccc1)C2=O 1772572117 MLKPPNBOPFCBLM-KOSHJBKYSA-N 363.501 4.853 0 1 FJAF Cc1c(-c2ccc(N3CCC[C@H](F)C3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772634666 PUGDKAKWFMEYTM-AWEZNQCLSA-N 372.390 4.720 0 1 FJAF CO[C@@H](c1nc(SC2CCCC2)nc(O)c1C)c1c(F)cccc1F 1857570839 VCFFBUKIYAGPRV-MRXNPFEDSA-N 366.433 4.539 0 1 FJAF Cc1cccc(CN(C[C@H](O)COc2cccc3[nH]ccc23)C(C)(C)C)c1 2382225593 GFSQNJBCJKRADW-IBGZPJMESA-N 366.505 4.517 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@H]1C[C@H]2CC[C@@H]1C2 3812406 CCQPFCCZWSBRTL-DQCGZECRSA-N 361.441 4.755 0 1 FJAF CCCCCCC1=NO[C@@H](c2cccc3ccccc23)[C@@H]1C(=O)N(C)C 4295583 PQXKPWPKHQGQIL-RTWAWAEBSA-N 352.478 4.942 0 1 FJAF Cc1ccc(NC(=O)Cc2ccc(-n3c(C)nc4cccnc43)cc2)cc1C 6900810 KZZNFWWEZLOVJL-UHFFFAOYSA-N 370.456 4.527 0 1 FJAF CN(C)[C@@H]1CCC[C@H]1N(C(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28238196 IENHEXFICZMHDO-IAGOWNOFSA-N 355.309 4.609 0 1 FJAF OC1(c2ccccc2)CCN([C@@H](Cc2ccccc2)c2ccccc2)CC1 28708114 FEOIETAFCTYQIE-DEOSSOPVSA-N 357.497 4.954 0 1 FJAF in-vivo Cc1c(C2CC2)nc2ccc(NC(=O)c3ccc(-c4ccccn4)cc3)cn12 34409867 XOXAHSCHXCKXER-UHFFFAOYSA-N 368.440 4.834 0 1 FJAF COc1ccc(-c2ccccc2C(=O)NCCc2c[nH]c3ccccc23)cc1 40860655 IIYPXRKYLVCZSU-UHFFFAOYSA-N 370.452 4.816 0 1 FJAF c1ccc(-c2[nH]c3ccccc3c2CN2CCC(N3CCCCC3)CC2)nc1 45324424 JLDIMTQSLQTGJD-UHFFFAOYSA-N 374.532 4.680 0 1 FJAF CC[C@H](C)Sc1nc([C@@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 72114343 VTQLDBHBQZPZNO-JQWIXIFHSA-N 352.450 4.789 0 1 FJAF Fc1ccc(N(CCNCCc2ccccc2)c2ccc(F)cc2)cc1 84669194 BBYDRFMSSSQLBT-UHFFFAOYSA-N 352.428 4.935 0 1 FJAF COC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1cccc(C(F)(F)F)c1 95584737 WMQBONLRAUJCIX-SFHVURJKSA-N 373.374 4.875 0 1 FJAF Nc1c(O)nc2cccc(C(F)(F)F)c2c1-c1cc(Cl)ccc1O 101231568 NGKYBCPJCROCMD-UHFFFAOYSA-N 354.715 4.567 0 1 FJAF Cc1nc(N[C@@H](C)c2cccc(O)c2)cc(-c2ccc3ccn(C)c3c2)n1 142462951 LMIDFWOVXKGRHU-AWEZNQCLSA-N 358.445 4.822 0 1 FJAF CC(=O)OC/C(=C\CC/C(C)=C/CC/C(C)=C/CO)CC/C=C(/C)CO 238781031 BCWFTTZMHWZMCJ-KDERSDESSA-N 364.526 4.640 0 1 FJAF CCN(CC)C[C@@H]1C[C@H]2CC[C@H]1N(c1ccnc3cc(Cl)ccc13)C2 253678314 TXNFYPIAXHMYBE-GQIGUUNPSA-N 357.929 4.835 0 1 FJAF O=C1CCC=CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)N1 254121035 XDZQOHWIPBUZJT-UHFFFAOYSA-N 372.428 4.555 0 1 FJAF Cc1cc(O)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991239 LPSQTLNJNXJFBH-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1cc(C)c2[nH]c(Cc3csc(NC(=O)OC(C)(C)C)n3)nc2c1 587020380 QIWDNGOJBBQYGQ-UHFFFAOYSA-N 358.467 4.574 0 1 FJAF FC(F)(F)c1ccc2ncc(-c3nc4cc5c(cc4[nH]3)OCCO5)cc2c1 587111951 IVWZBUFVUPPARP-UHFFFAOYSA-N 371.318 4.568 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cc[nH]c(=N)c4[nH]3)c(Cl)c2)cc1F 587147535 SCNTURFWXRYRQU-UHFFFAOYSA-N 352.800 4.805 0 1 FJAF Fc1cc(Cl)cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587232372 RSRVIWRDVDFXHQ-UHFFFAOYSA-N 355.800 4.905 0 1 FJAF CC(C)CSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587530684 DIMUWAYDZUYZCU-IBGZPJMESA-N 368.502 4.810 0 1 FJAF CC(=O)CCCCCCCCCCCCc1ccc2c(O)nc(O)nc2n1 587561094 LGMXPENPMHCNJY-UHFFFAOYSA-N 373.497 4.859 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@@H]1c1ccccc1 587872370 WOFLWYMRPJLLIQ-MSOLQXFVSA-N 350.393 4.532 0 1 FJAF Fc1cccc2c1NCC[C@@]21c2ccsc2CCN1Cc1ccco1 962714090 YHGMUIXCODTRKM-HXUWFJFHSA-N 354.450 4.598 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@@H](c2ccc(Cl)cc2Cl)N1)C(F)(F)F 962729087 GPNJVXYUHQOJPY-CABCVRRESA-N 374.189 4.729 0 1 FJAF c1ccc(Oc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1 1772586320 QWLUNFMVKJXLSU-UHFFFAOYSA-N 370.456 4.815 0 1 FJAF CC(C)(Cc1nc(-c2cccc(F)c2)cs1)NC(=O)c1ccccc1 1857743695 JFGXNPKXIFSQGW-UHFFFAOYSA-N 354.450 4.700 0 1 FJAF c1ccc(Nc2ncc3c(n2)CCc2cnc(Nc4ccccc4)nc2-3)cc1 1857771580 IOVNIFUOOFUPNP-UHFFFAOYSA-N 366.428 4.519 0 1 FJAF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@H]1Cc2ccccc2O[C@H]1O 2356307269 QSMNOZMIWMHZFD-KPDCDPCYSA-N 371.521 4.534 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC[C@H](C)[C@H](O)CC=C(C)C 2356433459 JZVYLXIIJTXKCL-SIKLNZKXSA-N 366.542 4.718 0 1 FJAF CC=Cc1ccc(O[C@H](C)[C@@H](OC)c2ccc(O)c(OC)c2)c(OC)c1 2356451976 YRLPIFOGCBUSPJ-SPLOXXLWSA-N 358.434 4.598 0 1 FJAF CCC[C@H]1[C@@H](NCc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713778 ZVMYPQPENPTUFM-BESBDSHLSA-N 354.538 4.516 0 3 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@@H]3CC[C@@](O)(C(F)(F)F)[C@@]3(C)CC[C@H]12 263591561 YRKBBIVQXKLUDP-JPDDNCELSA-N 360.460 4.683 0 3 FJAF c1ccc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 4265356 SXWJWMGODFUYOM-UHFFFAOYSA-N 355.397 4.638 0 1 FJAF O=C(Nc1ccc(Cc2c[nH]cn2)cc1)Nc1cc(Cl)cc(Cl)c1 28019522 KRYSDMLPQFBRRU-UHFFFAOYSA-N 361.232 4.951 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(CC)CC 28237180 PRAPITNKKQIFOR-SJORKVTESA-N 357.325 4.999 0 1 FJAF O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1 28572127 RMQLRJIXYUSAHW-UHFFFAOYSA-N 356.385 4.733 0 1 FJAF Cc1cc(Oc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)ccc1F 34030622 ATNFQDVRYGTUEK-UHFFFAOYSA-N 361.376 4.569 0 1 FJAF COc1cccc(-c2nc(CNCc3ccc(C(C)(C)C)cc3)co2)c1 72101313 DGYNTEPMIWZHKL-UHFFFAOYSA-N 350.462 4.938 0 1 FJAF COc1ccc(-c2nc(CNCc3ccc(C(C)(C)C)cc3)co2)cc1 72180081 PRNYVIUMUSMKQJ-UHFFFAOYSA-N 350.462 4.938 0 1 FJAF CC[C@@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC(C)C)ncnc21 82177798 AGXUCUCFMKKRHT-OAHLLOKOSA-N 367.497 4.616 0 1 FJAF CCc1cccc(NC(=O)Nc2ccc(-c3coc4ncnc(N)c34)cc2)c1 103257506 WENIFNSHNVTKCT-UHFFFAOYSA-N 373.416 4.678 0 1 FJAF Cc1cc(Oc2nccc(C)c2Cl)ccc1-c1c(C)n[nH]c(=O)c1C 220976529 FXRLAKJQBKPNBZ-UHFFFAOYSA-N 355.825 4.511 0 1 FJAF COc1ccc(Oc2cc(=O)c3cc(O)c(CC=C(C)C)c(O)c3o2)cc1 299833182 KOKIVZSWNDCWDJ-UHFFFAOYSA-N 368.385 4.514 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1ccccn1)CC3 586987764 FMTQBJCTCQJXTB-OAHLLOKOSA-N 364.404 4.625 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587027155 PWMCKZHBPZYVBX-UHFFFAOYSA-N 364.352 4.592 0 1 FJAF Cc1cc(Br)c2nc(-c3ccc(OC(F)F)cc3)[nH]c2c1 587130413 JRPHIOLKAYMZBI-UHFFFAOYSA-N 353.166 4.902 0 1 FJAF CCn1c2c(c3cc(C(=O)O)ccc31)CCc1c-2nc2cccc3c2c1CC3 587211482 RKYJQROSSMECAD-UHFFFAOYSA-N 368.436 4.772 0 1 FJAF COc1c(Cl)cc(Cl)cc1[C@]1(C)CC(=O)c2cc(C)cc(N)c2O1 587377755 YJAJBRIGNWHGPR-SFHVURJKSA-N 366.244 4.773 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(COc1c(C)cccc1C)CC2=O 587484590 SOLIPDFKBQOXOQ-JOCHJYFZSA-N 354.446 4.764 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2N=O 587505410 MALGNQQUAFEIHQ-PWZKMPOXSA-N 353.462 4.861 0 1 FJAF Cc1cccc(-n2cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587516875 FURUDNVYAMOGOA-XMMPIXPASA-N 372.468 4.940 0 1 FJAF CCn1ncc([C@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587517513 OURKFRNTBFJNPN-JOCHJYFZSA-N 352.478 4.607 0 1 FJAF C[C@@H]1CC(C)(C)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603327 MCVVNESTDHPZFC-JPEVHGAISA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2F)N1 587717470 LAHQFKODQZUXHU-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF Cc1ccc(F)cc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587730817 YIJOVKXFZGWRAJ-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc3ccccc23)N1 587777147 FNAXFQADWFNMNO-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3cnccc3c2)N1 587777949 KCEUTOQRYQXCCA-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CC(C)OC1CCC2(CC1)N[C@@H](C)Cc1cc(Br)c(F)cc12 587810302 KKOKXJPHQBYXJF-DTVQEZCTSA-N 370.306 4.685 0 1 FJAF C/C(=C/c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1CCCCC1 587968586 SFQGOFSSRBENOX-LUAWRHEFSA-N 372.412 4.840 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(N2Cc3cccc(Cl)c3C2=O)cc1 653747443 VAMYHVAMPMQJMD-UHFFFAOYSA-N 366.804 4.654 0 1 FJAF O=C(c1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1)C(F)(F)F 963117731 XPWJJLHKZGZTDI-YJBOKZPZSA-N 363.354 4.681 0 1 FJAF O=C1N[C@@H]2SC(Cl)=C[C@H]2C(O)=C1c1cccc(Oc2ccccc2)c1 1857649932 KTLCGSSBJQEBJF-IFXJQAMLSA-N 371.845 4.647 0 1 FJAF CC1=C[C@H](CNC(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 2356300225 CABBCXQNNORPAF-ZCNNSNEGSA-N 368.525 4.527 0 1 FJAF C[C@@H](O)C=CCC=CC[C@H](O)C=CC=CCC=CCCCCCC(=O)O 2356340148 INESDRVMAJDUCT-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF C[C@H](C(=O)Nc1ccc(Cl)cc1)N1CCC2(CCc3ccccc32)CC1 2382244489 DWFVJURPSPRRPG-MRXNPFEDSA-N 368.908 4.647 0 1 FJAF Cc1ccc(C2=NN=C3C(c4ccccc4)=Nc4ccccc4N3C2)cc1 5596429 XDONRLKNFFUDST-UHFFFAOYSA-N 350.425 4.752 0 1 FJAF c1ccc(N2CCN(CCCCc3cc(-c4cccs4)no3)CC2)cc1 13441285 RJETZHUBOZSCPH-UHFFFAOYSA-N 367.518 4.548 0 1 FJAF Cc1cc(C)cc(NC(=O)c2cc3cc(Cl)cc(Cl)c3oc2=O)c1 26843164 OGDFRBNWXDWIQT-UHFFFAOYSA-N 362.212 4.969 0 1 FJAF O=C1CC(F)(F)c2nn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)cc21 28572532 KTXIXBQDXZGZKK-UHFFFAOYSA-N 371.092 4.876 0 1 FJAF Cc1c(SCc2ccc(COCCF)cc2)oc2ccccc2c1=O 28710968 VINKJWQEQRRZCS-UHFFFAOYSA-N 358.434 4.880 0 1 FJAF CC(=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 40712661 SUEPTDAMYWMEOU-KVLFQYKSSA-N 356.506 4.801 0 1 FJAF Clc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12 66079408 FPSVVKGOIPACJI-UHFFFAOYSA-N 362.780 4.558 0 1 FJAF Cc1nc(-c2cccnc2)sc1C1=NN[C@@H](c2ccc(Cl)cc2)C1 95589867 SQCYNSYVIKWNGE-OAHLLOKOSA-N 354.866 4.606 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccccc3F)cc2)cc1 100107582 QATAVEDWFPLSDE-LNWKWYTESA-N 372.487 4.741 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1ccccc1 100638154 IZKCKIYKSIIUFD-CQSZACIVSA-N 367.474 4.754 0 1 FJAF Cc1ccc([C@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 100728106 ZVYVEQWQWNSQIJ-FYZZASKESA-N 369.892 4.820 0 1 FJAF c1ccc(CC2=Nc3ccccc3N3CC(c4ccccc4)=NN=C23)cc1 473115027 QQBKVVXDHZLJTR-UHFFFAOYSA-N 350.425 4.638 0 1 FJAF N[C@@H](Cc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccccc1Cl 587058668 YMNFRMZBRIPUKP-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF CN(C)CCOc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073677 JKJKINKCINZOHX-UHFFFAOYSA-N 369.896 4.627 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc(C)c2[nH]1 587132635 GNLZBCXCIKIFOL-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF Cc1cnc2nc(-c3ccc(-c4ccc(C(=O)O)c(F)c4)c(C)c3)[nH]c2c1 587144063 FVAVSOIXYWSTDT-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF Fc1ccc(OCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)cc1 587167982 BWTHBVAFVNASLL-UHFFFAOYSA-N 360.694 4.833 0 1 FJAF COc1cccc(-c2cc([C@H]3CCCNC3=O)nc3c2oc2ccccc23)c1 587362821 LCFULYLHXOVGPV-MRXNPFEDSA-N 372.424 4.650 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCc1cccc(C(C)=O)c1F)CC2=O 587466685 NMSURUUQLATILP-HNNXBMFYSA-N 370.420 4.653 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc(Cl)c1O 587497860 LHDLCOCHKCVJSV-KRWDZBQOSA-N 358.821 4.640 0 1 FJAF O=C1C[C@H](c2[nH]c3nccc-3cc2Cl)Oc2c1ccc1c2CCCC1 587499351 ILBYFHCFYRHDSG-QGZVFWFLSA-N 352.821 4.753 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(F)F 587502575 FONWNMFDXMECLQ-GOSISDBHSA-N 374.383 4.882 0 1 FJAF Cc1nn(C(C)C)c(C)c1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587516977 YOGBJXOIOIGMHW-QFIPXVFZSA-N 352.478 4.840 0 1 FJAF C[C@]1(Cc2nc(-c3ccccc3)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587528474 ZTZQKGLBUXGENI-HSZRJFAPSA-N 374.440 4.582 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)c(F)c(F)c2)N1 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195137934 MCXWYACNYOTKNC-HPBXAODGSA-N 350.499 4.578 0 1 FJAF Cc1cc2nc(C[C@H]3CCCNC3)n(Cc3ccc(Cl)cc3)c2cc1C 205191074 LLYGWWMPKYKZGL-GOSISDBHSA-N 367.924 4.897 0 1 FJAF COc1cc2nc(Cc3sc(-c4ccccc4)nc3C)[nH]c2cc1F 587011168 IEFARBGHFBRQOE-UHFFFAOYSA-N 353.422 4.733 0 1 FJAF COc1ccc(Cc2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(F)c1 587149343 QYDFQYNSKHDBAH-UHFFFAOYSA-N 360.388 4.532 0 1 FJAF CC(=O)c1ccc2nc(-c3cc(F)ccc3-n3cnc4ccccc43)[nH]c2c1 587157575 AMUADOOGKRVKKA-UHFFFAOYSA-N 370.387 4.911 0 1 FJAF O=C(O)c1ccc2c(c1)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587207612 STYWKLUMAIUVMG-UHFFFAOYSA-N 363.372 4.716 0 1 FJAF O=C(Cn1nc(C2CC2)cc1C(F)F)c1coc2ccc(Cl)cc12 587279116 WMKFBNRTOHHKRQ-UHFFFAOYSA-N 350.752 4.981 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587421875 OBFUXESNKXMOMM-UWJYYQICSA-N 354.833 4.718 0 1 FJAF Cc1nnc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587525557 MVERQAAHYZRDRZ-HXUWFJFHSA-N 360.413 4.630 0 1 FJAF COC(=O)c1[nH]c2cc(F)ccc2c1C(=O)c1cc(Cl)ccc1Cl 587632667 GQUUHSZNIXFTOK-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF Cc1c(-c2c(Cl)cccc2Cl)[nH]c2ccc(S(C)(=O)=O)cc12 587649185 KRUGQDUTIQAQSK-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724317 GVRRVJGJGRTNBN-BBATYDOGSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3ccccc23)N1 587774909 OEHMKWBLIRMJQD-JEOXALJRSA-N 371.253 4.760 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587817211 JJTCQUGDRSJXKE-YUNKPMOVSA-N 374.297 4.929 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(Br)c(F)cc3[nH]2)c1 587932928 XFXOGQNHXRYNCI-JTQLQIEISA-N 363.230 4.819 0 1 FJAF COc1ccc(-c2nnc(/C=C/c3ccc(Br)s3)o2)cc1 653808318 FDWYLSKAIPDADL-VQHVLOKHSA-N 363.236 4.740 0 1 FJAF C[C@@H]1CCCc2ccccc2[C@@]12N[C@@H](C(=O)C(F)(F)F)Cc1ccccc12 962729369 IAMXEWDOFPBGNQ-MMACOIQUSA-N 373.418 4.548 0 1 FJAF Cc1ccc(-c2nc3ccccc3n2[C@H](C(=O)NC(C)(C)C)C2CC2)cc1 95598726 OOJRJDKGLWKXRI-FQEVSTJZSA-N 361.489 4.878 0 3 FJAF Nc1cccc2c1nc(-c1c(F)cccc1F)n2Cc1c(F)cccc1F 13518674 DVBVMVZJNSPCMP-UHFFFAOYSA-N 371.337 4.890 0 1 FJAF CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3cccc(O)c23)C1(C)C 14975768 BRXJBOGZEFKWPQ-UHFFFAOYSA-N 355.478 4.638 0 1 FJAF Cc1ncc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)s1 19642159 SRABPXSEPUDRHZ-AWEZNQCLSA-N 368.424 4.565 0 1 FJAF Oc1ccc(-c2nnc(COc3ccc(Cl)cc3Cl)s2)c(O)c1 28712196 BKKHWVFKWDORCD-UHFFFAOYSA-N 369.229 4.502 0 1 FJAF COc1ccc([C@H]2Sc3ccc(OC)cc3-n3cccc3C2=O)cc1 29224102 APROWGSNPHVGDQ-HXUWFJFHSA-N 351.427 4.524 0 1 FJAF COC(=O)[C@@H](C)Oc1ccc(N(C)c2ccc(Cl)cc2Cl)cc1 29254419 RKWFTOFKFJYOKZ-LLVKDONJSA-N 354.233 4.702 0 1 FJAF O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cc(Cl)c1 33904443 KGDSXEMDPHAXEU-UHFFFAOYSA-N 370.179 4.813 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 38158327 CAJALTAVRYNFRC-MZQFBNJXSA-N 359.554 4.789 0 1 FJAF Cc1cc(F)ccc1-c1ccc(C(=O)N(CC2CC2)C[C@@H]2CCCO2)cc1 40935822 UEQMWQDRMSYCRT-NRFANRHFSA-N 367.464 4.832 0 1 FJAF CCCc1nc(CC(C)(C)C)c(CN)c(-c2ccc(C)cc2)c1C(=O)O 66080355 YWQHCEYTLCXOCJ-UHFFFAOYSA-N 354.494 4.755 0 1 FJAF CC(C)Nc1ncc2nc(Nc3ccccc3F)n(C3CCCC3)c2n1 73197732 KEJPODFMUKBEAK-UHFFFAOYSA-N 354.433 4.644 0 1 FJAF CCOC(=O)CCc1ccc(-c2cccc(-c3csc(N)n3)c2)cc1 95558916 IWGSUMGIHRHLAD-UHFFFAOYSA-N 352.459 4.555 0 1 FJAF CC(C)(C)c1cc(Sc2ccccc2C(=O)O)nc(-c2ccccn2)n1 103418476 TWINXVMAENEZGF-UHFFFAOYSA-N 365.458 4.686 0 1 FJAF Cc1ccccc1Oc1ccc(C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 145801454 WBAJDBJJEYOOFL-UHFFFAOYSA-N 366.505 4.826 0 1 FJAF CC/C=C/[C@@H](CC)C/C(C)=C/[C@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC 169370189 AVSPCYKDNIUSRR-KFYZWBJZSA-N 352.515 4.628 0 1 FJAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(O)coc3c2)CC1 169727983 NWHYTINIPMNUJF-UHFFFAOYSA-N 374.481 4.978 0 1 FJAF Cc1cc(NCc2ccc(Cl)c(Cl)c2)c2cccc(C(N)=O)c2n1 473087360 FFTKIBKBBXSXRU-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF O=c1ccc2cc(-c3nc4cc(OCc5ccccc5)ccc4[nH]3)ccc2o1 586918284 NRAKHRWCMYYWDU-UHFFFAOYSA-N 368.392 4.915 0 1 FJAF Cc1c(Br)ccc2nc(Cc3csc(-c4ccco4)n3)[nH]c12 587017574 NMXXGTKXKPWUJF-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF Clc1cc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039836 GCXDIWDKPMCSPJ-HOTGVXAUSA-N 364.301 4.816 0 1 FJAF C[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc(Cl)cn1 587082103 KJMPKLOYQJPGIV-ZDUSSCGKSA-N 352.825 4.601 0 1 FJAF COc1cncc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c12 587095375 VTFNTHUUMKZCAA-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF O=C(O)c1ccc(-c2cc(-c3nc4ccccc4[nH]3)ccc2F)cc1F 587138234 DHGDOCVIPJIGIZ-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF Oc1c(Br)ccc2nc([C@@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587152305 LOARNBNBLSZQJD-RKDXNWHRSA-N 365.177 4.580 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)c(Cl)c1)O2 587382834 OYGFCTBOHAVLCF-HNNXBMFYSA-N 371.742 4.836 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1Cl 587498376 NOAKMOHSTDDCPY-KRWDZBQOSA-N 358.821 4.640 0 1 FJAF C[C@@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613487 PCVLBQIKWKKKBL-LPHOPBHVSA-N 372.829 4.984 0 1 FJAF CN1CCc2c(Br)cccc2[C@@H]1c1cccc2c1CCCC2 963269636 LIHZDOWXFUNEJR-FQEVSTJZSA-N 356.307 4.905 0 1 FJAF CC[C@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1C1CCCCC1 1857767241 FZIAYPBDSJTGFF-HNNXBMFYSA-N 353.384 4.928 0 1 FJAF O=C(CCc1ccc(Cl)cc1)C(=O)N1CCCC[C@H]1c1ccccc1 1911580712 ZQLXKBSRZJIKFS-IBGZPJMESA-N 355.865 4.596 0 1 FJAF COc1cc([C@@H](O)c2nc(-c3ccc(F)c(Cl)c3)cs2)ccc1F 61897043 YIYCJNDWYCOEHD-MRXNPFEDSA-N 367.804 4.832 0 3 FJAF CCCN(CCC)C(=O)c1ccccc1CN(CC)Cc1ccccc1 13862494 YAXQLWASFFSGIK-UHFFFAOYSA-N 352.522 4.971 0 1 FJAF c1ccc(-c2nc(-c3ccc(OCCCn4ccnn4)cc3)cs2)cc1 29476925 ZOTOMDHTETZQHU-UHFFFAOYSA-N 362.458 4.538 0 1 FJAF O=C1Nc2cc(Br)ccc2C1(c1ccccc1)c1ccccc1 29489579 RRPPMYYVJZDQOA-UHFFFAOYSA-N 364.242 4.736 0 1 FJAF CC[C@@](O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC 38267461 PSVUKSBGYCPEPY-JOCHJYFZSA-N 370.468 4.762 0 1 FJAF c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 64453710 MUQFJVJTHQHYQR-UHFFFAOYSA-N 366.468 4.623 0 1 FJAF COc1ccncc1-c1cc(NC(C)=O)cc(-c2cccc3[nH]ccc23)c1 66102802 GZTKTOWZZOCPJL-UHFFFAOYSA-N 357.413 4.864 0 1 FJAF COc1ccc(OC)c(-c2cc(NCc3cccc4ccccc34)ncn2)c1 82161284 XVOOFVQJWBBNCF-UHFFFAOYSA-N 371.440 4.926 0 1 FJAF COC(=O)[C@@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921423 MQZCTSZOSLGBFX-CIEHLBATSA-N 361.485 4.596 0 1 FJAF CC1(C)CC(=O)[C@@H]2C(=Nc3nc4c(c(N)c3[C@@H]2c2ccccc2)CCCC4)C1 169720973 GIDORMMWJGKQJZ-UXHICEINSA-N 373.500 4.766 0 1 FJAF CC1(C)OC[C@@H]([C@@]2(C)CC[C@@]3(C)[C@@H](CC[C@@]45C[C@]4(C)CC[C@H](O)[C@H]35)C2)O1 238742165 SKELSLCGYZIGFV-RUDDIRKCSA-N 362.554 4.912 0 1 FJAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@H]3[C@H]2C(=O)N1c1ccccc1 254081762 YQDIZAHKTNEAGG-NBJYBMASSA-N 370.452 4.729 0 1 FJAF CC1(c2cc(NC(=O)Nc3cccc(F)c3)n(-c3ccccc3)n2)CC1 299824542 LIAFEMWXGYBTML-UHFFFAOYSA-N 350.397 4.707 0 1 FJAF Cc1oc2c(c1-c1nc3ccc(OC(F)(F)F)cc3[nH]1)C(=O)CCC2 586904412 VRFRQVFPWYDZQD-UHFFFAOYSA-N 350.296 4.549 0 1 FJAF COc1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020442 SOAFGCDXPZOOLS-UHFFFAOYSA-N 351.431 4.582 0 1 FJAF Brc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2n1 587023635 NOKFUMOVRIEXBW-UHFFFAOYSA-N 363.265 4.572 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c12 587108706 PTGCILUZROZWHH-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H]1CC=C(CCCC(C)(C)O)CC1)O2 587404870 SMSUSPSBLQFPCV-OXQOHEQNSA-N 357.494 4.579 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3ccc(C(C)C)cc31)O2 587414986 XCEJOOINYMVRQO-JOCHJYFZSA-N 351.446 4.734 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(F)cc1Cl)CC2=O 587468035 WIGZVKQITVXVPV-QGZVFWFLSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3c1NCCC3)CC2=O 587479487 CKDSIXVPOFGMOG-JOCHJYFZSA-N 351.446 4.583 0 1 FJAF CC1=CCC[C@H](C)[C@@H]1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603993 TUHOTLWSXDOZKU-XYHOUYMGSA-N 350.414 4.715 0 1 FJAF CN(CCc1nc(-c2cccc(Cl)c2)cs1)C(=O)OC(C)(C)C 587920057 CEZLBAJMIBEVFB-UHFFFAOYSA-N 352.887 4.873 0 1 FJAF Cc1sc2c(c1C)CCN[C@@]21CCc2ccc(Br)cc2C1 963009922 FDMRBOUYIQQUOM-GOSISDBHSA-N 362.336 4.657 0 1 FJAF CC1=C[C@@H]2Cc3[nH]c4cc(Cl)ccc4c(=NCCCCCN)c3[C@H](C1)C2 1772623259 FFBAGVNFQIPFGR-JKSUJKDBSA-N 369.940 4.847 0 1 FJAF O=C(C=Cc1ccccc1)NC1=N[C@H]2CCCCCCCCCC[C@H]2O1 2356713987 XZORUNHMSUAKIS-VQTJNVASSA-N 354.494 4.854 0 1 FJAF COC(=O)c1ccc2nc(-c3ccccc3)c(Cc3cccc(F)c3)n2c1 95568549 WEPFRHLUQDLNTB-UHFFFAOYSA-N 360.388 4.518 0 3 FJAF O=C(O)Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1Cl 1485636 IIUGHUCESKCTGW-UHFFFAOYSA-N 371.767 4.585 0 1 FJAF Cc1ccccc1C(=O)N(C)c1cc(-c2ccccc2)sc1C(=O)O 3648500 GMDOMWOAZGYHCG-UHFFFAOYSA-N 351.427 4.698 0 1 FJAF CCCC(=O)c1cnc2c(CC(=O)O)cccc2c1Nc1ccccc1C 13742225 CTKKBGYUHUPAIJ-UHFFFAOYSA-N 362.429 4.897 0 1 FJAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@H]1CC2CCC1CC2 68152692 CVKMHBPGKJDEPZ-PEFYPHNPSA-N 367.533 4.659 0 1 FJAF CCOC(=O)c1c(/C=C\CCCCO[C@@H]2CCCCO2)cccc1OC 73067710 VKIKPGQXASGXBU-LFIXQJEJSA-N 362.466 4.599 0 1 FJAF O=C(CCCc1ccc(Cc2ccccc2)cc1)OC[C@@H]1CCCCO1 84632161 APPKTFBJYNMGKU-QFIPXVFZSA-N 352.474 4.712 0 1 FJAF C[C@@H](NC(=O)Nc1cc2n[nH]c(C3CC3)c2cn1)c1ccc(F)c(Cl)c1 205430558 YJUHMCJTHPGNNH-SECBINFHSA-N 373.819 4.511 0 1 FJAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@H]1CCCc2ncsc21 220887273 BNDGPZKLQURCND-SFHVURJKSA-N 364.470 4.672 0 1 FJAF CCOC(=O)c1ccc2nc([C@@H](CC)Oc3ccccc3Cl)[nH]c2c1 587062971 YNINVWLBHNODQL-MRXNPFEDSA-N 358.825 4.923 0 1 FJAF FC(F)(F)c1cnc2[nH]c(Cn3ccc4ccc(Cl)cc43)nc2c1 587079333 CQGAOMNVBQVQBT-UHFFFAOYSA-N 350.731 4.633 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]4C(=O)OC(C)(C)C)-c1ccccc1C2=O 587098388 XNXNVJUKOYYODD-INIZCTEOSA-N 371.436 4.736 0 1 FJAF O=C(NCc1nc2cc3ccccc3cc2[nH]1)c1cccc(C(F)(F)F)c1 587112313 SOPYUKHOFVMKRX-UHFFFAOYSA-N 369.346 4.665 0 1 FJAF COc1cc2nc(-c3cc(F)cc(Br)c3)[nH]c2cc1Cl 587161526 URFHZYHXSDGRHG-UHFFFAOYSA-N 355.594 4.794 0 1 FJAF COc1ccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2n1 587163487 JWMWWPDABIASAR-SDNWHVSQSA-N 351.406 4.756 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Cc4ccccc4)s1)[C@@H](C2)C3=O 587453637 XVWZFRIYWSITKO-HTAPYJJXSA-N 362.450 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(-c3ccccc3)no1)CC2=O 587482559 JKNGXVWIHQVTEH-JOCHJYFZSA-N 363.413 4.880 0 1 FJAF COc1ccc2c(c1)OCCC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536447 TXBGNWZBOANXSH-HSZRJFAPSA-N 364.441 4.607 0 1 FJAF Cc1cccc(OCc2nc3c(Cl)c(Br)cnc3[nH]2)c1C 587564177 MCVWUPACZSYBCB-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF CCOC(=O)c1c(-c2ccc(Cl)cc2F)[nH]c2c(C(=O)O)cccc12 587638351 XGHKOIQBNQYOED-UHFFFAOYSA-N 361.756 4.502 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CC[C@H]2c2ccccc2)N1 587818436 DEMWOCPWGXOQTI-XFHNUULXSA-N 360.270 4.895 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](/C=C/c2ccc(O)cc2)N1 587826371 AKKGTGICSJUHOO-HBRSOCQSSA-N 362.242 4.583 0 1 FJAF CCC(CC)(C(=O)OC)[C@@]1(C)NCCc2cccc(-c3ccccc3)c21 962664985 JCAHFHBTIMLSOF-QFIPXVFZSA-N 351.490 4.694 0 1 FJAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@@H](O)[C@@]1(C)C=C(O)C(=O)O1 2356865603 WCQMJODEMARIPM-VTAPXXACSA-N 360.494 4.792 0 1 FJAF C[C@](O)(c1cccc(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61898164 JDLHGIXSTMHISP-FQEVSTJZSA-N 350.418 4.753 0 3 FJAF CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccccc1OCC 2455779 NWIMAIDOFIQPMM-UHFFFAOYSA-N 366.417 4.562 0 1 FJAF C[C@@H](OC(=O)c1ccccc1)[C@H](OC(=O)c1ccccc1)c1ccccc1 14652133 ZKASYRHNYFCICF-UTKZUKDTSA-N 360.409 4.830 0 1 FJAF biogenic c1ccc(CN2CCN3C[C@@H](c4ccccc4)c4ccccc4[C@@H]3C2)cc1 25964258 GYLOKBQKBMWTMJ-DQEYMECFSA-N 354.497 4.691 0 1 FJAF Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)nn1-c1cccs1 26389498 LQGBPKCKDMLBCL-UHFFFAOYSA-N 352.246 4.801 0 1 FJAF c1ccc(C2(c3ccccc3)OC[C@H](CCCCN3CCCCC3)O2)cc1 28816339 AFVKOUNKXYZIPI-QHCPKHFHSA-N 365.517 4.959 0 1 FJAF COc1cc(/C=C\Cc2cc(O)c3ccccc3c2)cc(OC)c1OC 40763366 QZAVMAFBOIPPAD-VURMDHGXSA-N 350.414 4.827 0 1 FJAF Cc1cc(-c2ccnn2C)c2cccc(OCc3ccncc3Cl)c2n1 43015859 IOAUDDRZVZJSGW-UHFFFAOYSA-N 364.836 4.571 0 1 FJAF Cc1ccccc1-c1ccc(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)cc1 64528483 QRXDWYYABOIIQV-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF Clc1ccc(CO[C@H](CCn2cncn2)c2cccs2)c(Cl)c1 71318641 UMFMFYYCJMWUKZ-OAHLLOKOSA-N 368.289 4.995 0 1 FJAF O=c1ccn2nc(Oc3ccc(F)cc3F)ccc2c1-c1ccccc1F 84732704 SWPXGFWJBPCQJS-UHFFFAOYSA-N 368.314 4.571 0 1 FJAF CCCCNC(=O)Oc1cccc(-c2ccc([C@H](C)C(=O)O)cc2F)c1 143845055 QRJLAXYGBNEKPP-ZDUSSCGKSA-N 359.397 4.569 0 1 FJAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2cccnc2)c1 205172915 FMRYGOIHTMRTMI-OAQYLSRUSA-N 357.413 4.608 0 1 FJAF CC(C)CNC(=O)/C=C/C=C\CCCCCCc1ccc2c(c1)OCO2 221171118 DMIKQRDDTCGOLE-DEOFSOSHSA-N 357.494 4.793 0 1 FJAF Nc1nc(O)c2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]c2n1 299830676 XVZPHSVQJRANHB-UHFFFAOYSA-N 371.227 4.887 0 1 FJAF Clc1ncc(Br)c2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586885303 LWBJCXJJAPBPRL-PIGZYNQJSA-N 374.669 4.745 0 1 FJAF Cc1ccc2c(ccc3nc(-c4nc(Br)ccc4Cl)[nH]c32)n1 587004876 AVHPYFMMBXUNQU-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF Oc1nccc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc12 587063758 VJLRNUMMJXCXIZ-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cn(CC(C)C)c4ccccc14)[C@@H](C2)C3=O 587429820 DFUPTOZBOQMFSO-SBUREZEXSA-N 361.441 4.795 0 1 FJAF CCCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 587477578 DASXJMZHRBITHM-NRFANRHFSA-N 370.445 4.936 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Cl 587569234 HCGXFAQYNBCXEY-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF CCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615646 XIQIVZQXBJHJAX-XLIONFOSSA-N 352.411 4.719 0 1 FJAF CC[C@@]1(c2cc(Cl)ccc2Cl)c2ccsc2CCN1C(N)=O 962705891 HOLSZMOHHKSIRO-INIZCTEOSA-N 355.290 4.645 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](CCCC2OCC(C)(C)CO2)N1 962938906 ANJNPFMCOOAGFE-DNVCBOLYSA-N 356.510 4.703 0 1 FJAF CSC(=C[C@@]1(c2ccccc2C)NCCc2ccc(O)cc21)SC 963344168 ZWOUBQBHYJKPCR-FQEVSTJZSA-N 357.544 4.657 0 1 FJAF O=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1c1ccccc1 1857610888 NUHWYFGPJVVHHL-UHFFFAOYSA-N 352.393 4.959 0 1 FJAF COc1ccc(C(C)C)cc1-c1cn2c(-c3ccc(O)cc3)cnc2cn1 2382240948 YAMSWQMDUKQRFQ-UHFFFAOYSA-N 359.429 4.901 0 1 FJAF CCc1ccccc1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccs1 4886429 FXZKPMWWWRDVCA-AYHJJNSGSA-N 369.534 4.628 0 3 FJAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccc(F)cc3)ccc2o1 3818810 VGSYEFOBFMUWGO-OAHLLOKOSA-N 351.421 4.830 0 1 FJAF O=C(NCc1cccc(F)c1)c1ccc2nc(CCc3ccccc3)oc2c1 8611227 KGBMARXHFAPORE-UHFFFAOYSA-N 374.415 4.682 0 1 FJAF CC[C@@](O)(c1cccc(OCCCc2ccccc2)c1)c1nccs1 26277661 KUFDFWHZVMYOMT-OAQYLSRUSA-N 353.487 4.801 0 1 FJAF COc1ccccc1[C@@H](c1ccccc1)N1CCC(O)(c2ccccc2)CC1 28708214 DFUCPZAAMSSVDD-XMMPIXPASA-N 373.496 4.768 0 1 FJAF Oc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1 29043906 KBWRDVRNLUGJPD-NRFANRHFSA-N 373.481 4.940 0 1 FJAF C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)C(=O)O1 40943754 ATUWQNWKWUCHNT-GFCCVEGCSA-N 351.324 4.593 0 1 FJAF CCCC[C@H](CC)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147125170 OIQPCFHRGUSHSO-JKHGRRGMSA-N 364.526 4.916 0 1 FJAF CCc1c([C@@H](C)c2c(F)cccc2Cl)nc(SC(C)C)[nH]c1=O 169352207 DDGKQZBTWCQEJL-JTQLQIEISA-N 354.878 4.777 0 1 FJAF COc1ccc(N(C)c2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1 207421933 GCKTWBJEXJWFHY-UHFFFAOYSA-N 372.472 4.644 0 1 FJAF CCCC[C@H](C)COC[C@@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 299804829 YFJUFXGBUYGFIH-OTDIIHOESA-N 352.515 4.824 0 1 FJAF O=C(Nc1ccccc1)Nc1cccc(-c2cccc(N3CCCC3)n2)c1 299839568 YTZKNNAQINHHJH-UHFFFAOYSA-N 358.445 4.993 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898976 UQYCYPNAZMXPDR-UHFFFAOYSA-N 358.397 4.779 0 1 FJAF Cc1oc2c(c1-c1nc3ccc(Br)c(C)c3[nH]1)C(=O)CCC2 586903064 GVDXZZPSEDLOCI-UHFFFAOYSA-N 359.223 4.721 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc3ccccc3cc2[nH]1 587067386 XRVGLVWUWBXKHV-UHFFFAOYSA-N 366.804 4.770 0 1 FJAF Cc1nc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1Br 587098798 XAKANWALTYJQEZ-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF Cc1ccc2c3c(cc(CCCCCC(=O)O)nc13)-c1ccccc1C2=O 587101998 YHDJRQYIPQUTBI-UHFFFAOYSA-N 359.425 4.942 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccc(Cl)c1)(c1ccccn1)O2 587379048 RKSGHGLIDHCOSM-NRFANRHFSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCSc3ccc(Cl)cc31)O2 587415309 QZQFEPBBSCKGCX-IBGZPJMESA-N 359.878 4.977 0 1 FJAF C[C@@]1(C(=O)c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587503459 UOKRLMMMDPQAHC-NRFANRHFSA-N 354.833 4.826 0 1 FJAF C/C(=C/[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587531510 LKVLRXATPNTAJZ-VNDCNEEASA-N 367.514 4.953 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(C)c3c2)N1 587758552 QRHFWXDQDQFCJX-NSPYISDASA-N 373.269 4.704 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587824125 UQZRXMKPQVATHI-PGICJIBASA-N 374.297 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1C[C@H]2C 587824610 XTPMFUGLNSUMCK-CLUVUEOHSA-N 360.270 4.558 0 1 FJAF O=C(c1cc2cccc(F)c2s1)n1nc2cc1Oc1ccc(F)cc1-2 587873668 KBMNZYWSSMKRCL-UHFFFAOYSA-N 354.337 4.837 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4c(F)cnc(Cl)c4[nH]3)c2)c1 587933039 JAANABHBIMSYJH-UHFFFAOYSA-N 369.783 4.799 0 1 FJAF CN1CCc2c(Br)cccc2[C@@]1(C)c1cc2c(s1)CCC2 963288581 DTAHSQYGSSSMPV-SFHVURJKSA-N 362.336 4.751 0 1 FJAF Clc1cccc2c1[C@]1(NCC2)c2ccccc2-c2n[nH]c3cccc1c23 963391213 QGAGCKNKQMPWBG-QFIPXVFZSA-N 357.844 4.634 0 1 FJAF CCCN(CC)[C@H](c1ccccn1)[C@@H](c1ccccn1)N(CC)CCC 1857539243 QEOUREZPAIWERV-FGZHOGPDSA-N 354.542 4.723 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1F 1857567036 DUPPOOZFRSIYCS-HRAATJIYSA-N 365.452 4.534 0 1 FJAF Cc1cccc(C)c1NC(=O)NC1C[C@@H]2CC[C@H](C1)N2Cc1cccs1 4886418 QBTGOPARCIIRAR-AYHJJNSGSA-N 369.534 4.682 0 3 FJAF C[C@@H](Nc1cc(-c2ccccn2)nc(-c2ccccn2)n1)c1ccccc1 1503831 NJXAXNHNWJXUJG-MRXNPFEDSA-N 353.429 4.774 0 1 FJAF COc1ccc2cc([C@@](O)(c3ccc(Cl)cc3)c3cccnc3)oc2c1 13680606 TWWWJBRBILYRPV-OAQYLSRUSA-N 365.816 4.774 0 1 FJAF Cc1cccc(CN2CCC(CCC(=O)c3ccc4c(c3)CCN4)CC2)c1 13737846 HANOAHGFQIRMPT-UHFFFAOYSA-N 362.517 4.838 0 1 FJAF COc1cc2c(cc1C(=O)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C 13738448 DDJVSSMSKVUAQT-UHFFFAOYSA-N 366.457 4.973 0 1 FJAF NCCCCCCN1CCc2cc(Cl)c(O)cc2[C@H](c2ccccc2)C1 13743907 AXHDPJPTYSIEGZ-FQEVSTJZSA-N 372.940 4.555 0 1 FJAF CCSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccnc1)CC2 13779452 SZMGAQKVODISQU-UHFFFAOYSA-N 367.396 4.807 0 1 FJAF c1ccc2[nH]c(-c3ccc4[nH]c(-c5ccc6[nH]cnc6c5)nc4c3)nc2c1 27185588 MDQUSDTWCFUIKZ-UHFFFAOYSA-N 350.385 4.650 0 1 FJAF CCc1ccc2c(c1)[C@@H](c1ccc(C(=O)OC)cc1)[C@@H]1CCN(CC)C[C@H]21 27859091 DKULLMMBPVJDOJ-MZYLBHOOSA-N 363.501 4.607 0 1 FJAF Clc1ccc(-c2cnc3cc4c(cc3n2)[C@H]2CNC[C@@H]4C2)c(Cl)c1 28527286 DARDPWIATXWZOT-WDEREUQCSA-N 356.256 4.778 0 1 FJAF CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)nc1OC 34282810 PBQNAQLFOBVUQO-UHFFFAOYSA-N 371.525 4.966 0 1 FJAF CN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1 40379220 DKICFZCZJPNDET-UHFFFAOYSA-N 364.426 4.864 0 1 FJAF CCOc1ccc2c(=O)c(-c3ccc(OCC)c(OCC)c3)coc2c1 40619707 CYGZSNBBBWDCLM-UHFFFAOYSA-N 354.402 4.656 0 1 FJAF biogenic COc1cc(Cl)c2nc(C)c3c(C)nc(-c4ccncc4C)n3c2c1 73157973 JWFAMJCCIUWJGA-UHFFFAOYSA-N 352.825 4.532 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152314 VSHUCQXNUSYTML-BCDXTJNWSA-N 356.491 4.517 0 1 FJAF COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)c[nH]c23)c(OC)c1 169332551 IPEKSYPVXODJRH-UHFFFAOYSA-N 374.444 4.618 0 1 FJAF CC(C)Cc1ccc([C@H](C)C(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 299823759 UJCVXWLSXCRHLZ-INIZCTEOSA-N 364.489 4.534 0 1 FJAF C[C@@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OS(=O)(=O)O)CC[C@]3(C)[C@H]1CC2 473090864 PXZHWQMJDSMLJK-DLEIETQISA-N 356.528 4.607 0 1 FJAF CC(C)CCOc1cc2nc([C@@H](O)CC(C)C)[nH]c2cc1Br 586901091 OPUDJDHMUDHNTN-HNNXBMFYSA-N 369.303 4.830 0 1 FJAF O=[S@](Cc1nc2ccc(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959228 JVYZYWSXVBDUJR-AREMUKBSSA-N 364.445 4.740 0 1 FJAF Cc1ccc(CSCCc2nc3cc(Br)ncc3[nH]2)cc1 586971562 ZMJZZLFRAQYKSE-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF Cc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587018057 RUOZARYZPDYDLK-UHFFFAOYSA-N 357.442 4.709 0 1 FJAF COc1cc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2cn1 587068982 CENBQSUDSLMYFQ-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF COc1cc(F)ccc1-c1cccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)c1 587159745 WMYJWFOKABSARV-UHFFFAOYSA-N 372.403 4.845 0 1 FJAF Fc1ccc(OCc2nc3cc(Cl)cc(Br)c3[nH]2)cc1 587168379 HNLVXTOAKGJNBP-UHFFFAOYSA-N 355.594 4.697 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)c(N)c(C(F)(F)F)c1)O2 587380364 DLRWPHLHTHHGBM-CQSZACIVSA-N 370.758 4.538 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccc(F)cc1)(c1ccccc1)[C@@H](C2)C3=O 587427961 KMTNPACGLWWTEF-GBXCKJPGSA-N 374.411 4.720 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(C)c1)[C@@H](C2)C3=O 587445157 INMWYKVDNIEMKK-RDPSFJRHSA-N 356.421 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(F)ccc3n1C)CC2=O 587473307 ZSHFRNHTQYYTDZ-FQEVSTJZSA-N 353.393 4.682 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604468 UEYVBFIHXIZSNC-WONHAXNMSA-N 372.420 4.832 0 1 FJAF Cc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587604624 XLYZQKUSPAPFRS-REWPJTCUSA-N 360.409 4.886 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NCc1ccc(Cl)cc1 587628462 LFJAHXDTCANEIL-UHFFFAOYSA-N 351.208 4.852 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)F)[nH]c3cc(Cl)c(F)cc23)c1C 587629739 ZUNXXASOSVMCTO-UHFFFAOYSA-N 355.747 4.654 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@@H]2c2ccccc2)N1 587822132 IZOONKPSPUWBJM-HHPVRZFTSA-N 360.270 4.967 0 1 FJAF O=C1CS[C@H](c2ccccc2C(F)(F)F)c2cc(Cl)cnc2N1 653803274 JVZDVURLUCKGQB-CYBMUJFWSA-N 358.772 4.529 0 1 FJAF CC(C)c1ccccc1-n1cccc1[C@@H]1NCCc2c1c(C(C)C)nn2C 962923131 YIKMXWSOOFBIPD-QHCPKHFHSA-N 362.521 4.693 0 1 FJAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3ccccc3cn2)c1 963013083 QIEOVXKAAPFPPY-JOCHJYFZSA-N 357.482 4.839 0 1 FJAF CCCCCCOc1ccc([C@@H]2NCCc3c(C)ccnc32)cc1OC 963071280 QKRHDXKWIBVCBU-NRFANRHFSA-N 354.494 4.593 0 1 FJAF COc1ccccc1-c1cnc(N)c(C(=O)Nc2c(C)cccc2Cl)c1 1857589490 YCLGIHOFAJTGAA-UHFFFAOYSA-N 367.836 4.554 0 1 FJAF COc1ccc([C@H]2CCCC[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857611379 UQCIIGQMKVSWIN-IAGOWNOFSA-N 372.461 4.868 0 1 FJAF Clc1ccc(CN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857763687 ILFAKZXXQRDCHB-YVNJGZBMSA-N 356.941 4.735 0 1 FJAF COP(=O)(OC)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 169340714 PBKXKTPVLDNPRN-INIZCTEOSA-N 354.726 4.682 0 3 FJAF COc1cc2c(c(OC)c1CC=C(C)C)[C@@H]1Oc3cc(O)ccc3[C@H]1CO2 14819612 ZCGOJWAIXQAUMW-OPAMFIHVSA-N 368.429 4.528 0 1 FJAF endogenous,in-man CC(C)c1nnc2ccc(-c3ocnc3-c3cc(Cl)ccc3F)cn12 14961198 AUKXECFBNFRGCT-UHFFFAOYSA-N 356.788 4.967 0 1 FJAF CC(C)C[C@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18044735 FBDKOQFGRLCPEZ-RBBKRZOGSA-N 368.498 4.746 0 1 FJAF CC(C)(C)c1ccc2c(c1)CC[C@H]2NC(=S)Nc1cccc2[nH]ncc12 28964994 YUUDESVPIRVOGN-GOSISDBHSA-N 364.518 4.834 0 1 FJAF CC(C)(C)c1ccc2c(c1)C[C@@H](F)[C@H]2NC(=O)Nc1cccc2[nH]ncc12 28965022 GNRVWTIJRDMIID-APWZRJJASA-N 366.440 4.617 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)c1c2c(=O)n(-c2ccccc2)n1Cc1ccccc1 35285332 CHVFRXVZTYHSFP-DVECYGJZSA-N 358.485 4.862 0 1 FJAF O=C1C[C@@H](c2nc(-c3cccc(Cl)c3)no2)CN1c1cccc(Cl)c1 38919460 UOFQETXIPKMWEY-GFCCVEGCSA-N 374.227 4.564 0 1 FJAF c1ccc(NC2=NCCCS2)c(CCNc2nc3ccccc3s2)c1 49231574 VPNBBRJYCHWEJT-UHFFFAOYSA-N 368.531 4.856 0 1 FJAF Cc1cccc(-c2nc(N3CCC(C)CC3)ncc2-c2nc(C)c(C)o2)c1 82173481 QTVCPIPYTCFUNW-UHFFFAOYSA-N 362.477 4.960 0 1 FJAF Oc1ccc(SC[C@@H](O)COc2ccc(Cc3ccccc3)cc2)cc1 84729891 HCKWAIZMUDPQAL-FQEVSTJZSA-N 366.482 4.515 0 1 FJAF CN(C1C[C@@H]2CC[C@@H](C1)N2C)C(c1ccc(F)cc1)c1ccc(F)cc1 101060962 JSMMTOCSBNIMIR-PMACEKPBSA-N 356.460 4.611 0 1 FJAF CC1=CCC/C(C)=C/[C@@H](O)[C@@H](C(C)C)[C@H](OC(=O)c2ccc(O)cc2)C1 299843951 XUVXBQLHPFQADG-ACXGVAEOSA-N 358.478 4.627 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc(C(F)(F)F)ncc4[nH]3)C2)c1 587131678 RKWIFYAHEYSOQM-UHFFFAOYSA-N 353.294 4.858 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cccc(Br)c2[nH]1 587151644 UCFHSWSQUWLFSZ-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF CC1(C)[C@H]2CC[C@@]1(C(=O)O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587205653 AZDQGFLIRDFZGR-OWJWWREXSA-N 369.420 4.686 0 1 FJAF O=C(c1cc(-c2cc3c4c(cccc4n2)CC3)c[nH]1)C(Cl)(Cl)Cl 587209839 ZXLVUIGBXZDUJO-UHFFFAOYSA-N 365.647 4.881 0 1 FJAF Cc1cccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338955 PGKYNKSFNRSOJL-UGKGYDQZSA-N 363.388 4.509 0 1 FJAF C[C@@H]1c2ccccc2C[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356056 YYQWPSRTYFKAES-DXHOUVOYSA-N 374.411 4.989 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cc3ccccc3)ccc1O)O2 587402724 BSIBZRAYMMZASB-JOCHJYFZSA-N 359.425 4.580 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(O)cc3)s1)O2 587408767 DGMHLIGNVVFVKJ-QGZVFWFLSA-N 351.427 4.718 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c3cccnc13)CC2=O 587472454 QUMDIMJRCAULNX-LJQANCHMSA-N 351.377 4.739 0 1 FJAF CCC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619782 ZDPUCJXCEVOKLF-SIKLNZKXSA-N 364.397 4.728 0 1 FJAF O=C(O)CCc1c(-c2ccc(Br)cc2)[nH]c2cc(F)ccc12 587632556 JQWBSJAKVGMHKV-UHFFFAOYSA-N 362.198 4.754 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3cc[nH]c23)N1 587802511 MGOHAAYKBHIWDG-JEOXALJRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2S)N1 587844437 NXJNUAMGYQVBOY-QGHHPUGFSA-N 366.299 4.675 0 1 FJAF COc1ccc2c(c1)[C@H](c1conc1Cc1ccccc1)N(C(C)C)CC2 962094806 SSUFQPSAVXSGOU-HSZRJFAPSA-N 362.473 4.630 0 1 FJAF CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3cc(Cl)ccc3C)C2)cc1 1772587038 GHKPUXWXIXYMAM-YWZLYKJASA-N 372.896 4.503 0 1 FJAF CC(=O)c1ccc(-c2[nH]c3ccccc3c(=O)c2C(=O)c2ccccc2)cc1 1772656633 MROSHFVQKSLKHX-UHFFFAOYSA-N 367.404 4.629 0 1 FJAF O=c1cc(Cc2ccc3ccccc3c2)nc(SC2CCCCC2)[nH]1 13761937 KTCQDNOOLNVXBA-UHFFFAOYSA-N 350.487 4.939 0 1 FJAF OC[C@H]1O[C@H](c2ccccc2)C=C[C@@H]1Oc1ccc(C2CCCC2)cc1 13783052 NQAJYCGJAFXJBZ-RJGXRXQPSA-N 350.458 4.780 0 1 FJAF COc1cccc([C@H](c2ccc(OCCN(C)C)cc2)c2cccs2)c1 29130773 IWCFUVMUABGNPW-QFIPXVFZSA-N 367.514 4.877 0 1 FJAF CC/C=C/[C@H](CC)C/C(C)=C/[C@@](O)(CC)C[C@@H](CC)[C@H](O)CC(=O)O 39052811 VSFCXUJTWJIBPN-KBYMKNFISA-N 354.531 4.708 0 1 FJAF COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 100779280 BMUVJFGCCPHXOJ-MCFFVMPBSA-N 358.478 4.893 0 1 FJAF endogenous,in-man O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(Nc3ccccc3F)c12 137490141 OBBIDOBHPRNBKW-UHFFFAOYSA-N 365.316 4.865 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]21C 169323788 RDPJISLOFXUIDK-LVUPJQOLSA-N 357.538 4.515 0 1 FJAF COc1cc(/C=C/c2ccc(F)cc2)c(C(=O)O)c(O)c1CC=C(C)C 207997554 UKWXNGQXYDESKD-VMPITWQZSA-N 356.393 4.917 0 1 FJAF Clc1c(Br)cnc2nc(-c3cc4c(s3)CCC4)[nH]c12 587033214 HHSCERSMZXPXGW-UHFFFAOYSA-N 354.660 4.591 0 1 FJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4cc(F)cnc4[nH]3)c2)c1 587049838 MBPFPECJFNKVFD-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF COc1cccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c12 587065561 RXDUBMGVXOANLK-UHFFFAOYSA-N 352.825 4.694 0 1 FJAF Cc1cc(Br)c(-c2nc3ccc4ncccc4c3[nH]2)cc1F 587137729 ILEQYOODRQMRPM-UHFFFAOYSA-N 356.198 4.988 0 1 FJAF Fc1cccc([C@@H]2C[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160930 IODFNYVYJBEETM-VHSXEESVSA-N 366.621 4.784 0 1 FJAF Cc1c(F)ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c12 587167621 PAQMLAYTYFBTHU-INIZCTEOSA-N 356.376 4.519 0 1 FJAF CC(C)[C@@H](c1nc2cc(F)cc(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197562 HQVKWWYNYPCLPA-SFHVURJKSA-N 373.403 4.807 0 1 FJAF C[C@@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346641 AAVWNMXWJXUXHW-IRLDBZIGSA-N 364.372 4.511 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(CC(c3ccc(C(F)(F)F)cc3)C1)O2 587383810 VSIDPHCSQBUIRT-UHFFFAOYSA-N 361.363 4.878 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OCC(C)C)[C@@H](C2)C3=O 587417872 FMTBQDSRIHZJDR-KKSFZXQISA-N 372.848 4.872 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3cncnc3)cc1)CC2=O 587490050 OHQGKNDXVLFNIO-OAQYLSRUSA-N 360.413 4.508 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(Cc1nc3ccccc3s1)CC2=O 587496746 TYVSCVZTZJNYAW-NRFANRHFSA-N 367.470 4.921 0 1 FJAF O=C1C[C@]2(CCOc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587502212 UIGXJCQOTIWVSJ-NRFANRHFSA-N 354.833 4.862 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccccc2S)N1 587841736 CHDMQSDNSLRWON-BTDLBPIBSA-N 366.299 4.675 0 1 FJAF CC(=O)OC1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]21C[C@H](c2ccoc2)OC1=O 2356331291 YQBLLNPEOGXFFB-XLKVYAKGSA-N 358.434 4.547 0 1 FJAF C[C@@H]1C=C[C@@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)CC1 2356747235 ZSDHBKWEFFUPKB-CDMIOBSGSA-N 372.505 4.569 0 1 FJAF Cc1ccc(CN(C[C@H](O)COc2ccc3[nH]ccc3c2)C(C)(C)C)cc1 2382259767 GRTCRJWKMPOLHR-FQEVSTJZSA-N 366.505 4.517 0 1 FJAF CCOC(=O)c1ccc(N2C(=O)[C@@H](c3ccccc3)[C@H]2c2ccccc2)cc1 35967024 MYGGERIBKURDAG-FCHUYYIVSA-N 371.436 4.735 0 3 FJAF CC(C)CNC(=O)/C=C/CCCC/C=C/C=C/c1ccc2c(c1)OCO2 14658327 VGIPIHKQNLOKES-ZNOFIXJLSA-N 355.478 4.874 0 1 FJAF C[C@H]1CN=C2N1C[C@H](C1CCCCC1)N2[C@H](C)C12CC3CC(CC(C3)C1)C2 27203794 ZBDCUQOORJRVEG-ZBOUIAKUSA-N 369.597 4.916 0 1 FJAF C[C@@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C 28367349 BRZMIZNCFORRIR-PQRODAJWSA-N 369.512 4.944 0 1 FJAF O=C(CCc1cn(Cc2ccccc2)c2ccccc12)Nc1ccncc1 28374812 PJYBPLBZSGJPAP-UHFFFAOYSA-N 355.441 4.656 0 1 FJAF CC[C@]1(c2cccc(OC(=O)c3c(C)cccc3N)c2)CCCCN(C)C1 28477952 MCEYQHVDNQNONO-QHCPKHFHSA-N 366.505 4.560 0 1 FJAF Cc1cc(-c2ccsc2)cc(C)c1/C=C/c1cncc(-c2nnn[nH]2)c1 28604390 MPXFTNKMVDIBDC-ONEGZZNKSA-N 359.458 4.777 0 1 FJAF CCCCc1cnn2c(NCc3cccnc3)cc(-c3ccccc3)nc12 28958713 MBSUEWBUYHTNEP-UHFFFAOYSA-N 357.461 4.746 0 1 FJAF O=C(O)Cc1sc(NCc2ccccc2)nc1-c1ccc(Cl)cc1 33865777 IIXZWILRBFHZPU-UHFFFAOYSA-N 358.850 4.703 0 1 FJAF C[C@H](CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@@]21C 45288326 OYVGUGDAAZPUSG-OKOUTAFASA-N 360.538 4.895 0 1 FJAF COc1cc(CNCc2coc(-c3cccc4ccccc34)n2)cc(OC)c1 72183806 QPWXWVZVGHVYIS-UHFFFAOYSA-N 374.440 4.802 0 1 FJAF O=C(O)Cn1c(SCc2ccc(Cl)c(Cl)c2)nc2ccccc21 84654045 PNEIONPKGKJMIB-UHFFFAOYSA-N 367.257 4.720 0 1 FJAF COc1cccc(CCc2ccccc2NC(=O)c2cccc(OC)c2)c1 169311023 ZOGZXXJSBZFYQR-UHFFFAOYSA-N 361.441 4.741 0 1 FJAF Cc1c(-c2ccc(O)c(F)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987202 ULBLDDXWAXMNTL-UHFFFAOYSA-N 371.367 4.972 0 1 FJAF COc1cccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c12 587247208 KTCGPUOMUIDUGG-UHFFFAOYSA-N 359.429 4.986 0 1 FJAF COC(=O)C1(c2cc(-c3cccc(OC)c3)c3oc4ccccc4c3n2)CC1 587363731 TZEGPVNVDMXAAV-UHFFFAOYSA-N 373.408 4.861 0 1 FJAF CC[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379494 YLNZSBHPEPJBOM-XLIONFOSSA-N 369.417 4.652 0 1 FJAF CCOc1ccc2ccccc2c1[C@@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443437 VKYMSNMQSFHFEL-UZUQRXQVSA-N 360.409 4.736 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccc(F)c(C)c3n1C)CC2=O 587467292 QJGAMYLGLPCLBU-FQEVSTJZSA-N 367.420 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccccc1N)CC2=O 587468178 BOFBRDZYMDQENQ-XMMPIXPASA-N 373.452 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc3c1OC(C)(C)C3)CC2=O 587487030 YLCFJUKBNSDHSB-LJQANCHMSA-N 352.430 4.765 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1OC 587521169 BAROWEXWQPPTOP-FQEVSTJZSA-N 352.430 4.598 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1C 587524351 MEPROCJMGXIHFT-HXUWFJFHSA-N 352.430 4.598 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602300 HPXPKXVQKBWMLZ-XHJKUMLUSA-N 364.441 4.939 0 1 FJAF CCOc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587801103 IPIDUPAGLOKYSG-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]2c2ccccc2)N1 587818435 DEMWOCPWGXOQTI-PEELUZDISA-N 360.270 4.895 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cnc(C(F)(F)F)[nH]c-4n3)ccc2c1 587933931 AMYNTOBOFVYOQS-SNVBAGLBSA-N 372.350 4.637 0 1 FJAF O=c1cc(COc2cccc(Cl)c2)nc2scc(-c3ccccc3)n12 621431140 QTBYBUCIUXUZKR-UHFFFAOYSA-N 368.845 4.655 0 1 FJAF COc1ccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)cc1 653776533 BFGRFEPBUJZQCW-UHFFFAOYSA-N 360.369 4.910 0 1 FJAF CC(C)Cc1ccc([C@@H]2c3ccsc3CCN2Cc2cccn2C)[nH]1 962369317 CQQNYQJNMCWQTN-NRFANRHFSA-N 353.535 4.761 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc(Br)c2)N1 962939627 BOZUXBIPAUVKQS-UGSOOPFHSA-N 371.278 4.650 0 1 FJAF c1cncc(CN2CCc3sccc3[C@@H]2c2cc3c(s2)CCC3)c1 963018609 XDEBWPNTPIQKNJ-HXUWFJFHSA-N 352.528 4.841 0 1 FJAF CN(C)c1ccc(NC(=O)c2ccc(COc3cccc(Cl)c3)o2)cc1 3634492 BZEQRMREWARERO-UHFFFAOYSA-N 370.836 4.830 0 3 FJAF CCNc1nc(N)c2c(ccc3c2ccn3Cc2ccc(C(C)C)cc2)n1 26187885 YQFIMEXQDWBTOJ-UHFFFAOYSA-N 359.477 4.770 0 1 FJAF COc1cc(NC(=O)/C=C/c2c(C)cc(F)cc2C)ccc1-c1cnco1 26716519 LIYMSZSRLVPVSH-VOTSOKGWSA-N 366.392 4.758 0 1 FJAF CC(C)(C)c1ccc(N2CCCN(c3ccc(C(=O)O)cc3)C2=O)cc1 28365573 NAHVWOHABZOSMU-UHFFFAOYSA-N 352.434 4.519 0 1 FJAF CC(C)[C@@H]1[C@@H]2CC[C@H]1c1cccc(NC(=O)c3cn(C)nc3C(F)F)c12 38212536 XTDZGXBTXBEZDN-XEZPLFJOSA-N 359.420 4.857 0 1 FJAF in-vitro O=C(N1CCC[C@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 43016803 JSYLIEBKQBNGGC-QFIPXVFZSA-N 365.904 4.878 0 1 FJAF Cc1ccc(C(=O)NCC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72109394 MCQHBJOFZILBBG-UHFFFAOYSA-N 374.484 4.566 0 1 FJAF CO[C@@H]1OC[C@@H]2CCC([C@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@H]21 85692720 ZACQAWRFBSMZEU-WOYSCBECSA-N 350.499 4.639 0 1 FJAF biogenic COC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1cccc(C(F)(F)F)c1 95584736 WMQBONLRAUJCIX-GOSISDBHSA-N 373.374 4.875 0 1 FJAF COc1ccnc(Nc2ccc(Cl)c(OCc3ccccc3C)c2)n1 103248580 IAAJYBUPPGDSAH-UHFFFAOYSA-N 355.825 4.770 0 1 FJAF CCCC[C@@H](C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147027717 HYWUHKAWNFZUTL-LUDVJNBYSA-N 350.499 4.526 0 1 FJAF O=C1O[C@]2(CCc3ccccc32)CC(O)=C1Sc1ccccc1Cl 219048327 RBPDUTMGGGWCRQ-LJQANCHMSA-N 358.846 4.990 0 1 FJAF in-vitro CCCOc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1Br 586916887 IDPAITNFGCQCPG-BONVTDFDSA-N 353.260 4.602 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2ccc(F)c(Br)c2[nH]1 587013030 VYTUFBBQVUACDO-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF C[C@H]1CCc2sc(-c3nc4c(O)c(Br)ccc4[nH]3)cc2C1 587033817 NKPWUQDNGHDYJD-QMMMGPOBSA-N 363.280 4.884 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(C(F)(F)F)cc(F)cc2[nH]1 587069737 FETNQYCOXYGIFO-UHFFFAOYSA-N 356.706 4.800 0 1 FJAF Cc1cc(Cl)cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c12 587127255 UTIDATWLELBGRP-UFBFGSQYSA-N 369.778 4.696 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3nccc(Br)c3[nH]2)cc1 587250029 FUHOHEFFBQKOMF-UHFFFAOYSA-N 365.234 4.637 0 1 FJAF CC(C)C(=O)CC[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359020 ZGIZCQWCIUTZJO-UNMCSNQZSA-N 370.420 4.654 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1Br)O2 587378276 UABYZIZBVSSFQA-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(-c3cccc(C(=O)O)c3)c1)O2 587406084 FKGZYAQSDMXPQS-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(O)cc4)s1)[C@@H](C2)C3=O 587448656 ATQYLAKOJILLNY-BTYIYWSLSA-N 364.422 4.618 0 1 FJAF O=C1C[C@H](c2cccc(C(F)(F)F)c2O)Oc2c1ccc1c2CCCC1 587505929 JAWXKDUSAXHQEF-QGZVFWFLSA-N 362.347 4.996 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cc[nH]c12 587590231 RYCNPVAOUSXGQQ-GCJKJVERSA-N 357.365 4.576 0 1 FJAF COc1cc(NC(=O)c2c(C)[nH]c3cc(F)ccc23)c(OC)cc1Cl 587633232 VZKSDSOMBYYARI-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1F 587722507 SAJVZVVPESDVPS-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2cccs2)(C2CC2)N1 587850913 GKFHEHBYGBLJIB-QGHHPUGFSA-N 366.299 4.838 0 1 FJAF Cc1ccc2c(c1)C(Cl)=C(Cn1cc(-c3ccccc3)nn1)CCO2 653766371 UCEBWWDIBURNFQ-UHFFFAOYSA-N 351.837 4.686 0 1 FJAF COc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1OC 653817182 UFFYQCHIRKHMQX-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF Clc1ccc([C@@]2(c3ccncc3)NCCc3cc(Cl)ccc32)cc1 963378488 FYSHAOPRNRIYLG-FQEVSTJZSA-N 355.268 4.826 0 1 FJAF O=C1N[C@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)ccc21 1857749531 AHQYQIFFRKVOHG-QGZVFWFLSA-N 363.467 4.879 0 1 FJAF COc1ccc([C@@H]2Oc3ccccc3CS2)cc1OC(=O)C(C)(C)C 2356283593 URVYWGKGORJHOM-GOSISDBHSA-N 358.459 4.971 0 1 FJAF CCCC[C@H]1CCCO[C@@](C(=O)NCc2ccccc2)(C(F)(F)F)C1 13829007 WQISHQJADNYWHN-YJBOKZPZSA-N 357.416 4.611 0 1 FJAF CCOC(=O)c1c(CCCCCCO[C@H]2CCCCO2)cccc1OC 71282168 RKWQBRPKSHYGGR-LJQANCHMSA-N 364.482 4.518 0 1 FJAF COC(=O)[C@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@@H]1C 101948870 UKJSXJBJJJWIHD-LIXBPZJASA-N 368.458 4.629 0 1 FJAF O=C(N1CCC2(CC1)OCc1ccccc12)N(CC1CC1)c1ccccc1 169341859 SBUIRONVGMZEBJ-UHFFFAOYSA-N 362.473 4.545 0 1 FJAF Nc1nc(-c2ccc(F)c(Cl)c2)c(-c2ccc3ncccc3n2)s1 263620948 QPTHMBUJLWRYEC-UHFFFAOYSA-N 356.813 4.795 0 1 FJAF in-vitro O=C(O)/C=C/c1ccccc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 586880735 RFNKHEIWGMYFOK-VMPITWQZSA-N 364.348 4.940 0 1 FJAF CCOC(=O)c1ccc2nc(COc3ccc(Cl)c(CC)c3)[nH]c2c1 587052951 VKRKBZMCHWSKOW-UHFFFAOYSA-N 358.825 4.534 0 1 FJAF CCCCOc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br 587089816 YVQIHGPIMZBTMG-UHFFFAOYSA-N 369.156 4.861 0 1 FJAF Cc1ccc(Cc2nc3c(Br)ccnc3[nH]2)cc1C(F)(F)F 587095463 ZZOZWQLYDBUEGX-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Cl)c1)(c1ccccn1)O2 587379050 RKSGHGLIDHCOSM-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(C=COc3ccc(Cl)cc31)CC2=O 587459540 FCJCICSHQHXWCB-HXUWFJFHSA-N 356.805 4.765 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CCCC(=O)O)(c1cccs1)CC2=O 587493862 IGACREGDFYCUCR-HXUWFJFHSA-N 374.458 4.522 0 1 FJAF O=C1C[C@@H](c2ccc(Cn3cccn3)cc2)Oc2c1ccc1c2CCCC1 587517293 KJTJYTGFXYDWFW-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF Cc1ccc(C[C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603467 OUCKLGCIVBYMRR-NFBKMPQASA-N 360.409 4.664 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(F)c2)N1 587730055 IGLGGEGHISIGHE-HUTHGQBESA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C2CC2)N1 587815451 NARVBDREJYKCJP-HXPMCKFVSA-N 360.270 4.776 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C\c2ccco2)N1 587830432 TUQQOFBPZQYCPT-KVRGNMQUSA-N 350.231 4.644 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(Br)cc1 587870090 YVOCKEUGZIHUOB-UHFFFAOYSA-N 361.214 4.840 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(C)c(Br)cc3[nH]2)c1 587930479 IPNKYCHPKZZAKV-LLVKDONJSA-N 359.267 4.989 0 1 FJAF O=C(O)c1c(NC(=S)Nc2cccc(Cl)c2)sc2c1CCCC2 653718776 BYBMTCRCRIMYNQ-UHFFFAOYSA-N 366.895 4.787 0 1 FJAF CN1C(=O)C[C@@H]2CN[C@@](c3ccsc3)(C3CCCCC3)c3cccc1c32 963020272 FAMLDADSYFPFAG-IVZQSRNASA-N 366.530 4.625 0 1 FJAF N[C@@H](c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl 61929035 GCRYBPRWBPKFMF-MRXNPFEDSA-N 367.865 4.531 0 3 FJAF O=C(Nc1ccccc1C(F)(F)F)O[C@@H]1C[C@H]2C[C@H]1[C@H]1CCCCN1C2 263590736 MMJXZDNFMKGFDK-DLTLXFJOSA-N 368.399 4.517 0 3 FJAF CCOc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1cccc(Cl)c1 3906816 HCGQFOIYNNZADP-KXBFYZLASA-N 358.825 4.508 0 1 FJAF CC(C)(C)c1cc(NC(=O)N[C@@H]2CCc3ccccc32)n(-c2ccccc2)n1 13474653 DPSYCGMSLWKDDR-LJQANCHMSA-N 374.488 4.979 0 1 FJAF CN1Cc2ccccc2[C@@](C)(c2ccccc2)N=C1C[C@@H](O)c1ccccc1 13600311 IQMYQKPHIUDPJW-ILBGXUMGSA-N 370.496 4.918 0 1 FJAF FC(F)(F)c1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1 28572312 NRQSTHBBOMUCMH-UHFFFAOYSA-N 355.323 4.578 0 1 FJAF Fc1ccc(CN[C@@H]2CC[C@H](C(c3ccccc3)c3ccccc3)NC2)cc1 38322608 KQGGYEZSINLKFH-DNQXCXABSA-N 374.503 4.868 0 1 FJAF Nc1cc(N)c2nc(-c3ccccc3)c(Sc3ccc(F)cc3)nc2c1 40939159 PIMCSCGGODKORC-UHFFFAOYSA-N 362.433 4.752 0 1 FJAF CCCCCn1c(CCC)nc2c(NCCc3cccc(F)c3)ncnc21 82179705 ZZHOKRQAURDPDU-UHFFFAOYSA-N 369.488 4.763 0 1 FJAF CC/C=C/[C@@H](CC)C/C(C)=C/[C@@](O)(CC)C[C@@](O)(/C=C/C(=O)O)CC 169370188 AVSPCYKDNIUSRR-LAJCXTANSA-N 352.515 4.628 0 1 FJAF Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(F)c(Cl)c3)c2n1 473146788 DHZXKIKFUUYZSP-UHFFFAOYSA-N 367.815 4.504 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc2c1 587066495 OQMZJJQFLVQYAJ-UHFFFAOYSA-N 365.820 4.769 0 1 FJAF Fc1cc(Br)c2[nH]c([C@@H]3Cc4cc(Cl)ccc4O3)nc2c1 587080829 PWDZLFLMKYCUFO-ZDUSSCGKSA-N 367.605 4.794 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCCO1)C4)-c1ccccc1C2=O 587100877 AWFVQWZGACCFKK-DEOSSOPVSA-N 355.437 4.793 0 1 FJAF Cc1cccc(NC(=O)Cc2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1C 587238923 IIXKUIWMAYEFSE-UHFFFAOYSA-N 365.330 4.519 0 1 FJAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2cc3c(cc2[nH]1)OCO3 587247939 YUJNYLTVABFXIC-UHFFFAOYSA-N 373.412 4.706 0 1 FJAF CC(C)(C)OC1CC2(C1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587352165 INWKDJFUDCUEGT-COFLGROHSA-N 370.420 4.607 0 1 FJAF Cc1ccc(Oc2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cn2)cc1 587394082 QHTHWSOCJWCAPX-HXUWFJFHSA-N 360.413 4.779 0 1 FJAF CC[C@@]1(c2ccc(Br)s2)CC(=O)c2cc(C)cc(N)c2O1 587409551 HXEUKQQMJWQCIQ-INIZCTEOSA-N 366.280 4.672 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(CC)cc31)CC2=O 587483280 FFWMAYGICZVUAO-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF O=C1C[C@]2(CCC[C@H](c3ncccc3O)C2)Oc2c1ccc1c2CCCC1 587518358 GNIUNXFPZAXKHU-QMHKHESXSA-N 363.457 4.728 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)c1 587604009 TYEYHDXXGJHNLR-OFNKIYASSA-N 360.409 4.886 0 1 FJAF CCc1c(-c2ccc(N)cc2)[nH]c2c1c(Br)cc1n[nH]cc12 587622483 BYOOLTWRJIHPML-UHFFFAOYSA-N 355.239 4.618 0 1 FJAF Cc1cc(F)ccc1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587725976 HCGRWQSCAHPRMH-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF Cc1ccccc1OC[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587800656 HHOQIPZTOHYQRS-SJKOYZFVSA-N 364.258 4.551 0 1 FJAF CSc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845254 DEDWDICWTUGTBP-AYVTZFPOSA-N 372.328 4.995 0 1 FJAF C[C@@H](Oc1cccc(Cl)c1)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873538 DCSQDXGVLPPCIB-SNVBAGLBSA-N 358.756 4.556 0 1 FJAF CCC[C@H](OC)[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831727 HSTMDMKYHAQQMC-GMAHTHKFSA-N 364.489 4.749 0 1 FJAF C[C@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4nccnc4c3)cc21 1857604860 AVBKOIKHCMUYHG-XMMPIXPASA-N 365.436 4.749 0 1 FJAF CCC[C@H](Nc1ccc2c(c1)N(C1CC1)[C@H](C)C(=O)N2C)c1ccccc1 1857745423 MKXAMXPDWRVKHM-UZLBHIALSA-N 363.505 4.974 0 1 FJAF CC[C@H](CO)Oc1cc(NCc2cccc(C)c2)c2ncn(C(C)C)c2c1 61949005 FOVHWQHAZMIYGZ-GOSISDBHSA-N 367.493 4.687 0 3 FJAF CCC[C@H](Nc1cncc(-c2ccc(O)c(OCC)c2)n1)c1cccnc1 43019036 OLZXISVOEOHHJE-KRWDZBQOSA-N 364.449 4.596 0 1 FJAF CN1CCC(Oc2ccc3cc(-c4cccc(Cl)c4)c(=O)oc3c2)CC1 84712783 WRGDPLWMFBSRFD-UHFFFAOYSA-N 369.848 4.586 0 1 FJAF Cc1c(Oc2ccc(F)cc2)c(OC(C)C)nn1-c1ccc(C2CC2)nn1 474608403 LICVQYHCXLVAHE-UHFFFAOYSA-N 368.412 4.567 0 1 FJAF Cc1nc(Br)sc1-c1nc2cccc(Br)c2[nH]1 587010875 IULZNIAZKRJRTE-UHFFFAOYSA-N 373.073 4.520 0 1 FJAF O[C@H](c1nc2ccc(OCc3ccccc3)cc2[nH]1)c1ccccc1Cl 587059254 MQIKCXGFPGHSOM-FQEVSTJZSA-N 364.832 4.877 0 1 FJAF CCOC(=O)[C@@H]1CCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587096817 HPFPKZGMPZMAEG-GOSISDBHSA-N 371.436 4.738 0 1 FJAF Fc1cncc(Cl)c1Cc1nc2ccc(OCc3ccccc3)cc2[nH]1 587176603 XLHVMLGFDGTKMS-UHFFFAOYSA-N 367.811 4.920 0 1 FJAF CCCCCOc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587257757 LBQWGLVDYJLAMN-OAHLLOKOSA-N 368.319 4.940 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(C(F)(F)F)c1)CC2=O 587462026 ONSFWSNCAFGKJN-QGZVFWFLSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1[nH]c3nccc-3c(Cl)c1F)CC2=O 587466819 MWCWRCGGBILYNA-AWEZNQCLSA-N 374.799 4.672 0 1 FJAF Cc1cc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1F 587557579 NMINLRYURBWZIL-DENIHFKCSA-N 364.372 4.717 0 1 FJAF Cc1ccc(C[C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587603471 OUCKLGCIVBYMRR-REWPJTCUSA-N 360.409 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ccncc23)N1 587779205 QWEXOWFOKLKZAV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3sccc32)N1 587856887 JIOHAOHCJDTOLU-BTDLBPIBSA-N 366.299 4.764 0 1 FJAF c1ccc(-c2cccc(Cc3nc4cc5c(cc4[nH]3)OCCCO5)c2)cc1 587960480 CTBXANFQSDQCCR-UHFFFAOYSA-N 356.425 4.982 0 1 FJAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@@]12NCCc1c2sc(C)c1C 963034278 YWTOWAPBTODHQW-YRISNDGFSA-N 363.567 4.876 0 1 FJAF COc1ncccc1-c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 1250531982 YPCVRWUUALRUTR-UHFFFAOYSA-N 356.381 4.671 0 1 FJAF FC1(F)CCN(Cc2ccc3n[nH]cc3c2)C[C@@H]1CCc1ccccc1 1772610263 NLIFSQQWHYOITJ-IBGZPJMESA-N 355.432 4.653 0 1 FJAF C[C@@H](O)c1ccc2c(-c3cccc(C(N)=S)c3)cn(CCC(F)F)c2c1 1857607525 FFNPACXCVWQWKN-GFCCVEGCSA-N 374.456 4.651 0 1 FJAF O=C1N[C@H]2SC(Cl)=C[C@H]2C(O)=C1c1cccc(Oc2ccccc2)c1 1857649934 KTLCGSSBJQEBJF-LIRRHRJNSA-N 371.845 4.647 0 1 FJAF COc1ccc2c(c1)CCCCC=C2c1cc(OC)c(OC)c(OC)c1 1857759706 ZLIOPTWCSQRISV-UHFFFAOYSA-N 354.446 4.879 0 1 FJAF CC[C@H](C)C[C@@H](c1[nH]c2ccccc2c1-c1ocnc1C(=O)O)N(C)C 2356307039 MNCZZIZVBMJVGE-WFASDCNBSA-N 355.438 4.560 0 1 FJAF Cc1cc(O)cc(Oc2cc(O)cc(C)c2[C@H]2OCc3cccc(O)c32)c1 2356787534 BLTBIJMGHJXIHW-JOCHJYFZSA-N 364.397 4.832 0 1 FJAF CCN1C(=O)c2ccccc2Sc2ccc(C(=O)NCCC(C)C)cc21 3061136 QGJQDMJMKOTMRX-UHFFFAOYSA-N 368.502 4.594 0 3 FJAF C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@@]2(O)C(F)(F)F 61946618 YRKBBIVQXKLUDP-YPQZYRTGSA-N 360.460 4.683 0 3 FJAF Cc1cc(CCCOc2c(C)cc(-c3cccc(CO)c3)cc2C)on1 3590519 DCAVLOPNTQJERQ-UHFFFAOYSA-N 351.446 4.771 0 1 FJAF Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@H]2N3C)c1 13740262 DCCIBUPSLSMHHL-KCLUMXDGSA-N 369.892 4.820 0 1 FJAF Brc1ccc2c(C3=NCCc4c3[nH]c3ccccc43)c[nH]c2c1 14517373 FQLDHLCPGIIQJH-UHFFFAOYSA-N 364.246 4.805 0 1 FJAF biogenic CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393669 YEULSAXOJYTLCB-SFTOWQTJSA-N 359.554 4.739 0 1 FJAF O=C(Nc1nnc(-c2ccc(C(F)(F)F)cc2)o1)c1cccc(Cl)c1 38933563 CWZFMXCLCVRMEH-UHFFFAOYSA-N 367.714 4.661 0 1 FJAF O=S(=O)(c1ccccc1)N1N=C2CCCC[C@H]2[C@@H]1c1ccc(Cl)cc1 43120954 RZDDIZYQUPEAAW-MJGOQNOKSA-N 374.893 4.632 0 1 FJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccc(OC)cc1 103232667 YCOLJFHHEARPIK-NRFANRHFSA-N 360.409 4.820 0 1 FJAF COc1ccc2c(c1O)CCCC(C)=C2c1cc(OC)c(OC)c(OC)c1 103247677 KZMRZXMNUUYBDH-UHFFFAOYSA-N 370.445 4.585 0 1 FJAF COc1nn(-c2ccccc2)c2cc(-c3ccc(-n4ccnc4)cc3)ccc12 164918880 WLWVEZQHEJYXEM-UHFFFAOYSA-N 366.424 4.887 0 1 FJAF O=c1c([C@@H]2C[C@H](c3ccncc3)ON2c2ccccc2)coc2ccccc12 169327143 BZVRFTIHIZALON-RBBKRZOGSA-N 370.408 4.812 0 1 FJAF CCC(=O)N[C@@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21 220259574 DTOSFEYVYLXLBV-QGZVFWFLSA-N 366.358 4.810 0 1 FJAF C[C@H]1CCO[C@H](c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)C1 586918001 ZLEAUZKCBPDRJK-MADCSZMMSA-N 363.177 4.832 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587066648 PSVOPRPTJRTRHJ-UHFFFAOYSA-N 363.852 4.756 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(CCO)cc4[nH]3)ccc2F)cc1 587139743 SXCRWWNWLWUXTR-UHFFFAOYSA-N 374.415 4.773 0 1 FJAF CC(C)[C@H](c1nc2cc(C(F)(F)F)cnc2[nH]1)N(C)C(=O)OC(C)(C)C 587197910 QAZTYVGAMGKZOV-GFCCVEGCSA-N 372.391 4.541 0 1 FJAF CC[C@]1(c2ccc(OCC(C)C)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399882 KUGFRJKUSAAFIU-JOCHJYFZSA-N 353.462 4.883 0 1 FJAF CCCCOc1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1F 587424664 RGYSOVLJIRUHEQ-VFNWGFHPSA-N 356.393 4.502 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc([C@H](C)N(C)C)c1)CC2=O 587467048 BWMVKJKRUANXLW-QKKBWIMNSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(S)[nH]c3ccccc13)CC2=O 587489468 CMKOTYCFQMPXJR-KRWDZBQOSA-N 353.443 4.821 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cccnc2c1 587589563 YFFJBSFNEBNIAO-NFBKMPQASA-N 369.376 4.643 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2F)N1 587718012 MECONJKJBPLNQA-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]3C=C[C@H]2CC3)N1 587817488 COOHOUGDHQCRDK-GZXOXEMDSA-N 364.302 4.940 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@@H]2c2ccccc2)N1 587817801 BCCRBRNUHNAANG-PEELUZDISA-N 360.270 4.895 0 1 FJAF Cc1ccc2c(c1)[C@@]1(C=CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587840235 XBIBCRRLZLXCBN-HXPMCKFVSA-N 374.253 4.581 0 1 FJAF CSc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587841534 BKGSIITXCFADBI-QGHHPUGFSA-N 366.299 4.934 0 1 FJAF Cc1csc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587844944 CQKHCSCFNQIOMJ-QLJPJBMISA-N 354.288 4.756 0 1 FJAF CN(C)CC[C@@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962659386 GLBGCFYQTJMTHV-SANMLTNESA-N 370.540 4.889 0 1 FJAF CCCCC[C@@H]1[C@H](CC(=O)OC)CC[C@]12NCCc1c2sc(C)c1C 963034274 YWTOWAPBTODHQW-CDXJDZJCSA-N 363.567 4.876 0 1 FJAF CCN(CC)CCC(=O)N[C@@H]1c2ccc(Cl)cc2Oc2c(C)cccc21 1635139 HDMNGWOXOWJJKZ-HXUWFJFHSA-N 372.896 4.692 0 1 FJAF CC(=O)Oc1ccc2cc(Oc3ccc(Cl)c(Cl)c3)c(=O)oc2c1 1647186 VZBDZQHMCCFYCF-UHFFFAOYSA-N 365.168 4.817 0 1 FJAF CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccccc12 3950141 PICPCIFZWHBKPD-UHFFFAOYSA-N 360.501 4.967 0 1 FJAF CCOC(C)(C)/C=C/c1c(OC)c2c(c3ccc(=O)oc13)OC(C)(C)C=C2 13374866 PZZWLFMEWDOQAF-ZRDIBKRKSA-N 370.445 4.814 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)C[C@H](OC(=O)CC(=O)O)C[C@]21C 14411028 GGTKOGAGTWFKDW-GEQKSPFYSA-N 372.505 4.837 0 1 FJAF biogenic CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccncc4)c3c2C)cc1 28754884 OANBTGKJHUJKGH-UHFFFAOYSA-N 373.460 4.883 0 1 FJAF C[C@@H]1N=C(S)N(Nc2cccc(Br)c2)[C@H]1c1ccccc1 29335559 IXLMOBLDCWHKDJ-XHDPSFHLSA-N 362.296 4.507 0 1 FJAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CCC2CCCC2)c1 43121417 KGARMPGARVQPAM-UHFFFAOYSA-N 370.493 4.649 0 1 FJAF CC(=O)Nc1ccc(/C=C2/C(C)=C(CC(=O)O)c3cc(F)ccc32)cc1 95590100 AZXHKCFPLYTROX-NVMNQCDNSA-N 351.377 4.587 0 1 FJAF COc1cccc(N2CCN(Cc3ccccc3-c3ccccc3)CC2)c1 96910222 WZFAVDDTRQICHQ-UHFFFAOYSA-N 358.485 4.684 0 1 FJAF C=CC(=O)Nc1cccc(-c2nc(Cl)ncc2Nc2ccccc2)c1 146967228 GKLLFBTZKAUWEN-UHFFFAOYSA-N 350.809 4.665 0 1 FJAF COc1cccc(OC)c1[C@@H]1CCC(=O)N1Cc1ccc2ccccc2c1 166602872 LLSMZDUNJOKSBC-IBGZPJMESA-N 361.441 4.721 0 1 FJAF C=Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 169343337 OGNCYQVDTHDTBS-UHFFFAOYSA-N 355.228 4.568 0 1 FJAF CCOc1nn(-c2ccc(C(F)(F)F)cn2)c(C)c1Cc1ccccc1 474609760 USZFAANRZXAQFU-UHFFFAOYSA-N 361.367 4.584 0 1 FJAF Cc1c(Br)cc2nc([C@@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1C 586887037 RVCWPOVPXUDDBE-FRRDWIJNSA-N 359.267 4.581 0 1 FJAF Oc1ccc(C2(c3nc4cccc(OCc5ccccc5)c4[nH]3)CC2)cc1 586897934 AJCGRKJADNTDIG-UHFFFAOYSA-N 356.425 4.927 0 1 FJAF COc1ccc2nc(-c3nc4c(Br)cccc4[nH]3)sc2c1 587035191 MZMCPISGFHXQCP-UHFFFAOYSA-N 360.236 4.611 0 1 FJAF Cc1n[nH]c(C)c1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097707 SDNCOFXIQGNJKL-UHFFFAOYSA-N 353.425 4.685 0 1 FJAF Fc1ccc(S)cc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587140149 CPURXFCGRMUJNX-UHFFFAOYSA-N 359.170 4.698 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587169923 FXMYHDRPIZCABZ-SECBINFHSA-N 366.364 4.919 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c(Br)cccc31)O2 587372767 REAYMQCXSQVHCL-IBGZPJMESA-N 372.262 4.537 0 1 FJAF CC[C@@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587379495 YLNZSBHPEPJBOM-YLJYHZDGSA-N 369.417 4.652 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c1ccc1ccccc31)O2 587407577 CSMCNGVGDSLQBU-QHCPKHFHSA-N 359.425 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4CC1(C)C)[C@@H](C2)C3=O 587424448 ZOTJRQPBABGKGE-HRAATJIYSA-N 354.833 4.574 0 1 FJAF CC[C@]1(c2cccc(F)c2)N[C@H](C)Cc2cc(Br)c(F)cc21 587727681 CBDSIZVHPOOLAI-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF CC[C@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587956780 WFGVMRJSXGEGRF-NSHDSACASA-N 363.870 4.531 0 1 FJAF C[C@]1(c2cnn(-c3ccccc3)c2)NCCc2cc(-c3ccccc3)ccc21 962663646 HCUCBKDSYLPHFV-RUZDIDTESA-N 365.480 4.949 0 1 FJAF Cc1cccc(-c2ccccc2[C@@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962935018 XGCXOTUCKABASV-DEOSSOPVSA-N 370.496 4.599 0 1 FJAF Cc1ccc([C@]2(c3ccccc3)c3ccc(F)cc3C[C@H]3CCCN32)nc1 963096412 NKYZFZXNZJNFAN-QPPBQGQZSA-N 358.460 4.842 0 1 FJAF CC[C@H](C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1C 1857571057 IDZDFDREDQTXFC-HTAPYJJXSA-N 361.489 4.703 0 1 FJAF CC(=O)CCCC(C)(C)C(=O)CCC(C)=CCC[C@@]1(C)CCC(=O)O1 2356785306 AABSRFLRNFXOQB-NRFANRHFSA-N 350.499 4.943 0 1 FJAF COc1cccc([C@@](C)(O)c2nc(-c3cc4ccccc4o3)cs2)c1 61896058 RGEXIMVHKWCYQK-HXUWFJFHSA-N 351.427 4.821 0 3 FJAF CC1(C)OC(=O)C2=C(C[C@@H](C3CCCC3)O[C@H]2c2ccc(Cl)cc2)O1 95569428 KLLWEDYBDVWHFX-YJBOKZPZSA-N 362.853 4.924 0 3 FJAF O=C(O)c1ccc2c(c1)[C@@H](SCc1cccnc1)c1ccccc1CO2 2012843 QPSJAHYNYKZLMW-FQEVSTJZSA-N 363.438 4.695 0 1 FJAF O=C1C[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)C(=O)N1c1ccccc1 5884626 QLIGVACFWXGFCQ-IBGZPJMESA-N 366.420 4.882 0 1 FJAF C=CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(O)c1 28564318 AMIKHGLBNXIPNJ-UHFFFAOYSA-N 374.396 4.561 0 1 FJAF CC(=O)c1ccc2oc(-c3coc4ccc(C(C)=O)c(O)c34)cc2c1O 28641476 OOMZWMYSDVPPNA-UHFFFAOYSA-N 350.326 4.662 0 1 FJAF CN1CCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc21 28972785 GHZMGTAOVOLKRX-UHFFFAOYSA-N 352.821 4.845 0 1 FJAF CCCc1c(Cl)c(=O)oc2c3c(c4c(c12)OCC(C)=C4)O[C@H](C)CC3=O 29133093 HSTQNOLFVZHWOD-SNVBAGLBSA-N 374.820 4.548 0 1 FJAF CC/C=C/[C@@H](CC)C/C(C)=C/[C@@](O)(CC)C[C@](O)(/C=C/C(=O)O)CC 33955048 AVSPCYKDNIUSRR-LYSUOXDISA-N 352.515 4.628 0 1 FJAF O=c1ccc2c(OCCCOc3ccc(F)cc3)c3ccoc3cc2o1 34640786 BFYXFUBEFMDHHQ-UHFFFAOYSA-N 354.333 4.526 0 1 FJAF C[C@@H](F)CCc1ccc(COc2cnn(C(C)(C)C)c(=O)c2Cl)cc1 40955979 MBOUAMRPAMORPE-CYBMUJFWSA-N 366.864 4.521 0 1 FJAF Oc1cccc(CCNCCCCCCNCCc2ccc(Cl)cc2)c1 45188569 FRTNYWKXSYFDME-UHFFFAOYSA-N 374.956 4.570 0 1 FJAF CCCCn1nc(C)c(Cl)c1C(=O)NCc1ccc(C(C)(C)C)cc1 103168863 PLRPLIIVMLORLA-UHFFFAOYSA-N 361.917 4.873 0 1 FJAF CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1F)c1ccccc1 103204999 AFBGPSWTEFOGDR-GOSISDBHSA-N 365.341 4.520 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(C)=O)CC[C@H]12 253859956 MEHJFIPYSWVCTE-LAAXVVMPSA-N 374.521 4.814 0 1 FJAF C=C=CS(=O)(=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@H]32)C1 299810106 HRSXVEFTZAQPAV-YBHNGBFFSA-N 374.546 4.600 0 1 FJAF COc1ccc(F)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989114 XFGPTKGUZDHSGO-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF COc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)ccc1O 586992152 PEBATRBYDKKGJD-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF Cc1ccc2c3c(cc(-c4ncc(C(=O)O)s4)nc13)-c1ccccc1C2=O 587101860 OCNSQPMAAAFVNY-UHFFFAOYSA-N 372.405 4.576 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(F)cnc3[nH]2)c(F)c1 587145049 RXRMYXCHVVWFSS-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1cccc(Cl)c1)O2 587376648 DRZRWQRKVDVGEU-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)c(C(F)(F)F)c1)O2 587381135 GOWBPUFGZBRHFC-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccccc1F)O2 587386276 VEJKQYANOAJMBF-HSZRJFAPSA-N 361.416 4.820 0 1 FJAF CCOc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587800342 FTIJJDSVHWSRBL-ADLMAVQZSA-N 364.258 4.611 0 1 FJAF CCOc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587803530 WXXSKMYMFPXPPD-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF CCc1cccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587816002 SHIKNFVHHDKDNN-HXPMCKFVSA-N 362.286 4.948 0 1 FJAF CC(C)=CCC/C(C)=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 587969220 WVEQLUIBCMRIGZ-QINSGFPZSA-N 363.465 4.772 0 1 FJAF COc1cccc(-n2c(/C=C/c3ccc(F)cc3)nc3ccccc3c2=O)c1 653889650 XFGRCMJRNBTUTK-SDNWHVSQSA-N 372.399 4.704 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC1OCCO1)C1CCCCC1 963223813 DFWAWNFIAIMZED-MBSDFSHPSA-N 357.538 4.882 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1[C@H]1CN(C)CC[C@H]12 963235745 RUWIOSWOBMVDFW-RZZQQNDFSA-N 360.545 4.636 0 1 FJAF c1ccc(CCCCOc2ccc(-c3cccc(-c4nn[nH]n4)c3)cc2)cc1 1772655565 NLFQWBIPTSKJEQ-UHFFFAOYSA-N 370.456 4.935 0 1 FJAF CO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@@H](C)N(C)C=O)=CC[C@H]32)C1 2356542133 UWFDYAWULNEXBD-GJLQDFBLSA-N 371.565 4.977 0 1 FJAF CC(C)=CCc1c(O)c2c(c3c1OC(=O)C[C@@H]3C(C)C)O[C@H](C)[C@@H](C)C2=O 2356670355 LNDUCGCDUQUPIH-UMVBOHGHSA-N 372.461 4.549 0 1 FJAF CC(C)NC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@@]13CC(=O)[C@@](C)(CC[C@@H]21)C3 36387905 CLZMLBSPTYKTNM-PZRBEPACSA-N 359.554 4.883 0 3 FJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(C(C)C)cc1 4049542 HXZLJCATZNHKNB-IFMALSPDSA-N 364.489 4.818 0 1 FJAF Cc1c(C)c2c(c(C)c1N)C[C@](C)(CNCCCCc1ccccc1)O2 13652115 TYRCEMWEJLDBAM-HSZRJFAPSA-N 352.522 4.500 0 1 FJAF CCN(CC)C(=O)/C=C(\C)c1ccc(O[C@@H](C)c2ccccc2)c(O)c1 13782708 GVNZUKKMSRZBOQ-ZQHZRZASSA-N 353.462 4.804 0 1 FJAF O=C1CN=C(c2ccccc2C(F)(F)F)c2cc(C(F)(F)F)ccc2N1 26576541 WHBRRDSQZPQDRO-UHFFFAOYSA-N 372.268 4.514 0 1 FJAF CCC(CC)c1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1 26832449 OOANXJFGKWCWIB-RTBURBONSA-N 373.468 4.654 0 1 FJAF Cc1ccc(CN2CCC(Nc3n[nH]c4ccc(Cl)cc34)CC2)cc1C 28529213 QECDJUCOUBGHIU-UHFFFAOYSA-N 368.912 4.910 0 1 FJAF NC(=S)Nc1cccc(OCCCCCOc2ccc(Cl)cc2)c1 40955577 RXLRFXLMONOCOT-UHFFFAOYSA-N 364.898 4.624 0 1 FJAF CC[C@@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)[C@H](C)C1 45302712 GLFWSJZORURSFC-IAGOWNOFSA-N 371.550 4.557 0 1 FJAF c1ccc([C@H]2ON=C(c3ccc(C4=NO[C@H](c5ccccc5)O4)cc3)O2)cc1 49033698 HSFOIUZEWJQHSN-FGZHOGPDSA-N 372.380 4.501 0 1 FJAF C[C@H](NC(=O)CCN1CCC(c2ccccc2)CC1)c1ccc(Cl)cc1 73221613 ZCKRXPGKUHMBHL-KRWDZBQOSA-N 370.924 4.787 0 1 FJAF Cc1ccc(OCc2nnc(SC3CCCC3)n2-c2cccnc2)cc1 95596451 LDXQMINQTYKHHC-UHFFFAOYSA-N 366.490 4.584 0 1 FJAF CCCOC1(OCCC)[C@H]2c3ccccc3[C@@H]([n+]3ccccc32)C1(C)C 100714856 FXQHUFQIJNCSSB-LEWJYISDSA-N 352.498 4.598 0 1 FJAF COc1ccc(N2O[C@H](CO)C[C@@H]2c2ccc(-c3ccccc3)cc2)cc1 169291153 LEVMIUWXDINKKO-XZOQPEGZSA-N 361.441 4.606 0 1 FJAF O=C1O[C@@]2(CCOc3ccccc32)CC(O)=C1Sc1ccccc1Cl 299822934 QYIRNSXQAVRKPI-IBGZPJMESA-N 374.845 4.827 0 1 FJAF CC(C)C1=C[C@@]23CC[C@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2C[C@H]1C[C@@H]3C(=O)O 299828064 GTKBCPWBKQIADM-VHPJMIEBSA-N 374.521 4.987 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)-c1ccc(Cl)nc1C3 586985466 DIIXBIJNQDJWPZ-UHFFFAOYSA-N 370.795 4.771 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)c(Cl)nc2[nH]1 587028670 ZQOCFSQYJKSYOO-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2c(F)cc(F)cc2[nH]1 587075460 DWVUTQPHCGSHQB-UHFFFAOYSA-N 357.747 4.929 0 1 FJAF Nc1ccc(-c2nc3cccc(Br)c3[nH]2)c(C(F)(F)F)c1 587095336 DUCXINUKLKFMNZ-UHFFFAOYSA-N 356.145 4.593 0 1 FJAF C[C@]12C[C@@H]1CCC[C@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354512 QWKXPSZLZBAHSN-GSXQUDMHSA-N 352.405 4.839 0 1 FJAF COC(=O)[C@H]1C=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362591 KISAPUPPQRKLGX-INIZCTEOSA-N 371.392 4.940 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1cc3ccccc3o1)O2 587392981 AFIZRASPOVFEQJ-QHCPKHFHSA-N 370.408 4.627 0 1 FJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1-c1ccccc1 587400662 RXNAUDLDBGKCRO-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF CCOc1cccc2cc([C@@]3(C)CC(=O)c4cc(C)cc(N)c4O3)oc12 587408012 GIMDGSYCMRWJQZ-OAQYLSRUSA-N 351.402 4.603 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)COC(C)(C)O3)CC2=O 587482983 PYZNKNMZNCQUGS-FQEVSTJZSA-N 368.429 4.696 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1nccc2ccccc12 587587223 LSUFYPNPELLFSW-AUSIDOKSSA-N 369.376 4.643 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(F)c(F)c(F)c2)N1 587720960 UPAMGDUYPHDAQL-HYORBCNSSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cccnc3c2)N1 587778415 MZCMDBMNLOHXHB-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CC(C)c1ccc(-c2nc(-c3ccc(NS(C)(=O)=O)cc3)cs2)cc1 587924354 UHBIDKCCKXNQSE-UHFFFAOYSA-N 372.515 4.972 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@@H]1c1nc2cccc(Br)c2[nH]1 587931116 QTHORYJRHWGEPK-KZULUSFZSA-N 357.251 4.779 0 1 FJAF N[C@@H]1CCc2c(Cl)cccc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962671862 XHHGKMDIKGBNBV-RPWUZVMVSA-N 374.915 4.670 0 1 FJAF NCc1cccc(-c2cccc(C(=O)N[C@@H]3CCCc4ccccc43)c2)c1 1857750209 ONRUCWPTBOHFGA-HSZRJFAPSA-N 356.469 4.620 0 1 FJAF CC1=C[C@H](CN(C)Cc2ccccc2)[C@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356316416 HZUFJHNPEQMTJR-VSKRKVRLSA-N 367.537 4.907 0 1 FJAF N[C@H](c1csc(Nc2ccc(C(F)(F)F)cn2)n1)C1CCCCC1 61908206 GGBWRHFKVKLPNQ-AWEZNQCLSA-N 356.417 4.881 0 3 FJAF Clc1nc(N2CCCCC2)nc(N(c2ccccc2)c2ccccc2)n1 3091975 BDMLSOBYYNBQHF-UHFFFAOYSA-N 365.868 4.985 0 1 FJAF biogenic CCc1nccc2c1[nH]c1c(Br)cc(Br)cc12 13379514 ZKHUMPXYARQUSA-UHFFFAOYSA-N 354.045 4.804 0 1 FJAF biogenic CC[C@@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)NC)c(C)[nH]c1=S 28346587 VTGGMDWMKREFKA-LBPRGKRZSA-N 358.294 4.520 0 1 FJAF c1ccc(C(c2ccccc2)n2cnc3c(-c4ccco4)ncnc32)cc1 28475570 KNHIKZPZVSVJHR-UHFFFAOYSA-N 352.397 4.724 0 1 FJAF CC[C@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)[C@H](C)C1(Cl)Cl 103296534 NEGUFQXRUXGZPR-IINYFYTJSA-N 368.226 4.584 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169369971 QOBHVCSONWIIQM-HGWJQVHFSA-N 371.565 4.857 0 1 FJAF CN1C[C@](O)(c2ccc(-c3ccc4ccccc4c3)cc2)O[C@@H]2CCCC[C@H]21 253951121 DSUFLXVZHYLIGK-UBFVSLLYSA-N 373.496 4.925 0 1 FJAF CC1(C)OC(=O)N([C@H]2CC[C@H](c3ccc(N)nc3)CC2)[C@H]1c1ccccc1 299846551 UJGMIJUNDOEIIP-QSFXBCCZSA-N 365.477 4.662 0 1 FJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3c(C(C)(C)C)cccc3[nH]2)cc1 586951263 VBEPEUWUUFKJDR-UHFFFAOYSA-N 371.506 4.678 0 1 FJAF CC(=O)OC1=C(C)c2nc3c(C)ccc4c3c(c2C1)-c1ccccc1C4=O 587099156 CBBAKIQFXXYUQF-UHFFFAOYSA-N 355.393 4.605 0 1 FJAF COC(=O)c1coc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587100881 IJSCGQKPVISTNL-UHFFFAOYSA-N 369.376 4.801 0 1 FJAF Cc1ccc2nc(/C=C/c3cccc(I)c3)[nH]c2c1 587183727 HRRFPXQNMRSVTA-SOFGYWHQSA-N 360.198 4.646 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCCc3ccccc3)cc1)O2 587400555 QVCYOAUMPGGEJW-HSZRJFAPSA-N 373.452 4.905 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(C)C)c(Cl)c1)[C@@H](C2)C3=O 587418716 ASELFPSUBALGFX-YCRPNKLZSA-N 372.848 4.799 0 1 FJAF COc1ccc(C[C@@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587504244 ICSWCUZPBQMTBZ-PEBXRYMYSA-N 368.448 4.926 0 1 FJAF CC1CCN(CC(C)(C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512386 CYBCLUSSQPZIEN-OAQYLSRUSA-N 355.522 4.657 0 1 FJAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C2CCCC2)n1 587516449 SUYQOPSNUQYTPF-NRFANRHFSA-N 350.462 4.892 0 1 FJAF C[C@@H](C[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587530488 VPYWLYYKDRAYHB-NPMXOYFQSA-N 364.441 4.537 0 1 FJAF Cc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc2c1 587586510 CNXPVPNSEXIUPL-REWPJTCUSA-N 371.392 4.885 0 1 FJAF CCc1c(-c2cn(CC)nc2C)[nH]c2c1c(Br)cc1n[nH]cc12 587623710 ZXVMSZZVDBVCTN-UHFFFAOYSA-N 372.270 4.561 0 1 FJAF O=C(Nc1ccccc1)c1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587637609 FCZGDRWKHORQGY-UHFFFAOYSA-N 356.381 4.785 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)F)c(C34CC5CC(CC(C5)C3)C4)[nH]c12 587638543 ZQZNENUWUMJXMT-UHFFFAOYSA-N 373.399 4.782 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1CCCCc1ccccn1 587660140 OCRWTXWGPPGPMS-UHFFFAOYSA-N 373.431 4.621 0 1 FJAF Cc1ccc(F)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587725386 CXOPWWMXHZTULT-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3c2CCC3)N1 587816691 ZZBDKWSGAHQSIY-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccco2)N1 587830002 SBPXAIGVKNROJQ-MCLOOOIOSA-N 350.231 4.644 0 1 FJAF CCNC(=O)Nc1cn(C2CCCCC2)c2cc(-c3cccnc3)cnc12 653747678 JNGPPHHIJZNFON-UHFFFAOYSA-N 363.465 4.745 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1ccc(CSC(F)F)o1 963108741 YDHYDLGESRTXPW-DYVFJYSZSA-N 353.409 4.984 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1[C@@H]1CN(C)CC[C@@H]12 963235752 RUWIOSWOBMVDFW-UQRMEHQUSA-N 360.545 4.636 0 1 FJAF COc1ccc2c(c1)CC[C@]1(CCCCN1CCCc1ccccc1)C2=O 1772583588 WUMJZYDDCKLLKU-XMMPIXPASA-N 363.501 4.682 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](Cc1ccc(Cl)cc1)C(=O)N2 1857749164 YLQYCDNFSWMVDY-SFHVURJKSA-N 368.820 4.554 0 1 FJAF Cc1ccc(C(=O)Nc2cc3nc(C4CCCC4)[nH]c3cc2N(C)C)cc1 2382219395 RELAVWHFDOOKBG-UHFFFAOYSA-N 362.477 4.847 0 1 FJAF CC(=O)Nc1cccc(-c2csc([C@@H](O)c3cccc(Cl)c3)n2)c1 61898886 HUHNURIQIXBJKF-KRWDZBQOSA-N 358.850 4.504 0 3 FJAF CC(C)N(C[C@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1)C(C)C 13436869 HXBMOXWVYIRYHK-OFNKIYASSA-N 350.506 4.961 0 1 FJAF CC(C)COc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@@H]23)cc1 25809830 TVPOHZDOAWMQLL-NQIIRXRSSA-N 359.510 4.533 0 1 FJAF biogenic Cc1ccc(Nc2nc(C)nc(NCc3ccc(C(F)(F)F)cc3)n2)cc1 27437426 WFQDGKJLTALPOU-UHFFFAOYSA-N 373.382 4.863 0 1 FJAF CCc1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(C)nc(N)c12 28655620 WIQFEYUNZMGQDJ-UHFFFAOYSA-N 353.278 4.869 0 1 FJAF C[C@H]1C[C@@H]2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 34801440 SYCPRHSKXPRURM-AWIOVSDLSA-N 359.554 4.645 0 1 FJAF C/C=C/CNc1cccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)c1 40865085 OYWHKYCCBRRFRJ-NSCUHMNNSA-N 374.469 4.677 0 1 FJAF OCCn1nnc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1 103208845 AALMJYRTAANXKZ-UHFFFAOYSA-N 368.651 4.565 0 1 FJAF CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@@H](c3cccnc3)C2=C(O)C1 104702146 YHAMGIPDIPLTDA-IBGZPJMESA-N 371.444 4.648 0 1 FJAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc3ncsc3c2)n1 141810818 HINNGMMCGIRPDK-MRXNPFEDSA-N 374.469 4.997 0 1 FJAF O[C@H](C[C@@H]1CCCCN1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334823 YRDGFJXTCBQLJX-HTAPYJJXSA-N 368.427 4.746 0 1 FJAF CCc1ccccc1-n1nc(-c2ccc3ccccc3c2)c2c(N)ncnc21 169702797 DPWJXHNVOYKLOL-UHFFFAOYSA-N 365.440 4.780 0 1 FJAF COCCNc1nc(/C=C/c2ccc(Cl)cc2)nc2ccc(C)cc12 299868195 REGVREWPSYPXNE-UXBLZVDNSA-N 353.853 4.820 0 1 FJAF Cc1ccc2[nH]c(-c3cccn3-c3ccc(Br)cc3C)nc2n1 586981820 UMJPOHMDEITJPW-UHFFFAOYSA-N 367.250 4.795 0 1 FJAF Cc1ccc(-c2nc(-c3nc4ccc([C@H](N)N=O)cc4[nH]3)c(C)s2)cc1 587013345 LGZDMHDRCRLWIW-QGZVFWFLSA-N 363.446 4.694 0 1 FJAF Cc1nc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1Br 587024222 ZBJQRSSXHKSDRZ-UHFFFAOYSA-N 371.263 4.819 0 1 FJAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)cc2F)c1 587143274 PIHLUUMKGKTTRN-UHFFFAOYSA-N 368.799 4.506 0 1 FJAF O=C(/C=C/c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587167549 UWIDLXRIYNVKMZ-AATRIKPKSA-N 367.277 4.512 0 1 FJAF COC(=O)[C@@H]1C=Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362592 KISAPUPPQRKLGX-MRXNPFEDSA-N 371.392 4.940 0 1 FJAF CCc1cc(CC)c([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(CC)c1 587446417 WOFUQHUKQJYKIC-JPYJTQIMSA-N 350.458 4.871 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC(F)F)c1 587508999 VLQOAEUJPDIIOI-LJQANCHMSA-N 374.383 4.882 0 1 FJAF CC[C@@]1(c2ccc(OC)c(OC)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587526254 SCYJGSUGSJCIML-QHCPKHFHSA-N 366.457 4.853 0 1 FJAF CCOC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)oc1C 587529359 AKGGPSXVRRRWNT-JOCHJYFZSA-N 368.429 4.524 0 1 FJAF CC(=O)OCc1csc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531445 KGVSWYWNKNAVDI-OAQYLSRUSA-N 370.470 4.571 0 1 FJAF Clc1cc(Br)cc2nc(CCOCc3ccccc3)[nH]c12 587566008 PMFRNKRBZFFEEO-UHFFFAOYSA-N 365.658 4.738 0 1 FJAF [C-]#[N+]c1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587575066 IACFAIPWIOFYBG-SIKLNZKXSA-N 357.365 4.820 0 1 FJAF CC[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604860 ZNNHWWVVWUXCFJ-REWPJTCUSA-N 360.409 4.968 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCC(F)(F)F)N1 587710003 PVIMWWFRHPAXPL-AMIZOPFISA-N 354.185 4.680 0 1 FJAF COC1([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCCC1 587814004 XLOSFVCSMLVOBD-BZNIZROVSA-N 356.279 4.513 0 1 FJAF C[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587818356 QWSGEFPANYPBJX-AVCJSFLBSA-N 360.270 4.873 0 1 FJAF COC(=O)c1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1OC 587959824 WNDFJUVNFDIXHM-UHFFFAOYSA-N 372.424 4.616 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1cc(C)cc(F)c1 963227392 JFASNINSCIUYNX-HXOBKFHXSA-N 369.480 4.597 0 1 FJAF O=C1NCc2ccccc2[C@@H]2OC(c3ccccc3)=C[C@]12Cc1ccccc1 1857613368 SRYCMXMCXJBJLG-ZCYQVOJMSA-N 367.448 4.658 0 1 FJAF Cc1nc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c(C)c(C)c1O 1857643969 CXHASZUYYXJCFN-UHFFFAOYSA-N 356.278 4.828 0 1 FJAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@H](O)[C@@]4(C)[C@@H]5C(=CC[C@@H]4[C@H]3CC[C@H]12)CO[C@@H]5O 2356317373 KWFVQHWNVZGEIL-ZDIWFXRNSA-N 374.565 4.527 0 1 FJAF CC(=O)Nc1cc(-c2ccccc2N(C)C)cn2c(-c3ccccc3)cnc12 61905454 AHAQUYPPTMSFOL-UHFFFAOYSA-N 370.456 4.693 0 3 FJAF O=C(c1ccccc1)[C@H]1Nc2ccc(Cl)cc2[C@H]2c3ccccc3O[C@@H]12 5810604 YJCAMRNHQWFCNL-KCZVDYSFSA-N 361.828 4.910 0 1 FJAF Cn1c2c(c3cc(Cl)ccc31)CN(CCCOc1ccc(F)cc1)CC2 13476843 BCQBDOPTUDKMGI-UHFFFAOYSA-N 372.871 4.798 0 1 FJAF C[C@@]1(COC(=O)Nc2ccc(F)cc2)OC(=O)Nc2ccc(Cl)cc21 45255187 ARQXNSIYPYSEPY-KRWDZBQOSA-N 364.760 4.505 0 1 FJAF C[C@@]1(c2ccccc2)C(=O)C(c2ccccc2)=Nc2nc3ccccc3n21 66099668 ICUXUYGSBDNRSG-HSZRJFAPSA-N 351.409 4.503 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(OCCN3CCCC3)cc2)cc1 71330114 FCWXIFIYEQGEEH-UHFFFAOYSA-N 351.368 4.972 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CO[C@@H](C2)O3)cc1 100380874 KOFCNZPCQOBXHD-TZIWHRDSSA-N 353.418 4.817 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccsc1)C2 101152338 NNUZSHSDIMQZLW-SCAQPMJSSA-N 362.520 4.578 0 1 FJAF O=C1NN=C2C=C(c3ccc(Cl)cc3)C[C@@H](c3cccc(Cl)c3)[C@H]12 102938135 NEFBVFIRHDIGMR-WMZOPIPTSA-N 357.240 4.666 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)NCC[C@@]43C)C1=CC=C2c1cccnc1 169232423 OAQXGGFBEGPGCG-INDWIESVSA-N 360.501 4.684 0 1 FJAF COc1cccc(-c2cccc([C@@H](CC(=O)O)c3nccs3)c2)c1F 221112523 JLJFUBVZIJYRCT-OAHLLOKOSA-N 357.406 4.564 0 1 FJAF Cc1ccc(-n2nc(OC(C)C)c(Oc3c(F)cccc3F)c2C)cn1 473110536 WTRCVCGWSKLSMV-UHFFFAOYSA-N 359.376 4.742 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4ccc(C)c(C)c4[nH]3)n2C)cc1 586965581 MBTKNINYTZYXIW-UHFFFAOYSA-N 363.490 4.576 0 1 FJAF CC[C@@H](C)[C@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989584 BVMNMASEVZXDPG-MLGOLLRUSA-N 371.436 4.797 0 1 FJAF COc1ccc2nc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)sc2c1 587034497 GTJPYKYKGMUICL-UHFFFAOYSA-N 351.218 4.550 0 1 FJAF COc1cnc(-c2nc3c(Cl)cc(C(F)(F)F)cc3[nH]2)cc1Cl 587065271 XBHIYKINNZYPQU-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF Cc1cc(Br)c2[nH]c(C3(c4cccc(Cl)n4)CC3)nc2c1 587084522 OKLFDTBJJXLPDK-UHFFFAOYSA-N 362.658 4.762 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587113853 OBNZUOBGYSUBKU-NSHDSACASA-N 373.378 4.813 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587171904 UYTHDXPHPLTVFS-GFCCVEGCSA-N 358.438 4.759 0 1 FJAF O=C(c1ccccc1)N1CC[C@H]2c3c(nc4cccc5c4c3CC5)C=C[C@@H]2C1 587212329 NJNTYMOTUWTVEL-RTBURBONSA-N 366.464 4.606 0 1 FJAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)nccc21 587499285 LUTREFLONXKGDG-GOSISDBHSA-N 366.848 4.812 0 1 FJAF COC(OC)c1ccc(F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504404 JNNVPTUDSLOBRC-HXUWFJFHSA-N 370.420 4.702 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCc1ccccc12 587601978 GLIZDXSAZRPALQ-REWPJTCUSA-N 358.393 4.586 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2occc12 587618562 USYGEEFHEHGQQH-UGKGYDQZSA-N 358.349 4.841 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587814977 XHIOODGWOXUXKN-FEMPBKKVSA-N 370.306 4.589 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587820128 YALPUBSVEJDAEK-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF CSc1cccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587843821 JLKJMWZKKNIKSB-QGHHPUGFSA-N 366.299 4.934 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(Cl)c2)N1 587846837 IOICNAWGUUYBLY-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF CSc1ccccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587847643 UZEFOKCUIQLUTD-QGHHPUGFSA-N 366.299 4.934 0 1 FJAF C[C@]1(COc2ccc(F)cc2)c2ccsc2CCN1Cc1ccco1 962707793 OPMJYBLCMCYSPE-FQEVSTJZSA-N 357.450 4.833 0 1 FJAF Cc1cccc([C@]2(C3CCCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c1 963019743 FJDGIZNLZXIQBJ-CJAUYULYSA-N 374.528 4.872 0 1 FJAF O=c1oc2ccccc2c2c1c(Cc1ccccc1)nn2Cc1ccccc1 1857634389 UBIDKICMKAZKQA-UHFFFAOYSA-N 366.420 4.782 0 1 FJAF CC1(C)Oc2cc(O)c(C(=O)c3ccccc3)c3c2[C@@H]2C[C@@](C)(CC[C@@H]21)O3 2356679030 CZTBXYXCAPRLOV-HUYGQZFBSA-N 364.441 4.829 0 1 FJAF CC[C@H](C)Sc1nc(Cc2c(Cl)cccc2Cl)c(C)c(=O)[nH]1 13556531 BSMBUEWDJYQNBV-VIFPVBQESA-N 357.306 4.867 0 1 FJAF C=CC1=C(C)[C@@H]2CC[C@H]3[C@@](C)(CCC[C@@]3(COC(C)=O)C(=O)O)[C@@H]2CC1 14445457 MMAYUYRWDRFNKQ-AINOVGTFSA-N 360.494 4.749 0 1 FJAF biogenic CC(=O)OCC1=CCC[C@@H]2[C@]1(C)CC[C@@H](C)[C@]2(C)CCC1=CCOC1=O 14446657 HDXWELYONRXJIT-MBKCZMESSA-N 360.494 4.592 0 1 FJAF biogenic CCN1CCN([C@H]2Cc3ccccc3Sc3ccc(Cl)cc32)CC1 19802382 XHQHCGIOFLGRDM-SFHVURJKSA-N 358.938 4.726 0 1 FJAF Nc1nc(Nc2ccc(Cl)cc2)c2cc(CCc3ccccc3)[nH]c2n1 40939783 ATKPRIDFHGQMAQ-UHFFFAOYSA-N 363.852 4.722 0 1 FJAF CC[C@@H](C)[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112146 UJPKDQKXBREQBZ-XLFHBGCDSA-N 356.249 4.764 0 1 FJAF Cc1ccsc1C(=O)[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 55242426 FPOOMVFHNMXJEP-QGZVFWFLSA-N 350.487 4.700 0 1 FJAF CCOC(=O)c1nsc(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)n1 66259079 GWJBWQASKHYWNH-UHFFFAOYSA-N 362.495 4.682 0 1 FJAF COc1ccc(C2=NN[C@H](c3ccc4c(c3)c3ccccc3n4C)C2)cc1 84726653 WOCZLCAGLJMDAP-NRFANRHFSA-N 355.441 4.779 0 1 FJAF Clc1cccc(N2CCN(Cc3c[nH]c4ccccc34)CC2)c1Cl 96283194 SVSNQBMLUDOWHS-UHFFFAOYSA-N 360.288 4.797 0 1 FJAF CCCOc1ccc2c(c1)C(C)(C)Oc1cc3oc(=O)cc(O)c3cc1-2 169318464 WAQWDPSWSODYBC-UHFFFAOYSA-N 352.386 4.582 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169322133 YEULSAXOJYTLCB-MHZGIAPASA-N 359.554 4.739 0 1 FJAF CSCCCNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 216333244 ARESFPSXBXTFOM-UHFFFAOYSA-N 366.494 4.524 0 1 FJAF Cc1cc(Br)c2[nH]c(Cc3csc(-c4ccco4)n3)nc2c1 587017420 LPGICYBZXJCUDB-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cccc(Br)c2[nH]1 587026560 FUDSMGFGTUECCV-UHFFFAOYSA-N 374.263 4.941 0 1 FJAF N[C@@H](c1ccsc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587028401 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587467769 RNRSMVCVEUKFIM-INIZCTEOSA-N 350.773 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(COc1c(C)cccc1C)CC2=O 587484594 SOLIPDFKBQOXOQ-QFIPXVFZSA-N 354.446 4.764 0 1 FJAF C[C@@]1(c2ncccc2C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587505898 IXYOBEQOLRGGKT-IBGZPJMESA-N 361.363 4.860 0 1 FJAF O=C1C[C@@H](c2ccccc2CN2CCCC2)Oc2c1ccc1c2CCCC1 587513636 KIKGXKDMYYMAOT-QHCPKHFHSA-N 361.485 4.868 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)c(F)c1 587554661 MLPKXTUIPRFYJB-XLIONFOSSA-N 370.763 4.888 0 1 FJAF COC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(Cl)c(F)cc12 587628106 HQFGTZPMICXLEW-UHFFFAOYSA-N 352.192 4.996 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CS[C@@H](C(C)(C)C)C2)N1 587854181 BRFCCUBFRFCIID-JUKMUDQWSA-N 372.347 4.869 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)C2(N1)[C@H]1CCC[C@H]2CN(C(C)(C)C)C1 962944246 HKYJGZZPBXGMFD-OKZBNKHCSA-N 365.565 4.818 0 1 FJAF CC(C)CNC(=O)C=CC=CCCCC=CCc1ccc2c(c1)OCO2 2356460207 NBFXSGACKULILT-UHFFFAOYSA-N 355.478 4.569 0 1 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1ccc(O)cc1C 2011795 MPXLXGYFXOQLDG-UHFFFAOYSA-N 350.418 4.984 0 1 FJAF COc1ccccc1CNc1nc(-c2c(C)noc2C)nc2ccccc12 4266315 PXEZALBLYXTSCR-UHFFFAOYSA-N 360.417 4.522 0 1 FJAF CCC[C@H](CC)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576230 UMCMCYKHVWJOKE-MGPUTAFESA-N 366.461 4.870 0 1 FJAF CCC(=O)[C@H](c1cccc(OC)c1)C1CCN(CCc2ccccc2)CC1 27859729 MIPBKFYQQWZSDG-DEOSSOPVSA-N 365.517 4.713 0 1 FJAF CCCC[C@@H](NC(=O)c1snnc1C1CC1)c1c(F)cccc1Cl 28956914 WIUSUSYCZBSTJD-CYBMUJFWSA-N 367.877 4.869 0 1 FJAF CCCc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(Cl)c2)cc1 29417100 HYEKFKWYQOWHGI-UHFFFAOYSA-N 358.290 4.771 0 1 FJAF Nc1nc2cc3c(cc2s1)C[C@@H]1[C@H]2CCCC[C@]32CCN1CC1CCC1 29557939 HEIQNYAVPBPIJD-ZWDAVXSWSA-N 367.562 4.737 0 1 FJAF CN1CCC[C@@H](n2ccc3ccc(NC(=N)c4cccs4)cc32)CC1 34805725 ZDRRFCLOXPSOGC-QGZVFWFLSA-N 352.507 4.797 0 1 FJAF COc1ccc2c(c1O)CCCCC=C2c1cc(OC)c(OC)c(OC)c1 34851668 FYIHJYIFERMRQP-UHFFFAOYSA-N 370.445 4.585 0 1 FJAF O=C(CCc1ccc(-c2cccc(F)c2)cc1)Nc1ccccc1C(=O)O 35814282 XIYJXWCSPRMSRY-UHFFFAOYSA-N 363.388 4.762 0 1 FJAF Cc1cccc(-c2nc(CN3CCN(c4cccc(C)c4C)CC3)co2)c1 72183056 PHFHXVGNQONZMB-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3cccs3)ncnc21 82178836 LGOTWVDDMSQGGU-AWEZNQCLSA-N 357.527 4.745 0 1 FJAF Oc1cccc([C@]23CCN(CC4CC4)[C@@H](Cc4[nH]c5ccccc5c42)C3)c1 100725741 JUOSJPCGOWDYLK-MHECFPHRSA-N 358.485 4.590 0 1 FJAF Clc1ccc2c(NCCNC34CC5CC(CC(C5)C3)C4)ccnc2c1 169347532 AQECUSJOTVBGPK-UHFFFAOYSA-N 355.913 4.859 0 1 FJAF CCCCN1C/C(=C\c2ccccc2)C2=NN(C)[C@H](c3ccccc3)[C@@H]2C1 299848882 OKPRNKRSEPOPFL-ZSIKVAHZSA-N 359.517 4.845 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(C(F)(F)F)cc(Cl)c3[nH]1)C2 586888717 XQDWKPWKVJITFN-GUBZILKMSA-N 354.759 4.874 0 1 FJAF COc1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)ccc1Br 586978191 YUJMDVBKUBHTIC-HYXAFXHYSA-N 364.630 4.553 0 1 FJAF O=C(O)c1cc2nc(/C=C\c3cccc(Cl)c3Cl)[nH]c2cc1F 587053576 FVFIYCHTCMTLOD-PLNGDYQASA-N 351.164 4.877 0 1 FJAF Clc1ncc2[nH]c(-c3ccc(COc4ccccc4Cl)cc3)nc2n1 587063458 NKUUKZPCYVXELC-UHFFFAOYSA-N 371.227 4.906 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)c1 587159982 AKDZBTXQHCSOKK-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF C[C@@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338646 XXFNJCLSVVYXHM-UNMCSNQZSA-N 366.363 4.945 0 1 FJAF C[C@@]1(c2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372100 DVAJKQNRVGIYII-QUCCMNQESA-N 354.402 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(F)cc1C(F)(F)F)O2 587381408 IKLKVZONSDEQTP-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587423238 UGLLRCGXXCBXKL-IFXJQAMLSA-N 363.240 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nn(C)c3cccc(Cl)c13)CC2=O 587462461 QIBUHGWFZJQOOZ-QGZVFWFLSA-N 370.836 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(O)ccc(Cl)c1F)CC2=O 587465628 GDIYAMUFJCWZHM-HNNXBMFYSA-N 350.773 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CCc1cccc(N)c1)(C(C)C)CC2=O 587472936 OQQHJHQHLNMAOU-HSZRJFAPSA-N 367.489 4.920 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@H]1N1CCCCCC1)CC2=O 587474839 KKRUTYAFJXADLQ-FYYLOGMGSA-N 371.521 4.867 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(Br)s1)CC2=O 587495106 PAGFQPFRVJWICW-CYBMUJFWSA-N 367.264 4.875 0 1 FJAF Cc1cccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587528218 YBCJKBDVGSJBPW-NRFANRHFSA-N 358.441 4.970 0 1 FJAF CC[C@]1(c2cccc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569715 IZEZQORIXIPECE-DENIHFKCSA-N 364.372 4.798 0 1 FJAF O=c1oc2ccccc2cc1[C@@H](c1ccccc1)n1cnc2ccccc21 1911572071 KNYLVFGKKWNGPB-JOCHJYFZSA-N 352.393 4.780 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](C(=O)O)CC[C@H]32)C1 2356708516 SCNWNOJSZNDWCA-DOCRHMGXSA-N 362.510 4.662 0 1 FJAF Cn1cc(CN2CCC[C@@H](C(=O)c3cc(F)ccc3F)C2)c2ccccc21 11666534 JFECUBGECCGCST-OAHLLOKOSA-N 368.427 4.551 0 3 FJAF CC(C)N(C[C@@H]1C[C@H]2c3ccccc3Cc3ccccc3N2O1)C(C)C 13436863 HXBMOXWVYIRYHK-REWPJTCUSA-N 350.506 4.961 0 1 FJAF CC(=O)OC[C@@]1(C)CC[C@@H](C(C)C)/C=C/[C@](C)(O)CC/C=C(\C)CC1=O 14691261 BHSGVCGSYDQSIG-WTHLIIFUSA-N 364.526 4.615 0 1 FJAF CC1(C)CC(=O)[C@@H]2C(=Nc3cc4c(cc3[C@H]2c2ccc(F)cc2)OCO4)C1 17525788 SCZNBUSACJWPPT-RTWAWAEBSA-N 365.404 4.778 0 1 FJAF Clc1ccc(Cl)c(CO[C@@H](CCn2cncn2)c2ccco2)c1 71329386 XBFWVDLORQIIRU-INIZCTEOSA-N 352.221 4.526 0 1 FJAF CC[C@H](C)N(C)C(=O)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 84672513 WFZDCLVGIXNMEP-ZDUSSCGKSA-N 353.853 4.821 0 1 FJAF CO[C@H]1C[C@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 100878446 BLHLYSLDSMMWFB-TWGBQZSLSA-N 371.908 4.696 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)[C@H](C)C1(Cl)Cl 103272521 MWDQYFKQDWNBMC-XPTSAGLGSA-N 369.119 4.872 0 1 FJAF CC(C)(C)[C@]1(O)CCN2C[C@H]3Cc4ccccc4Cc4cccc(c43)[C@H]2C1 169337512 DAVHTUSZZYGLKT-LFAGZIFBSA-N 361.529 4.845 0 1 FJAF COc1cccc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1 218349261 CKKHWILHMSLUMZ-OAQYLSRUSA-N 357.413 4.608 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586962120 OOXXWTUHNBSEGW-SSDOTTSWSA-N 358.776 4.878 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4nccc(C)c4[nH]3)cc2)n1 587021537 NHQNZEIHJORNIN-UHFFFAOYSA-N 352.488 4.991 0 1 FJAF FC(F)(F)c1ncc2nc([C@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 587050063 OKGUSNNSPSENTB-RQJHMYQMSA-N 373.165 4.901 0 1 FJAF COc1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cc1Cl 587068256 NSYMSKQDKPUJFJ-UHFFFAOYSA-N 359.216 4.935 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)C[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587100565 CXZXPKROAHIXKT-QWHCGFSZSA-N 357.409 4.505 0 1 FJAF COc1ccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c(F)c1 587148599 KSFKCCBKCPEQFH-UHFFFAOYSA-N 369.621 4.717 0 1 FJAF COc1cccc(-c2cc([C@H](C)NC(C)=O)nc3c2oc2ccccc23)c1 587359795 HZSZVMGHGWVZLJ-ZDUSSCGKSA-N 360.413 4.854 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(C)[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O 587419352 DTOGDBIEGPKWDR-RBZFPXEDSA-N 353.805 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(Cc1nc3ccccc3s1)CC2=O 587496748 TYVSCVZTZJNYAW-OAQYLSRUSA-N 367.470 4.921 0 1 FJAF COc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523212 HIIBWDNVEBFLMB-OAQYLSRUSA-N 374.440 4.671 0 1 FJAF CC1(C)OCc2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O1 587536212 RYRVBUCHZCTWTN-OAQYLSRUSA-N 364.441 4.917 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=CC=CC=C2Cl)N1 587704888 KXNNMYDSIVBFSC-QFYYESIMSA-N 354.650 4.566 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725538 QUZKEUGYPVMSAX-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF COc1ccc(C)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807180 KBPSBNZIVNEZOG-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF CC(C)O[C@H]1C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813407 VLELGBIMFFAOBS-VZSAFFHGSA-N 370.306 4.541 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]3CC[C@@H]2C3)N1 587819135 LJLAMZPFVKMURF-FYMKNAMNSA-N 352.291 4.774 0 1 FJAF Cc1cc(O)cc(C)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587833184 MCYOOOWUGGGRFL-ZMZPIMSZSA-N 364.258 4.534 0 1 FJAF CCCCCCC(=O)Nc1ccccc1[C@@]1(C)NCCc2c(C)ccnc21 963067748 AJIUKAXQIBFNRZ-HSZRJFAPSA-N 365.521 4.708 0 1 FJAF Cc1ccc(COc2cccc([C@@H]3NCCc4c(C(=O)O)cccc43)c2)cc1 963131923 POBLMESFRVZYCE-QHCPKHFHSA-N 373.452 4.507 0 1 FJAF CC1=C[C@H](CNCc2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(C)o1 2356300646 KUXFBARQZQRLPZ-ZVDOUQERSA-N 371.500 4.704 0 1 FJAF CN1C[C@@H]2CC[C@@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23C1 2356379152 JTQMMTMDFJMALN-JHHQKPEOSA-N 356.598 4.811 0 1 FJAF CC(=CCCc1ccoc1)CC(=O)C[C@]1(C)CC[C@@H]([C@]2(C)CCC(=O)O2)O1 2356450079 HSIIPIZSJWLXTE-BVSLBCMMSA-N 374.477 4.541 0 1 FJAF COc1ccc2nc(C)cc(OCc3cccc(Br)c3)c2c1 2382224766 ZMRZALLYOZGDAC-UHFFFAOYSA-N 358.235 4.893 0 1 FJAF COC(=O)c1c(/C=C/c2cccs2)cc(OC)c(CC=C(C)C)c1O 2382232960 WFQYCNWIBWEMEK-CMDGGOBGSA-N 358.459 4.928 0 1 FJAF CCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(Cl)cc2)CC1 40503953 UMQIMQWQFGSUNK-UHFFFAOYSA-N 365.908 4.647 0 1 FJAF COc1cc2nc(NC(C)C)nc(NC3CCCCCC3)c2cc1OC 40845211 VICVDWQWWKXKJE-UHFFFAOYSA-N 358.486 4.602 0 1 FJAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1cccs1 40874364 UHDSFXXFBWVOSR-UHFFFAOYSA-N 370.437 4.888 0 1 FJAF N[C@@H]1CC2(N3CCCCC3)C[C@@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40874890 RYSREWLCUBCLSN-IBPNWZQXSA-N 360.545 4.920 0 1 FJAF Cc1nnc(-c2ccc3occ(-c4ccc([S@@](C)=O)cc4)c3c2)s1 45283741 PHTBTRWABMBCBU-DEOSSOPVSA-N 354.456 4.664 0 1 FJAF CN(C)CC[C@H](O)C=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1 45302205 KWWVFVUAQBXNGB-SFHVURJKSA-N 350.289 4.738 0 1 FJAF CC(=O)SCC[C@H](CCCCC(=O)Nc1ccccc1)SC(C)=O 49069460 WLSJHTFWYACOEA-KRWDZBQOSA-N 367.536 4.504 0 1 FJAF Cc1cccc(NC(=O)c2cncc(-c3ccc(OC(F)(F)F)cc3)n2)c1 64447498 VSWFPIQYOVAVEO-UHFFFAOYSA-N 373.334 4.603 0 1 FJAF COc1cc2c(cc1[C@@H](C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2 96932042 QTTFZKVHOYSYCT-SIFUEBAJSA-N 363.457 4.770 0 1 FJAF CS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1 103172018 VTDFZODTERQBTH-UHFFFAOYSA-N 374.465 4.814 0 1 FJAF O=c1oc(COc2ccc(Cl)cc2Cl)nc2cc(Cl)ccc12 103180998 SXSRWSGICKZYNW-UHFFFAOYSA-N 356.592 4.727 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)O[C@H](c3ccccc3)[C@@H]2C)n1)c1ccccc1 221120062 SQROIPJYQITCDT-FTRWYGJKSA-N 374.444 4.736 0 1 FJAF C[C@@H]1CNC(=O)c2cc(-c3cccc4ccc(Oc5ccccc5)nc34)[nH]c21 222352929 JLBPJFGCWQRFTF-CQSZACIVSA-N 369.424 4.869 0 1 FJAF Cc1ccccc1OC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C 253640368 LNDIIWNPPXKDSX-RCLSDMTESA-N 369.892 4.820 0 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C[C@]1(c2ccccc2F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338645 XXFNJCLSVVYXHM-RBBKRZOGSA-N 366.363 4.945 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCC23CCCC3)[C@@H]1c1ccc(F)cc1 587347408 APFRURYQJDUYRJ-KNQAVFIVSA-N 352.405 4.983 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)cc(F)c1)O2 587386652 VWJJXYLZLBKJJJ-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(C=O)cc4)cc1)[C@@H](C2)C3=O 587445274 JETXJRYCTVFJPO-GBXCKJPGSA-N 370.404 4.663 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)nc3ccccn13)CC2=O 587462760 SLPRAGWULWAIKG-FQEVSTJZSA-N 370.836 4.526 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C(C)(C)C)(C(F)(F)F)N1 587705391 MFJUUPZOSSJEOM-RMLUDKJBSA-N 368.212 4.926 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1C 587718276 IHHOPZIEPZARIQ-DYBLOJMWSA-N 366.249 4.968 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@H]3C=C[C@@H]2C3)N1 587818536 ILOPIXBKEZRLNQ-HZKOEDQFSA-N 350.275 4.550 0 1 FJAF Cc1ccc(/C=C/[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826575 FFTRVUVBUVFCCS-FQFDBCNKSA-N 350.231 4.778 0 1 FJAF C[C@]1(c2cccc(S)c2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962696996 HIOSSVRCZKQMNQ-QRWLVFNGSA-N 359.535 4.742 0 1 FJAF Cc1cccc(-c2ccccc2[C@H]2NCCc3ccc(C(=O)N(C)C)cc32)c1 962935020 XGCXOTUCKABASV-XMMPIXPASA-N 370.496 4.599 0 1 FJAF CCC(C)(C)[C@@]1(c2cccc(C)c2)NC[C@@H]2CC(=O)N(C)c3cccc1c32 963036380 XJUSWYBTKOISMY-XDHUDOTRSA-N 362.517 4.728 0 1 FJAF CCc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3n2)cc1C 1857605068 SCFRBHUHFHNVOW-UHFFFAOYSA-N 356.429 4.544 0 1 FJAF CCOc1ccccc1NC(=O)CSc1c[nH]c2ccc(Cl)cc12 2382259471 VODUPIITIKLUHK-UHFFFAOYSA-N 360.866 4.951 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2c2ccccc2)O1 61920927 WBXIKGVHDUBYET-NQIIRXRSSA-N 364.441 4.713 0 3 FJAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)CCC[C@@]4(O)[C@@H]3CC[C@@]2(C)C1 13400468 FALJCKNYMNNQLF-DJIXWYQQSA-N 350.543 4.913 0 1 FJAF biogenic C[C@H]1[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 33830296 GPLGAQQQNWMVMM-DIDGAAAGSA-N 356.598 4.810 0 1 FJAF COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1 40395286 DJBBIRTUOREGET-UHFFFAOYSA-N 371.440 4.927 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2occc2c1 142443362 MQZHYBHBSBYGJH-NSHDSACASA-N 364.228 4.823 0 1 FJAF OC[C@@H]1[C@@H]2CC[C@@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 195387925 HMYQAZJCQGMLQI-YLVMWUGMSA-N 359.513 4.850 0 1 FJAF CCOc1cc(/C=C/c2nc3ccccc3[nH]2)cc(Br)c1OC 586978650 ZPYFLSFQHRASHW-CMDGGOBGSA-N 373.250 4.903 0 1 FJAF Clc1ccc(Br)nc1-c1nc2ccc3c(c2[nH]1)CCCC3 587005432 VYQXIJISSDCFGB-UHFFFAOYSA-N 362.658 4.920 0 1 FJAF Nc1ccc(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)c(C(F)(F)F)c1 587095563 KYHHJXFOLOEVRC-UHFFFAOYSA-N 361.245 4.730 0 1 FJAF Fc1cccc([C@@H]2C[C@@H]2c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c1F 587149715 AHEJLMNFVWICBL-BQBZGAKWSA-N 374.700 4.526 0 1 FJAF Fc1ccc(-c2ccsc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587165555 ZLDBMFBUNZLZCP-UHFFFAOYSA-N 352.390 4.869 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3c(C(C)C)ccc(C)c31)O2 587414988 XGOGDCDFQUYWHN-JOCHJYFZSA-N 351.446 4.652 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418774 CMMALIOMXCWGIC-UGSOOPFHSA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccn1-c1cc(C)ccn1)CC2=O 587471228 OYBWFFGSXPJZEE-FQEVSTJZSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(SC)c(OC)c1)CC2=O 587495074 ZQDIOBDTANCCAC-QGZVFWFLSA-N 358.459 4.782 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cccnc23)N1 587777709 JCTYGMJQEOPXCU-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF Cc1ccc2c(c1C)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587817207 JJTCQUGDRSJXKE-MPBGBICISA-N 374.297 4.929 0 1 FJAF Cc1ccc(/C=C/[C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831728 YBYOLVUNSATMAK-UXEXCVQPSA-N 350.231 4.778 0 1 FJAF CC(C)CSC[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587841878 CJZCSLQHWSFJGU-BZNIZROVSA-N 360.336 4.727 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)sc1C 587845399 QYMFHOJBGDPZAE-FVMDXXJSSA-N 354.288 4.890 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccoc1C 587863912 DZQCDYBSLUVNJP-UHFFFAOYSA-N 364.323 4.558 0 1 FJAF Cc1c(F)ccc2c1[C@@H](c1c(Br)ccc(Cl)c1F)NCC2 962149406 VVFFLWVLIPVGAP-INIZCTEOSA-N 372.640 4.924 0 1 FJAF O=C(O)c1ccccc1Nc1c(Cl)cc(C2=CCNCC2)cc1Cl 1857570571 RZWJBNRVRRNICD-UHFFFAOYSA-N 363.244 4.812 0 1 FJAF CC(C)=CC/C=C(\C)[C@@H](O)Cc1cc(C(=O)O)cc(CC=C(C)C)c1O 1857588421 KOCDZAFJFZUDLN-GNYRPXIHSA-N 358.478 4.805 0 1 FJAF COC(=O)/C=C/c1[nH]c2ccccc2c1-c1nc2ccccc2nc1Cl 1857596109 BUFDEYKSUQNJCV-ZHACJKMWSA-N 363.804 4.618 0 1 FJAF CC1=C[C@@H]2CC[C@H]3[C@](C)(CCC[C@@]3(C)COC(=O)CC(=O)O)[C@@]23CC[C@H]1C3 2356733987 ISUWFQVXZCXIRR-PJZXNLBJSA-N 374.521 4.973 0 1 FJAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1Sc1ccccc1 596259 USIZMXINDGUGMB-UHFFFAOYSA-N 365.454 4.800 0 1 FJAF Cc1cnccc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12 73168807 NEAVXSYDFFCBNJ-UHFFFAOYSA-N 372.350 4.768 0 1 FJAF O=C1CC/C=C\COc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)N1 73200072 XDZQOHWIPBUZJT-IWQZZHSRSA-N 372.428 4.555 0 1 FJAF CC(C)c1cccc(-c2cccc3nc(NC(=O)c4ccc(F)cc4)nn23)c1 96282548 QDUNALIVEOSYBB-UHFFFAOYSA-N 374.419 4.911 0 1 FJAF CCOC1(OCC)[C@@H]2c3ccccc3[C@H]([n+]3ccccc32)C1(CC)CC 100714661 PTYZTAQVAYKDIW-RTWAWAEBSA-N 352.498 4.598 0 1 FJAF COc1cc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 106611626 YPQNDHHCUQGPFN-VMNLXKDOSA-N 358.434 4.503 0 1 FJAF Cc1cc(NC(=O)Nc2cc([C@@H]3C[C@@H]3C)nn2CC(F)(F)F)ccc1F 299827164 OZNVAQFXGNOYPW-JOYOIKCWSA-N 370.350 4.660 0 1 FJAF O=C(O)c1ccccc1/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 586878873 HZUNWJXGNAIGNY-WAYWQWQTSA-N 350.271 4.589 0 1 FJAF Oc1ccc(C2(c3nc4cc(OC(F)(F)F)c(Cl)cc4[nH]3)CC2)cc1 586895869 CFPJAPIOGBXAFD-UHFFFAOYSA-N 368.742 4.900 0 1 FJAF CN(C)CCOc1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586899133 WWJHHBPPGXKIAR-UHFFFAOYSA-N 373.456 4.543 0 1 FJAF O=C(O)c1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991793 WKUWPCGHABHYSN-UHFFFAOYSA-N 367.360 4.517 0 1 FJAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354700 RAXBCYVSCJJNHH-TZKKEJGWSA-N 364.416 4.695 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc(C(F)(F)F)c1C)O2 587381705 JWFWDAOGHBREFK-CQSZACIVSA-N 363.379 4.871 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCC(C)CC3)cc1)O2 587392497 AMHAZNVNWYSQPK-OAQYLSRUSA-N 350.462 4.520 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc4c(c1)[nH]c1ccccc14)[C@@H](C2)C3=O 587438353 NTFXECFPJCGYCI-UUOWRZLLSA-N 369.420 4.993 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(F)c(F)c1)CC2=O 587466283 KNQZAXVDDAJHOU-OAQYLSRUSA-N 360.400 4.980 0 1 FJAF COc1cc(Cl)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587507607 RLKAPUJZAUAILQ-GOSISDBHSA-N 372.848 4.943 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccn3c2)N1 587773951 SREHFVVUXFSKKD-HXPMCKFVSA-N 373.269 4.639 0 1 FJAF CC(C)[C@H]1C[C@@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587832248 JDRMUQFAMGGLSK-CWYPUQQXSA-N 370.306 4.615 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587937611 QCIGQLSNYXSIIG-QFIPXVFZSA-N 372.424 4.523 0 1 FJAF CC(C)c1ccc(-c2cc(O)n(-c3ccnc(Br)c3)c2O)cc1 587939024 APZDSRKXNIIBIH-UHFFFAOYSA-N 373.250 4.836 0 1 FJAF O=C(O)CCC[C@]1(c2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962659860 ATLKGLOUZDCEMG-RUZDIDTESA-N 371.480 4.998 0 1 FJAF CCOc1ccc([C@@H](C)N2CCC(n3c(O)nc4ccccc43)CC2)cc1 1857760654 ZOJROTRDOQRJLC-MRXNPFEDSA-N 365.477 4.539 0 1 FJAF O=C(Nc1cccc(F)c1)Nc1ncccc1OCc1cccc(F)c1 1857770665 RHZPGLDWBOCDQT-UHFFFAOYSA-N 355.344 4.583 0 1 FJAF CC=Cc1cc2c(cc1OC)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@H]2C 2356402963 VYLKLOAVECRURJ-ZSEKCTLFSA-N 370.445 4.991 0 1 FJAF Brc1ccc2nc(-c3ccncc3)c(NC3CCCC3)n2c1 904306 XQNHYPUYQMUDMS-UHFFFAOYSA-N 357.255 4.513 0 3 FJAF Cc1ccc2[nH]c(=O)c3cc(C(=O)N(C)c4ccccc4C)sc3c2c1 13520272 QFDISVWIKYHPHN-UHFFFAOYSA-N 362.454 4.636 0 3 FJAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NCCC(C)C)cc1 774462 DKZIMIRQYYFQBB-UHFFFAOYSA-N 370.474 4.855 0 1 FJAF Cc1cccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H]5C=C[C@@H](C5)[C@]4(C)C3=O)cc2)c1C 1177857 YTMFUJMILRNSCU-FSXUSMNQSA-N 373.452 4.797 0 1 FJAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@@H]2c2nc(-c4ccccc4)no2)N3C)cc1 3807677 WYJIEKRDCVWTRP-DOIPELPJSA-N 359.473 4.779 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](C)[C@@H](C)C4=O)OC(C)(C)C=C3 14681737 QOFDITUHNAYYJC-NEPJUHHUSA-N 368.429 4.529 0 1 FJAF biogenic,in-vitro Cc1cc(C)nc(N2C(=O)CS[C@@H]2c2c(F)cccc2C(F)(F)F)c1 40834679 MUYCTSTXISIWPJ-MRXNPFEDSA-N 370.371 4.635 0 1 FJAF CCOc1ccccc1Oc1cccc(C(=O)Nc2nc(C)cs2)c1 40914901 ZOPBJTWMKISCDT-UHFFFAOYSA-N 354.431 4.895 0 1 FJAF CC[C@H](C1CC1)n1cc(Cl)nc(Nc2c(C)cccc2Cl)c1=O 43067809 SVZHRHXYKGKQRK-CYBMUJFWSA-N 352.265 4.963 0 1 FJAF O=C1Nc2c(ccc(F)c2F)[C@]1(c1ccc(O)cc1)C1CCCCCC1 43200746 POBBMGVRPWQXGA-OAQYLSRUSA-N 357.400 4.879 0 1 FJAF Cc1cncn1CCCN1Cc2c(sc3c2CCCCCC3)NC1=S 45255261 RWLDZVBHKPEKJQ-UHFFFAOYSA-N 374.579 4.515 0 1 FJAF CCCCc1cc(NCc2ccncc2)nc(Nc2cccc(OC)c2)n1 45321795 IBZDQVZLIGMALY-UHFFFAOYSA-N 363.465 4.579 0 1 FJAF Fc1ccc(Nc2ccc3c(-c4ccc(F)cc4F)nncc3n2)c(F)c1 68204813 PVXNNMJBRLTQLZ-UHFFFAOYSA-N 370.309 4.992 0 1 FJAF c1ccc2c(c1)oc1ccc(Oc3cc(NC[C@H]4CCCO4)ncn3)cc12 82067811 SFKRFMFPLUFAOL-OAHLLOKOSA-N 361.401 4.759 0 1 FJAF COc1ccc2cc(-c3nc(C(C)(C)C)[nH]c3-c3cncnc3)ccc2c1 84670315 JPTBZTXOHCUMSM-UHFFFAOYSA-N 358.445 4.993 0 1 FJAF Oc1ccccc1SC[C@H](O)COc1ccc(Cc2ccccc2)cc1 84729900 KZJOMIBFANQCLX-LJQANCHMSA-N 366.482 4.515 0 1 FJAF O=C1[C@H]2c3[nH]c4ccccc4c3[C@H]3CCCC[C@@H]3[C@H]2C(=O)N1c1ccccc1 105481335 YQDIZAHKTNEAGG-LVNJIZSUSA-N 370.452 4.729 0 1 FJAF c1ccc(CN2CCc3c(ccnc3Nc3ccc4ncccc4c3)C2)cc1 143691041 KXNYOWOFBIQOKU-UHFFFAOYSA-N 366.468 4.932 0 1 FJAF CC(C)(C)c1ccc(-c2ccc([C@@]3(O)CN4CCCC[C@@H]4CO3)cc2)cc1 473112304 CMJYCIHZKRQNTI-ISKFKSNPSA-N 365.517 4.681 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586879613 UWKOIBAIXYXZKD-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586891707 UZSFTYUTHDFRCC-QFYYESIMSA-N 352.331 4.866 0 1 FJAF Oc1c(-c2nc3cc(F)cc(Br)c3[nH]2)ccc2c1CCCC2 586899320 XYVVJEGFNWKISC-UHFFFAOYSA-N 361.214 4.716 0 1 FJAF Cc1cc2nc(-c3cccc4c3OCC4(C)C)[nH]c2cc1Br 586911317 GXYTUKTYNNMLQB-UHFFFAOYSA-N 357.251 4.971 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc3ccccc3cc2[nH]1 587039533 GBPVPZFFVGFZNW-INIZCTEOSA-N 355.463 4.699 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2c(C)cnc(Cl)c2[nH]1 587076558 WKNXZJDBHRDZEQ-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCc2c1nc1cccc3c1c2CC3 587211851 ITUZMOPXCSVOHY-HKUYNNGSSA-N 364.489 4.763 0 1 FJAF Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)cc1Cl 587368734 OAGGWCYGWINXEE-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442929 ZZWNNFJNTNGNOK-JTSKRJEESA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(C)c(OC)c(C)c1)CC2=O 587480967 PAFSNAPCQPOKPD-JOCHJYFZSA-N 354.446 4.851 0 1 FJAF O=C1C[C@@]2(CCCc3ccc(Cl)nc32)Oc2c1ccc1c2CCCC1 587500902 QIMCUMBXPLDSJZ-OAQYLSRUSA-N 353.849 4.811 0 1 FJAF CC(C)[C@]1(C(F)(F)F)N[C@@H](C)Cc2ccc(F)c(Br)c21 587706502 QMHASHPHBRLTEI-SDBXPKJASA-N 354.185 4.536 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccnc(C(F)F)c2)N1 587719704 RAMSXDIXRJMSOE-ANRSDYALSA-N 371.200 4.544 0 1 FJAF Cc1c(F)cccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587722960 UUXHWZBNVXRLTR-HUTHGQBESA-N 352.222 4.659 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726590 YBHBPWINTUVSGM-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF Cc1csc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587844942 CQKHCSCFNQIOMJ-MGPLVRAMSA-N 354.288 4.756 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccccc1C 587864478 KOASWRVSIBETHF-UHFFFAOYSA-N 374.362 4.965 0 1 FJAF CSc1ccc(-c2csc(CCNC(=O)OC(C)(C)C)n2)cc1 587924821 KMNWSOCROWYMEJ-UHFFFAOYSA-N 350.509 4.599 0 1 FJAF COc1ccc(-c2cnc3c(N4CCC(C)CC4)snc3c2)cc1OC 653766324 MCPRVFPRWWGRME-UHFFFAOYSA-N 369.490 4.612 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1sc(NC(C)(C)C)nc1Cl)NCC2 962299419 NLNBNPHZCYOTSF-CYBMUJFWSA-N 353.894 4.690 0 1 FJAF Clc1cccc(CNCC2CCN(Cc3ccccc3Cl)CC2)c1 1857616826 RBVSMCYQKABFQG-UHFFFAOYSA-N 363.332 4.995 0 1 FJAF O=C1c2cccc(F)c2CC[C@H]1C1CCN(CCc2ccccc2)CC1 13734321 TYTUURCCMHKELI-IBGZPJMESA-N 351.465 4.526 0 1 FJAF O=C(CCNCc1ccccc1)N1c2ccccc2CCc2ccccc21 26739125 IWCAWIKYFKFRAU-UHFFFAOYSA-N 356.469 4.630 0 1 FJAF FC(F)(F)c1ccc(-c2nnc(-c3ccc(C(F)(F)F)cc3)nn2)cc1 40504792 MXNIGWQFLFFZCH-UHFFFAOYSA-N 370.256 4.638 0 1 FJAF COc1ccc(C=C2c3cccc(OC)c3C(=O)c3c(OC)cccc32)cc1 58506301 AFQSKECPPGFDCB-UHFFFAOYSA-N 372.420 4.846 0 1 FJAF C[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1Cl 169352191 OVTHJDDPUVYTSJ-SNVBAGLBSA-N 352.862 4.749 0 1 FJAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccncn1 253975544 OPZZGUYTLJJHBP-AHIIVRHQSA-N 352.522 4.884 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)NC(=O)CC5)cs2)cc1 587016251 SRFCDFVYGSZXRE-UHFFFAOYSA-N 374.469 4.801 0 1 FJAF C/C=C\Cc1c(CC(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097240 JZJLPVPDQPMERP-PLNGDYQASA-N 371.436 4.589 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(F)cc1)(c1cccs1)O2 587384007 IUIFQMMSIWTAON-FQEVSTJZSA-N 353.418 4.687 0 1 FJAF COc1cc2c3c(c1)O[C@@H]([C@H](c1ccccc1)c1ccc(F)cc1)[C@@H](C2)C3=O 587428482 NGVGHYIYIJUDBI-XZDHIHRUSA-N 374.411 4.782 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](/C(=C\N(C)C)c1ccc(C)cc1)CC2=O 587469307 NCISTYHQTSSTPH-DJAVKIJBSA-N 365.473 4.590 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1c(N)sc(C)c1C)(C1CC1)CC2=O 587489006 AETYVSVUKWHPJW-NRFANRHFSA-N 371.502 4.876 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@H](C(F)F)CC2 587557790 TXGAYNPQZOGAPX-GTXQTCRKSA-N 374.383 4.938 0 1 FJAF COC(=O)c1cc(-c2[nH]c3cccc(F)c3c2C)cn1C(=O)OC(C)(C)C 587634887 ASSQOKCTHKGABV-UHFFFAOYSA-N 372.396 4.654 0 1 FJAF CC=CC=CC=C1CO[C@@](C)(OC)[C@H]1OCc1c(O)cccc1CCC 2356722304 CMGDDPIWFSGFBB-FCHUYYIVSA-N 358.478 4.681 0 1 FJAF COc1ccc(/C=C/C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 4852250 AFHZOPUMLSITHH-AWNIVKPZSA-N 363.438 4.905 0 1 FJAF CC(C)C[C@@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18116502 FBDKOQFGRLCPEZ-UNMCSNQZSA-N 368.498 4.746 0 1 FJAF Cc1ccc(CNc2ncnc3cc(-c4ccc5c(c4)OCO5)ccc23)o1 36382592 PMXYVNCJPDWENL-UHFFFAOYSA-N 359.385 4.539 0 1 FJAF COc1cc([C@H](c2ccc3ccccc3c2)n2ccnc2)cc(OC)c1OC 40425139 FBLZGTMSZIDIQF-QFIPXVFZSA-N 374.440 4.700 0 1 FJAF CO[C@@](c1ccc(Cl)cc1)(c1ccc2cnccc2c1)c1cncn1C 45253747 XICPVJDPXPEWJJ-NRFANRHFSA-N 363.848 4.560 0 1 FJAF COc1cc2ccnc(Cc3ccc(SC)cc3)c2cc1OCCF 72106476 NMQGMRNBZADPBZ-UHFFFAOYSA-N 357.450 4.904 0 1 FJAF Fc1ccccc1CNC[C@@H]1CCC[C@@H](CNCc2ccccc2F)C1 95587567 YLUOJFMUQNEWHZ-QZTJIDSGSA-N 358.476 4.651 0 1 FJAF Cc1cc(C)nc(-n2nc(C(F)(F)F)cc2-c2ccc(Cl)cc2)n1 103285642 WTHBPOBUDFNXBN-UHFFFAOYSA-N 352.747 4.618 0 1 FJAF COc1cccc([C@H](C)Nc2cc(-c3ccc(N(C)C)cc3)nc(C)n2)c1 142504477 LMWFCMBOBFLWSS-HNNXBMFYSA-N 362.477 4.700 0 1 FJAF C[C@@H](C(=O)O)c1ccc(-c2cccc(OC(=O)NC3CCCC3)c2)c(F)c1 143658416 PWCYDILYVCDGCC-CYBMUJFWSA-N 371.408 4.712 0 1 FJAF Cc1cc(OC(C)C)cc(C)c1-c1csc(NC(=O)c2ccncc2)n1 149054176 FGXOJZDWXAQMCS-UHFFFAOYSA-N 367.474 4.861 0 1 FJAF Cc1cc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Nc1ccccc1 223408646 ZTITWEKKRIDSCW-UHFFFAOYSA-N 368.440 4.568 0 1 FJAF Cc1cc(C)cc(C(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)c1 226314317 RSOSLJOUUQFJTO-UHFFFAOYSA-N 371.484 4.651 0 1 FJAF O[C@H]1C[C@@H](c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc21 586901902 JANDLCZPZCYYIV-RISCZKNCSA-N 363.642 4.548 0 1 FJAF COc1cc(/C=C/c2nc3ccc(F)c(C)c3[nH]2)ccc1Br 586975563 FAFLCOPBUYWAMR-XBXARRHUSA-N 361.214 4.952 0 1 FJAF Cc1cc(O)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586990448 FPLPYTACKMXQKZ-UHFFFAOYSA-N 369.376 4.538 0 1 FJAF Brc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1 587037488 VWHGBZSPTPFSBQ-CYBMUJFWSA-N 351.294 4.766 0 1 FJAF COc1cc2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2cc1OC 587076711 MFJQYKGEKCYMGD-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF Cc1ccnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc12 587149532 HXYMBJDZYORWFF-GOSISDBHSA-N 351.356 4.713 0 1 FJAF Cc1cc(Br)c2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587175710 ZPHIZQMXUJDYKU-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF Cc1c(F)ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c12 587241149 VOCIFKZPLLDRSJ-UHFFFAOYSA-N 357.385 4.730 0 1 FJAF Cc1c(Br)cc2nc(-c3cc4cc(N)ccc4o3)[nH]c2c1C 587252058 RUWKKWHYKCBRBP-UHFFFAOYSA-N 356.223 4.938 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccncc1)(c1ccc(Cl)cc1)O2 587377512 JLJPYZUTICCMTP-NRFANRHFSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(F)c(C(F)(F)F)c1F)O2 587380139 BGQUSGQPGMNJRG-ZDUSSCGKSA-N 357.278 4.581 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2ccccc2-c2ccc(N(C)C)cc21 587387606 QKVQGQJQJZFSRU-XMMPIXPASA-N 370.452 4.533 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCc3c1[nH]c1c(C)cc(C)cc31)O2 587396802 PKVCBDYXLSEXOM-QHCPKHFHSA-N 360.457 4.872 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4cccc(F)c4)cc1)[C@@H](C2)C3=O 587429803 XAHCFEYVVDZDAH-WMZHIEFXSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4cccc(C)c4)n1)[C@@H](C2)C3=O 587452657 SKEWECKHYFKCTO-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c[nH]c3nccc1-3)CC2=O 587462161 NTGHGYQUUNLZKH-INIZCTEOSA-N 356.809 4.533 0 1 FJAF COC(=O)c1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587503656 WGBYZAJYFVLNCQ-IBGZPJMESA-N 370.832 4.712 0 1 FJAF COCCCc1ccccc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587521721 JLGHREXMJHYRCS-JOCHJYFZSA-N 350.458 4.851 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1F 587555916 HWDLRWQMEDWPPR-RXVVDRJESA-N 350.345 4.543 0 1 FJAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1 587566503 PXHLGZCOGRHMDZ-UHFFFAOYSA-N 368.742 4.669 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CC1 587603180 NKGIDAAUHJJVFB-NZQKXSOJSA-N 358.393 4.973 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615037 VDQDDUUKKBVAHC-PXNSSMCTSA-N 352.411 4.639 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1-c1ccc(Cl)cc1Cl 587649219 MIGRNBMSZIJMMR-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF CS(=O)(=O)c1ccc2[nH]c(C(F)(F)Cl)c(-c3ccccc3)c2c1 587650105 WYZOAXGFDXGZJT-UHFFFAOYSA-N 355.793 4.527 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3ccccc32)N1 587819843 WVQMDMZMYPEQTQ-CWTRNNRKSA-N 360.270 4.702 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587821563 IWGIGMXPXKDUIR-GTNSWQLSSA-N 364.258 4.534 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3c(c2)CCC3)N1 587824046 TUMDYVXQJDYQGS-NSPYISDASA-N 360.270 4.701 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC2(C)C 587824463 WXQRKEFSQXOPCR-MPBGBICISA-N 374.297 4.948 0 1 FJAF CC(C)(C)n1ncc2c(NCCc3c(Cl)cccc3Cl)ncnc21 653748803 JIMVYMYVEPGLSJ-UHFFFAOYSA-N 364.280 4.543 0 1 FJAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@]12C[C@@H]1C=C[C@H]2C1 961778736 QQLVEJVYVIVLNY-DLYSWHJUSA-N 366.505 4.629 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)=O)C(F)(F)Br 963237925 HJTNGLIQPSJLMW-BLLLJJGKSA-N 374.269 4.505 0 1 FJAF COc1cccc(CCN[C@@H](C(=O)Nc2ccccc2C)c2ccccc2)c1 1857647715 KCQIIVWEACSFLM-HSZRJFAPSA-N 374.484 4.516 0 1 FJAF Clc1ccc([C@@H](OCn2ccnc2)c2nc3ccccc3[nH]2)c(Cl)c1 1648048 ZBWKROZHSABEDR-QGZVFWFLSA-N 373.243 4.830 0 1 FJAF Cc1ccc([C@@H]2NC(=N)NC3=C2CCOc2c3ccc3ccccc23)cc1 6522740 UCXARMUKMKBNJB-FQEVSTJZSA-N 355.441 4.511 0 1 FJAF NCc1cc2cc(NCc3ccccc3OCc3ccccc3)ccc2[nH]1 13445568 XRDFRPJTYPMPAR-UHFFFAOYSA-N 357.457 4.818 0 1 FJAF Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1C 14977019 GROGUFGGYGJDAZ-SFHVURJKSA-N 354.446 4.656 0 1 FJAF Brc1cccc(Nc2ncnc3c2NCc2ccccc2O3)c1 28571865 WPYSHFFDOUQSGB-UHFFFAOYSA-N 369.222 4.701 0 1 FJAF CC(=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 40712664 SUEPTDAMYWMEOU-JKIJMZBWSA-N 356.506 4.801 0 1 FJAF CN(C)CCNc1nc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 40936827 NBTOWFLEICHOOL-UHFFFAOYSA-N 368.484 4.937 0 1 FJAF CN(C)CC[C@]1(c2cccc(-c3ccccc3)c2)Cc2ccccc2C(=O)O1 53244186 PPNRLPHHDUNWIB-RUZDIDTESA-N 371.480 4.914 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1cnccc1SCc1ccncc1 64559314 CQTCYWMFPXWFBG-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF O=C(Nc1cccc(F)c1)Nc1cc(CC2CC2)nn1-c1ccccc1 96273817 KUICHCUXYZKNOO-UHFFFAOYSA-N 350.397 4.608 0 1 FJAF CCCCC/N=c1\nc(-c2ccc(OC)cc2)n(-c2ccccc2)s1 101506363 CMTXBSNLVNPASO-QZQOTICOSA-N 353.491 4.700 0 1 FJAF O=C(c1ccc(-c2cccs2)nc1)N1CCC2(CCc3ccccc32)CC1 198994329 AGZSJBMQDKLDCV-UHFFFAOYSA-N 374.509 4.930 0 1 FJAF S=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 473088989 PURFYPKGWMKXTA-UHFFFAOYSA-N 370.521 4.750 0 1 FJAF Cc1ccc(-c2nc(NC(C)C)ncc2-c2cc(F)c(O)c(F)c2)cc1 473090287 OEOITLSQKKJYKY-UHFFFAOYSA-N 355.388 4.923 0 1 FJAF CCOc1ccc(-c2ncsc2-c2cc(OC)c(OC)c(OC)c2)cc1 473104033 NYMGDBLPECPBMZ-UHFFFAOYSA-N 371.458 4.902 0 1 FJAF Cc1cc(F)c2[nH]c(-c3ccoc3COc3ccc(C=O)cc3)nc2c1 586901648 VKYZADMZTHBCCG-UHFFFAOYSA-N 350.349 4.662 0 1 FJAF Cc1cnc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587095920 ADWBCIIJJZLHGX-UHFFFAOYSA-N 351.409 4.828 0 1 FJAF Cc1cccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587190265 JFEMVWNXHCYQCY-GOSISDBHSA-N 351.450 4.828 0 1 FJAF O=C(O)Cc1c(-c2ccc(Cl)c(Cl)c2)nc2cccc3c2c1CC3 587209028 GEFLEYCPAKGZCZ-UHFFFAOYSA-N 358.224 4.934 0 1 FJAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 587338572 OJZJYJJCCQXQAC-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc(-c3ccccc3)n3ccccc13)O2 587394041 PVAVVIGRQBJJJZ-FQEVSTJZSA-N 369.424 4.598 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)cncc1Cl)CC2=O 587463226 UAWQWJQMLCZSQS-HNNXBMFYSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OC)c(Cl)cc1F)CC2=O 587465003 DUZQXIWGLHGOFZ-QGZVFWFLSA-N 364.800 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)nc1C)CC2=O 587489735 NKUPUHVSNICLTM-OAQYLSRUSA-N 374.440 4.817 0 1 FJAF O=C1C[C@@H](c2cc(-n3ccnc3)cs2)Oc2c1ccc1c2CCCC1 587531498 LHWQRQIIIRSYJZ-SFHVURJKSA-N 350.443 4.519 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1 587542786 ADXZHKHJGYUXGY-PXNSSMCTSA-N 352.773 4.749 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc(F)c1Cl 587558469 SKWBURNWNOOEOK-OXQOHEQNSA-N 370.763 4.888 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2F)N1 587725412 DGMQICOHQKUHJC-VOJFVSQTSA-N 366.249 4.719 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)cc2)N1 587737103 WNZXDFOFMUOSOA-BMLIUANNSA-N 352.222 4.525 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3ccccn3c2)N1 587773948 SREHFVVUXFSKKD-BLVKFPJESA-N 373.269 4.639 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](c2ccccc2)(C2CC2)N1 587816338 WQVVWGODDRNFJL-BUXKBTBVSA-N 360.270 4.776 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H]2CC(C)(C)CCC2=O)N1 587819165 GXINEFXPHWFFHL-PGQWDYDZSA-N 368.290 4.559 0 1 FJAF Cc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587820148 YIYQWWVANFUUGQ-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF CC1(C)Cc2cnn(-c3ccc(C(=O)O)cc3)c2-c2[nH]c3ccccc3c21 621478534 XIARDZWPMHGFIT-UHFFFAOYSA-N 357.413 4.553 0 1 FJAF c1ccc([C@]2([C@@H]3CCOC3)c3ccsc3CCN2Cc2ccco2)cc1 962714544 ZUAXXKQYBKVNDE-GCJKJVERSA-N 365.498 4.680 0 1 FJAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12Cc1c(O)cc3c(c1O2)COC3=O 2356371731 OTYOIXMXORVTFK-SLYOZJLYSA-N 370.489 4.999 0 1 FJAF CCCc1c([S@@](=O)C2CCCCC2)c2cc(Cl)ccc2[nH]c1=O 13585216 QRBUGQMJMFAHKS-HSZRJFAPSA-N 351.899 4.574 0 1 FJAF in-vivo N[C@H](COc1cccc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12 14957735 TVFSXXGRMGACEZ-SHBDEGQCSA-N 369.468 4.682 0 1 FJAF CS(=O)(=O)c1ccc(-c2ccc(F)c(F)c2-c2ccc(F)cc2)cc1 28353470 ZDGVPKZJIGWQDS-UHFFFAOYSA-N 362.372 4.841 0 1 FJAF CC(C)(C)c1ccccc1-c1cccc2c(=O)cc(N3CCOCC3)oc12 28565118 FRKBAXLBUGPEEX-UHFFFAOYSA-N 363.457 4.594 0 1 FJAF O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1c1cc(Cl)ccc1O 40379678 VTBIJEIKZLXUPK-CYBMUJFWSA-N 359.756 4.850 0 1 FJAF CCCCCOc1ccc(CCc2cccc(O)c2C(=O)O)cc1C(C)=O 82157994 BFFGDDUHWIRZRA-UHFFFAOYSA-N 370.445 4.647 0 1 FJAF COc1cccc(N(C)C(=O)c2ccc(-c3ccc(OC)c(F)c3)s2)c1 95585678 JJJNBNRLZNDSMT-UHFFFAOYSA-N 371.433 4.848 0 1 FJAF O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2cccnc2)s1 96284256 NDDFZBKJVUZTAQ-UHFFFAOYSA-N 366.233 4.551 0 1 FJAF O=C1O/C(=C/c2ccc(F)cc2)C=C1Cc1ccc(Br)cc1 103168850 QHHPSRWYSSRBGT-LICLKQGHSA-N 359.194 4.655 0 1 FJAF CCOC(=O)c1sc2cnccc2c1Nc1ccc2c(c1)CC[C@H]2N=O 169724428 ABULRKFCYNZEDB-OAHLLOKOSA-N 367.430 4.970 0 1 FJAF CC(=O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 255258275 PDKQWVGVSXAXRB-KKKLOTMJSA-N 374.565 4.800 0 1 FJAF Oc1cccc([C@@H](O)c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)c1 586891949 QGAUDEJUUZBXEV-LJQANCHMSA-N 373.437 4.627 0 1 FJAF Oc1ccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c(Cl)c1 587055682 WMGOZHMQRHCYNO-UHFFFAOYSA-N 359.557 4.630 0 1 FJAF FC(F)(F)c1ccc(-c2nc3cnc(Cl)[nH]c-3n2)c(C(F)(F)F)c1 587094833 IXSSWIKHTKXARZ-UHFFFAOYSA-N 366.652 4.663 0 1 FJAF COc1cc2nc(-c3cccc(NC(=O)C(C)(C)C)c3)[nH]c2cc1Cl 587241417 BDYCIQWHPNJRAK-UHFFFAOYSA-N 357.841 4.877 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](CCN(C)C)(c1cccc3ccccc13)O2 587385374 CIFHFPAVONAARX-DEOSSOPVSA-N 374.484 4.543 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Sc3ccccn3)cc1)O2 587410878 RBOYFYMALNQKEK-IBGZPJMESA-N 362.454 4.830 0 1 FJAF C[C@H](c1ccccc1)N1CC[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515858 WLJCPTOUOSUJEI-OSPHWJPCSA-N 361.485 4.736 0 1 FJAF FC(F)(F)c1cc(Cl)c2[nH]c(CCOCc3ccccc3)nc2c1 587566081 SXTNMLILWRDIGQ-UHFFFAOYSA-N 354.759 4.994 0 1 FJAF CC(C)(c1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602576 KCOMIXMHFDNCCD-DENIHFKCSA-N 360.409 4.700 0 1 FJAF Cc1csc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587611585 GQVGVJBEQAQWSS-PXNSSMCTSA-N 352.411 4.639 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@H]2c2ccccc2)N1 587822134 IZOONKPSPUWBJM-IUYNRSMJSA-N 360.270 4.967 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccco2)N1 587826899 GPERPGPCDFJBBF-DIFFPNOSSA-N 352.247 4.563 0 1 FJAF CC[C@]1(Cc2nc3c(C)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587958931 AGRZOQZBDPPPJE-HXUWFJFHSA-N 353.853 4.688 0 1 FJAF CCC(=O)N(C[C@H]1CCCCN1CCc1ccccc1)c1ccccc1 653777928 ULYBJDQUZYCJLM-JOCHJYFZSA-N 350.506 4.527 0 1 FJAF Cc1ccccc1NC(=O)O[C@H]1CC[C@@]23CCCN2C(=O)CCC[C@H]3[C@H]1C 205708482 RGOCJIQEMMXDEH-NIRMNWTQSA-N 370.493 4.503 0 3 FJAF COc1cc(C)c2c(c1C)OC(=O)c1c(C)c(Cl)c(O)c(Cl)c1O2 13382709 WVJSQIHNASRFLV-UHFFFAOYSA-N 369.200 4.958 0 1 FJAF biogenic COc1c(OC/C=C(\C)CCC=C(C)C)cc(O)c2c1C[C@H](C)OC2=O 13480551 MOMMXCDOMXCEJA-HNRFISLBSA-N 360.450 4.574 0 1 FJAF C[C@H](NC(=O)Nc1cccc2cnccc12)c1ccc(Br)cc1 14973620 AKTZXXHZSMWADQ-LBPRGKRZSA-N 370.250 4.880 0 1 FJAF O=C(O)c1ccc(C2=NN(c3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 62224697 QVBALTUFBKAWIY-NRFANRHFSA-N 360.388 4.880 0 1 FJAF CC(C)(C)c1cc(N2C(=O)CS[C@H]2c2c(F)cccc2Cl)no1 73159441 SLURAUHEFMDZCO-HNNXBMFYSA-N 354.834 4.543 0 1 FJAF CC(C)c1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C)CC1)=N2 101167560 GVJICTNRRRAALR-UHFFFAOYSA-N 359.517 4.727 0 1 FJAF CCCCC1([C@H](O)/C=C/[C@H]2CCC(=O)[C@@H]2CCCCCC(=O)O)CCC1 169315191 KFWNCNNBGJRBNK-NKYRBWEESA-N 364.526 4.894 0 1 FJAF Cc1nc(N)cc2c(NC(=O)N[C@@H]3CC[C@H](c4ccccc4)C3)cccc12 169704993 GFPVJLWOJXJCEL-DLBZAZTESA-N 360.461 4.583 0 1 FJAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3nc(Cl)c[nH]c-3n2)c1 587092884 HQIAHCOVOWAPAF-UHFFFAOYSA-N 366.652 4.663 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc(Br)ncc4[nH]3)C2)c1 587132000 ZKURDMZTQNZWRL-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cc(Cl)cc(F)c2[nH]1)C(C)(C)C 587204603 KVXYBEKIWUWTOY-ZDUSSCGKSA-N 369.868 4.837 0 1 FJAF CC[C@H](C)c1ccc(OC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443827 PXXUCGAXYSDLRL-DGIMUSOZSA-N 352.430 4.706 0 1 FJAF Cc1cc(C)cc(C[C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603874 RZVQWLLJQKLEPZ-SFTDATJTSA-N 360.409 4.582 0 1 FJAF O=C(O)CCc1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587633034 WTSBKNRYXAPCQS-UHFFFAOYSA-N 362.198 4.754 0 1 FJAF O=C(CC1CCCCC1)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660020 MDTFKOJZKISOAB-UHFFFAOYSA-N 364.420 4.813 0 1 FJAF CCOc1ccccc1OCc1nc2cc(Br)cc(C)c2[nH]1 587780156 LZMGZDVRSJZCKJ-UHFFFAOYSA-N 361.239 4.612 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccccc2)N1 587814992 XKSOAYNKPZPXEL-YJYMSZOUSA-N 362.286 4.970 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(C)cc2s1 587872952 UGHAOKYFDYFBOI-UHFFFAOYSA-N 353.422 4.995 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963098664 IYNHDSYHQGRXIF-JPYJTQIMSA-N 361.464 4.510 0 1 FJAF COC(=O)C=CC=C[C@@H]1[C@H](C=CC=CCCCC(=O)O)C=C[C@H]2CCC[C@@H]21 2356553568 FMNXZOPVRFLFPQ-NCYKPQTJSA-N 370.489 4.858 0 1 FJAF CC(C)=CCc1ccc([C@H]2CC(=Cc3ccc(O)cc3)OC2=O)cc1O 2356687070 CKXDJBIVHGLXSZ-HXUWFJFHSA-N 350.414 4.678 0 1 FJAF Cc1nc(CCCCCC[C@H](O)c2ccccc2)n2nc(Cl)ccc12 5891766 GLBSNDUVYMWILA-SFHVURJKSA-N 357.885 4.918 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3c(O)cc(OC)c(CC=C(C)C)c3O2)cc1 14819324 QTEBTSUWUVNMHC-IBGZPJMESA-N 368.429 4.625 0 1 FJAF biogenic COc1ccc(-c2cc(-c3c[nH]c4ccccc34)nc(N3CCCC3)n2)cc1 28470677 NRJVMSUBXHIUGK-UHFFFAOYSA-N 370.456 4.901 0 1 FJAF COc1ccc(F)cc1C(C)(C)C[C@@](O)(c1ccccc1)C(F)(F)F 28862167 WLHSXLFNWGZUFE-GOSISDBHSA-N 356.359 4.952 0 1 FJAF O=C(CCc1ccc(-c2ccccc2)cc1)c1ncc(C(=O)C(F)(F)F)o1 29135781 FPVSXZPXMYVAQM-UHFFFAOYSA-N 373.330 4.902 0 1 FJAF COc1cccc2c1OCc1cc3c(cc1N(c1ccccc1)C2)OCO3 71332212 SKQGISKAORTCKH-UHFFFAOYSA-N 361.397 4.655 0 1 FJAF Cc1cc(Cl)ccc1NC(=O)c1c(Cl)cccc1C(=O)NC(C)C 103186475 KMGIXRHWMRTLTH-UHFFFAOYSA-N 365.260 4.692 0 1 FJAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(C)c1 103275968 NYLGKIMMHKFFGB-UHFFFAOYSA-N 372.428 4.649 0 1 FJAF O=[S@](CC[C@@](F)(Cl)C(F)(F)Cl)c1nc2ccccc2s1 299859982 ISFOFKJYSXPBPW-WVDJIFEKSA-N 362.225 4.530 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c([C@H](C)SCc3ccccc3)nc2c1 586962714 GVZSYDOFAYKISS-NSHDSACASA-N 360.866 4.997 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccnc(Cl)c3)nc3ccc(O)c1c23 586985479 DNMQERHCWHVQFG-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF Cc1cc2c(Br)ccc(-c3nc4ccc(CO)cc4[nH]3)c2o1 587004435 SVEWQWOWVDVJRJ-UHFFFAOYSA-N 357.207 4.539 0 1 FJAF Cc1ccc2c(ccc3nc(-c4ccnc(Br)c4Cl)[nH]c32)n1 587006588 IKYCKLMHIFCERU-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4nc(Cl)c[nH]c-4n3)c21 587030660 IHONCJGQQGPYNW-SNVBAGLBSA-N 369.881 4.917 0 1 FJAF Cc1cc(Br)cc2nc(C[C@H]3OCCc4ccsc43)[nH]c12 587037376 USHOCQJRONMDHF-CYBMUJFWSA-N 363.280 4.552 0 1 FJAF Nc1ccnc2[nH]c(-c3cncc(-c4cc(Cl)cc(Cl)c4)c3)nc12 587069457 AYYIZASJMKZHOW-UHFFFAOYSA-N 356.216 4.576 0 1 FJAF COc1ccc(-c2nc3cc(C(F)(F)F)cnc3[nH]2)c(C(F)(F)F)c1 587095593 MAQYXZDGGBSEKX-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@H]4C1CC1)-c1ccccc1C2=O 587100302 FYMGEOIRRLSZJA-SFHVURJKSA-N 353.421 4.764 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2n1 587109444 PXQQNKAKYJBXJO-UHFFFAOYSA-N 363.339 4.639 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587118584 RSDSUNRHUYDSNA-UHFFFAOYSA-N 366.290 4.594 0 1 FJAF CCOc1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)ccc1OC(F)F 587130681 NVRTUIHNIRHSIB-XQRVVYSFSA-N 365.767 4.782 0 1 FJAF Fc1cc(F)c(-c2nc3cnc4ccccc4c3[nH]2)cc1Br 587136931 ZHURNQCYNRDTKA-UHFFFAOYSA-N 360.161 4.819 0 1 FJAF C[C@@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338663 UJEARDVIQPHKTD-UNMCSNQZSA-N 366.363 4.945 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Cl)c2)N1 587696238 DQBYNMRLCFKVHX-VPTHRUTESA-N 370.649 4.571 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2F)N1 587714452 FTZUJDXTURKZAW-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]ccc3c2)N1 587801658 HRLPYCKZDJHUDA-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@@H]3c2cccn2C[C@H]2CCCO2)cc1 962658187 CCSCICKFZNPXFR-QPPBQGQZSA-N 358.485 4.569 0 1 FJAF CCOC(=O)[C@@H]1C[C@@H](C)CC[C@@]12NCCc1cc(-c3ccccc3)ccc12 962665041 LFIZBIDGTRZTML-OWSXEPHWSA-N 363.501 4.694 0 1 FJAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)NCC(C)(C)c2ccc3c(c21)OCO3 963390581 KSBZFEBBGRQXLQ-WAIKUNEKSA-N 373.537 4.887 0 1 FJAF O=C(CCCOc1ccc(Cl)c(Cl)c1)Nc1ncc(Cl)s1 1857565204 LPTNDYIJQHJNTF-UHFFFAOYSA-N 365.669 4.901 0 1 FJAF COc1ccc([C@H]2C[C@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)c(OC)c1OC 2382234716 BYGXUCMXQAUZGT-HQAMDYDRSA-N 352.446 4.707 0 1 FJAF COc1cc(-c2ncoc2-c2ccc3c(ccn3C)c2)cc(OC)c1OC 13473127 BNILAUOYUJPTCX-UHFFFAOYSA-N 364.401 4.526 0 1 FJAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3)c(Br)c2n1 13835034 VGNPWXVVAMFRIA-UHFFFAOYSA-N 371.282 4.686 0 1 FJAF CC1(C)CN([C@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1 22938030 YBDPFVPDVAAUOC-ICSRJNTNSA-N 358.888 4.740 0 1 FJAF COC(=O)C[C@@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1 26993027 VGFJBDMKRLUSIK-OAQYLSRUSA-N 356.425 4.889 0 1 FJAF COc1ccc(Cl)cc1-n1ncc(-c2nnc(-c3ccccc3)o2)c1C 45257139 UBUNMQANZNUSDS-UHFFFAOYSA-N 366.808 4.560 0 1 FJAF Cc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccn2)cc1Cl 66078589 XEMDSKDWZPOTOR-UHFFFAOYSA-N 365.820 4.548 0 1 FJAF CC(C)c1ccc([C@@](O)(c2ccc(C(F)(F)F)cc2)c2cncnc2)cc1 72103177 CUHRJNIKOAMGLR-HXUWFJFHSA-N 372.390 4.903 0 1 FJAF COc1ccc(-c2nnc3ccc(-c4cccc(Cl)c4)cn23)cc1OC 82082877 MXAPWEDFDJIIQY-UHFFFAOYSA-N 365.820 4.734 0 1 FJAF Cc1ccc2ccc3c(c2n1)Oc1ncnc(N)c1[C@H]3c1ccc(Cl)cc1 103200347 JJBQRIXEPJMASH-INIZCTEOSA-N 374.831 4.855 0 1 FJAF COc1ccccc1C(=O)Nc1ccc2[nH]nc(-c3ccc(F)cc3)c2c1 164784562 MDYCKKXFSHOVCJ-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF O=C(NCCN1CCC(Cc2ccccc2)CC1)c1ccc2ccccc2c1 473135769 KPCRSRJGGIXJEI-UHFFFAOYSA-N 372.512 4.524 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586882722 AMMIUTJXUSCKPY-MLQVYSHPSA-N 366.690 4.842 0 1 FJAF CC1(C)COc2c(-c3nc4ccc(-c5ccc(N)c(N)c5)cc4[nH]3)cccc21 586911983 NDIVUBWSMRJWIT-UHFFFAOYSA-N 370.456 4.731 0 1 FJAF FC(F)(F)c1ncc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 587050055 OKGUSNNSPSENTB-BQBZGAKWSA-N 373.165 4.901 0 1 FJAF COc1cncc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c12 587139532 NLDZILKIILXICG-UHFFFAOYSA-N 361.376 4.642 0 1 FJAF COc1cc2nc(C3(Nc4ccc(C)cc4)CCCC3)[nH]c2cc1OC 587237540 SNHSEXHZHAIPFN-UHFFFAOYSA-N 351.450 4.770 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCC[C@@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587417969 FZWZYLFDTYKMNZ-VWKPWSFCSA-N 354.833 4.803 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(F)c(F)c1)CC2=O 587467075 PXJAEVBJMWRZLK-LJQANCHMSA-N 350.336 4.643 0 1 FJAF Nc1c(Br)cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498228 GGFTYEHVEVKNBO-KRWDZBQOSA-N 372.262 4.617 0 1 FJAF Cn1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cnc1-c1ccccc1 587511116 DNDVNLPKEINLSA-OAQYLSRUSA-N 358.441 4.672 0 1 FJAF Cc1csc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587611587 GQVGVJBEQAQWSS-YLJYHZDGSA-N 352.411 4.639 0 1 FJAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CN(C)C)cc1OC 587630032 DVGYGSZRXDYOTR-UHFFFAOYSA-N 362.832 4.706 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(F)c(F)c(F)c2[nH]1 587928149 WXGPHQAVPLYYOV-SNVBAGLBSA-N 350.340 4.539 0 1 FJAF CC/N=c1\c(NC(=O)c2ccc(C(C)(C)C)cc2)c(O)oc2ccccc12 617997449 CBNUAYJJZVZMCW-NKFKGCMQSA-N 364.445 4.609 0 1 FJAF CCC[C@@H](CC)C[C@]1(c2ncco2)NCCc2c(OC)ccc(Cl)c21 963268925 BGALWPUXPBADMQ-VLIAUNLRSA-N 362.901 4.942 0 1 FJAF CO[C@H](COc1cccc2[nH]ccc12)CN(CC1CCCC1)C(C)(C)C 2382220672 USQIQVXSJBTPDY-SFHVURJKSA-N 358.526 4.852 0 1 FJAF O=C(NCc1cccnc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61908442 XMQWDVJIKBSRST-UHFFFAOYSA-N 364.351 4.703 0 3 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1CC1CCCCC1 26650356 XQLKBPQQGDRCLA-UHFFFAOYSA-N 371.484 4.931 0 1 FJAF Cc1cc(CCCCCCOc2ccc(C3=NCCO3)cc2Cl)on1 28760131 LRXNLBZTVRGIRO-UHFFFAOYSA-N 362.857 4.595 0 1 FJAF Cc1cc(CCCCCCCCOc2ccc(C3=NCCO3)cc2)on1 28761181 STDMGVDSBDNJJH-UHFFFAOYSA-N 356.466 4.722 0 1 FJAF FC(F)(F)c1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 36124420 LBRBTXOLXKJQIG-UHFFFAOYSA-N 355.323 4.782 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@H]2c1cccs1 103948786 JXIYYRLLIDAIEM-CYBMUJFWSA-N 373.503 4.816 0 1 FJAF COCCO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)C1 118917916 HQSUOMDNEIPOEM-KIYFCUGLSA-N 362.554 4.732 0 1 FJAF CSc1nn2cc(-c3cc4c(C(F)(F)F)cc(C)nc4o3)nc2s1 143845581 OQWGHVLOLUDWLH-UHFFFAOYSA-N 370.381 4.648 0 1 FJAF O=C(C[C@H]1Oc2cc(O)ccc2C=C1c1ccc(O)cc1)c1ccccc1 202447729 IRYCNTCVXFYGJA-HSZRJFAPSA-N 358.393 4.672 0 1 FJAF CCCCC/C=C\CCCCCCCCCCC(=O)OC[C@H](O)CO 219621599 RNIUPZYYTVVUNU-PXDRNWIDSA-N 356.547 4.920 0 1 FJAF COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ncnc(-c3ccoc3)c12 225373648 HABBSNHUZCEWPR-UHFFFAOYSA-N 360.373 4.652 0 1 FJAF Fc1cc(Br)cc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c12 586885282 LVPHTTQSEWWNCI-ACJLOTCBSA-N 357.226 4.836 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(Cl)ncc3[nH]2)c1 587157785 CVKGSOXQQJVAQO-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3ncc(Cl)cc3[nH]2)cc1 587158048 IDDVZYVZOJNGEJ-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF CCc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1 587219098 LRPPYGIFFPJSDS-NRFANRHFSA-N 355.441 4.645 0 1 FJAF C[C@@H]1Cc2ccccc2[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351352 JOOAPBIHMBLVHY-DXHOUVOYSA-N 374.411 4.978 0 1 FJAF CC[C@@]1(c2ccc(Br)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587420049 VXZQWKNSYDDLGK-BEFAXECRSA-N 373.246 4.511 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)c(C)c1)CC2=O 587473653 AYKFFMLWKMRMNC-JOCHJYFZSA-N 365.473 4.960 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccc(OC)cc1)CC2=O 587484232 XGWIFIAQKSCYFI-QKKBWIMNSA-N 354.446 4.566 0 1 FJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cnn1-c1ccccc1 587517113 HDSFRZLREYMBQS-XMMPIXPASA-N 372.468 4.940 0 1 FJAF Cc1cccc2c1CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602323 HUJBGOGPXOPHGN-NZQKXSOJSA-N 358.393 4.504 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(F)cc3)c2c1 587642417 NLMNGXQPFSNLPE-LBPRGKRZSA-N 353.393 4.838 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cc1O 587787244 SSALOEIRBYDGKE-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccs2)N1 587849579 AZMFQOOKPFBDFK-QLJPJBMISA-N 354.288 4.642 0 1 FJAF Brc1ccnc2[nH]c(Cc3ccccc3-c3ccccc3)nc12 587958491 FXQKLNBRSRMZOH-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)NCCO3)n1 653762413 ZCSIWNHGHOIZKN-LJQANCHMSA-N 372.472 4.746 0 1 FJAF N[C@@H](N=O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 957756629 DXVSTIWGGRNMID-NRFANRHFSA-N 373.412 4.771 0 1 FJAF c1cncc([C@@H]2CCC[C@@]23c2ccsc2CCN3Cc2ccco2)c1 962717786 VQGOTRWCWZPMQW-RXVVDRJESA-N 350.487 4.957 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2C(=O)OC(C)(C)C)N1 962962915 YSLWGNBRBTYJEU-XOBRGWDASA-N 365.477 4.766 0 1 FJAF Nc1sccc1[C@@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963116290 WJYZUQNQSMFNOG-VGSWGCGISA-N 364.489 4.782 0 1 FJAF C[C@@]1(c2cc(Br)cc(F)c2F)NCCc2cccc(Cl)c21 963390863 NTSVBVCHONGRCL-INIZCTEOSA-N 372.640 4.790 0 1 FJAF Cc1sc(-c2cccc3ccccc23)cc1C(=O)N1CCC(CO)CC1 1772576517 DFBAJMHPAOQEHR-UHFFFAOYSA-N 365.498 4.721 0 1 FJAF FCCOc1cccc(CCN2CCC(CCc3ccccc3)CC2)c1 1857537326 BNEKRHSJWOARGT-UHFFFAOYSA-N 355.497 4.922 0 1 FJAF FC1(F)CC(c2nc3cc(Nc4ccc(C(F)(F)F)cn4)ncc3[nH]2)C1 1857758377 HHWMOONFXGZNRW-UHFFFAOYSA-N 369.297 4.628 0 1 FJAF CO[C@@H]1C=C(CCC=C(C)CC[C@H]2C(C)(C)CCC[C@@]2(C)O)C(=O)O1 2356788530 XCMQDKISWYFCMG-BBTUJRGHSA-N 350.499 4.526 0 1 FJAF CO[C@@H](/C=C/c1csc(-c2csc(C(C)C)n2)n1)[C@@H](C)C(C)=O 13431009 DYTYLMNUPWHHGQ-GYCFJXGYSA-N 350.509 4.643 0 1 FJAF CC(C)(C)n1cc(-c2ccc(Oc3cccc(N)c3)cc2)c2c(N)ncnc21 26269013 OSYIMIXLSSLOOL-UHFFFAOYSA-N 373.460 4.810 0 1 FJAF c1ccc(N2CCN(CCCCCOc3ccc4c(c3)CCC4)CC2)cc1 26502664 WSLTUOAROCTXRB-UHFFFAOYSA-N 364.533 4.547 0 1 FJAF CCCO[C@@]1(c2ccccc2)c2ccccc2C(=O)N1Cc1ccccc1 28338567 BCFIYRQSIPGUHM-DEOSSOPVSA-N 357.453 4.970 0 1 FJAF C[C@H](Nc1ccnc(NCCOc2ccc(F)cc2)c1)c1ccccc1 28370007 RNAQUCCCIRBEBB-INIZCTEOSA-N 351.425 4.885 0 1 FJAF CC(C)c1cccc2c(C(=O)O)c(O)c(C3(c4ccc(F)cc4)CC3)nc12 58563849 AUBXSTRGUCAKQJ-UHFFFAOYSA-N 365.404 4.981 0 1 FJAF O=C1Nc2ccccc2/C1=C\c1nc(-c2ccc(F)cc2)n2ccccc12 72109355 OJHGODBKTUAKPO-GHRIWEEISA-N 355.372 4.633 0 1 FJAF CCCCc1oc(CCc2ccc(O)c(OC3CCCC3)c2)cc1CO 85624479 VMJHOIJCPWPWBQ-UHFFFAOYSA-N 358.478 4.927 0 1 FJAF biogenic,in-vitro C[C@H]1[C@H]2Cc3ccc(NC(=O)c4ccccc4)cc3[C@@]1(C)CCN2CC1CC1 100952861 VTQNVBWUUURPPT-YRSQORNKSA-N 374.528 4.873 0 1 FJAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 101028668 CBNNPWOODQAMIN-QNEBPYRASA-N 371.527 4.516 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nccn2[C@H]1c1cccc(Cl)c1Cl 101267145 UGPPYRQKKDSFPJ-UZFBZYOGSA-N 352.221 4.691 0 1 FJAF C[C@H]1Cc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc2C(=O)N1 222370494 SJQWLZPINZQQNC-AWEZNQCLSA-N 368.440 4.648 0 1 FJAF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)CC(=O)O)CCC[C@@]4(C)[C@H]3CC1)C2 238764335 YMGYBMUUOZDPEB-XLQOOHLRSA-N 374.521 4.973 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccccc3OCc3cscn3)[nH]c2n1 587029740 TVNRXOSBUBBSFA-UHFFFAOYSA-N 364.474 4.958 0 1 FJAF COc1cc(-c2nc3cc(Cl)ncc3[nH]2)cc(Cl)c1OCC(C)C 587045897 IXUVSHBKRRQFOC-UHFFFAOYSA-N 366.248 4.975 0 1 FJAF Cc1cc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)ccn1 587338566 OJZJYJJCCQXQAC-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350374 DOUSCSIGXBVLOK-YWFLULCXSA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Cl)cc1)(c1ccccn1)O2 587377423 IDNPWDGHAUMHKR-NRFANRHFSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@H](c3ccccc3)Nc3ccccc31)O2 587402003 UZWSXZIZYRKFOF-ZJSXRUAMSA-N 370.452 4.995 0 1 FJAF CCCCc1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)[nH]1 587496279 AZSQTSYDJNLNPD-MRXNPFEDSA-N 358.869 4.991 0 1 FJAF CC(=O)Nc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587513708 UBQBHZWCIOTZJF-HSZRJFAPSA-N 363.457 4.713 0 1 FJAF O=C1C[C@H](c2cccn2Cc2cccnc2)Oc2c1ccc1c2CCCC1 587513824 UQTYGGRJUQYTHF-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF C[C@@]1(c2c(Cl)nc3sccn23)CC(=O)c2ccc3c(c2O1)CCCC3 587540013 ZJKKLORAWZFKNK-IBGZPJMESA-N 372.877 4.809 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Cl)cc1 587542942 AXUDHVUFWCOSIC-MOPGFXCFSA-N 366.800 4.619 0 1 FJAF c1ccc(COCCc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1 587566518 QNSRJVUTZNRFSF-UHFFFAOYSA-N 358.441 4.901 0 1 FJAF C[C@@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569296 PVTPKOWJCPXIHO-RXVVDRJESA-N 368.335 4.547 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cncc2ccccc12 587588132 RXUQNTAPHGBHSD-REWPJTCUSA-N 369.376 4.643 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2cc(Cl)c(F)cc12 587631217 XXZJTKYRABBAIV-UHFFFAOYSA-N 363.747 4.512 0 1 FJAF Cc1nc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc2cc1Br 587964672 FWZWUOILFHYOPX-UHFFFAOYSA-N 358.283 4.868 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ncc(Br)cc1F 963231285 QHCIBQWEJJLZIE-KZULUSFZSA-N 363.274 4.729 0 1 FJAF FC(F)(F)c1cccc(Nc2ncc3c(n2)-c2cccnc2SC3)c1 1857567458 SHQWILZWNUHAQK-UHFFFAOYSA-N 360.364 4.907 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(Cl)cc21 1857599435 BDQRGVMZOMIZNT-UHFFFAOYSA-N 362.860 4.994 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](c1cccc(Cl)c1)C(=O)N2 1857628960 RJKAMFDMSQKRBP-SFHVURJKSA-N 354.793 4.684 0 1 FJAF C[C@](O)(c1cccc(F)c1)c1nc(-c2cccc3cccnc23)cs1 61929595 OYYMZSHNEHGJMD-FQEVSTJZSA-N 350.418 4.753 0 3 FJAF COC(=O)c1ccc(Nc2nc(-c3ccccc3)c3ccccc3n2)cc1 4058991 INVCRSJVYANNTI-UHFFFAOYSA-N 355.397 4.827 0 1 FJAF C[C@H]1CCC[C@@H](C)N1CCCNC(=O)[C@H](c1ccccc1)C1CCCC1 13734047 UXGYHPCEXONQIZ-XQBPLPMBSA-N 356.554 4.730 0 1 FJAF Cc1ccccc1NC(=O)Nc1ccc(-c2cccc3c2CNC3=O)cc1 14945192 YKRMRHXPPNGGCU-UHFFFAOYSA-N 357.413 4.549 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393676 YEULSAXOJYTLCB-VFEAMHBCSA-N 359.554 4.739 0 1 FJAF CCC(=O)Nc1nc2nc(C)ncc2cc1-c1c(Cl)cccc1Cl 27332223 ICGHWYYKLBUJKR-UHFFFAOYSA-N 361.232 4.656 0 1 FJAF Cc1ccc(Oc2nc(Nc3ccc(Cl)cc3)c(=O)n(C)c2C)c(C)c1 28103780 RFAICXZBCMSHAT-UHFFFAOYSA-N 369.852 4.895 0 1 FJAF Nc1cc[n+](Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1 29410744 PAVUZVNSWVEHPL-UHFFFAOYSA-O 367.472 4.773 0 1 FJAF Cc1ccccc1-n1c(-c2ccccc2)cs/c1=N\C(=N)c1ccccn1 101610293 IEOLZKSAJMNBDU-RDUAFVIISA-N 370.481 4.835 0 1 FJAF COc1cc(Br)c(-c2cc3cccc(OC)c3o2)cc1OC 299869499 UTVSCZSRZBUCLI-UHFFFAOYSA-N 363.207 4.888 0 1 FJAF Cc1cc(Br)cc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081431 VZJAMACCSJTSOO-AWEZNQCLSA-N 363.642 4.963 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2ccccc2C(F)(F)F)C1)CC4 587210372 QGKPMTSWSHLERP-MRXNPFEDSA-N 367.370 4.999 0 1 FJAF Cc1ncc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587379606 YYCIFJJKKJUROE-UYAOXDASSA-N 369.417 4.571 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1sc4ccccc4c1C)[C@@H](C2)C3=O 587452904 OEWSSCMGZOYEHJ-BTYIYWSLSA-N 350.439 4.881 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc2c(c1)CCC2 587656981 OPFBYDKCKKTIHW-UHFFFAOYSA-N 374.390 4.820 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3ccncc23)N1 587779071 PYNKAKIIOCITMC-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3ccccc3[nH]2)N1 587806130 VAAJAIRIBUOGSJ-JEOXALJRSA-N 373.269 4.867 0 1 FJAF CSC(C)(C)C[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587841215 QRDZNVFRWLLIKV-QLJPJBMISA-N 360.336 4.869 0 1 FJAF Cc1ccnc2c1CCN[C@H]2c1cc2c(Br)cccc2s1 963070868 HEJOAPLYDGOFLV-KRWDZBQOSA-N 359.292 4.602 0 1 FJAF COc1ccc(/C=C/c2nc3ccccc3c(=Nc3cccc(O)c3)[nH]2)cc1 1857610890 NWSMUIXDBODHHY-SDNWHVSQSA-N 369.424 4.680 0 1 FJAF COc1cc(O)c(Cc2ccccc2O)cc1C(=O)CCc1ccccc1 2356329239 YYZXCFXBSHAXSS-UHFFFAOYSA-N 362.425 4.513 0 1 FJAF NC(=O)[C@@H](SCc1ccc(Cl)c(OC(F)(F)F)c1)C1CCCC1 2382218245 LCZUCLRZIIFBGW-ZDUSSCGKSA-N 367.820 4.516 0 1 FJAF CC(C)c1ccc(O[C@@H](Cc2ccc(Br)cc2)C(=O)O)cc1 13604708 JBOONSRGVKVSGX-KRWDZBQOSA-N 363.251 4.647 0 1 FJAF COc1cc2c(cc1O)-c1n[nH]c(-c3ccc(-c4ccc(O)cc4)cc3)c1C2 28952757 DZQSMOOQLBUCRF-UHFFFAOYSA-N 370.408 4.735 0 1 FJAF CCOc1ccccc1CNc1cc(-c2cc(Cl)ccc2OC)ncn1 82161020 PSAMGWQCZQRJSJ-UHFFFAOYSA-N 369.852 4.816 0 1 FJAF Clc1ccc(-c2cnc3cc4c(cc3n2)[C@@H]2CNC[C@@H]4C2)c(Cl)c1 101029314 DARDPWIATXWZOT-QWRGUYRKSA-N 356.256 4.778 0 1 FJAF NC1=NC[C@@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169325810 IUQUPAYQCWKZPU-ULZWPUQSSA-N 363.549 4.967 0 1 FJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@@]12CC(=O)O[C@@H](C1)[C@H](O)CC2=O 238733687 RHVATUPILPBCCA-ZUJHPNSISA-N 374.521 4.821 0 1 FJAF CCCCOc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 299831176 XZHJUGBAGVOATG-JLHYYAGUSA-N 368.429 4.502 0 1 FJAF O=C1COc2ccc(/C=C3\c4ccccc4COc4cc(F)ccc43)cc2N1 584905238 IGQHIUNZKLGBMZ-DJKKODMXSA-N 373.383 4.638 0 1 FJAF in-vitro CSCC(C)(C)c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586969237 PTMJETADJOMAPV-UHFFFAOYSA-N 357.317 4.753 0 1 FJAF O=C1c2ccccc2-c2cc([C@@H]3CC3(Cl)Cl)nc3ccc(O)c1c23 586987043 YCTFJZSZITYYOU-LBPRGKRZSA-N 356.208 4.813 0 1 FJAF O=C(CCCc1nc2cc(Cl)cc(F)c2[nH]1)c1ccc(Cl)cn1 587082291 NHCWJZLGWDBKBL-UHFFFAOYSA-N 352.196 4.609 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2cc(F)c(F)c(F)c2[nH]1)C1CCCC1 587223458 BSHMWJPOGPJOCW-CQSZACIVSA-N 369.387 4.736 0 1 FJAF CC[C@]1(c2ccc(OC(F)(F)F)cc2)CC(=O)c2cc(C)cc(N)c2O1 587380802 AUVNXEKBWBSEFQ-GOSISDBHSA-N 365.351 4.747 0 1 FJAF COc1cccc(-c2cccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 587440956 DKMFUIPVQIIZBJ-HYBUGGRVSA-N 372.420 4.860 0 1 FJAF CN(C)/C=C/[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501089 FKYOHMTUHSBJOR-ZVQQDINOSA-N 365.448 4.641 0 1 FJAF Cc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C(=O)O 587528946 GZDYNOUZHYOWGA-FQEVSTJZSA-N 350.414 4.587 0 1 FJAF COc1ccc2nc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2c1 587534232 BVXDMCDCBDHRNH-SFHVURJKSA-N 365.454 4.890 0 1 FJAF C[C@]1(C2CCC(F)(F)CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559205 ZNXUYBVRVWYSQM-YLJYHZDGSA-N 374.383 4.938 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12C[C@H]1C[C@@H]2[C@H]2CCC[C@H]21 587601381 DAGUIFXYYOSUSH-NUSWIBGLSA-N 362.425 4.549 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2CC2(Cl)Cl)N1 587698127 YHNHYRJMXXXYLU-IDALBHDPSA-N 367.089 4.531 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715662 IJHVPXZRYLTYQB-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF Fc1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587781891 YPEIJEHFPPXLMO-DAXSKMNVSA-N 361.214 4.695 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C2CC2)N1 587815374 LXZLEOCHVAEHQV-XCLFUZPHSA-N 374.297 4.970 0 1 FJAF CC(C)Oc1ccc(OC(C)C)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587944087 AUWXZWYRMSGECK-INIZCTEOSA-N 368.380 4.685 0 1 FJAF COC(=O)c1cc(Br)c2[nH]c(CC3CCCCCC3)nc2c1 587960087 FGVYOGIOQVTANO-UHFFFAOYSA-N 365.271 4.625 0 1 FJAF Cc1ccc([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)nc1 963096441 NKYZFZXNZJNFAN-XUZZJYLKSA-N 358.460 4.842 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(NC(=O)CC)cc1 963235393 WCUQBLIQRWHHLJ-HXOBKFHXSA-N 350.506 4.955 0 1 FJAF O=Cc1c(-c2cc3cc(Br)ccc3oc2=O)[nH]c2ccccc12 1857766036 OUJSGXLWGCQDSO-UHFFFAOYSA-N 368.186 4.516 0 1 FJAF S=C(SCc1nc2cc(Cl)c(Cl)cc2[nH]1)N1CCCCC1 1911586129 UUPAWJUDOJADDI-UHFFFAOYSA-N 360.335 4.874 0 1 FJAF Cc1c(Sc2ccc(Cl)cc2)c2cc(Cl)ncc2n1CC(=O)O 35996454 DEKLQJYMIZJDHC-UHFFFAOYSA-N 367.257 4.887 0 1 FJAF COc1cc(/C=C/Cc2cc(O)c3ccccc3c2)cc(OC)c1OC 40565738 QZAVMAFBOIPPAD-SOFGYWHQSA-N 350.414 4.827 0 1 FJAF C=C1[C@H]2CC[C@@H]3[C@](CC[C@H]4[C@@](C)(C(=O)O)CCC[C@]34C)(C2)[C@H]1OC(C)=O 82123399 AQBQBBLJTDSVLC-BSMDRJKDSA-N 360.494 4.582 0 1 FJAF COc1cc(CNc2cc(-c3ccc(C(C)C)cc3)ncn2)cc(OC)c1 82167611 YQIOGZXUXRIZOV-UHFFFAOYSA-N 363.461 4.896 0 1 FJAF CCC(CC)CN1C(=O)S/C(=C\c2ccc(O)c(C(F)(F)F)c2)C1=O 84712251 KQXTUMIUQMDJET-ZSOIEALJSA-N 373.396 4.884 0 1 FJAF CCOc1ccc(-n2cnc3cc(NCc4ccc(C)cn4)ccc32)cc1 95584251 USTOHSZJWICWQM-UHFFFAOYSA-N 358.445 4.740 0 1 FJAF Cc1ccc([C@@H]2N(C)c3ccccc3C(=O)N2c2ccccc2F)s1 95585459 OXNJNBSKIGARTB-LJQANCHMSA-N 352.434 4.991 0 1 FJAF CN1CCC(=C2c3ccccc3C3=C(c4ccccc42)[C@H]2C=C[C@H]3O2)CC1 138392051 VMXFATFPJHNDDN-FGZHOGPDSA-N 353.465 4.776 0 1 FJAF Fc1ccc(CNc2nc(N3Cc4ccccc4C3)nc3ccccc23)cc1 141492868 CGNPCVMWUDTJPC-UHFFFAOYSA-N 370.431 4.901 0 1 FJAF CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4cc(C)cs4)oc3c2)[C@@H]1C 168944769 ZJYUCOKOJKKXOX-TZMCWYRMSA-N 367.474 4.751 0 1 FJAF Oc1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccccc2)n1 169726286 JBPRGFOBDNXFFR-MRXNPFEDSA-N 355.850 4.858 0 1 FJAF C/C=C(/C)C(=O)O[C@H]1CC[C@@H]2Cc3occ(C)c3[C@@H](OC(C)=O)[C@]2(C)[C@H]1C 238734159 LJMVPNYZXHUHTL-RRETVYCQSA-N 374.477 4.679 0 1 FJAF CO[C@H]1O[C@H](OC)[C@@H]2/C1=C\C/C=C(\C)C[C@@H](O)[C@H]2[C@H](C)CCC=C(C)C 238768298 HHOTZDHXDANUOI-VXYWOERYSA-N 364.526 4.604 0 1 FJAF Sc1nnc(C2=C(Cl)c3ccccc3CCC2)n1-c1ccccc1 299864383 MJHPAKCXNVOZTF-UHFFFAOYSA-N 353.878 4.999 0 1 FJAF Cc1oc2c(c1-c1nc3cc(C(F)(F)F)c(F)cc3[nH]1)C(=O)CCC2 586902641 DYQPKGQPKQKPDO-UHFFFAOYSA-N 352.287 4.808 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048681 JHAPPOXXQGBLSN-XQJJYNOISA-N 361.232 4.865 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587083931 DCNAFULNXJOSNH-UHFFFAOYSA-N 373.843 4.922 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2c(Br)ccnc2[nH]1 587108910 IVQMVHWDHWYKTJ-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587170551 DDLUEMSPWIJJLZ-CYBMUJFWSA-N 372.465 4.703 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2cnc3ccccc3c2[nH]1)C1CCCC1 587227562 ZXSPWAZAZHWHIC-QGZVFWFLSA-N 366.465 4.867 0 1 FJAF CCc1ccccc1-n1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587431420 OMOLWNDUFRXJAR-JPYJTQIMSA-N 359.425 4.537 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccs1)CC2=O 587494282 KPTABAJKVCNIGQ-MRXNPFEDSA-N 354.431 4.503 0 1 FJAF O=C1C[C@H](c2ccnn2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587507645 NPGSUZMAXZMXBG-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF COC(=O)CC[C@@]1(C)CCCC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587523442 IXGKJOANOCIGGA-PKTZIBPZSA-N 370.489 4.803 0 1 FJAF CCC[C@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619780 ZDPUCJXCEVOKLF-DENIHFKCSA-N 364.397 4.728 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2F)N1 587714800 BPJRAOVNHHPWTD-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(F)c2)N1 587735564 XTOKWJFNLCGOJS-BBATYDOGSA-N 366.249 4.719 0 1 FJAF CCOc1cc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)ccc1C 587778785 TZMWXTJBFOPQTR-UHFFFAOYSA-N 371.309 4.986 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587783317 NRQAXBBFCMSZMC-UHFFFAOYSA-N 372.424 4.524 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1scc(C)c1Cl 587872781 QMHGVQHLLPHFAO-UHFFFAOYSA-N 364.829 4.800 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC(C)C)cc2[nH]1 587927457 QXBNFODTZGPDQT-INIZCTEOSA-N 354.450 4.909 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3ccc(C(C)=O)cc3[nH]2)cc1 587938023 RVWZTTRKIVGJRO-JOCHJYFZSA-N 356.425 4.954 0 1 FJAF Cc1ccnc2c1CCN[C@]2(CCc1ccc(F)cc1)c1cccc(F)c1 963074712 XVWJFWWEPUFHLI-HSZRJFAPSA-N 364.439 4.690 0 1 FJAF O=c1oc2ccccc2c2nn(Cc3ccccc3)c(Cc3ccccc3)c12 1857641061 KLDCAVYSPIXJLQ-UHFFFAOYSA-N 366.420 4.782 0 1 FJAF CCC=CC[C@@H](O)C=CC=CC=C[C@@H](O)CC=CCCCCCC(=O)O 2356506829 QJJOLZOJRISMDP-RTWAWAEBSA-N 362.510 4.715 0 1 FJAF CC1(C)CCC[C@@]2(C)[C@@H]3C(=O)c4c(cccc4C(=O)O)O[C@]3(C)CC[C@H]12 2356541411 BRJRCUMHFKMNEZ-ZOIWCPRRSA-N 356.462 4.961 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3cccc(OC(F)F)c3)nc2c1 2382259659 QGRJSFQOKHUSCT-RUZDIDTESA-N 367.288 4.666 0 1 FJAF O=C(Nc1nccs1)c1cc2sccc2n1Cc1ccc(F)cc1 1324331 MHFZZDTXJQARDK-UHFFFAOYSA-N 357.435 4.599 0 3 FJAF aggregator C[C@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 10450446 JJOYQEFIAHUYNK-LLVKDONJSA-N 367.232 4.501 0 1 FJAF COc1cccc2c1[C@@H](CCCN1CCN(c3ccccc3)CC1)CCC2 13760534 ULGUNJHZINAMQR-OAQYLSRUSA-N 364.533 4.718 0 1 FJAF COc1ccc2c(c1)c([C@@H](C)C(=O)O)c(C)n2Cc1ccc(Cl)cc1 27857341 XAOKFPFUIOEWQJ-GFCCVEGCSA-N 357.837 4.848 0 1 FJAF CC(C)=C(C)[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954212 NNCLEHDMDOGBTQ-CYBMUJFWSA-N 353.171 4.976 0 1 FJAF Cc1cc(NC(=O)CC2CCCC2)ccc1N1CC[C@H](N2CCC[C@@H]2C)C1 59262437 YYOJXELLFPQIHG-RXVVDRJESA-N 369.553 4.577 0 1 FJAF C[C@H](Cc1ccccc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 95605047 ZDTMGMWJGMCODV-OAHLLOKOSA-N 357.413 4.707 0 1 FJAF CCc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc1 103993551 SOKODUMBRZTPQV-LJQANCHMSA-N 353.462 4.866 0 1 FJAF CCCOc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)[nH]c(=O)c2)cc1 141604737 SSGMPCMIQJBZMH-UHFFFAOYSA-N 365.429 4.515 0 1 FJAF CCc1ccc2c(Cc3c(-c4ccc(C)cc4)[nH][nH]c3=O)c(O)ccc2c1 169311769 VLBFYIDXZARYBY-UHFFFAOYSA-N 358.441 4.690 0 1 FJAF Oc1cccc(CCCCc2nc3cc(F)cc(Br)c3[nH]2)c1 586895889 CNVSGIRNMPOKLQ-UHFFFAOYSA-N 363.230 4.736 0 1 FJAF CC(C)C(=O)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586992705 YDNCBLUSAYCMSA-INIZCTEOSA-N 371.436 4.797 0 1 FJAF COc1ccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c(Cl)n1 587083726 IDYMEBWDFPWUHE-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF Oc1c(Br)ccc2nc(Cc3ccccc3C(F)(F)F)[nH]c12 587096415 ATLLLSJYOZFTHV-UHFFFAOYSA-N 371.156 4.641 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(C(F)(F)F)c(F)c1)O2 587383040 VBHJLVJMRCSJAE-QGZVFWFLSA-N 371.305 4.755 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(F)c(F)c(F)c1F)CC2=O 587465257 GADVIBBSZWNZGZ-LJQANCHMSA-N 368.326 4.782 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)c(F)cc(F)c1F)CC2=O 587467310 SCUBDBFIQCMAHV-AWEZNQCLSA-N 354.299 4.608 0 1 FJAF Cc1ccc(/C(=C\N(C)C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511711 MZIHCOLWAWBQIR-QFVBLGFASA-N 361.485 4.810 0 1 FJAF Cc1cccc([C@]2(c3cnc[nH]3)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587524179 JKPLALGEKAOBSW-DEOSSOPVSA-N 372.468 4.814 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1cccc(Cl)c1 587656576 GLTHEJJJRBNORO-UHFFFAOYSA-N 364.807 4.904 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)cc(Cl)c2)N1 587696234 DQBYNMRLCFKVHX-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2CCC(F)(F)CC2)N1 587720613 NPZZGFVNANKVGP-BJOHPYRUSA-N 362.233 4.989 0 1 FJAF CC(C)n1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587758307 WNJXAGDRXKFGTR-GTNSWQLSSA-N 351.263 4.594 0 1 FJAF COc1ccc(C=O)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587786564 HLZBAYLXAUWYPV-UHFFFAOYSA-N 354.715 4.723 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccco2)N1 587830433 TUQQOFBPZQYCPT-ULHHMQLCSA-N 350.231 4.644 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587844100 MDPNPXXIXGYSPU-JDNHERCYSA-N 354.288 4.890 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(C3CC3)n2)N1 587850969 GYGOSVHHMNIKMY-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2cccs2)nn1 587871833 CYSYOVUCCPTHKT-UHFFFAOYSA-N 366.421 4.596 0 1 FJAF COc1ccc(Oc2nc(NCc3occc3C)c3ccccc3n2)cc1 653766926 FWKIVYMJTMZJBY-UHFFFAOYSA-N 361.401 4.944 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1ccc(O)cc1 653887477 CNCIENOCRUMFQU-AKIFATBCSA-N 356.425 4.533 0 1 FJAF CO[C@@H](C)c1ccc([C@H]2c3cccc(Br)c3CCN2C)cc1 963270612 QBVGKAQETMOJTB-DJJJIMSYSA-N 360.295 4.734 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@@H]2C1=C(Cl)c2ccccc2CC1 963640484 WDWIXUQFZFPQJR-MCMMXHMISA-N 369.892 4.875 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@H]54)C3=CC[C@H]12 2356795765 MKVKXBDCGXCJJX-UCZHLCJVSA-N 368.517 4.864 0 1 FJAF C[C@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1 2382255321 YRPGMYKVSXJQEM-ZDUSSCGKSA-N 366.852 4.709 0 1 FJAF O=C(NCc1ccco1)c1cccc2c(-c3ccc(F)c(F)c3)coc12 61906223 GNWJPYMROHTPHL-UHFFFAOYSA-N 353.324 4.901 0 3 FJAF Cc1ccc(-n2cnc3cc(C(=O)NCc4ccco4)ccc32)cc1Cl 3025712 SHILSDBSTWSGQZ-UHFFFAOYSA-N 365.820 4.510 0 1 FJAF Cc1ccc2oc(=O)c3cc(C(=O)Nc4cccnc4Cl)sc3c2c1 4939598 BGTUKBRVURXPMU-UHFFFAOYSA-N 370.817 4.617 0 1 FJAF C[C@H]1C=C2N(C)C(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@@H]21 26388151 SSFLLJHYNMDQDP-OSKMNGBNSA-N 357.538 4.770 0 1 FJAF CC1(C)CCC(C)(C)c2cc([C@H](O)COc3ccc(C(=O)O)cc3)ccc21 34368240 UKOIJXMXVPKISB-HXUWFJFHSA-N 368.473 4.846 0 1 FJAF C[C@]12CC(=O)[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CC=C2c1cccnc1 36323105 QOEXTXXKOOEPKU-HMFSDGQBSA-N 361.485 4.786 0 1 FJAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cccc(F)c3)c12 38318028 WMGJIGRCEZYLFX-UHFFFAOYSA-N 350.301 4.789 0 1 FJAF Cc1ccc(C[C@@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45301183 LLOBTJUATYGLGK-BEFAXECRSA-N 351.412 4.576 0 1 FJAF CC(C)=CCOc1ccc(/C=C/c2nnc3c4ccccc4cnn23)cc1 66111620 VFGQUUPNQFRWHZ-FMIVXFBMSA-N 356.429 4.793 0 1 FJAF CC1(C)[C@H]2Cc3c(O)cccc3[C@]1(C)CCN2C(=O)[C@@H]1CC2CCC1CC2 68152691 CVKMHBPGKJDEPZ-PTYRYFLWSA-N 367.533 4.659 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)cc1 101891314 WAATZNBFXLCSHV-HNNXBMFYSA-N 367.474 4.817 0 1 FJAF Cc1cccc(Cn2cc(/C=C3/[C@H](O)C4CCN3CC4)c3cc(C)ccc32)c1 102429974 FHNBDDZCOVNESU-RVEICJNFSA-N 372.512 4.734 0 1 FJAF COC(=O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C2(O)CCC2)cc1 117786993 JTMUZSZFGDYVCC-WOJBJXKFSA-N 372.505 4.634 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586884723 AJTZVMHXMKIHPU-ZBEGNZNMSA-N 350.340 4.607 0 1 FJAF CCCCCOc1cc2nc([C@](C)(O)C(C)C)[nH]c2cc1Br 586892282 WHVHDIRWQXLOJG-QGZVFWFLSA-N 369.303 4.758 0 1 FJAF Oc1ccccc1C1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CC1 586897218 VKRGWNNPZUQWFE-UHFFFAOYSA-N 350.365 4.960 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(C(F)(F)F)cc2[nH]1 586915085 AHDSWHWOXNOELK-AUUYWEPGSA-N 374.362 4.798 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2ccc3c(c2[nH]1)CCCC3 587109000 KSVNMVPBYXYHBI-UHFFFAOYSA-N 360.335 4.826 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C2=C(C3)OCOC2)c1 587367067 YALPIRZBVJVRNY-UHFFFAOYSA-N 371.392 4.928 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)O2 587402471 DHZBSHIUXPLKAV-NRFANRHFSA-N 373.408 4.503 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Br)c(C)o1)CC2=O 587459009 VTOCPHMXYUWZGR-INIZCTEOSA-N 365.223 4.715 0 1 FJAF O=C(O)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587504838 IHSHHQUGJZKNLL-KRWDZBQOSA-N 356.805 4.624 0 1 FJAF CCC[C@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587509547 DHASRKXHPACTSP-JOCHJYFZSA-N 373.493 4.594 0 1 FJAF CCOC(=O)C(CC)(CC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526441 XQGYZJFPFQPASS-NRFANRHFSA-N 358.478 4.659 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1F 587558384 RPYVYTUUJVDJHQ-UZLBHIALSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(Cl)c1 587558480 SLBVQAJYXYRWNR-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF C[C@@H]1CCc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603758 PFBZTROZUWBAJI-FVFQAYNVSA-N 372.420 4.832 0 1 FJAF Cc1ccccc1OC[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587800654 HHOQIPZTOHYQRS-PXAZEXFGSA-N 364.258 4.551 0 1 FJAF C/C=C/[C@]1(c2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587816240 VORCLYZLTGXRAQ-PGBAVMSISA-N 360.270 4.942 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587819742 MWEOBJNUZVJZFV-JWYKHVQJSA-N 352.291 4.774 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1cccc(C)c1 587864752 ONTUBIUQXZOOQX-UHFFFAOYSA-N 374.362 4.965 0 1 FJAF O=C(Nc1n[nH]c(-c2ccccn2)c1C1CC1)c1c(Cl)cccc1Cl 653801605 KKYZABPCOHJIQV-UHFFFAOYSA-N 373.243 4.908 0 1 FJAF Oc1ccc2c(c1)[C@H](C1=C(Cl)c3cc(Cl)ccc3SC1)NCC2 963340827 IUVLVPMMQSXALE-GOSISDBHSA-N 364.297 4.988 0 1 FJAF COc1ccc(CC(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)cc1 1857595619 QAMLKTXZMFYSTG-UHFFFAOYSA-N 372.424 4.993 0 1 FJAF Oc1ccc(-c2ccc(CNCCc3c[nH]c4cc(F)ccc34)o2)cc1 1857615736 MZAZKADMJHOUAD-UHFFFAOYSA-N 350.393 4.605 0 1 FJAF COc1cccc(C(=O)N(C)c2ccc(Oc3ccc(O)cc3)c(C)c2)c1 1857632729 HITNKVBXPVDQIE-UHFFFAOYSA-N 363.413 4.778 0 1 FJAF CC[C@H](C)Oc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857774036 SHNNXCOMZKBYPM-ZDUSSCGKSA-N 354.402 4.655 0 1 FJAF COc1cc2c(cc1O)[C@]1(C)[C@@H](CC2)Cc2c(ccc(OC)c2OC)[C@H]1C 2356328752 FUPJEWGULFOIHV-CYULLINESA-N 368.473 4.598 0 1 FJAF COC(=O)[C@H]1N=C1C=CCCCCCCCCCC=CBr 2356404235 HWTOGRCLPJNRKP-INIZCTEOSA-N 356.304 4.958 0 1 FJAF COC(=O)C=C(C)CC[C@@H]1[C@H](C(=O)OC)CC[C@@H]2C(C)(C)CCC[C@@]12C 2356587031 WDMMGTWRGDEGNH-IDVKNYFZSA-N 364.526 4.918 0 1 FJAF C[C@H](NC=O)[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 13587851 UVZXIKHRPFCSKF-NLGFINLOSA-N 374.613 4.710 0 1 FJAF biogenic CCCCC[C@@H](O)CCC[C@@H](Cc1ccc(CCC(=O)O)cc1)C(C)=O 27096340 CIULJYUYIVWYLS-LEWJYISDSA-N 362.510 4.563 0 1 FJAF CCCCN[C@@H](c1ccc(O)cc1)[C@@H](NCCCC)c1ccc(O)cc1 27884510 DKBDIHXAMHKFKL-VXKWHMMOSA-N 356.510 4.660 0 1 FJAF COc1ccc(NC(=O)N[C@H]2CC(C)(C)Oc3ccc(Cl)cc32)cc1 38267256 MMYFREDJJQHACN-INIZCTEOSA-N 360.841 4.773 0 1 FJAF CC(=O)N1N=C(Nc2nc3ccccc3s2)C[C@@H]1c1ccc(Cl)cc1 45254813 WDNUTPYREZHSTO-OAHLLOKOSA-N 370.865 4.669 0 1 FJAF CC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@@H]1c1c[nH]c2ccccc12 49803799 RDUOBBASCFAZAE-NRFANRHFSA-N 363.848 4.797 0 1 FJAF c1ccc(C(c2ccccc2)[C@@H]2CC[C@H](NCc3cccnc3)CO2)cc1 71319423 VXBABFFANNWQMK-GOTSBHOMSA-N 358.485 4.551 0 1 FJAF CCCCc1ccc(NC(=O)c2nnc(Nc3ccccc3F)o2)cc1 84722982 ULADDUDXUUVSTN-UHFFFAOYSA-N 354.385 4.547 0 1 FJAF COc1ccccc1N1C(=O)c2ccccc2N(C)[C@H]1c1ccc(C)s1 95581394 TXYQJLVFBKESFB-HXUWFJFHSA-N 364.470 4.861 0 1 FJAF CCNC(=O)/N=c1/[nH]c2ccc(-c3ccccc3Oc3ccccc3)cc2[nH]1 95604146 RAZQMHOATYACAV-UHFFFAOYSA-N 372.428 4.586 0 1 FJAF c1cc([C@H]2CC[C@@H](N3CCC3)CC2)ccc1OCCCN1CCCCC1 101437354 BUPDKQVYUKWVSM-AQYVVDRMSA-N 356.554 4.673 0 1 FJAF O=C1CS[C@H](c2cc3ccccc3nc2S)N1c1ccccc1Cl 103196428 ZSCOVLYHKIBPJC-GOSISDBHSA-N 372.902 4.956 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3ccc(Cl)nc3[nH]2)c1 587125768 UKPCVTAFAQJTMX-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF N[C@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587159140 ZVMOHTGBIKFUPM-BDJLRTHQSA-N 367.371 4.655 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1C(F)(F)F)O2 587383544 YGNAXNQYGAHXCM-CQSZACIVSA-N 355.743 4.956 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCN([C@@H](C)c3ccccc3)C1)CC2=O 587474887 IEORWHDFKHOXIN-HJPURHCSSA-N 365.473 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(OC)ccc(C)c31)CC2=O 587476063 CGOMKNBDXXEQPB-HSZRJFAPSA-N 366.457 4.859 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(OC)cc1)(C(C)C)CC2=O 587483079 UQSCOKCNYPXDSP-JOCHJYFZSA-N 354.446 4.870 0 1 FJAF CC(C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600571 OLOFIAMABOEBMA-OFNKIYASSA-N 360.409 4.905 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c(F)cccc2F)N1 587721696 QEYWSCRDBDIQRV-HUTHGQBESA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(c3ccccc3)C2)N1 587819247 UPAQMWPOIYHNEP-UUZUZFRQSA-N 360.270 4.895 0 1 FJAF CCOC(=O)Cc1ccc2nc(/C=C\c3cccc4ccccc34)[nH]c2c1 587968665 NGJKAWPNVOURGT-QBFSEMIESA-N 356.425 4.992 0 1 FJAF COc1ccc2c(c1OC)[C@](C)(C(C)(C)c1ccc(F)cc1)N(C)[C@H](C)C2 962642430 UPUZATZOMZMJOR-IQMFZBJNSA-N 371.496 4.912 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ncc(Br)cc1F 963231288 QHCIBQWEJJLZIE-SGTLLEGYSA-N 363.274 4.729 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC=C5COC(=O)[C@@H]54)C3=CC[C@H]12 2356795766 MKVKXBDCGXCJJX-ZUKRAKCNSA-N 368.517 4.864 0 1 FJAF COc1ccc(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)cc1OC 1608498 BRFOUIGDZGRCOL-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 2483413 JEPFIPLUYYOKCF-UHFFFAOYSA-N 352.837 4.962 0 1 FJAF COC(=O)c1c(C)[nH]c(C)c1C(=O)c1ccccc1CC1CCCCC1 13651711 WUWBHHXRRSUICW-UHFFFAOYSA-N 353.462 4.772 0 1 FJAF CCc1cccc2c(/C=C(\Cc3cccs3)C(=O)O)cc(OC)c(O)c12 27525932 ZIEPTMQDDIPZSG-XNTDXEJSSA-N 368.454 4.889 0 1 FJAF CC(C)=CCC/C(C)=C/CC[C@@](C)(O)[C@H]1Cc2cc(C(=O)O)ccc2O1 39138463 FEWBLKHNHHTXBA-BCVDLSEWSA-N 358.478 4.912 0 1 FJAF biogenic,in-vitro Clc1ccc(CNc2ncnc3c2ncn3C2CCCC2)c(Cl)c1 40380231 KZRRQVBGCZKTQP-UHFFFAOYSA-N 362.264 4.860 0 1 FJAF CN(C)c1ccc(Nc2cc(-c3csc(Br)c3)[nH]n2)cc1 63539464 JQAOLPKLHNHEJX-UHFFFAOYSA-N 363.284 4.710 0 1 FJAF CN1C(=O)[C@H](CN2CCCCC2)C[C@@H]1c1ccc(C2CCCCC2)cc1 96248453 SZBHOSYEPSBGFK-FCHUYYIVSA-N 354.538 4.740 0 1 FJAF O=C1CCCCCCCCCC[C@H]1S(=O)(=O)Nc1ccc(Cl)cc1 103206507 ZXFUKUADXLDZPJ-GOSISDBHSA-N 371.930 4.934 0 1 FJAF COc1cc2cncc(Cc3ccc4c(c3)CCC(C)(C)O4)c2cc1OC 145138645 UYDHQYQWBWJEOH-UHFFFAOYSA-N 363.457 4.946 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(-c3csc4c3CCOC4)[nH]c2c1 587032549 XZUKSBRCSXDGOT-UHFFFAOYSA-N 360.438 4.595 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3ccc(C)c(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587060713 CTIQATWNIZRKBY-QRWLVFNGSA-N 367.880 4.910 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587169478 XKCHYCRHJQOLKJ-SSDOTTSWSA-N 370.609 4.653 0 1 FJAF O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)c1 587205679 CARHWKGDLDFONH-UHFFFAOYSA-N 367.360 4.517 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(/C(=C/N(C)C)c1ccc(Cl)cc1)O2 587376003 BKUUTLGEVMMYAJ-RKCQOLGWSA-N 370.880 4.557 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cccc(Br)c1Cl)O2 587378544 VEDOYJQGHKUIQL-CQSZACIVSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C(F)(F)F)cc1F)O2 587380151 BOEQZWSWSHMCQS-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)cc1F)CC2=O 587465322 HJNLNBGWPKOMLL-KRWDZBQOSA-N 366.335 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1cccc(OC)c1)(C1CC1)CC2=O 587481226 QFAQWOYZTBWPIV-JOCHJYFZSA-N 352.430 4.624 0 1 FJAF CC(C)(c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602578 KCOMIXMHFDNCCD-KNQAVFIVSA-N 360.409 4.700 0 1 FJAF CC[C@]12CC[C@H](C[C@@]13Oc1ccccc1C(=O)[C@@H]3C(=O)c1ccco1)C2 587604295 SEKDQXSGPTUCKT-GCPVUHDESA-N 350.414 4.693 0 1 FJAF CCc1cccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587815894 QZUIDYUPBPBKMR-HXPMCKFVSA-N 362.286 4.948 0 1 FJAF CSc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587845257 DEDWDICWTUGTBP-VXJOIVPMSA-N 372.328 4.995 0 1 FJAF CC(C)c1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587853234 LQDMJKJPWMTLJD-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](C)OC(C)C 587858953 QQIXETFMOWXTSI-LLVKDONJSA-N 371.264 4.709 0 1 FJAF CC(=CCc1c(C)cc(O)cc1O)CCC=C(C)CC[C@H](O)C(C)(C)O 2356545771 ZKCYQOSNPGUGJL-NRFANRHFSA-N 362.510 4.534 0 1 FJAF Cn1c(NCC2CCCCC2)nc2cc(-c3ccsc3)sc2c1=O 61928525 XEQBLLUGQHCLJO-UHFFFAOYSA-N 359.520 4.716 0 3 FJAF Oc1ccc2nc(-c3cccc4c(Br)c(O)ccc34)oc2c1 13583584 NPHLLDMZCRPOSY-UHFFFAOYSA-N 356.175 4.822 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(C)=O 26504132 MEHJFIPYSWVCTE-PPMYUTJDSA-N 374.521 4.814 0 1 FJAF Cc1nn(-c2ccccc2)c(C)c1NC(=O)NCc1ccc(F)cc1Cl 49784781 DTOUNMWXWBKVLW-UHFFFAOYSA-N 372.831 4.603 0 1 FJAF O=C(OCC(F)(F)F)c1cc2c(cn1)[nH]c1ccc(-c3ccco3)cc12 64528232 ZPQLCRIOLZPVJB-UHFFFAOYSA-N 360.291 4.695 0 1 FJAF O=C1Nc2ccc(CNc3ccccn3)cc2[C@H](c2ccc(Cl)cc2)N1 66260131 YYUJODJXSUGNDB-IBGZPJMESA-N 364.836 4.572 0 1 FJAF CC(C)=C[C@@H](O)C/C(C)=C/CCOc1c2ccoc2cc2oc(=O)ccc12 85633104 RAKRMIHGFRITFM-HSUWOCHWSA-N 368.429 4.972 0 1 FJAF biogenic,in-vitro NC1(c2ccc(-c3nc4c(O)cccn4c3-c3ccccc3)cc2)CCC1 113655351 SKFOXLKQCOJVTK-UHFFFAOYSA-N 355.441 4.712 0 1 FJAF CCOc1cccc(Nc2ncc(F)c(Nc3cccc(OCC)c3)n2)c1 114327469 DLRUGPNVOSMDEB-UHFFFAOYSA-N 368.412 4.900 0 1 FJAF O=C(OC1CCCCC1)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 169323698 DLCYSTBNWMOESJ-UHFFFAOYSA-N 363.413 4.810 0 1 FJAF CC(C)(C)[C@@]1(O)CCN2C[C@H]3Cc4ccccc4Cc4cccc(c43)[C@@H]2C1 169337525 DAVHTUSZZYGLKT-JLRUASKGSA-N 361.529 4.845 0 1 FJAF CSc1nn(-c2ccccc2)c2cc(CCC3CCNCC3)ccc12 169706065 YOIFMPWEYIGVGF-UHFFFAOYSA-N 351.519 4.680 0 1 FJAF CC[C@H](C)CCCCCC[C@H](O)CC(=O)N1CCC[C@H]1c1cccnc1 238764607 GJFDABNJIPKXMS-JBACZVJFSA-N 360.542 4.883 0 1 FJAF Cc1cccc(C)c1-c1noc(C)c1C(=O)NCc1c(F)cccc1Cl 299853462 KQZFKLWETYOLPH-UHFFFAOYSA-N 372.827 4.989 0 1 FJAF Cc1cnc(Cl)nc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987453 WNEJJTREGCJFDE-UHFFFAOYSA-N 373.799 4.571 0 1 FJAF Cc1oc(-c2ccsc2)nc1Cc1nc2cc(Cl)c(Cl)nc2[nH]1 587027163 QGHYJFZBPHDAFI-UHFFFAOYSA-N 365.245 4.880 0 1 FJAF Fc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc(N2CCCC2)n1 587177721 VVZYHVBIRBRLIW-UHFFFAOYSA-N 351.212 4.671 0 1 FJAF NCc1cccc(-c2nc3cc(C(F)(F)F)cc(C(F)(F)F)c3[nH]2)c1 587246161 LCIYQCRWDRYVFX-UHFFFAOYSA-N 359.273 4.726 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(C)[nH]c4c(Cl)cccc14)[C@@H](C2)C3=O 587419354 DTOGDBIEGPKWDR-RNODOKPDSA-N 353.805 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)ccc(F)c1F)CC2=O 587465167 BJRMKGQZGHWVAS-IBGZPJMESA-N 350.336 4.643 0 1 FJAF O=C1C[C@@]2(CCOc3ccc(Cl)cc32)Oc2c1ccc1c2CCCC1 587503630 VQMVDFOLLFZQMG-OAQYLSRUSA-N 354.833 4.862 0 1 FJAF C[C@@]1(c2csc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615195 WXFXLMLUXWWEKS-LPHOPBHVSA-N 372.829 4.984 0 1 FJAF O=C(c1ccccc1Cl)c1c(C(F)(F)F)[nH]c2c(C(=O)O)cccc12 587637940 GXJZMPFNEXJTFB-UHFFFAOYSA-N 367.710 4.769 0 1 FJAF CC(C)c1cnc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587852978 JWQJIVRCSYRUAQ-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF COc1ccc(CCCc2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c1 587929461 UQOLSMVIZZWYGT-UHFFFAOYSA-N 361.445 4.612 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3cccc(Br)c3[nH]2)CC1 587971102 SWDMGWKMZNWITK-UHFFFAOYSA-N 369.262 4.755 0 1 FJAF Cc1oc2c(c1C)[C@]1(CCC2)c2ccsc2CCN1Cc1cccn1C 962378664 ZCTMADJETKMOAO-QFIPXVFZSA-N 366.530 4.935 0 1 FJAF c1ccc(-c2ccc(C[C@@]3(COc4cccnc4)CCCNC3)cc2)cc1 1857539846 MVAMSEODAREJMD-DEOSSOPVSA-N 358.485 4.740 0 1 FJAF Clc1ccc2c(c1)CCc1cccnc1C2=C1CCN(C2CC2)CC1 1857621675 AERRKKBSDKIBCD-UHFFFAOYSA-N 350.893 4.894 0 1 FJAF Cc1cc(O)c2c(c1C=O)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@]3(C)[C@H]1C2 2356419169 JDDYDTDIIFQNAG-FJDVCKPCSA-N 370.489 4.628 0 1 FJAF CC(=O)O[C@@H]1CC(C)=CCCC(C)=CCCC2=C[C@@H](OC2=O)[C@@H]1C(C)C 2356609645 IMDXZXMRERRXIF-NJDAHSKKSA-N 360.494 4.899 0 1 FJAF O=C(CCC1CCN(Cc2ccc(F)cc2)CC1)c1ccc2c(c1)CCN2 13737842 IXXWKQBJYPNXDP-UHFFFAOYSA-N 366.480 4.669 0 1 FJAF CCCC[C@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18007042 MVPJEKQXGCAIGL-RBBKRZOGSA-N 368.498 4.890 0 1 FJAF CC[C@H](c1ccc(O)c(N(C)C)c1)[C@H](CC)c1ccc(O)c(N(C)C)c1 40466672 VAVPDGBRUPQPMZ-QZTJIDSGSA-N 356.510 4.917 0 1 FJAF c1ccc(-c2nc(NCCc3[nH]cc4ccccc34)c3ccccc3n2)nc1 96269551 SWRGXCMLOKIKIY-UHFFFAOYSA-N 365.440 4.828 0 1 FJAF NC(=O)/C(=C/c1c[nH]c2ccc(OCc3ccccc3)cc12)c1ccccc1 96921485 MHPAOTWUDNCIRV-LPYMAVHISA-N 368.436 4.773 0 1 FJAF O=c1c(/C=C(\O)c2ccc(F)cc2)nc2ccccc2n1-c1ccccc1 101625147 ALIQSQOSGOASDZ-STZFKDTASA-N 358.372 4.581 0 1 FJAF Cc1cccc(N2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 103267140 WUFHGKMYAXPUDT-UHFFFAOYSA-N 370.496 4.667 0 1 FJAF Nc1ccnc2[nH]c(-c3csc(-c4cc(Cl)cc(Cl)c4)n3)nc12 587015635 TXTDFMWGPCURNI-UHFFFAOYSA-N 362.245 4.637 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cc(Br)ncc2[nH]1 587062851 XFBKXLKELOLIHV-LBPRGKRZSA-N 366.646 4.904 0 1 FJAF Clc1ccc(C2=C[C@H](c3nc4c(Cl)cnc(Cl)c4[nH]3)ON2)cc1 587077519 VQSJPKZNIZCKOM-LLVKDONJSA-N 367.623 4.535 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(F)c(Br)ccc3[nH]2)n1 587080612 RFPBNBGZBWJQHS-ZETCQYMHSA-N 371.641 4.952 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OCC1CC1)O2 587379563 VSGWULDNAHSGIU-LJQANCHMSA-N 357.837 4.726 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OC(F)(F)C(F)F)O2 587381155 CHXVYYJEOQETCE-HNNXBMFYSA-N 369.314 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)ccc1OC)CC2=O 587462673 QKYQJTDVGMOIAW-FQEVSTJZSA-N 360.837 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@@H]1N1CCCCCC1)CC2=O 587474845 KKRUTYAFJXADLQ-JTHBVZDNSA-N 371.521 4.867 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(OCC)c(OC)cc1C)CC2=O 587482328 SLXNBNLQMXAVSU-LJQANCHMSA-N 370.445 4.767 0 1 FJAF O=C1C[C@H](c2ccc(C(F)(F)F)cc2O)Oc2c1ccc1c2CCCC1 587502816 BKBGUVZMULLLSA-GOSISDBHSA-N 362.347 4.996 0 1 FJAF CN(C)/C=C/[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532754 SIWXBOQROZNDST-VIOKTNGOSA-N 353.487 4.563 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCC[C@@H](C1CC1)C2 587603291 LNHUYYGBQNDSOE-MPHOGZCYSA-N 350.414 4.693 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccsc1Cl 587611644 HHXHIMNHQDSGJB-RHSMWYFYSA-N 358.802 4.810 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccc3[nH]2)N1 587808366 ZDANJJGMOUKITH-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587819147 LJLAMZPFVKMURF-PAKRVPSDSA-N 352.291 4.774 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)c(Cl)cc1O 1772588709 GTKGTEDQYWBEJM-UHFFFAOYSA-N 350.123 4.970 0 1 FJAF CCOc1cccc(-c2cccc([C@H](CC(=O)O)c3nccs3)c2)c1 1772608333 IYMYXPYGXAUPFM-SFHVURJKSA-N 353.443 4.815 0 1 FJAF COC(=O)C/C=C\[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 3965532 ZNXUGWNPKPHYLU-JWLIFSNXSA-N 369.299 4.746 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)c1)N1C[C@@H]2CCCN2c2ccccc21 8602776 UFIGIMFZRXDRGU-HNNXBMFYSA-N 361.367 4.726 0 1 FJAF aggregator c1ccc(-c2cc3nc(N4CCCCC4)nc(N4CCCCC4)c3[nH]2)cc1 13834947 NNJKUCYPSZDHCK-UHFFFAOYSA-N 361.493 4.606 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@]1(C)CC[C@H](C)[C@@]2(C)CC[C@@H](C)CC(=O)O 14928420 RGIHYDMQKFVDLN-VSRNGJBKSA-N 350.499 4.829 0 1 FJAF biogenic Cc1cc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)ccc1F 28959801 GIEDFHMKWZKURX-UHFFFAOYSA-N 372.403 4.587 0 1 FJAF CCc1c([C@@H](C)c2c(F)cccc2F)nc(S[C@H](C)CC)[nH]c1=O 169352247 MLMDHCXMTSRTJR-MNOVXSKESA-N 352.450 4.653 0 1 FJAF CCOCc1ccc(-c2nc3cc(Cl)c(OC(F)(F)F)cc3[nH]2)o1 586903734 UBMXHOQHDRRFJN-UHFFFAOYSA-N 360.719 4.911 0 1 FJAF COc1ccc2nc(CSc3nccn3-c3ccc(C)cc3C)[nH]c2c1 586966405 MKRFOGFGZVYEEZ-UHFFFAOYSA-N 364.474 4.666 0 1 FJAF Clc1cccc2c(-c3nc4cncnc4[nH]3)cc(-c3ccccc3)nc12 587082431 NWQGQBFWLXEJCL-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587162403 BSXCKSWDZWOIOK-OAHLLOKOSA-N 369.387 4.965 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cc(Cl)nc(Cl)c3[nH]2)cc1 587201547 RNSVYKOHVOFCNB-UHFFFAOYSA-N 351.237 4.621 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(Cc1ccc(OCC)cc1)CC2=O 587481786 SFRHTXCUFXLNGM-JOCHJYFZSA-N 354.446 4.710 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ccc(OC)cc13)CC2=O 587482490 JDFMYQSQHHUBIG-FQEVSTJZSA-N 351.402 4.541 0 1 FJAF O=C1C[C@@H](c2c(F)c(F)c(F)c(F)c2F)Oc2c1ccc1c2CCCC1 587509872 XSGZWNBPYSDOGK-LBPRGKRZSA-N 368.301 4.967 0 1 FJAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1CO 587521625 ISWHLQMUJPVQGX-QFIPXVFZSA-N 366.457 4.553 0 1 FJAF Cc1ccc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587602076 IQRQVONWOPZAFX-OFNKIYASSA-N 360.409 4.886 0 1 FJAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)c(C)n1 587629571 CDBWJTVICIQGNV-UHFFFAOYSA-N 373.737 4.897 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3cn(CC)nc3C)c(N3CCOCC3)c2c1 587642758 ORILSUKKVNEJKA-HNNXBMFYSA-N 366.509 4.710 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc(F)cc(F)c2)N1 587730057 IGLGGEGHISIGHE-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(COC/C=C/c3ccccc3)nc2c1 587781128 PXEQVJLOZWHQKE-QPJJXVBHSA-N 350.315 4.951 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)s2)N1 587846801 IEHJJTFJXRZGQB-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)CC(F)(F)F 587856544 XUYMJEANRIWULD-UHFFFAOYSA-N 367.154 4.848 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587950515 BMLPWQRLUMSHIO-WDMOLILDSA-N 352.381 4.931 0 1 FJAF COc1ccc(Oc2ccc(C(=O)N(C)c3cccc(OC)c3)cc2)cc1 653785991 IKVRPSMKEQAMRM-UHFFFAOYSA-N 363.413 4.773 0 1 FJAF CC1=C(C)C[C@](C)([C@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962975952 NMVLVTHMFYAIFL-UCLAIMLFSA-N 369.839 4.785 0 1 FJAF CC(C)c1ccc(NC(=O)c2csc([C@H](O)c3ccccc3)n2)cc1 1857602834 LKVXGHYKKXMUBQ-GOSISDBHSA-N 352.459 4.601 0 1 FJAF Oc1c(Cl)cc(NC(=S)Nc2ccc3[nH]ccc3c2)cc1Cl 1857753241 XSYQZAORSLFEAF-UHFFFAOYSA-N 352.246 4.989 0 1 FJAF COc1cc([C@@H]2C[C@@H]3O[C@H](C)[C@@H](C)c4c(C)c(O)cc(c43)O2)ccc1O 2356557633 VLLDKCORIPYEDM-DOGDJGTOSA-N 356.418 4.502 0 1 FJAF CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@@]1(C)CC[C@@H](C(=O)CO)[C@@]1(C)CC3 2356780089 KUZAKLLYYNJTRA-PNZHQKCXSA-N 374.565 4.658 0 1 FJAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)NC12C[C@@H]3CC(C[C@H](C3)C1)O2 2382218075 VFEPKZGVXGFFMY-LJIJBERFSA-N 374.790 4.786 0 1 FJAF Brc1cc2c(cc1Br)CN(c1ccccc1)C2 1618617 AWIBKCNJGCWJJG-UHFFFAOYSA-N 353.057 4.732 0 1 FJAF C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3ncccc23)C1 13437405 GVMKETMAPRBFNP-UHFFFAOYSA-N 369.468 4.884 0 1 FJAF CCCCCc1cc(O)cc(OC(=O)c2c(O)cc(O)cc2CCC)c1 15115372 FOKMFIBQVFELAP-UHFFFAOYSA-N 358.434 4.708 0 1 FJAF biogenic CC(=O)c1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72180964 QKROTMFUMVUCTD-UHFFFAOYSA-N 366.442 4.655 0 1 FJAF Cc1ccc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)o1 96940330 FSOUBXJSRHPTCP-OAQYLSRUSA-N 354.494 4.524 0 1 FJAF O=C(CCCN1CC[C@]2(c3ccc(O)cc3)CC[C@@H]1C2)c1ccc(F)cc1 100706798 RJXSEJFTARFUGN-NFBKMPQASA-N 367.464 4.690 0 1 FJAF COC(=O)N1C[C@H]2[C@@H]1[C@H]1[C@H]3C[C@@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]21 299815402 FZZYGBFGNWPQRI-PJZXNLBJSA-N 357.453 4.560 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@]45CCC[C@H]4[C@H]4CC[C@H]5C4)[nH]c3c2)cc1N 586883898 MRPAJYKMLVIGCS-CFLDLGCGSA-N 358.489 4.862 0 1 FJAF CC(=O)c1ccc2nc(C(C)(C)Oc3ccc(Br)cc3)[nH]c2c1 586995509 IBJQXGNFDAWLEG-UHFFFAOYSA-N 373.250 4.842 0 1 FJAF Cc1cc2c(Br)ccc(-c3nc4ccc(CCO)cc4[nH]3)c2o1 587002801 DPDFBUXFEFQTLD-UHFFFAOYSA-N 371.234 4.582 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccc(C)cc4)s1)[C@@H](C2)C3=O 587452646 SDOHODWVIZDPEM-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c[nH]c3nccc1-3)CC2=O 587462165 NTGHGYQUUNLZKH-MRXNPFEDSA-N 356.809 4.533 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCSc3ccc(F)cc31)CC2=O 587472647 SULBCHKYLYNYGX-HXUWFJFHSA-N 358.434 4.840 0 1 FJAF COc1ccc([C@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587525620 QTPLMJFBAUOVEV-QKKBWIMNSA-N 366.457 4.720 0 1 FJAF C[C@H]1CCc2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)sc2C1 587535082 ICDKXOBXELRFAD-KPZWWZAWSA-N 353.487 4.853 0 1 FJAF O=C1C[C@@H](c2cnc(-c3ccco3)s2)Oc2c1ccc1c2CCCC1 587535157 IRIFQYOYXNDYRG-KRWDZBQOSA-N 351.427 4.988 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)ccc1F 587556070 IRQJPWUDJUWGMM-XLIONFOSSA-N 370.763 4.888 0 1 FJAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c(C)n1 587630207 VOMZBPBGOXRVDC-UHFFFAOYSA-N 373.737 4.735 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ccccc23)N1 587776786 DLZAFRVEPBBFFV-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3[nH]ccc23)N1 587800179 ARKCVVLXVBCVDC-NSPYISDASA-N 373.269 4.867 0 1 FJAF C[C@H]1CCc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824237 VSGSZEVSFDDNDB-MRRFBWAASA-N 374.297 4.948 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1c(F)cc(F)cc1F 587861611 VQNPLFJSQAHAEF-UHFFFAOYSA-N 372.268 4.984 0 1 FJAF COc1ccc(CCCc2nc3cccc(C(F)(F)F)c3[nH]2)c(OC)c1 587928763 KGCFCGDNEVJNTR-UHFFFAOYSA-N 364.367 4.774 0 1 FJAF CC(C)Oc1ccc(OC(C)C)n1-c1cnc(Cc2ccc(F)cc2)nc1 587945425 LKTOTVQHMAKQET-UHFFFAOYSA-N 369.440 4.572 0 1 FJAF O=C(Nc1cnc(Cl)c(Cl)c1)Nc1cnc(Cl)c(Cl)c1 653713238 KLPJVWNLUHNYQG-UHFFFAOYSA-N 352.008 4.734 0 1 FJAF Cc1c(F)ccc2c1[C@](C)(c1cc(Br)cc3cc[nH]c13)NCC2 962142038 DOMQTKWPNUNMJP-IBGZPJMESA-N 373.269 4.787 0 1 FJAF NCc1ccc([C@@H]2CC[C@@]3(C2)NCCc2c(Cl)cc(Cl)cc23)cc1 963110618 QAUDENGTUOTVMV-QRWLVFNGSA-N 361.316 4.761 0 1 FJAF CC(C)(C)CC(C)(C)NC(=O)Nc1nccnc1OCc1ccc(F)cc1 1857655487 ISIYVUXXKYMJIS-UHFFFAOYSA-N 374.460 4.531 0 1 FJAF CC1=C[C@H](OC(=O)C=Cc2ccccc2)[C@]2(C)C=C[C@H](C(C)C)[C@@]2(O)CC1 2356643724 CSTQRRVKUOEJIE-KJBBBAAKSA-N 366.501 4.931 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CCO)CC[C@H]32)C1 2356708153 GDPWXMPUUBHXOS-UGCIQDCYSA-N 362.554 4.959 0 1 FJAF CCCCN1CCN(C2=Nc3ccccc3Sc3ccccc32)CC1 201455636 JBUWEIDYYLGLQK-UHFFFAOYSA-N 351.519 4.647 0 3 FJAF CC(C)c1ccc(N2C(=O)N3CCc4c([nH]c5ccccc45)[C@]3(C)C2=O)cc1 2109853 KXURVZKMLUKHLA-HSZRJFAPSA-N 373.456 4.531 0 1 FJAF biogenic CCCn1c(C23CC4CC(CC(C4)C2)C3)nc2ccc(Cl)cc2c1=O 6040184 QVQMPSALEDQSSB-UHFFFAOYSA-N 356.897 4.928 0 1 FJAF CCCC[C@@H](Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27525143 ZBRSPXQWNWUBRN-HXUWFJFHSA-N 369.461 4.507 0 1 FJAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3cc(F)cc(F)c3)c12 38307620 MGFTWMQMMYULDL-UHFFFAOYSA-N 368.291 4.928 0 1 FJAF CC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1 45289145 WFYZCSNCAWYAKG-UHFFFAOYSA-N 359.408 4.713 0 1 FJAF CCOCCn1c([C@H]2CCCN(C3CCCCC3)C2)nc2ccccc21 49051879 AUCPKYPLGAVYAF-SFHVURJKSA-N 355.526 4.585 0 1 FJAF CCCCc1nc(C=O)cn1Cc1coc(-c2cccc3ccccc23)n1 72185957 UXBAPWVGNJKJTK-UHFFFAOYSA-N 359.429 4.895 0 1 FJAF CCOc1ccc(C[C@H]2CC(c3cccc4ccccc34)=NO2)cc1OC 103213663 MYNBJEWZSMZCSK-SFHVURJKSA-N 361.441 4.983 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(F)cc1 104056376 NVBLATJGJNJOKU-AWEZNQCLSA-N 371.437 4.647 0 1 FJAF COc1c(CC=C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 205742954 DAYHBPLBWJDGSZ-UHFFFAOYSA-N 354.402 4.681 0 1 FJAF OCC12CCC(c3nc4cc(Cl)cc(Br)c4[nH]3)(CC1)CC2 586895737 WOLPDTMZIYSVGM-UHFFFAOYSA-N 369.690 4.563 0 1 FJAF O[C@H]1C[C@@H](c2nc3cc(Cl)cc(Br)c3[nH]2)c2ccccc21 586901265 GLZMTFJIIJZTIJ-RISCZKNCSA-N 363.642 4.548 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 586915964 JJBVLCRLTPRHID-DJJJIMSYSA-N 358.800 4.572 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2cc3c(cc2[nH]1)OCCCO3 587052700 IQULYXOPJUGIFN-UHFFFAOYSA-N 365.820 4.835 0 1 FJAF Fc1cccc(-c2nc3c(Br)ccnc3[nH]2)c1C(F)(F)F 587097659 MMVQDSOWARFUGH-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2cc(Cl)c(Cl)cc2[nH]1 587174898 NQPJZTGPIFUJCM-CYBMUJFWSA-N 363.223 4.733 0 1 FJAF O=C(O)CC[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587205685 CJKDGYOMZLIOJC-ZDUSSCGKSA-N 357.409 4.731 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(Cl)c1O)CC2=O 587467770 RNRSMVCVEUKFIM-MRXNPFEDSA-N 350.773 4.549 0 1 FJAF CCOc1ccc(C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587522022 FTDBWTJDFSAHLH-QHCPKHFHSA-N 350.458 4.931 0 1 FJAF C[C@@]1(c2cc(F)cc(F)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587573045 VCMOKSXRXZUUSN-NQIIRXRSSA-N 368.335 4.547 0 1 FJAF C[C@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602219 XIOFWUNTZBRZAO-QVJSAIJNSA-N 374.436 4.991 0 1 FJAF C[C@@H]1[C@H](c2ccccc2)C[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604671 VFQWYYPRRRRTLR-MOYDTIIBSA-N 372.420 4.916 0 1 FJAF COc1ccc(C)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807184 KBPSBNZIVNEZOG-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](Cc2ccccc2)(C2CC2)N1 587815372 LXZLEOCHVAEHQV-RBZFPXEDSA-N 374.297 4.970 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CC1CCCCC1 587867336 BMTXOHOKMGTZGN-UHFFFAOYSA-N 367.371 4.583 0 1 FJAF COC(=O)c1cccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c12 587955482 KJTQJJDSLLXKNZ-LJQANCHMSA-N 356.425 4.724 0 1 FJAF Cc1cc(C)n(-c2nc(NC3CCCC3)c3c4c(sc3n2)CCCC4)n1 1772582595 WDPLOFVUFFYRPE-UHFFFAOYSA-N 367.522 4.727 0 1 FJAF Cn1cnc(CCCO[C@H](c2ccccc2)c2nc3ccccc3s2)c1 1772649716 TVZWDLHGMNDWBS-HXUWFJFHSA-N 363.486 4.769 0 1 FJAF O=C(NCC1(c2ccc(Cl)nc2)CCCCC1)[C@@H]1CCCc2[nH]ccc21 1857611934 DLQPPPSTGOUNJK-QGZVFWFLSA-N 371.912 4.501 0 1 FJAF CC(C)Nc1ccc2ccn(-c3cncc(-c4ccc(C(=O)O)cc4)n3)c2c1 1857757589 OYFRKTHVILHHEH-UHFFFAOYSA-N 372.428 4.606 0 1 FJAF COc1cc(F)cc(CNc2ccc3n[nH]c(/C=C/c4ccccn4)c3c2)c1 2382261505 WIVNLRJLMBFTMY-FNORWQNLSA-N 374.419 4.888 0 1 FJAF CCOC(=O)N(C)c1c(CC)nc2c(OCCC3CCCCC3)cccn12 61902192 OLBCICGRWPFKHG-UHFFFAOYSA-N 373.497 4.839 0 3 FJAF Cn1c(NC(=O)c2ccccc2)nc(Cc2ccccc2)c1-c1ccccc1 203463913 RTWZKJIORHWYNH-UHFFFAOYSA-N 367.452 4.930 0 3 FJAF Cc1nc(N2CCCCC2)c2[nH]c(-c3ccccc3C(F)(F)F)cc2n1 13834954 TXQLVZVZJUIOFC-UHFFFAOYSA-N 360.383 4.942 0 1 FJAF CCC[C@@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18081899 SKFLRFBMDZILLG-FPOVZHCZSA-N 354.471 4.500 0 1 FJAF O=C1O/C(=C/Br)C[C@H]1C/C=C/c1ccc(C(F)(F)F)cc1 26981921 STMUKKLPPHFXBF-WHCFTDNJSA-N 361.157 4.908 0 1 FJAF O=C1O/C(=C/Br)C[C@@H]1C/C=C/c1ccc(C(F)(F)F)cc1 26981927 STMUKKLPPHFXBF-VREUJKAOSA-N 361.157 4.908 0 1 FJAF Oc1ccccc1C[C@H](c1ccccc1)N1CCN(C2CCCCC2)CC1 39233870 QGRPCPRYJUOSHQ-HSZRJFAPSA-N 364.533 4.626 0 1 FJAF FC(F)(F)c1ccccc1Oc1ccc(OCCN2CCCC2)cc1 71316453 MPJYOPKKQPYVHK-UHFFFAOYSA-N 351.368 4.972 0 1 FJAF CCn1s/c(=N/c2ccc(Br)cc2)nc1-c1ccccc1 103188493 YEVXWGNREBBBQU-FBMGVBCBSA-N 360.280 4.626 0 1 FJAF CCCCSc1nc2n(n1)[C@H](c1cccs1)C1=C(O)CCCC1=N2 103894339 DOVNCABOOABRKH-OAHLLOKOSA-N 360.508 4.903 0 1 FJAF Cc1c(N(CCCF)S(=O)(=O)c2ccccc2)sc2ccccc12 115232483 KZPDHVFSKMAEQH-UHFFFAOYSA-N 363.479 4.765 0 1 FJAF C[C@]12CC[C@H]3[C@@H]([C@@H]4C[C@H]4C4=CC(=O)NCC[C@@]43C)[C@@H]1CC=C2c1cccnc1 148066819 NGPGHBZFVCFLRH-YGVFJQALSA-N 374.528 4.620 0 1 FJAF O=C(c1ccccc1Br)[C@@H](c1ccccc1)c1ccccn1 169333159 DXVCNAZOXZHAMR-SFHVURJKSA-N 352.231 4.859 0 1 FJAF C[C@@H]1C[C@@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 299820270 CYFCTSATGJGIQC-KDOFPFPSSA-N 364.424 4.838 0 1 FJAF Cc1nn2c(-c3nc4ccc(C)c(C)c4[nH]3)c(-c3ccccc3)nc2s1 473114954 POJINMNOHNQEKT-UHFFFAOYSA-N 359.458 4.926 0 1 FJAF Brc1cnc2c(-c3nc4cc5ccccc5cc4[nH]3)cccn12 587007635 LTFIRYSKSRGVKD-UHFFFAOYSA-N 363.218 4.793 0 1 FJAF COc1cccc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc12 587077195 TVUYJAVWUMGWPI-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CCOC(=O)[C@@]1(C)CCc2nc3cccc4c3c(c2C1)-c1ccccc1C4=O 587105582 AENFMYRXNMZMOK-DEOSSOPVSA-N 371.436 4.504 0 1 FJAF Cc1c(Cl)ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114899 YYXQWXRCCANBCM-ZDUSSCGKSA-N 353.775 4.786 0 1 FJAF Fc1ccc(/C=C\c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1 587148040 FFQJSJQLNHLMBX-KXFIGUGUSA-N 353.141 4.913 0 1 FJAF COc1ccc(Cc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(F)c1 587149500 UAZDZYNFQQKPRW-UHFFFAOYSA-N 358.722 4.974 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(Cl)nc2[nH]1 587163265 NUNROCISEZLTSV-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF Cc1cc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2cc1C 587198591 MJXBMZKPWFQOJQ-UHFFFAOYSA-N 370.456 4.706 0 1 FJAF COc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC1CCCC1 587403384 LPWGVBWVBCQFSA-HXUWFJFHSA-N 367.445 4.614 0 1 FJAF CCC[C@@H](OC)c1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587441103 RKBQSZNHFVPTED-DNVFCKCGSA-N 366.457 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccc(OC)cc1)CC2=O 587484233 XGWIFIAQKSCYFI-SPLOXXLWSA-N 354.446 4.566 0 1 FJAF CC(C)(CN1CCCCCC1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587513907 LUMHAKKLVFQUCE-OAQYLSRUSA-N 355.522 4.801 0 1 FJAF C[C@]1(c2nc3c(s2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587534669 DOHUZQGOUUCPQW-OAQYLSRUSA-N 353.487 4.781 0 1 FJAF Cc1c(F)ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587554806 JMSCDAQSQIDORQ-DENIHFKCSA-N 364.372 4.851 0 1 FJAF C[C@]1(c2cccc3c2CCC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602057 IMYRHYQXWNKSKD-ZJSXRUAMSA-N 372.420 4.758 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ccoc12 587614309 BZZZKTJRGFTVRZ-GCJKJVERSA-N 358.349 4.841 0 1 FJAF COc1ccc(OC)c(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)F)c1 587633595 HWTULVLSOMHMCY-UHFFFAOYSA-N 367.298 4.736 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnccc3c2)N1 587779330 QYPSYJPHIUUJQY-NSPYISDASA-N 371.253 4.760 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc(OCc4ccccc4)ccc3O)nc12 587781637 BCHDFDVVCAXZDP-UHFFFAOYSA-N 365.820 4.871 0 1 FJAF CC1=C[C@@]2(CC1)c1ccc3c(c1CCN2C(=O)OC(C)(C)C)NCCC3 961750952 QKBZPJCBLHWRLB-QFIPXVFZSA-N 354.494 4.773 0 1 FJAF Cc1c(F)ccc2c1[C@](C)(c1cnc(-c3ccc(F)cc3)s1)NCC2 962088125 CPWHQGUBZIPNTM-FQEVSTJZSA-N 356.441 4.806 0 1 FJAF O=C(NCc1ccccc1)c1ccccc1-n1cc2ccc(Cl)cc2n1 1772590830 WSQZOISSCBNTKX-UHFFFAOYSA-N 361.832 4.609 0 1 FJAF CC(=O)O[C@H]1CC(C)=CCCC(C)=CCCC2=C[C@@H](OC2=O)[C@@H]1C(C)C 2356609647 IMDXZXMRERRXIF-PWRODBHTSA-N 360.494 4.899 0 1 FJAF O=c1cc(CCCc2ccc(OC(F)(F)F)cc2)oc2cccc(O)c12 2382239409 JBDBIHGLHUUDPV-UHFFFAOYSA-N 364.319 4.573 0 1 FJAF COc1ccccc1-c1ccc2c(c1)[C@](C)(Cc1cccc(F)c1)C(=O)N2 61905911 GWSICYKHJWQCCX-QHCPKHFHSA-N 361.416 4.954 0 3 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@@H]2N3)cc1 13797553 WZMBVGKJFPMNGN-UNMCSNQZSA-N 365.477 4.766 0 1 FJAF COc1ccccc1-c1cc2cc(C)ccc2nc1SCCN(C)C 26380624 YSOVFTBZNQOARN-UHFFFAOYSA-N 352.503 4.873 0 1 FJAF N=C(N)c1ccc2cc(C(=O)Nc3ccccc3)cc(-c3ccoc3)c2c1 26831406 QJVPWUIKUDMGJM-UHFFFAOYSA-N 355.397 4.636 0 1 FJAF COc1ccc(C[C@@H]2C[C@H](Cc3ccc(OC)cc3)[C@@H]3CC[C@H]2N3C)cc1 28526227 GVXUWMUJULZCIL-GKIBHXGMSA-N 365.517 4.588 0 1 FJAF CC(=O)Nc1cccc(Oc2cncc(N[C@H]3C[C@@H](C)CC(C)(C)C3)n2)c1 82068840 DOMDJPXLJKOZMI-PBHICJAKSA-N 368.481 4.854 0 1 FJAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@@]1(C)c3occc3C(=O)C[C@@H]12 86028375 PDBNIQRPWFTLNF-MOXQZVSFSA-N 358.478 4.910 0 1 FJAF biogenic CCN(CC)Cc1ccc(OC(=O)CCc2c[nH]c3ccccc23)cc1 96914939 AYSWTIZKRLDZHW-UHFFFAOYSA-N 350.462 4.548 0 1 FJAF COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3cc(OC)cc(OC)c32)cc1 103670040 RAXCZGXWMZGYRB-HXUWFJFHSA-N 365.429 4.926 0 1 FJAF CC(=O)O[C@H](C[C@@]1(C)[C@@H]2CCC=C3C(=O)OC[C@]32CC[C@H]1C)c1ccoc1 105495172 DZAYTXGDCMMRGZ-OJFNDAAESA-N 372.461 4.590 0 1 FJAF endogenous,in-man CCC(=O)C(CCCCCOc1ccc(OC)cc1Cl)C(=O)CC 138196879 XQWVLYSNCUQIRA-UHFFFAOYSA-N 354.874 4.862 0 1 FJAF O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2nc(C3=CCCC3)[nH]c2c1 586882940 DDNIKTQUFCMHQB-UHFFFAOYSA-N 373.865 4.584 0 1 FJAF CC(C)Oc1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2c1 586979156 IIXMZTUZAOBIBE-UHFFFAOYSA-N 366.646 4.828 0 1 FJAF Fc1ccc2c(-c3nc4c(Cl)c(Br)cnc4[nH]3)coc2c1 587173963 DREBMWANBQQCRE-UHFFFAOYSA-N 366.577 4.926 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc3ccncc13)CC2=O 587492762 XAHAFDGDXNVNJN-QGZVFWFLSA-N 361.441 4.860 0 1 FJAF Cc1cc(Br)ncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500821 YHBSIKVXPSIOBX-KRWDZBQOSA-N 372.262 4.738 0 1 FJAF Cc1cccc(F)c1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587717579 GEWSGRYXXFBQSO-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF COc1ccc([C@@H]2C(=O)c3ccc(OC)cc3[C@H]2c2cccc(F)c2)cc1 653724612 NLWFWPRXKWUECO-YADHBBJMSA-N 362.400 4.955 0 1 FJAF CN1N=C2c3cc(O)ccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1ccccc1 653865358 RDFGPWJUUHXDJX-ACIOBRDBSA-N 356.425 4.533 0 1 FJAF NCc1ccc([C@H]2CC[C@@]3(C2)NCCc2c(Cl)cc(Cl)cc23)cc1 963110621 QAUDENGTUOTVMV-YWZLYKJASA-N 361.316 4.761 0 1 FJAF CC[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc2ccccc21 1772633634 JDPCDRQVUIAHOG-QHCPKHFHSA-N 371.440 4.525 0 1 FJAF O=c1c(Cl)c(-c2ccc(N3CCC(F)CC3)cc2)[nH]c2ccccc12 1772637027 QQOOIQGBJJFRLU-UHFFFAOYSA-N 356.828 4.787 0 1 FJAF COc1cc(F)ccc1-c1cccc([C@H](CC(=O)O)c2nccs2)c1 1772642821 VDDDKGKFKKMQBT-INIZCTEOSA-N 357.406 4.564 0 1 FJAF CC(C)=CCC[C@]1(C)Oc2cc(O)cc(CCc3ccccc3)c2C[C@H]1O 1857586264 XQUVUAZOPHFHOJ-RPWUZVMVSA-N 366.501 4.978 0 1 FJAF O=C(c1ccc(O)cc1)n1cc(-c2ccc(O)cc2)c(-c2ccc(O)cc2)c1 1857605004 DSOYGABPHAOPRX-UHFFFAOYSA-N 371.392 4.627 0 1 FJAF CCN(CC)c1cc(C)c2cc(NC(=O)c3ccccc3OC)ccc2n1 3894406 RGNYCWTXBGCWJA-UHFFFAOYSA-N 363.461 4.650 0 3 FJAF CC(C)(C)ONC(=O)Nc1csc(Cc2c(Cl)cccc2Cl)n1 13553623 VQNYFORDDPCSSR-UHFFFAOYSA-N 374.293 4.892 0 1 FJAF O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)O1 27863745 FBQKLQQRNHLVNX-GHMZBOCLSA-N 373.663 4.799 0 1 FJAF CCCN(c1c(Cl)cccc1Cl)S(=O)(=O)c1ccc(O)c(C)c1 28568710 XMWAWXNSWHETBI-UHFFFAOYSA-N 374.289 4.613 0 1 FJAF CC(C)(C)c1ccc([C@@H](N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1 29040528 RTQODFAILKVOPH-MRXNPFEDSA-N 351.368 4.765 0 1 FJAF CO[C@@H]1C[C@@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 36177418 BLHLYSLDSMMWFB-POHUPDAJSA-N 371.908 4.696 0 1 FJAF COCC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)O)O2 238749298 HIMKMNPGLLJADY-LRGNLBRXSA-N 350.499 4.578 0 1 FJAF C[C@@H]1CCCc2sc(-n3cccc3)c(-c3nc4c(O)nccc4[nH]3)c21 587031496 SCQICNBFMPGTPF-LLVKDONJSA-N 350.447 4.623 0 1 FJAF Clc1ccc(-c2cnccc2-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587077202 TZUPXCWDWJQARZ-UHFFFAOYSA-N 363.804 4.717 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587117531 KIFDJKQUMNRZMA-UHFFFAOYSA-N 372.350 4.561 0 1 FJAF Cc1cc(Br)cc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c12 587197702 TZWLLXYZYSBOIB-GFCCVEGCSA-N 358.283 4.852 0 1 FJAF FC(F)(F)c1cnc2nc(-c3ccc(CNCc4ccco4)cc3)[nH]c2c1 587232463 VAUGFLDEZBYGQC-UHFFFAOYSA-N 372.350 4.527 0 1 FJAF COc1cccc(-c2cc([C@@H]3CCCNC3=O)nc3c2oc2ccccc23)c1 587362819 LCFULYLHXOVGPV-INIZCTEOSA-N 372.424 4.650 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(-c4ccc(O)c(C)c4)c1)[C@@H](C2)C3=O 587448840 GTWVIQZBHTWTDX-CYFREDJKSA-N 372.420 4.865 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(O)[nH]c3cccc(Cl)c13)CC2=O 587458668 AIBIGGIVOJLPHZ-INIZCTEOSA-N 371.820 4.892 0 1 FJAF O=C1C[C@H](c2cccc(O)c2Br)Oc2c1ccc1c2CCCC1 587495684 FGENGZOZLQEZMV-QGZVFWFLSA-N 373.246 4.740 0 1 FJAF COc1ccc2[nH]cc([C@@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587522366 FMAPEANMJLIPGR-HSZRJFAPSA-N 361.441 4.936 0 1 FJAF COC(=O)CCCC[C@H](C)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525010 OTRSGPIHZJEZJI-NYHFZMIOSA-N 358.478 4.659 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cnccc2c1 587587308 NMWXHOQYVDPZKL-OFNKIYASSA-N 369.376 4.643 0 1 FJAF Cc1c(Br)ccc2nc(COC/C=C/c3ccccc3)[nH]c12 587781939 ZKJSVUYZNYPITO-VMPITWQZSA-N 357.251 4.864 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3ncnc4sc5c(c34)CCCC5)n1)O2 587876967 XIPCEVCZVJEWNU-UHFFFAOYSA-N 364.405 4.668 0 1 FJAF CCCCOc1cccc([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)c1 962625421 MHDQNUSCCMGHKZ-KSFYIVLOSA-N 369.505 4.849 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(OCc3ccccn3)cc1)N1CCC[C@H]1C2 963099490 AGVVFGLDPYXFRA-RDPSFJRHSA-N 374.459 4.910 0 1 FJAF COc1ccc([C@]2(C(C)C)c3c(F)cccc3C[C@@H]3CCCN32)c(F)c1 963100755 JFSHNLXQWOJODA-KSFYIVLOSA-N 357.444 4.894 0 1 FJAF CNCCN1CCC(c2ccc3[nH]c(-c4ccc(C)cc4)c(C)c3c2)CC1 1911574792 LVGTYILJQHLLFN-UHFFFAOYSA-N 361.533 4.851 0 1 FJAF COCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@H]32)C1 263591524 HQSUOMDNEIPOEM-WBIUVFFSSA-N 362.554 4.732 0 3 FJAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@H]3CC=CC[C@@H]23)cc1Cl 13519253 QFAHXLIVMRUENH-SJORKVTESA-N 366.848 4.682 0 1 FJAF CN(CCc1ccccc1)C(=O)CC1=CC=C(OCc2ccccc2)CC1 27430848 JOFAKRKBLPBAQO-UHFFFAOYSA-N 361.485 4.899 0 1 FJAF CCC(=O)NCCCc1cccc2c1C[C@@H](CCCCc1ccccc1)O2 28125267 HGVWVYPMCQEETQ-OAQYLSRUSA-N 365.517 4.862 0 1 FJAF C[C@H]1c2cc([C@@H]3C[C@@H]3c3ccc4cc(C(=N)N)ccc4c3)ccc2CCN1C 28367343 BRZMIZNCFORRIR-XXEARWCOSA-N 369.512 4.944 0 1 FJAF O=S(=O)(Oc1c2ccccc2cc2sccc12)c1ccc(NO)cc1 28826865 UIZCHRBDNNLOEI-UHFFFAOYSA-N 371.439 4.623 0 1 FJAF CCCC[C@H](O)c1cc(O)c2c(c1)OC(C)(C)c1ccc(C(=O)O)cc1-2 34065116 GCEZTYNTOTZPMN-INIZCTEOSA-N 356.418 4.609 0 1 FJAF biogenic Fc1ccccc1[C@@H]1[C@H](Oc2ccccc2)COCN1Cc1ccccc1 40975201 SWKHCOTYFREFQK-DHIUTWEWSA-N 363.432 4.804 0 1 FJAF Cc1ccc([C@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)nc1 43021303 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CCC[C@H](C)CN1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587513684 KYJMRNUZURRGTM-KRWDZBQOSA-N 355.522 4.801 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1OC 587521172 BAROWEXWQPPTOP-HXUWFJFHSA-N 352.430 4.598 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3cn2)N1 587776824 DVCBPBKKUQSBOJ-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1ccc(C=O)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587787783 RHUXXQCFTWIOQY-UHFFFAOYSA-N 358.397 4.630 0 1 FJAF CSc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587845247 DEDWDICWTUGTBP-ANRSDYALSA-N 372.328 4.995 0 1 FJAF CN1N=C2c3cc(O)ccc3O[C@H](c3ccccc3)[C@H]2[C@H]1c1ccccc1 653865361 RDFGPWJUUHXDJX-YMPZKCBVSA-N 356.425 4.533 0 1 FJAF Cc1cc2c(cc1F)[C@]1(CCOc3cc(Cl)cc(Cl)c31)NCC2 962295252 CWZCENPMXYEFCR-SFHVURJKSA-N 352.236 4.613 0 1 FJAF Cc1ccc([C@@H](C)Nc2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)c(C)c1 1857751388 SVQCMDHUVKEZPE-SJORKVTESA-N 363.505 4.810 0 1 FJAF CCCCCCOC[C@@H](CC[P@](=O)(O)OC)OCCCCCC 13760000 SKYPYPYASBNLQU-QGZVFWFLSA-N 352.452 4.771 0 1 FJAF O=C1Nc2c(Cl)cc(-c3cccc(C(=O)O)c3)cc2C2(CCCCC2)N1 28361349 FXUFWAVOAYRFKB-UHFFFAOYSA-N 370.836 5.000 0 1 FJAF Cc1cccc(-n2nc(-c3ccccc3)c3c(=O)n(C)c4ccccc4c32)c1 29417073 SHJSDUBZHFLXCN-UHFFFAOYSA-N 365.436 4.853 0 1 FJAF O=C(NCCCCNc1ccnc2cc(Cl)ccc12)C1CCCCC1 35190607 UHAFRHRTVAMOGE-UHFFFAOYSA-N 359.901 4.777 0 1 FJAF CCNc1ccnc2sc3c(=O)n(-c4ccc(Cl)cc4)ccc3c12 35284019 OLUSWPXQHCOICN-UHFFFAOYSA-N 355.850 4.686 0 1 FJAF CCCN1CCN(C2=Nc3ccccc3CC=C2c2ccc(F)cc2)CC1 40632158 FQNUNLOEXLVFKY-UHFFFAOYSA-N 363.480 4.523 0 1 FJAF Cc1ccc(-n2nncc2-c2cc(-c3ccccc3)sc2C(=O)O)cc1 58582784 KMCLSECEWBCXDY-UHFFFAOYSA-N 361.426 4.669 0 1 FJAF CNCc1c(-c2ccccc2)c2cc(Cl)ccc2c(=O)n1CC(C)C 72112224 RYIMNSZKUQYVMS-UHFFFAOYSA-N 354.881 4.697 0 1 FJAF Clc1cccc(Cn2c(CN3CCCC3)nc3ccccc32)c1Cl 96285119 LNPVOUJCPGTQSA-UHFFFAOYSA-N 360.288 4.987 0 1 FJAF CC[C@@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1 103192659 NEIHWXHRXGMNLD-INIZCTEOSA-N 367.367 4.789 0 1 FJAF Cc1cc(C)cc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)c1 103261673 VQQRGHOPEJXFCR-UHFFFAOYSA-N 372.476 4.800 0 1 FJAF CC(C)CC[C@](C)(O)CC[C@]1(C)[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 169321641 LPUXXLIFOUINQW-UEQSERJNSA-N 373.581 4.884 0 1 FJAF Fc1cnc2[nH]c(-c3cc(Cl)cc(Cl)c3Br)nc2c1 586976749 XPKIHQFJWOGQJZ-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCOC(=O)c1ccc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2c1 587098335 QLTQYSUQSPNDKX-LLVKDONJSA-N 362.351 4.910 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@H]4C(=O)OC(C)(C)C)-c1ccccc1C2=O 587098390 XNXNVJUKOYYODD-MRXNPFEDSA-N 371.436 4.736 0 1 FJAF C[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346644 AAVWNMXWJXUXHW-RBBKRZOGSA-N 364.372 4.511 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3ccc(C(F)(F)F)cc3n1)O2 587382511 MKASGSNGCOTVSL-SFHVURJKSA-N 372.346 4.851 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cccc(O)c3)c1)O2 587404426 QAXBIDZXRGSTKN-QHCPKHFHSA-N 359.425 4.830 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1[nH]c4ccc(Cl)cc4c1C)[C@@H](C2)C3=O 587419260 DKJSMFDNTOWYJF-XOBRGWDASA-N 353.805 4.627 0 1 FJAF O=C1C[C@@]2(CCNc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587504722 XTQYTRNHRRHOHL-OAQYLSRUSA-N 353.849 4.895 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(Cl)c(O)c2)N1 587691986 JGCFIXJNCZKPIP-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4ncc(Cl)cc4[nH]3)cc2)c1 587781549 WWUMTUQTNGCVGT-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccccc2O)N1 587832948 LJFRUIMXOAPXKT-OQVJCZGCSA-N 362.242 4.583 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccc(F)cc2s1 587870211 BUBAJXWBBBQPJJ-UHFFFAOYSA-N 357.385 4.826 0 1 FJAF COc1cccc(C2(c3nc4cc(C(F)(F)F)ncc4[nH]3)CCCC2)c1 587931074 LIMJZIGAMFREAC-UHFFFAOYSA-N 361.367 4.845 0 1 FJAF Fc1cccc2c1[C@@H](c1ccn(CC3CCCCC3)n1)N1CCC[C@@H]1C2 963099503 AHYGLQOGRRZNTG-XMSQKQJNSA-N 353.485 4.712 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(n3cc(CO)c4ccccc43)CC2)CC1 1857541722 JDXUKGDQAXGTDS-PUZFROQSSA-N 354.538 4.985 0 1 FJAF Cc1ccc(-c2c[nH]c3ccc(-c4cncc(NCCN(C)C)n4)cc23)cc1 1857752844 NHWNYDXOYLBMJG-UHFFFAOYSA-N 371.488 4.574 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@](OC)(CC[C@@H](C)[C@@]2(C)CCc2ccoc2)C1 2356430167 HTOGWGIDXDORHJ-SAIGTISXSA-N 360.494 4.933 0 1 FJAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@@H]3C[C@]1(C)CC[C@@H]1[C@@H](C)CN([C@@H]34)[C@H]12 2356468844 SBZSORFWYJGMHS-WPDQWSNOSA-N 371.565 4.645 0 1 FJAF C[C@H](c1nccc2cc(Nc3n[nH]c4cccnc34)ccc12)C(F)(F)F 2382245002 ORYGDQFQGQUFQM-SNVBAGLBSA-N 357.339 4.916 0 1 FJAF CC/N=c1\nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)s1 27746412 MJDVUVAHBUOHMD-KNTRCKAVSA-N 350.274 4.828 0 1 FJAF O=C(Nc1ccccc1)C1CCN(Cc2ccc3cc(F)ccc3c2)CC1 29123495 KIBJRAQKTXFONV-UHFFFAOYSA-N 362.448 4.830 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34212569 RPIWNKCKNAVMOS-KIYUKQTRSA-N 359.554 4.739 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)on1 40897151 ORIFMUAUSBIDGC-UHFFFAOYSA-N 352.394 4.803 0 1 FJAF c1ccc(Cn2nnc(-c3ccc4[nH]ncc4c3)c2-c2ccccc2)cc1 63539987 IOYGZJJCJBOPDM-UHFFFAOYSA-N 351.413 4.537 0 1 FJAF COc1cccc2c(-c3ccc(O)c4c3CCN=C4)ccc(OC(C)C)c12 64447193 QSXDKPKQECLMLL-UHFFFAOYSA-N 361.441 4.983 0 1 FJAF COc1ccc2c(c1C)NC(=O)[C@]2(c1ccc(O)cc1)C1CCCCC1 64540040 HICPQXZSWSUKQM-QFIPXVFZSA-N 351.446 4.528 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccc(C)o2)/C1=C(\O)OC(C)C 101962609 AWBDPDMZZWXRBX-CQGUWYRNSA-N 361.438 4.566 0 1 FJAF Cc1cc([S@@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc(C)c1Cl 102789094 UMOQGYBYRGESGZ-QHCPKHFHSA-N 372.277 4.543 0 1 FJAF O=C(O)CCCCc1cnc(C(=O)CCCCCCc2ccccc2)o1 103239561 OSGOEJJVRHQRAL-UHFFFAOYSA-N 357.450 4.848 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc2[nH]ccc2c1 142603355 GNWUQSYSXSFSCN-LLVKDONJSA-N 363.244 4.558 0 1 FJAF Oc1ccc(C2(c3nc4ccc(OCc5ccccc5)cc4[nH]3)CC2)cc1 586897979 CNVXPBWTFDSTIP-UHFFFAOYSA-N 356.425 4.927 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2c(Cl)ccnc2[nH]1 586995901 LAYSALAJHSYJGS-UHFFFAOYSA-N 366.646 4.688 0 1 FJAF CC(C)(C)c1ccc2nc(C[C@@H](N)c3ccc(Br)cc3)[nH]c2c1 586998063 WYXBNRPJCJQEKJ-OAHLLOKOSA-N 372.310 4.865 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3cccc(Br)c3[nH]2)s1 587014672 OLECBKNQOFKSMX-SECBINFHSA-N 366.284 4.855 0 1 FJAF Cc1ccc2nc(Cc3csc(NC(=O)Nc4ccccc4)n3)[nH]c2c1 587019552 PRHVGSZHGBMEFC-UHFFFAOYSA-N 363.446 4.563 0 1 FJAF CCc1cc(OCc2nc3cc4c(cc3[nH]2)OCCCO4)ccc1Cl 587052482 CBBUMEZFIAYBBC-UHFFFAOYSA-N 358.825 4.519 0 1 FJAF CCOC(=O)Cc1ccc2nc(C3(c4ccc(Cl)cc4)CCC3)[nH]c2c1 587073576 HAQYDTIWCQPGQH-UHFFFAOYSA-N 368.864 4.792 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@@](F)(Cl)C(F)(F)F)[nH]c2c1 587090168 MRYHQZCEQAHYLI-HNNXBMFYSA-N 356.706 4.717 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cn4c(n3)CCCC4)nc3cccc1c23 587107926 WVBNHZZSPFSSNV-UHFFFAOYSA-N 351.409 4.646 0 1 FJAF CC(C)[C@@H](c1nc2ccc(Br)c(C(F)(F)F)c2[nH]1)N(C)C 587198503 HKNVSUNPCURUKE-LBPRGKRZSA-N 364.209 4.603 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc3cc(Cl)cc(C)c3n1)O2 587379149 GGCDKBQNARKELS-SFHVURJKSA-N 352.821 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)c3ccccc31)O2 587402907 BBAWAAPJRLTOTE-CYFREDJKSA-N 355.437 4.974 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(C(F)(F)F)cc1F)[C@@H](C2)C3=O 587422162 SBNXBRIDXOZGLB-UGSOOPFHSA-N 366.310 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCC[C@@H]1c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423574 VYWRMIDCLDXCGN-WWMYMODYSA-N 354.833 4.803 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)cccc1OC)CC2=O 587460642 OKPYPZOKWDEHBT-FQEVSTJZSA-N 360.837 4.887 0 1 FJAF O=C1C[C@H](c2nc(C(F)(F)F)cs2)Oc2c1ccc1c2CCCC1 587509373 RWONIUZGUCNYRN-CYBMUJFWSA-N 353.365 4.747 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]1c1ccccc1 587602829 LJRJJXDXGJCKCF-OITUCODZSA-N 358.393 4.526 0 1 FJAF Cc1ccc2c(c1C)[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605336 YZZODIZDUIWIOI-QPPBQGQZSA-N 372.420 4.812 0 1 FJAF Cc1c(-c2ccc(F)cc2C(F)(F)F)[nH]c2ccc(S(C)(=O)=O)cc12 587649426 JIKNSCSWRSSZGR-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2F)N1 587725900 SSKJFJKUVLLXSR-HUTHGQBESA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3cn2)N1 587779981 XCRQJANWASOVHW-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)CSc1ccc(C)cc1 587872037 HNNRFXRYSRBFMS-UHFFFAOYSA-N 370.449 4.829 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(Br)cc(F)c3[nH]2)c1 587930622 KPZZZXKUFPCZDI-JTQLQIEISA-N 363.230 4.819 0 1 FJAF COc1ccc(C2(c3nc4ccc(Cl)nc4[nH]3)CC3(CCC3)C2)cc1 587934716 FIVPSIRBZMRTTI-UHFFFAOYSA-N 353.853 4.870 0 1 FJAF CC[C@]1(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)CC(=O)c2ccccc2C1 587960814 NHMGPRHWTUKRIY-LJQANCHMSA-N 373.378 4.745 0 1 FJAF COC(=O)c1ccc(Oc2ccc3nc([C@@H]4C[C@H]5C=C[C@@H]4C5)[nH]c3c2)cc1 587968278 YKKUTMPHZVDIII-JCKWVBRZSA-N 360.413 4.821 0 1 FJAF C/C(=C\c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)C1CCCCC1 587968587 SFQGOFSSRBENOX-PKNBQFBNSA-N 372.412 4.840 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942807 BZMGSJJNODOZFY-ORAYPTAESA-N 356.901 4.750 0 1 FJAF O=C(O)c1cc(-c2csc(Nc3cc(Cl)cc(Cl)c3)n2)on1 1772651104 SJYBHQFVCIVKNG-UHFFFAOYSA-N 356.190 4.547 0 1 FJAF Nc1c(C(=O)NCc2ccccc2)sc2nc(-c3cccs3)ccc12 1857746716 LLVZRGWUBJOPFO-UHFFFAOYSA-N 365.483 4.537 0 1 FJAF COC(=O)C1=C2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC[C@H]1C 2356687694 YFTPYZDSHBLAJW-NYZJVDBFSA-N 362.510 4.670 0 1 FJAF O=C(C=Cc1ccccc1)NC1=N[C@@H]2CCCCCCCCCC[C@H]2O1 2356713988 XZORUNHMSUAKIS-WOJBJXKFSA-N 354.494 4.854 0 1 FJAF OC[C@@H]1[C@@H](c2ccc(Cl)cc2)C(c2ccccc2)=NN1c1ccccc1 13813843 XHNPBNRPDHZCEO-NHCUHLMSSA-N 362.860 4.709 0 3 FJAF O=C(Cc1ccccc1)N[C@@H]1c2ccccc2CC[C@@H]1OCc1ccccc1 61959059 DTNFWNYINOXANE-UKILVPOCSA-N 371.480 4.618 0 3 FJAF O=C1C[C@@H](c2cnc3ccccc3c2)[C@@H](c2ccc(-c3ccccc3)o2)N1 206036031 UEXZFDQHAQOXRP-MBSDFSHPSA-N 354.409 4.840 0 3 FJAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccccc1)C[C@@H]2O 14819236 ADIMMCHZVYYGPW-ROUUACIJSA-N 354.446 4.770 0 1 FJAF biogenic NC(=O)c1cnc2cc(-c3ccc(F)cc3)ccc2c1Nc1ccccc1 28959978 WTSIADWBVGYWLY-UHFFFAOYSA-N 357.388 4.883 0 1 FJAF CCc1sc2nc(N)[nH]c(=O)c2c1Sc1cc(Cl)cc(Cl)c1 43073487 IDCYCGZREFNTJD-UHFFFAOYSA-N 372.302 4.587 0 1 FJAF O=C(Nc1ccc(Cl)cc1)[C@@H]1C(=O)N2c3ccccc3Cc3cccc1c32 100814088 KZZQXZUVFBOUBG-LJQANCHMSA-N 374.827 4.645 0 1 FJAF COc1cccc(-c2ncccc2CC(c2cccnc2)c2cccnc2)c1 114775126 SEQVCZOGEGSJLY-UHFFFAOYSA-N 367.452 4.922 0 1 FJAF CC(C)C[C@H](C)Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1 142139297 ZIJOEDATOBMMDL-YJBOKZPZSA-N 368.481 4.800 0 1 FJAF COc1ccc2c(c1)cc(-c1ccccc1)n2Cc1csc(C(=O)O)n1 149506203 UGVGPIXOUUXAAC-UHFFFAOYSA-N 364.426 4.520 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2ccnc(Br)c2[nH]1 586896862 RUIBOZBAWOAWPF-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF COc1cc(-c2nc3c(Cl)ccnc3[nH]2)cc(Cl)c1OCC(C)C 587044517 HEPWKEPGIYKFBJ-UHFFFAOYSA-N 366.248 4.975 0 1 FJAF Clc1ccc2ccc(-c3nc4cc5[nH]ncc5cc4[nH]3)nc2c1Cl 587082666 AJKFEPWLMVFHSZ-UHFFFAOYSA-N 354.200 4.961 0 1 FJAF FC(F)=C(C[C@H]1CCCN1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587088040 ICPRVQDRYSTKIU-OAHLLOKOSA-N 369.415 4.892 0 1 FJAF Cc1[nH]c2c(C)cccc2c(=O)c1CCc1cc2c3c(cccc3n1)CC2 587211406 DRBAACYMGYITIH-UHFFFAOYSA-N 354.453 4.577 0 1 FJAF Oc1nc(O)c2ccc(-c3ccc(-c4ccc(Cl)cc4F)s3)nc2n1 587367970 DKQXDQYWJOODCS-UHFFFAOYSA-N 373.796 4.624 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(C)n(C4CCCC4)c1C)[C@@H](C2)C3=O 587431351 OEHSMBRDVBOZOJ-AVRDEDQJSA-N 351.446 4.717 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C(=O)c2cccc3cccc1c23 587485272 UJTCMKOBAIGDGP-QHCPKHFHSA-N 358.393 4.555 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(SCC(C)C)nc1)CC2=O 587493998 VNIQIEKROARQOV-GOSISDBHSA-N 372.490 4.589 0 1 FJAF Cc1cc(-n2cccn2)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587517565 PRWYYKVRJRPARH-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF CCCCC[C@H]1CC[C@H]([C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587561381 HCRXQOUJXBYHEL-JYJNAYRXSA-N 369.509 4.928 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)cc1 587933201 VNJYQXYTKNSWJW-UHFFFAOYSA-N 369.424 4.790 0 1 FJAF Cc1ccc(C(=C2C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 1857624467 AZNGFFNFDFXUHN-UHFFFAOYSA-N 351.409 4.783 0 1 FJAF O=C(O)c1cc(-c2ccccc2COc2cc(F)cc(F)c2)ccc1O 1857768329 BVDBINPOLMYSOV-UHFFFAOYSA-N 356.324 4.615 0 1 FJAF CCC(CC)CCc1c(O)cc2c(c1O)C(=O)C[C@@H](c1ccc(O)cc1)O2 1857769164 NQAPPGUSXMHRGU-IBGZPJMESA-N 370.445 4.879 0 1 FJAF CCCC=CCCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@@H]1O 2356462275 MAPUWVOKJMDGSL-ZJOUEHCJSA-N 354.531 4.529 0 1 FJAF C[C@@H]([C@@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@H]3CC[C@@]21C)N(C)C 2356616519 ZROQUMPZTDXHBC-SNVSEMBOSA-N 374.613 4.710 0 1 FJAF CC1=C(C(=O)O)[C@@H](CCCCCCCCCCCC[C@@H](C)CO)OC1=O 2356819700 FEGXSCTZZUZMJG-SJLPKXTDSA-N 368.514 4.623 0 1 FJAF COc1cc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c(C)cc2C)ccc1O 14956286 MHKMVZVXOLABKA-BOPFTXTBSA-N 360.413 4.505 0 1 FJAF Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 28712259 BNBOVPQLOPVIRJ-LJQANCHMSA-N 364.408 4.872 0 1 FJAF CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccc(NCc2cccc(O)c2)cc13 84669009 PIWYCCOPQBGXEH-QPTUXGOLSA-N 362.517 4.693 0 1 FJAF CCN(CC)CCC[C@@H](C)Nc1ccnc(COc2ccc(F)cc2)c1 95607671 GVDSYZISJVXWIK-QGZVFWFLSA-N 359.489 4.722 0 1 FJAF N[C@@H](Cc1c[nH]c2ccc(-c3ccc(Oc4ccccc4)cc3)cc12)C(=O)O 146627016 XOWAFGZKNRCEGG-NRFANRHFSA-N 372.424 4.582 0 1 FJAF Cc1nc2ccccc2n1-c1nc2c(c(NCc3ccccc3)n1)CCCC2 208103896 ZLKKCRYOEPAFEX-UHFFFAOYSA-N 369.472 4.615 0 1 FJAF CCCC[C@H](C)COC[C@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 299804831 YFJUFXGBUYGFIH-QDYFCFMCSA-N 352.515 4.824 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1 586878892 BFPUJYRWZOHUDQ-UHFFFAOYSA-N 370.408 4.871 0 1 FJAF Fc1ccc2nc([C@H]3C[C@]34CCc3ccccc34)[nH]c2c1Br 586884394 HQCAZMQDASEMIS-XIKOKIGWSA-N 357.226 4.836 0 1 FJAF OCc1cccc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 586894925 GWABYFMGLAKWIP-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cncc(Br)c4[nH]3)c2)cc1 586897983 CWVVIJGIPUHWSO-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF COc1cc2nc([C@@H](C)CC(=O)c3ccc(Cl)cc3)[nH]c2cc1OC 587068873 FCOGQPDKLZQPFO-NSHDSACASA-N 358.825 4.610 0 1 FJAF COc1cc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2cc1Cl 587108487 NJJCRUDEIHROIK-UHFFFAOYSA-N 370.714 4.609 0 1 FJAF Cc1c(Cl)ccc2nc(Cn3nc(C(F)(F)F)c4c3CCCC4)[nH]c12 587119284 AUJDLTMELGSJEK-UHFFFAOYSA-N 368.790 4.667 0 1 FJAF Clc1cccc(-c2nc3cccc4c3c(c2CC2OCCCO2)CC4)c1 587209443 PJVOJXQUQDKVTQ-UHFFFAOYSA-N 365.860 4.959 0 1 FJAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587419857 MUMDVADCRFMRGL-JLTOFOAXSA-N 358.821 4.626 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1cccc(C(F)(F)F)c1)(C1CC1)[C@@H](C2)C3=O 587420825 HOWREHUHWVHFPY-OXJNMPFZSA-N 374.358 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccc(OC)cc1)CC2=O 587484226 XGWIFIAQKSCYFI-LHSJRXKWSA-N 354.446 4.566 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3cccc(C)c3)nc1)CC2=O 587491534 URCMOYUBGMHVGI-OAQYLSRUSA-N 374.440 4.817 0 1 FJAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 587516085 QQFJXDMKYSGEQL-OAQYLSRUSA-N 358.441 4.672 0 1 FJAF O=C1C[C@H](c2cnc(-c3ccccn3)s2)Oc2c1ccc1c2CCCC1 587534064 APTDXRCXYRGQQZ-GOSISDBHSA-N 362.454 4.790 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(F)c2F)[nH]c2cccc(F)c12 587634368 WLDFLAUCQWNDTP-UHFFFAOYSA-N 355.262 4.707 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724920 MLDZJIKLNSJLOD-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@H](CCNCC12CC3CC(CC(C3)C1)C2)N=c1cc[nH]c2ccccc12 653714143 BIGJAGFSKZKKGU-OQOKOFKUSA-N 363.549 4.653 0 1 FJAF O=C1OC[C@H](Cc2cccc(F)c2)[C@H]1Cc1ccc(Cl)c(Cl)c1 1772572254 RTZCELVAZCSSEI-DZGCQCFKSA-N 353.220 4.707 0 1 FJAF COc1ccc2nc(-c3cccc(N4CCc5ccccc5C4)c3)[nH]c2c1 1857534693 OUIQECUJSIBEJF-UHFFFAOYSA-N 355.441 4.801 0 1 FJAF Cc1nc(-c2ccc(C(C)(C)C)cc2)sc1-c1ccnc(N(C)C)n1 1857651138 YUDZHTZKXMMBJD-UHFFFAOYSA-N 352.507 4.939 0 1 FJAF CC(=O)O[C@@H](CC=C(C)C)C(C)=CCOc1cc(=O)oc2cccc(C)c12 2356531635 GYFARDLIBDGFNP-SFHVURJKSA-N 370.445 4.715 0 1 FJAF O=C1NC(Nc2ccccc2Cl)=N/C1=C\c1c(Cl)cccc1Cl 6040858 RPZLDLZOANOWRT-ZSOIEALJSA-N 366.635 4.586 0 1 FJAF CCOc1ccc(-n2c(C)c3c(C)nnc(N4CCCCC4)c3c2C)cc1 28569349 RBNHQDONFKAMDH-UHFFFAOYSA-N 364.493 4.735 0 1 FJAF Cc1nnc(-c2cc3c(nc(C)n3C)c3c2CC[C@@H](c2ccccc2C)O3)o1 43197385 VDLIHVZFLRBRPY-IBGZPJMESA-N 374.444 4.615 0 1 FJAF Cc1cccc([C@H](O)c2nnc(Nc3cccc(C(F)(F)F)c3)s2)c1 82078207 OSZUSUZSPPDSKA-AWEZNQCLSA-N 365.380 4.691 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@@H]3[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@]3(C)[C@](C)(C4)[C@]21O 103575398 PSEOFDBPRHEIQU-RQHRDYJESA-N 372.549 4.991 0 1 FJAF biogenic,in-vitro Cn1ccc2cc(-c3ccc4oc(N5Cc6cccnc6C5)nc4c3)ccc21 149352359 RQQUAYLTDYDRKG-UHFFFAOYSA-N 366.424 4.902 0 1 FJAF COc1ccc([C@H]2CC(C(C)(C)C)=NN2c2ccc(C(=O)O)cc2)cc1 203669139 HBHBUOSPGAPLHZ-GOSISDBHSA-N 352.434 4.747 0 1 FJAF COC(=O)C1=C2C[C@@H](OC(C)=O)[C@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC[C@H]1C 238784754 YFTPYZDSHBLAJW-HJHPKTPNSA-N 362.510 4.670 0 1 FJAF CCC(=O)[C@@H]1[C@@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253688351 AEOXYMZMDLKZPQ-FGSUIDRYSA-N 365.517 4.956 0 1 FJAF CCCc1cc(-c2nc(-c3ccc(NC(=O)NCC)cc3)cs2)ccn1 299825684 FDQXAONMYACOFS-UHFFFAOYSA-N 366.490 4.966 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cc[nH]c1)(c1cccc3ccccc13)O2 587396796 PIUMDUAGNJGSCA-DEOSSOPVSA-N 368.436 4.968 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)cc1O)[C@@H](C2)C3=O 587453732 ZTLCSKIDQROAGD-FDDCHVKYSA-N 358.393 4.557 0 1 FJAF C[C@]1(CC(=O)NC2CCCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587509396 CMNJQFYBCQCRIK-HSZRJFAPSA-N 369.505 4.518 0 1 FJAF CCn1cc(-c2[nH]c3c(C)cc(Cl)cc3c2C(=O)C(F)(F)F)cn1 587624053 DJAZLNMSKXTOHD-UHFFFAOYSA-N 355.747 4.758 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC2(C)C 587818121 BUIRTNYFDFLZPE-YUNKPMOVSA-N 374.297 4.948 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([C@H]3C[C@H]3C)o2)N1 587831090 WAZAKTZHOBAKKX-JKWLAVBTSA-N 364.258 4.928 0 1 FJAF Cc1cc(-c2cn3c(-c4ccc5ncccc5c4)cnc3cn2)cc(C)c1O 653765541 OULBKRIVANEERU-UHFFFAOYSA-N 366.424 4.934 0 1 FJAF COc1ccc(COc2cc3c(cc2-c2ccc(F)cc2)C(=O)CO3)cc1 1772622477 CJHRHUVBYQCKLL-UHFFFAOYSA-N 364.372 4.655 0 1 FJAF COc1cc2ncnc(Nc3cc(Cl)c(Cl)cc3F)c2cc1OC 589460 AWSNTTSKWKZQQT-UHFFFAOYSA-N 368.195 4.837 0 1 FJAF C[C@H](Cc1c[nH]c2cc(Cl)ccc12)NC[C@H](O)c1cccc(Cl)c1 13488826 YBOUCZGJCOEWPA-BLVKFPJESA-N 363.288 4.729 0 1 FJAF CCCCOc1ccc(NC(=N)Nc2ccc(CCCCO)cc2)cc1 13780934 VQZOCVFNJLMIKC-UHFFFAOYSA-N 355.482 4.639 0 1 FJAF C#CSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@H]12 14947086 UYDMBIPEVBFZKB-GKJHBJHPSA-N 354.515 4.702 0 1 FJAF COC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccn(C(C)C)c1 26662984 WBQJSHGQVULOKR-UHFFFAOYSA-N 363.483 4.859 0 1 FJAF COc1ccc([C@H]2[C@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1OC 28638196 UBUINJQFQXKDNL-GJPOJAMWSA-N 351.490 4.746 0 1 FJAF COP(=O)(CC[C@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OC 28645645 MFZWGSSBRLDFPC-LIKKTTQLSA-N 358.459 4.712 0 1 FJAF CCN(CC)CCCn1ccc2ccc(NC(=N)c3cccs3)cc21 34804361 JOVMTOKUHQGASN-UHFFFAOYSA-N 354.523 4.872 0 1 FJAF Cc1nn(C(=O)/C=C/c2cccc(C(F)(F)F)c2)c2c1[C@H]1[C@@H](C2)C1(C)C 45337936 RAEXFDVJMFJGFO-WXVPVVBVSA-N 360.379 4.860 0 1 FJAF CN1CCC(Oc2ccc3cc(-c4ccc(Cl)cc4)c(=O)oc3c2)CC1 84653120 ZCZZKDNOAQIONN-UHFFFAOYSA-N 369.848 4.586 0 1 FJAF Cc1c(C(=O)OCC2CCCCC2)oc2cccc(OC3CCNCC3)c12 95555226 KHHGBFWWVVMNTJ-UHFFFAOYSA-N 371.477 4.609 0 1 FJAF Cc1cccc(C)c1NC(=O)N[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 101075004 NAQVTFNHEFCUNX-UAPYVXQJSA-N 356.441 4.954 0 1 FJAF Nc1ccc2c(c1)C(=O)c1ccc(Nc3cc(F)c(F)cc3F)cc1OC2 103273339 URDWCDDDJNEAAD-UHFFFAOYSA-N 370.330 4.553 0 1 FJAF CSC1=N[C@@H]2/C(=C(\O)OCCCCCSc3ccccc32)C(C)=N1 169367363 PIRYLGGXEKYRTL-UYTDBDHRSA-N 362.520 4.983 0 1 FJAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccsc2)[nH]c2ccccc12 473082261 GRVXEMZCNXREFR-UHFFFAOYSA-N 354.475 4.728 0 1 FJAF O[C@@H]1C[C@@H](c2nc3cccc(OCc4ccccc4)c3[nH]2)c2ccccc21 586904230 RZESHMKZFPLFKW-UYAOXDASSA-N 356.425 4.711 0 1 FJAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)n1 586987948 IIRHLWOEGSHTCO-UHFFFAOYSA-N 352.393 4.831 0 1 FJAF FC1(F)Oc2cc3nc(-c4ccc(-c5nccs5)cc4)[nH]c3cc2O1 587023820 QATJZLCUJMPTBA-UHFFFAOYSA-N 357.341 4.675 0 1 FJAF CCS(=O)(=O)c1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587026502 FJYDVXRNFUKQOJ-UHFFFAOYSA-N 368.483 4.752 0 1 FJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 587108871 HJRXRXKRLYCMHD-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF Cc1ccc2c(ccc3nc(-c4ccc5nc(C(F)(F)F)[nH]c5c4)[nH]c32)n1 587120258 FQUKTDGDXVUHAS-UHFFFAOYSA-N 367.334 4.982 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2cncc(Cl)c2[nH]1 587151393 XXXWSGCKYMVRBN-QGZVFWFLSA-N 352.800 4.952 0 1 FJAF Cc1ccoc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347257 ATDLSIFYHOGZNY-WIYYLYMNSA-N 352.361 4.707 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCCc3occc32)[C@@H]1c1ccc(F)cc1 587357140 SJMWNWUGOZWEGP-IRLDBZIGSA-N 364.372 4.715 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](C)c3c(Br)cccc31)O2 587370695 HJWYZKAIQADBES-NSPYISDASA-N 372.262 4.708 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)F)cc1Cl)O2 587380790 APYGZQKWVHUMLU-HNNXBMFYSA-N 371.742 4.836 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587417614 DDKAVQBVYOYEJZ-IFXJQAMLSA-N 363.240 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cnc(-c4ccccc4C)s1)[C@@H](C2)C3=O 587452640 SBUPFHPDGJMSKG-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccncc1)(C(C)(C)C)CC2=O 587488835 KMJCMXBTRJRBJX-QFIPXVFZSA-N 353.462 4.733 0 1 FJAF Cc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cnn(C)c2)c1 587517080 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CC[C@@]1(c2ccccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587568049 KDHVVALFMQFSBN-UGKGYDQZSA-N 364.372 4.798 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)ccc1Cl 587569236 HCGXFAQYNBCXEY-XLIONFOSSA-N 370.763 4.888 0 1 FJAF Cc1ccc(C)c(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603042 MOFORTQROZEUDO-LEWJYISDSA-N 360.409 4.582 0 1 FJAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3c(C)cc(Cl)cc23)cn1 587624092 FEGKUENFZBMXKL-UHFFFAOYSA-N 355.747 4.596 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2CC2(Cl)Cl)N1 587698134 YHNHYRJMXXXYLU-XBURVNOZSA-N 367.089 4.531 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(F)cc2F)N1 587726191 VYEFXNUYJIZOIV-PSLIRLAXSA-N 370.212 4.684 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccnc(Cl)c1 587860832 GBEVQRDHFWXMQS-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c2)cc1 587934973 JQUQBEOLXPHTGY-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF FC(F)(F)CCCONC1=C[C@@H](c2cccc(Br)c2)C1 957615183 DNHVJZVGAOHMAX-LLVKDONJSA-N 350.178 4.684 0 1 FJAF Clc1ccc2c(c1)C[C@@]1(CO2)NCCc2cccc(-c3ccccc3)c21 962664109 FSTRICOCFNTOOA-QHCPKHFHSA-N 361.872 4.983 0 1 FJAF CC(C)(C)OC(=O)[C@@H]1[C@@H]([C@@H]2NCCc3c(Cl)cc(Cl)cc32)C1(C)C 963111581 QXBVAMUIMQMOFC-HRCADAONSA-N 370.320 4.794 0 1 FJAF Brc1cc2c(s1)CC[C@H](NCCCc1ccccc1)CC2 1911570995 COEFOOWNWLEYHU-MRXNPFEDSA-N 364.352 4.980 0 1 FJAF Clc1cccc(-c2cc3nc(NCCOc4ccccc4)ccn3n2)c1 61926012 VERSSAVKMSKEJU-UHFFFAOYSA-N 364.836 4.541 0 3 FJAF CCC[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NCc1ccccc1 206042760 ZVMYPQPENPTUFM-ADYITMSISA-N 354.538 4.516 0 3 FJAF O=C1Nc2c(/C=C/c3ccccc3)ccnc2N(C2CC2)c2ncccc21 5934039 PXIHWTCYZMFDOH-CMDGGOBGSA-N 354.413 4.513 0 1 FJAF Cc1ccc([C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 13740258 ZVYVEQWQWNSQIJ-KCLUMXDGSA-N 369.892 4.820 0 1 FJAF O=C(O)C[C@@H](O)CSCCCCCCc1ccc(Cl)cc1Cl 13758152 JTYJUUIPTANEFW-CQSZACIVSA-N 365.322 4.665 0 1 FJAF CCC[C@@H](CC)C(=O)O[C@@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576229 UMCMCYKHVWJOKE-FOIQADDNSA-N 366.461 4.870 0 1 FJAF c1ccc(Oc2ccc(Cn3cnnc3-c3ccc4[nH]cnc4c3)cc2)cc1 72317050 CVGBPSGVCJCEFD-UHFFFAOYSA-N 367.412 4.662 0 1 FJAF CC(C)N[C@@H]1CCOC[C@H]1CC(=O)c1ccc(C(F)(F)F)cc1C1CC1 96170645 NFFSQGZDLYYVNX-RDTXWAMCSA-N 369.427 4.559 0 1 FJAF COc1cccc(-c2ccc(Nc3ncccc3C(=O)O)c(Cl)c2)c1 103278706 DSXJHIZIMPKRPM-UHFFFAOYSA-N 354.793 4.852 0 1 FJAF c1cncc(CCNc2ccc3ncc(-c4ccc5ccccc5c4)n3n2)c1 115127415 ZNIXBGSPJBGFNO-UHFFFAOYSA-N 365.440 4.599 0 1 FJAF COc1ccc(N2C(=O)[C@@H](Oc3ccccc3)[C@H]2c2ccc(C)cc2)cc1 169602499 MLTKDLLYPUYNCO-YADHBBJMSA-N 359.425 4.539 0 1 FJAF Cc1nc(-c2ccccc2)sc1CNc1ccnc(NCC(C)C)n1 299868289 ZQAKYXXEFUVXBA-UHFFFAOYSA-N 353.495 4.589 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@@H](C)SCc3ccccc3)[nH]c2c1 586963865 RFSCJVFREVOUND-CQSZACIVSA-N 354.475 4.663 0 1 FJAF COc1cccnc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587097898 QLOLPCQZFJLXQM-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF O=C(Nc1cccc(-c2nc3cc(F)cc(F)c3[nH]2)c1)c1ccc(F)cc1 587163249 MYATYEDYUJTGCX-UHFFFAOYSA-N 367.330 4.900 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)CC3)cc1CN1CCCCC1 587211603 HFDFYMQHRGZCDU-UHFFFAOYSA-N 358.485 4.995 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587233013 HQFJISXCPSIHQT-JQWIXIFHSA-N 353.825 4.516 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3c(Br)cccc13)O2 587373402 UXZDZYZFLVSDJT-INIZCTEOSA-N 371.234 4.528 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587469669 OOSYPUNOZVDCOA-AZKPVJIOSA-N 357.450 4.640 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(CCOCc1ccccc1)CC2=O 587485467 WPYVHWZNWYFAHE-QFIPXVFZSA-N 354.446 4.676 0 1 FJAF O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2c1ccc1c2CCCC1 587515552 UTTLPVVUCWUDIO-UHFFFAOYSA-N 361.485 4.565 0 1 FJAF COc1ccc(OC)c(NC(=O)c2c(C)[nH]c3ccc(F)c(Cl)c23)c1 587631115 HAAJKDJEMSPHFI-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3c(F)cccc3F)c(C(=O)C(=O)OC)c2c1 587640926 GSVYOKWAVIZDEY-LLVKDONJSA-N 371.383 4.982 0 1 FJAF Cc1c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc(F)c1F 587721021 VFPYQNSXHIUHKF-WNWIJWBNSA-N 370.212 4.798 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCc2ccccc2F)N1 587730744 XYPOZOZBMDAHTO-BDJLRTHQSA-N 366.249 4.935 0 1 FJAF CCOc1ccccc1OCc1nc2ccc(Br)c(C)c2[nH]1 587779942 KAJYSGNJBIVUMJ-UHFFFAOYSA-N 361.239 4.612 0 1 FJAF COc1cccc(-c2cc(O)n(-c3ccc(O)c(-c4ccccc4)c3)c2O)c1 587927747 XTRBGQORRNXXOS-UHFFFAOYSA-N 373.408 4.937 0 1 FJAF NC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2c1 587949397 FHACOJWQOSKZLW-ACCUITESSA-N 355.397 4.625 0 1 FJAF Cc1c(Br)cc2[nH]c(C(=O)CCc3ccccc3)nc2c1C 587953959 XVRMKMKGLYRDHX-UHFFFAOYSA-N 357.251 4.758 0 1 FJAF c1cncc([C@H]2CCC[C@]23c2ccsc2CCN3Cc2ccco2)c1 962717791 VQGOTRWCWZPMQW-WIYYLYMNSA-N 350.487 4.957 0 1 FJAF Cn1cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ncc(-c3ccccc3)cc21 1857564938 CTIZJXDDHLAILM-UHFFFAOYSA-N 366.424 4.974 0 1 FJAF CCCCn1cc(CN2CCCCC2)c2cc(Br)cnc21 1857768315 WJWBWUFTYRLDSL-UHFFFAOYSA-N 350.304 4.585 0 1 FJAF COc1cc2c(cc1O)[C@@]1(C)[C@H](C)c3ccc(OC)c(OC)c3C[C@H]1CC2 2356328754 FUPJEWGULFOIHV-NHBFPYQTSA-N 368.473 4.598 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356387342 PSEOFDBPRHEIQU-CZAWHOBRSA-N 372.549 4.991 0 1 FJAF COC(=O)C(=CCC[C@@H](CCCc1ccoc1)C(=O)O)CCC=C(C)C 2356503438 HXALOZYLMZYNEY-GOSISDBHSA-N 362.466 4.929 0 1 FJAF CC(C)=CCCC(C)=CCC[C@@H](CC(=O)c1cc(O)ccc1O)C(=O)O 2356654169 PNXHXPQJFNVWQM-INIZCTEOSA-N 360.450 4.844 0 1 FJAF Nc1ncc(-c2ccc3c(c2)CC[C@H]3C(=O)O)cc1-c1ccc(Cl)cc1 2382227204 GWSFVTDGWLQLIO-GOSISDBHSA-N 364.832 4.766 0 1 FJAF CN(C)C[C@@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 28521181 FXHLGRYCQSRFHY-RFUYNDQBSA-N 374.278 4.730 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(C(=O)OC)cc21 28571705 DACQOKGPDFDFGY-UGSOOPFHSA-N 364.272 4.966 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(C3CCCC3)C[C@@H]2C1 29127710 MJQVOFAVZVQEPV-XUZZJYLKSA-N 350.550 4.603 0 1 FJAF CCN(CC)CCCNCc1nccc2c3ccccc3n(CC(C)C)c12 72118467 KRNKSFHFWGGRDC-UHFFFAOYSA-N 366.553 4.667 0 1 FJAF COc1ccc(Nc2cc3c(cn2)nc(Nc2ccccc2)n3C)c(C)c1 74388460 AGXFWGZLKQHLOS-UHFFFAOYSA-N 359.433 4.773 0 1 FJAF Cc1ccc([C@H]2N(C)c3ccccc3C(=O)N2c2ccccc2F)s1 95585460 OXNJNBSKIGARTB-IBGZPJMESA-N 352.434 4.991 0 1 FJAF Cc1cccc(Oc2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc2)c1 145871856 XZUCOWDYJTXXQD-UHFFFAOYSA-N 366.505 4.826 0 1 FJAF COC(=O)N1C[C@H]2[C@@H]1[C@@H]1[C@H]3C[C@@H](C(c4ccccc4)=C3c3ccccc3)[C@@H]21 299815409 FZZYGBFGNWPQRI-VFEGKJSPSA-N 357.453 4.560 0 1 FJAF Cc1cc(-c2nc3nccc(Cl)c3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879893 UCUGLXCTCDXRKJ-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2ccc(Br)nc2[nH]1 586896808 QLANQNWPRJUCRT-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ncccc3Cl)nc3ccc(O)c1c23 586986213 PJNCNWXVMKMQAO-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF Cc1cc2c(Br)ccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2o1 587003194 HCWRDRMHDNGYEE-UHFFFAOYSA-N 371.190 4.745 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)s1 587013992 FUCUZVPPFFZCAB-LURJTMIESA-N 359.348 4.649 0 1 FJAF O=C(/C=C/c1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1ccc(F)cc1 587167835 YAGOXOIBOVIRIJ-AATRIKPKSA-N 350.180 4.661 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2ccc(-c3ccc(N)c(N)c3)cc2[nH]1 587168635 KAGRLYCWNUQEDJ-LBPRGKRZSA-N 362.408 4.673 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC(=O)OCC)(CC1CCCC1)CC2=O 587483206 PTLAARWWCGKFCR-JOCHJYFZSA-N 374.477 4.582 0 1 FJAF Cc1ccc([C@H](C)C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587614540 CICWZTDTNZHSIG-CAYVGHNUSA-N 364.397 4.818 0 1 FJAF Cc1ccc(OC[C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587801334 KIAWKZIOAHTXFU-LRDDRELGSA-N 364.258 4.551 0 1 FJAF Cc1ccccc1C[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587813746 PNLVZUWSPKMHET-ORAYPTAESA-N 362.286 4.889 0 1 FJAF COc1cc2c(cc1OC)[C@]1(C[C@@H](OC(C)(C)C)C13CCC3)N(C)[C@@H](C)C2 962620959 ANZQYGGJBATVTL-NQKDMWHGSA-N 373.537 4.533 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc(Br)c2)N1 962939607 BOZUXBIPAUVKQS-FZKQIMNGSA-N 371.278 4.650 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(NC(C)=O)c1 963235062 FOBZWXIEKCDHLB-WAIKUNEKSA-N 366.505 4.574 0 1 FJAF CCCc1cc(C(=O)OC)c(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 1857596740 HLKDZYINEJZWIB-UHFFFAOYSA-N 361.507 4.642 0 1 FJAF COc1ccccc1-n1c(N)c2c(C)c(-c3ccccc3)[nH]c2nc1=S 5552253 FKNMYOLBVZNZSS-UHFFFAOYSA-N 362.458 4.649 0 1 FJAF COc1ccc(-c2cc(-c3cccs3)c(=O)n(C)c2-c2ccncc2)cc1 13473218 HBBBENORIXSUJV-UHFFFAOYSA-N 374.465 4.851 0 1 FJAF CC(C)c1ccc(O[C@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 13604691 MDVCNGJZGHUFFV-QGZVFWFLSA-N 352.352 4.904 0 1 FJAF CC(C)CC[C@]1(c2ccccc2)CC(=O)[C@H](Sc2ccccc2)C(=O)O1 17991897 DZTDBSQBBORCIN-RBBKRZOGSA-N 368.498 4.995 0 1 FJAF CC[C@](O)(c1cccc(OC/C=C/c2ccccc2)c1)c1nccs1 26290423 RSWBEJZSPDPBFG-CLNPQZTCSA-N 351.471 4.881 0 1 FJAF CCCCOC(=O)NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 28891188 FHSPYURXUUPIND-UHFFFAOYSA-N 363.461 4.813 0 1 FJAF Cc1ccc([C@]2(N3CCOCC3)OC(C)(C)c3cccc4cccc2c34)cc1 31908519 BRLBHHZTVVFJQM-VWLOTQADSA-N 373.496 4.947 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2ccccc12 95583115 MXWHQDKBDRIKNI-LJQANCHMSA-N 365.889 4.888 0 1 FJAF CC(C)c1ccc(C2=C[C@@H](c3ccc(C(C)C)cc3)n3nnnc3N2)cc1 102697986 LDCRURCEEVVMHI-NRFANRHFSA-N 359.477 4.976 0 1 FJAF N=c1ccn(CCCCCCn2ccc(=N)c3ccccc32)c2ccccc12 377551735 XBUQODRYKUUWKL-UHFFFAOYSA-N 370.500 4.816 0 1 FJAF COc1ccc(-c2cc(=O)c3c(ccc4c3ccn4CC3CC3)[nH]2)cc1OC 473113530 JEHBNHDNBROFBE-UHFFFAOYSA-N 374.440 4.577 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@H]3Cc4ccccc4S3)nc12 587043607 SYDCVLBZYAIICJ-SNVBAGLBSA-N 366.671 4.763 0 1 FJAF C[C@H](c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1)n1cc(Cl)cn1 587079404 JMDLUNBJPCDHDH-ZCFIWIBFSA-N 365.142 4.574 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc12 587084719 HRGDLYUMZDVOSP-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ccc(OCC)cc13)CC2=O 587481689 HGZNREAGEOGFHB-OAQYLSRUSA-N 365.429 4.931 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1Cl 587500045 XZLNXYGRZRHIJE-GOSISDBHSA-N 372.848 4.943 0 1 FJAF COc1cccc(C[C@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524757 MPGKLGSSXNYVPM-XMMPIXPASA-N 362.469 4.931 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)c1ccccc1Oc1cccnc12 587527305 SFFRFIAHMUTHSE-DEOSSOPVSA-N 369.420 4.975 0 1 FJAF CC[C@@]1(c2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587535219 JMYZLNOYWPROQR-QFIPXVFZSA-N 350.414 4.565 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc(Cl)c1F 587570781 YOHHBNUOQDBRGI-JXFKEZNVSA-N 370.763 4.888 0 1 FJAF Cc1ccc2c(c1)[C@]1(CCC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587605115 XNEPNPSAVBDBIT-QPPBQGQZSA-N 372.420 4.894 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c([C@H](N=O)C(=O)OC)c2c1 587644487 XEIPRKYXVQETTA-BLVKFPJESA-N 351.406 4.724 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccccc2F)N1 587730749 XYPOZOZBMDAHTO-ZBEGNZNMSA-N 366.249 4.935 0 1 FJAF COc1cc2nc(-c3cc(OCc4ccccc4)ccc3O)[nH]c2cc1C 587782960 UEELSPHQPOCNKT-UHFFFAOYSA-N 360.413 4.832 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cc[nH]c23)N1 587800515 BEYQJYAEYYIJKF-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(F)cc(Br)c3[nH]2)c1 587932840 WIPHSNZWYRWPNF-JTQLQIEISA-N 363.230 4.819 0 1 FJAF COc1ccc2c(c1)C[C@@H](c1nc3cccc(Br)c3[nH]1)CC2 587935226 QWDHQANEPPMOGC-LBPRGKRZSA-N 357.251 4.607 0 1 FJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587951792 RHMCXWXQTKTLDC-NSHDSACASA-N 350.349 4.693 0 1 FJAF CCc1sc2ncnc(O[C@H](C)C(=O)O)c2c1-c1ccc(C(C)C)cc1 1857550112 RRQUIUQXUVYFAK-GFCCVEGCSA-N 370.474 4.896 0 1 FJAF O=C(c1nc2ccccc2o1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857558937 HUMUKTMRBPCLOX-UHFFFAOYSA-N 374.362 4.866 0 1 FJAF Cc1ccccc1C(=O)CCCN1CCC(O)(c2ccc(Cl)cc2)CC1 1857574116 QNKFKUPQFLVBHA-UHFFFAOYSA-N 371.908 4.595 0 1 FJAF Cn1nc(C23CC4CC(CC(C4)C2)C3)cc1[C@@H]1COC2(CCCCC2)O1 1857575059 OLWQVDPYHFNNOF-ILCGBQQYSA-N 356.510 4.636 0 1 FJAF Cc1ccc([C@H](C)Nc2ccc3c(c2)N(C2CC2)[C@@H](C)C(=O)N3C)c(C)c1 1857643940 SVQCMDHUVKEZPE-IRXDYDNUSA-N 363.505 4.810 0 1 FJAF CC(C)CNC(=O)C=CC=CCCCCC=Cc1ccc2c(c1)OCO2 2356536835 RPOYGOULCHMVBB-UHFFFAOYSA-N 355.478 4.874 0 1 FJAF CC(C)[C@@]1(O)CC[C@@H](C)[C@H]2CCC(COC(=O)Cc3ccccc3)=C[C@@H]21 2356538334 AXHPCMJFAOEIJI-CPDIYIAASA-N 356.506 4.542 0 1 FJAF O=C(CN1[CH]C=CC(Cc2ccccc2)=C1)c1ccc(Br)cc1 2356853147 SUHGKQNPCXDPIW-UHFFFAOYSA-N 367.266 4.792 0 1 FJAF CCc1c(C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)OC 5477174 GWVIAFKOOTWESB-UHFFFAOYSA-N 359.491 4.955 0 1 FJAF O=C(Nc1ccccc1)O[C@@H]1C=CC=C[C@@H](OC(=O)Nc2ccccc2)C1 16919306 TVUPLWUELDGWJI-RTBURBONSA-N 364.401 4.737 0 1 FJAF biogenic CN(CC[C@@H](Oc1ccc(Cl)c(Cl)c1)c1ccccc1)CC(=O)O 26150172 APNYNODJCWEDNP-QGZVFWFLSA-N 368.260 4.520 0 1 FJAF CCCc1cc(CCCOc2c(C)cc(-c3noc(C)n3)cc2C)on1 26481497 NQBLUTKEYINJIK-UHFFFAOYSA-N 355.438 4.614 0 1 FJAF CCN(CC)c1ccc(NC(=O)[C@@]2(C)CCc3cccc(OC)c3C2)cc1 28346495 JZTSBKMDBFJSAS-QHCPKHFHSA-N 366.505 4.675 0 1 FJAF O=C1C[C@H](O)C[C@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccccc2)O1 29480419 YUDDKXRBCZPNFK-CNBITHIKSA-N 363.240 4.740 0 1 FJAF O=C(c1ccc(OCCN2CCCCC2)cc1)c1cccc2ccccc12 40564661 VHZPCXJEAFDJIK-UHFFFAOYSA-N 359.469 4.936 0 1 FJAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1cccc(Cl)c1 42878895 FXSVJSIAKNIGOC-UHFFFAOYSA-N 364.792 4.516 0 1 FJAF C[C@@H]1CNc2c(sc3ccc4nc(-c5ccccc5)ccc4c23)C(=O)N1 43061440 LVKGEKFNCBTKTM-GFCCVEGCSA-N 359.454 4.660 0 1 FJAF CCCN(CC1CC1)c1cc(Br)cc(Br)c1O 66079755 JVMBPVXNZOBLBG-UHFFFAOYSA-N 363.093 4.544 0 1 FJAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)OCCCc1ccc(Cl)cc1 72316889 FFRNSILDSRHZLI-QGZVFWFLSA-N 358.869 4.598 0 1 FJAF CNc1nc2cnc(Nc3cccc(C(F)(F)F)c3)cc2n1CC1CC1 74388794 ADLWMWHQPMOEIT-UHFFFAOYSA-N 361.371 4.645 0 1 FJAF CCCC[C@@H](CC)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 169316725 OIQPCFHRGUSHSO-FQVCFZMTSA-N 364.526 4.916 0 1 FJAF CCc1nc2cc(NC(=O)C3CC3)ncc2cc1-c1ccccc1Cl 169700087 RESHWACOYWTECP-UHFFFAOYSA-N 351.837 4.861 0 1 FJAF Cn1nc2c(c1C1CCCCC1)-c1nc(Nc3ccccc3)ncc1CC2 169702217 ZWKVWVLAKCJKIP-UHFFFAOYSA-N 359.477 4.767 0 1 FJAF Nc1cnc(-c2ccc(C3CCC3)c(OCc3ccccc3F)c2F)cn1 212179130 IRRFDJWUJDEBOW-UHFFFAOYSA-N 367.399 4.851 0 1 FJAF C[C@@H]1NC[C@]23CC[C@@H]4[C@@]5(C)CC[C@H](N(C)C)CC5=CC[C@@]4(C)[C@@H]2CC[C@H]13 238734453 BUIVDTLPPVBRTG-NKNFASSNSA-N 356.598 4.858 0 1 FJAF C[C@]1(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 261157469 QFGBXMNKPLHDLK-MKALVCDESA-N 367.533 4.707 0 1 FJAF Cc1cc(-c2nc3ncc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879326 OEDBKAMUXBTUDD-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF O=C1O/C(=C/c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586906846 RSPVTPBMUKEJHQ-RIYZIHGNSA-N 362.332 4.843 0 1 FJAF COc1nccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975269 LGYRYKJIKBKVLI-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CC(C)C[C@@H](Cc1cccc(Br)c1)c1nc2cc(=N)[nH]cc2[nH]1 586981893 FYTMOMNWQOUBKJ-ZDUSSCGKSA-N 373.298 4.505 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)ncc2[nH]1 587062850 XFBKXLKELOLIHV-GFCCVEGCSA-N 366.646 4.904 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccnc(Cl)c2[nH]1 587162859 KFGJLEQKMMYPSB-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2ccc(OC(C)C)cc2[nH]1 587228886 JBWXNRBRBFGTNB-UHFFFAOYSA-N 353.466 4.712 0 1 FJAF COc1cc2nc(CCCNc3cc(C)ccc3OC)[nH]c2cc1Cl 587229044 MFOPHWRVALSBLM-UHFFFAOYSA-N 359.857 4.587 0 1 FJAF CCOC(=O)c1ccccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521500 DBMWHTNNCPUEBR-HSZRJFAPSA-N 364.441 4.623 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1c(F)cccc1Cl 587558668 SREOAWJFLRKAQA-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF CCCc1csc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)n1 587613844 QSYRDECLKZSKTN-VQIMIIECSA-N 367.426 4.504 0 1 FJAF Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)cc1F 653692159 YIZKMKXNNZUTOB-UHFFFAOYSA-N 374.734 4.851 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCN(C)C(=O)OC(C)(C)C)N1 962954951 LSGQNFMHQMLBML-NYHFZMIOSA-N 371.525 4.564 0 1 FJAF COc1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1OC(F)F 963102063 KCBGGHDYZPUZRR-AUUYWEPGSA-N 363.379 4.546 0 1 FJAF CCC[C@@H](CC)C[C@@]1(c2ncco2)NCCc2c(OC)ccc(Cl)c21 963268923 BGALWPUXPBADMQ-JLTOFOAXSA-N 362.901 4.942 0 1 FJAF CCCCCC[C@@H](O)C/C=C\CCCCCCC(=O)N1N=C(C)CC1=O 1857747761 BHTXCEXIJSOXOL-UZRURVBFSA-N 364.530 4.739 0 1 FJAF CCCC[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@H](O)CC(=O)O 2356509230 IKTPWVGSUROYSG-QEUVDIPISA-N 356.547 4.932 0 1 FJAF Cc1[nH]c2c(C)cccc2c1CN1CCC(CO)(Cc2ccccc2)CC1 13596887 BYHBJKWGXFGDAI-UHFFFAOYSA-N 362.517 4.602 0 3 FJAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2ccc(F)c(Cl)c2)cs1 61906289 LHFYQPNPJLIUPF-HNNXBMFYSA-N 355.768 4.963 0 3 FJAF CCCCCCC1=NO[C@H](c2cccc3ccccc23)[C@@H]1C(=O)N(C)C 4295581 PQXKPWPKHQGQIL-NHCUHLMSSA-N 352.478 4.942 0 1 FJAF C[C@H](c1ccc(-c2ccc(C(F)(F)F)cc2)c(F)c1)c1noc(O)n1 13672542 BGBIRITUKVVOAT-SECBINFHSA-N 352.287 4.752 0 1 FJAF c1cc(CN[C@@H]2Cc3ccc(-c4cccs4)cc3C2)cc(-n2ccnc2)c1 45229276 ZFWHMHRJBPCMRA-OAQYLSRUSA-N 371.509 4.858 0 1 FJAF CCCCCn1cc(C(=O)NC2CCCCC2)c(=O)cc1-c1ccccc1 66260180 VAYYGQWEIKYLAM-UHFFFAOYSA-N 366.505 4.768 0 1 FJAF O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccccc1CCCO 84635494 PQCGIXKLEINJLJ-UHFFFAOYSA-N 372.774 4.928 0 1 FJAF CCOc1ccc(-n2nnc3cc(NCc4ccc(CC)cc4)ccc32)cc1 95596157 RXJKWAXGQYONBT-UHFFFAOYSA-N 372.472 4.994 0 1 FJAF CCC(=O)[C@@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(Cl)c(Cl)c1)CN32 100809421 JVJYOCYVDQOIIM-PHMDCNFZSA-N 350.289 4.839 0 1 FJAF Cc1ccsc1CN(C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 101152208 REFOKOYWCWAHCW-BWTSREIZSA-N 370.518 4.825 0 1 FJAF CCOP(=O)(OCC)[C@@H](NC(=O)c1ccccc1)c1ccccc1F 103203743 HRRJSMWSEJNTSZ-GOSISDBHSA-N 365.341 4.520 0 1 FJAF COc1cccc(-c2cc(F)c(Nc3ncccc3C(=O)O)c(F)c2)c1F 103277443 KEAJNQHFGOGZID-UHFFFAOYSA-N 374.318 4.616 0 1 FJAF COc1ccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)cc1 103296091 WGUGXXDMVYLMFE-UHFFFAOYSA-N 368.396 4.751 0 1 FJAF O=C1NC[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2[nH]cnc2c1 116194241 QYCCTMGDALJSAQ-NRFANRHFSA-N 354.413 4.501 0 1 FJAF C[C@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(c1ccccc1)CCN2C/C=C/Cl 169315350 KGNAPNYIRWVYNQ-GUHZETIQSA-N 353.893 4.697 0 1 FJAF C[C@@]1(/C(O)=C/O)CC[C@@H]2[C@@]3(C)CCC[C@@](C)(C(=O)O)[C@@H]3CC[C@@]2(C)O1 238783760 DEWLHZQVWXKVNO-ONEFEOGTSA-N 352.471 4.579 0 1 FJAF Cc1ccc(CSCCc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1 586971476 XVVQSXNDBXLOOG-UHFFFAOYSA-N 351.397 4.761 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587104532 RIAGYFHONDUECA-QGZVFWFLSA-N 372.424 4.568 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nccc(Cl)c13)CC2=O 587461910 OAGUAYQLGJJIAD-MRXNPFEDSA-N 356.809 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)c(OC)c(C)c1C)CC2=O 587481750 SAMNOTLIEVNLKR-HXUWFJFHSA-N 354.446 4.985 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(Cl)=COc1cc(O)ccc12 587496912 CHUFUIIBJGAMDA-NRFANRHFSA-N 368.816 4.604 0 1 FJAF O=C1C[C@@H](c2c(Cl)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 587498440 IMAFFBFZDVDOMI-KRWDZBQOSA-N 352.821 4.753 0 1 FJAF CCCC[C@@H](C(=O)OCC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525633 QOAKWHKGCQIMRG-PGRDOPGGSA-N 358.478 4.659 0 1 FJAF C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549932 TYYLNBMSZJMXTA-GHTZIAJQSA-N 366.800 4.923 0 1 FJAF Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587556325 JKKWFSBNBHGFGA-DYESRHJHSA-N 368.335 4.682 0 1 FJAF CC(C)(C)n1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587575868 GPEMPLULBUFMGB-WIYYLYMNSA-N 363.413 4.652 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCC(F)(F)F)N1 587708832 FCBIUQILZKXNRI-OQPBUACISA-N 354.185 4.680 0 1 FJAF CC(C)n1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587758310 WNJXAGDRXKFGTR-PIGZYNQJSA-N 351.263 4.594 0 1 FJAF Cc1ccccc1C(C)(C)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 587955932 WSCOKNAZSMCICR-UHFFFAOYSA-N 373.250 4.658 0 1 FJAF C1=C(c2nc3ccccc3[nH]2)C(c2ccccc2)=NN[C@H]1c1ccccc1 1857611823 KXPPNHKAPGKXES-OAQYLSRUSA-N 350.425 4.695 0 1 FJAF CCCC=CCCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@H]1O 2356462276 MAPUWVOKJMDGSL-ZVDOUQERSA-N 354.531 4.529 0 1 FJAF O=C(Nc1ccc(F)cc1)Nc1ccc(OC(=O)c2ccccc2)cc1 2382244359 XFAMGZVCKURGMA-UHFFFAOYSA-N 350.349 4.689 0 1 FJAF CCC(=O)N[C@@H]1c2cncc(-c3ccc(C(F)(F)F)cc3)c2CC[C@@H]1C 205713313 XWASZJSYLNOOBU-BUXKBTBVSA-N 362.395 4.917 0 1 FJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cnccn1 253635504 QVTBBCPMVZFZTF-XAFQUIJGSA-N 350.506 4.794 0 1 FJAF Cc1cc(OCc2c(Cl)cccc2Cl)c2cccc(C(N)=O)c2n1 473096653 ZOQKUSPSFTZJRE-UHFFFAOYSA-N 361.228 4.528 0 1 FJAF COc1cc2c(cc1OC1CCCC1)CN(Cc1ccccc1F)CC2 473248975 RNATVJQFNGBLNH-UHFFFAOYSA-N 355.453 4.714 0 1 FJAF Clc1ccc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)nc2c1Cl 587082753 FLBNYRBFNMIQLD-UHFFFAOYSA-N 358.184 4.814 0 1 FJAF Fc1cnc(Cl)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587084549 BWCPGKPKBIUTDK-UHFFFAOYSA-N 360.179 4.528 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c2n1 587109733 SZNAJFYWVWIJBZ-UHFFFAOYSA-N 363.339 4.639 0 1 FJAF Cc1cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc2cc1Cl 587126456 BIEOTUGFMOZYIX-UHFFFAOYSA-N 366.730 4.967 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4c(N)ccnc4[nH]3)c(Cl)c2)cc1F 587147719 YOYXZHRNZRAOLU-UHFFFAOYSA-N 352.800 4.975 0 1 FJAF Cc1cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c2cc1Br 587198167 ZVOLATRYMOVHOW-LBPRGKRZSA-N 358.283 4.852 0 1 FJAF COc1cc2nc(-c3cccc(NC(=O)CC(C)(C)C)c3)[nH]c2cc1OC 587241737 HNNGSCHSMZIUTF-UHFFFAOYSA-N 367.449 4.622 0 1 FJAF C[C@]1(Cc2ccsc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587372650 FSZDCBNBXFTSNC-TZIWHRDSSA-N 368.429 4.953 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)c3ccsc3c1)CC2=O 587494092 IAGAXFYIPGNRDG-GOSISDBHSA-N 354.427 4.972 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCOc3cc(C)c(C)cc31)CC2=O 587494685 ZQQHILFDXMFPMT-HSZRJFAPSA-N 366.457 4.995 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c2ccoc2c1 587617536 QCIBXOOORIYWCI-KNQAVFIVSA-N 374.348 4.547 0 1 FJAF O=C(c1ccc(F)cc1)c1c(C(F)(F)Cl)[nH]c2c(C(=O)O)cccc12 587638801 QJFPALSMJOKCNG-UHFFFAOYSA-N 367.710 4.524 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ncccc3c2)N1 587779175 QONVHHIYCWQGNV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CC(C)c1csc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587849918 BQTYQKJYLJVKHI-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(OC)c(F)cc4[nH]3)c2)c1 587933092 UQCFBLNLOIEWNY-UHFFFAOYSA-N 364.376 4.759 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cnc2ccccc2c1 962715008 UVBRMFFDRRNCPF-VGOFRKELSA-N 364.489 4.827 0 1 FJAF Cc1[nH]c(C)c([C@H]2c3c(F)cccc3C[C@H]3CCCN32)c1Br 963103265 KXHMSNHLRCZZJN-ACJLOTCBSA-N 363.274 4.643 0 1 FJAF COc1ccc(NCc2ccc(CNc3ccc(OC)cc3)s2)cc1 1857550969 XXZCNJFBGWXPBS-UHFFFAOYSA-N 354.475 4.990 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3C[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@]12O 2356651463 OMUWPNNQUCLTRC-FMROUHSJSA-N 372.549 4.508 0 1 FJAF Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Nc2ccncc2)cc1 12365484 YQNWOWVFDPJBQU-UHFFFAOYSA-N 364.453 4.500 0 1 FJAF C1=C(c2c[nH]c3ccccc23)CCN(CCOc2cccc3[nH]ccc23)C1 13437400 FYTVHEDPTPLICQ-UHFFFAOYSA-N 357.457 4.817 0 1 FJAF CC1(C)CC2(CC(C)(C)N1)OC1(CCCCCCCCCCC1)NC2=O 32288470 IVVLFHBYPHTMJU-UHFFFAOYSA-N 364.574 4.813 0 1 FJAF CC(=O)N1N=C(Nc2nc3ccc(Cl)cc3s2)C[C@@H]1c1ccccc1 45259588 DEKIIMZJSLIXGB-OAHLLOKOSA-N 370.865 4.669 0 1 FJAF O[C@@](c1ccc(Cl)cc1)(c1cccnc1)c1cccc(Br)c1 72185493 GCAPTWCCEMALDF-GOSISDBHSA-N 374.665 4.782 0 1 FJAF Nc1cccc(Oc2ccc(-c3nc(C4CCC4)n4ccnc(N)c34)cc2)c1 96168287 YWYXXNWXOIILBY-UHFFFAOYSA-N 371.444 4.621 0 1 FJAF c1ccc(CNCC[C@]2(c3ccccn3)CCOC3(CCCC3)C2)cc1 96940341 XESNQMLFTITTNJ-QFIPXVFZSA-N 350.506 4.623 0 1 FJAF CCC(=O)N(c1ccccc1)[C@H]1CCCN(CCc2cccs2)CC1 103230038 JMBXBTYIZOYHHH-IBGZPJMESA-N 356.535 4.588 0 1 FJAF CN(C)CC1(Cc2ccccc2)CCC(c2ccccc2)(N(C)C)CC1 146939173 GYALLMOUGBOOBL-UHFFFAOYSA-N 350.550 4.808 0 1 FJAF CCC(=O)[C@H]1[C@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@H]2CC[C@H]1N2C 253688341 AEOXYMZMDLKZPQ-FCPLFNEUSA-N 365.517 4.956 0 1 FJAF CC(C)c1nc2cc(C(=O)O)ccc2n1-c1ccc(Br)cc1 314090384 GYQKAOOFLCAAHB-UHFFFAOYSA-N 359.223 4.610 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc3cn[nH]c3cc2[nH]1 586997533 YTUQCOLSZAJQOF-UHFFFAOYSA-N 371.238 4.516 0 1 FJAF Cc1nc(COc2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)cs1 587020000 BIHUOAVYMCSSBG-UHFFFAOYSA-N 357.385 4.852 0 1 FJAF Oc1nc2cc3nc([C@@H]4C[C@H]4c4c(Cl)cccc4Cl)[nH]c3cc2[nH]1 587050017 OAMWANKTYVQWKW-HTQZYQBOSA-N 359.216 4.723 0 1 FJAF Cc1c(Br)ccc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 587059049 MBXHPWHVRIVSCV-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF CC(C)Oc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587078868 CTEDDNITZIHUEA-INIZCTEOSA-N 368.868 4.727 0 1 FJAF Cc1c(Cl)ccc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127595 YNRUJMMVUAUZBA-UHFFFAOYSA-N 366.730 4.967 0 1 FJAF Oc1c(F)cc(F)cc1-c1nc2cc(Cl)cc(Br)c2[nH]1 587133879 GLJXAWGDNQZQHO-UHFFFAOYSA-N 359.557 4.630 0 1 FJAF CC(C)Oc1cc2nc(/C=C\c3ccc(N)cc3)[nH]c2cc1Br 587251560 IUGAJPCCCNZSPH-YVMONPNESA-N 372.266 4.865 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3ccccc3)c1C)CC2=O 587475027 KEKBCPBWZFSFFH-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccs1)CC2=O 587494280 KPTABAJKVCNIGQ-INIZCTEOSA-N 354.431 4.503 0 1 FJAF CC1(C)CC(C)(C)[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604651 VAEOPTRPPPEURT-VGSWGCGISA-N 352.430 4.939 0 1 FJAF Cc1ccccc1OC[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587800657 HHOQIPZTOHYQRS-YVEFUNNKSA-N 364.258 4.551 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCC[C@@H]2C2CC2)N1 587823672 QUUOYCGSWNKUII-YRILPIOLSA-N 352.291 4.918 0 1 FJAF CC[C@@]1(Cc2nc3c(C)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587958929 AGRZOQZBDPPPJE-FQEVSTJZSA-N 353.853 4.688 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1[C@H]1CN(C)CC[C@@H]12 963235749 RUWIOSWOBMVDFW-TXQMCKRASA-N 360.545 4.636 0 1 FJAF COc1ccc2c(=O)c(C)c(-c3ccc(-n4cc(F)c(F)c4)cc3)[nH]c2c1 1772586036 LMPAISWBQDCZMO-UHFFFAOYSA-N 366.367 4.581 0 1 FJAF CCc1sc2ncnc(N[C@@H](C)C(=O)O)c2c1-c1ccc(SC)cc1 1857542745 GFULCKBEUTVRBV-JTQLQIEISA-N 373.503 4.528 0 1 FJAF Cn1c(C[C@H](OC(C)(C)C)C(=O)O)c(-c2ccccc2)c2ccccc21 1857562498 UUMJQTQINGFTLL-IBGZPJMESA-N 351.446 4.656 0 1 FJAF Fc1ccc(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)c(F)c1 3948881 VZTJNVJKEKIGHC-UHFFFAOYSA-N 352.344 4.597 0 1 FJAF C[C@@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1[C@@H]2C)OCc1ccccc1 13475630 CUHNXKIICYLWNY-GASWSPIPSA-N 365.517 4.522 0 1 FJAF CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1-c1ccc(C(C)=O)o1 28222714 ZZDRZKWZAPAUDJ-UHFFFAOYSA-N 373.792 4.563 0 1 FJAF COc1cccnc1C(=O)c1oc2cc(-c3ccccc3)cc(O)c2c1C 28378085 RDJABULTTKJTHB-UHFFFAOYSA-N 359.381 4.748 0 1 FJAF CN[C@@H]1CCC[C@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 43205513 FMQPLHSUIOCWGC-UONOGXRCSA-N 352.507 4.912 0 1 FJAF CCCSc1c(C=O)ccc2c1sc1nc3n(c(=O)c12)CCCCC3 45256571 PBFMFGRKBSWRMH-UHFFFAOYSA-N 372.515 4.652 0 1 FJAF COc1ccc2[nH]c(C(=O)Cc3cccnc3)cc2c1OCc1ccccc1 66080229 HTDOIUAOJMEEGR-UHFFFAOYSA-N 372.424 4.576 0 1 FJAF CC[C@H](C)NC(=O)c1cnc(NC2CCCCC2)nc1-c1cccc(C)c1 82146180 URKYGETTWBGAHP-INIZCTEOSA-N 366.509 4.725 0 1 FJAF c1ccc(C2=NO[C@@H](c3c[nH]c4ccccc34)[C@H]2CN2CCCCC2)cc1 103288094 XOGORRVTFIQINH-REWPJTCUSA-N 359.473 4.746 0 1 FJAF Nc1nc(-c2ccc(Cl)o2)nc2sc(CN3CCCCCC3)cc12 140482367 OJRPIQOVUDLNTN-UHFFFAOYSA-N 362.886 4.563 0 1 FJAF Cn1nc(-c2ccco2)cc1-c1ccc(C(=O)Nc2ccccc2F)s1 142591006 IKSDRWFOWYSXKO-UHFFFAOYSA-N 367.405 4.800 0 1 FJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3cccc4occc34)CC2)CC1 168982941 JQMOQEGMADHTMB-PUZFROQSSA-N 368.521 4.697 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)NCC[C@@]43C)C1=CC=C2c1cccnc1 169253657 ZIBMECBYPXQGHF-CYELZPNWSA-N 362.517 4.764 0 1 FJAF Cc1cc(-c2nc3cc4[nH]ncc4cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586881112 UJPPWVRXJGJXCC-UHFFFAOYSA-N 368.396 4.780 0 1 FJAF CSc1ccc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2c1 586902181 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NFIRPRHHJHWQHI-BZNIZROVSA-N 360.336 4.727 0 1 FJAF Cc1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1C 587921093 RYGWPNOUVGUKMZ-MHWRWJLKSA-N 351.427 4.758 0 1 FJAF CCOC(=O)COc1cccc(-c2nc(-c3ccc(F)cc3)cs2)c1 587922578 FSILLMKZUKPVII-UHFFFAOYSA-N 357.406 4.558 0 1 FJAF COc1cc(C(C)=O)c(OC)n1-c1ccc(-c2cccc(F)c2)c(F)c1 587943702 OEFFQZNNJWUXIF-UHFFFAOYSA-N 357.356 4.642 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@]2(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 963733700 YBARJIOGEZXHNQ-KSFYIVLOSA-N 368.521 4.865 0 1 FJAF Cn1c(=Nc2ccccc2)[nH]c2cnc(-c3cccc4ccccc34)cc21 1857619858 UJOXPOOTHRTSAP-UHFFFAOYSA-N 350.425 4.954 0 1 FJAF CC[C@](O)(C(=O)NCCC(c1ccccc1)c1ccccc1)c1ccccc1 13586438 UMRHVJNUPPAJDE-RUZDIDTESA-N 373.496 4.623 0 1 FJAF COC(=O)CCCC[C@@H](O)/C=C/C=C/CCCCCCCCCC(=O)O 26578230 QAHOUNOSDXSFRI-UMEBNZHCSA-N 368.514 4.789 0 1 FJAF C[C@H]1S[C@@H](c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O 40423920 LKXQTLAWFJJCNQ-HWPZZCPQSA-N 353.274 4.551 0 1 FJAF FC(F)(F)c1ccc2nc([C@@H]3CCN(CC4CCCCC4)C3)[nH]c2c1 51048290 ODKXVNZMYZIRNB-CQSZACIVSA-N 351.416 4.951 0 1 FJAF biogenic CC[C@@H](C)c1cc(C=O)cc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc12 71317105 RHIVEPKROVSMOM-CYBMUJFWSA-N 366.413 4.803 0 1 FJAF Cc1cccc(/C(=C2/C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)c1 84732315 HUZASWYVHNVIPP-MRCUWXFGSA-N 351.409 4.783 0 1 FJAF O=C1Nc2ccccc2/C1=C(/c1cccc(F)c1)c1nc2ccccc2[nH]1 84740257 MEVPRNFNZQYFKY-FMQUCBEESA-N 355.372 4.613 0 1 FJAF CN1CCC(c2ccccc2)=C(C(=O)OCCc2cccc3ccccc23)C1 95593291 KPAAMRKQCRIZJP-UHFFFAOYSA-N 371.480 4.715 0 1 FJAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1O)/C=C\2 102207199 BZZGXVKXJIAYSN-FPLPWBNLSA-N 370.445 4.911 0 1 FJAF CC[C@@H](C)[C@@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197794 NXJYCVLHPIOEMR-NXEZZACHSA-N 359.417 4.902 0 1 FJAF COc1cccc(Nc2nccc(-c3ccc(Br)cc3)n2)c1 103300958 XAZUMZBSSLUNBD-UHFFFAOYSA-N 356.223 4.658 0 1 FJAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1c1ccc(Cl)cc1 103543638 QSYKLVXEQJSDAF-PQMNFKMDSA-N 363.841 4.541 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)[C@H](OCCCN1CCCCC1)CC2 169322583 UQVPGYSXWRNIIG-OAQYLSRUSA-N 354.494 4.838 0 1 FJAF CCOC(=O)c1sc2c(c1C)[C@H](c1cccs1)[C@@H]1C(=O)CCCC1=N2 169686643 VVCRBEHYJDMBTK-HOTGVXAUSA-N 373.499 4.882 0 1 FJAF COc1ccc(-c2ccnc3c2c(C)nn3-c2ccc(F)cc2)cc1OC 199434608 UAXQMJZKVKFZDQ-UHFFFAOYSA-N 363.392 4.552 0 1 FJAF O=C(O)c1n[nH]c2cc(Cl)c(-c3ccc(-c4ccccc4O)cc3)cc12 216021726 JSVQKFOYAFPSSM-UHFFFAOYSA-N 364.788 4.954 0 1 FJAF Fc1ccc([C@H](CC2CNC2)Oc2ccccc2OC(F)(F)F)cc1F 299839117 QDXMLWBTDCCUTJ-KRWDZBQOSA-N 373.321 4.593 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccc4ncoc34)nc3ccc(O)c1c23 586990630 ZYIDQCYMENFAMY-UHFFFAOYSA-N 364.360 4.960 0 1 FJAF CC(=O)c1ccc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2c1 587051116 OPLHNGLWTZIBCQ-UHFFFAOYSA-N 355.825 4.680 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2c(Cl)c(Br)cnc2[nH]1 587066848 IIQWFBOEQPLMNP-UHFFFAOYSA-N 372.053 4.736 0 1 FJAF Clc1cccc(-c2cc(-c3nc4ncc(Cl)c(Cl)c4[nH]3)n[nH]2)c1 587067841 AGRMTXRRDJHQJD-UHFFFAOYSA-N 364.623 4.975 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@@]1(CCOC1)C4)-c1ccccc1C2=O 587102419 QDSAEYWFTJJJBR-XMMPIXPASA-N 355.437 4.650 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCO3 587137779 KZFZXORMUCKMNX-UHFFFAOYSA-N 369.577 4.514 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(Cl)cccc1N1CCCC1)O2 587375631 NLPDYYZZJTVWCW-SFHVURJKSA-N 356.853 4.537 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccc(F)cc3)ccc1O)O2 587383796 GWBFEZZGEFLKNC-OAQYLSRUSA-N 363.388 4.795 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cncc(-c4ccc(C)cc4)c1)[C@@H](C2)C3=O 587437043 VXXYUHFHKHPRAV-WMZHIEFXSA-N 357.409 4.554 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2c(N)cccc21 587473489 WBHFIVNTESUGFS-XMMPIXPASA-N 371.436 4.816 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@H]2CCCF)N1 587717230 KTNXUWSHANGVCU-ZUCKAHLUSA-N 358.270 4.868 0 1 FJAF CC1=C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H]2C[C@@H]1C2(C)C 587818054 PDOQBNUIBQOQMQ-DCFBYQPESA-N 364.302 4.940 0 1 FJAF O=C(CCc1ccccc1)c1nc2cc(Cl)c(OC(F)(F)F)cc2[nH]1 587953230 GEEILZCBTNEYQD-UHFFFAOYSA-N 368.742 4.930 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccnc(-c3cccnc3)c2)N1 962953803 WGZSZSXQVJGAKA-VGSWGCGISA-N 354.457 4.639 0 1 FJAF COc1ccc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)cc1OC(F)F 963102075 KCBGGHDYZPUZRR-LIRRHRJNSA-N 363.379 4.546 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cc(Cl)nc(Cl)c1N 963240052 KGVZQKMGYBLDCT-BUXKBTBVSA-N 364.320 4.891 0 1 FJAF O=C(Cn1ccc2c3ccccc3nc-2c1)c1ccc(Br)cc1 1772584721 ITPKGGOPXOBPDZ-UHFFFAOYSA-N 365.230 4.787 0 1 FJAF CCn1cc(-c2ccnc(Nc3ccc(OC)cc3OC)n2)c2ccccc21 1857745375 ZVKAWQPJAJOJKX-UHFFFAOYSA-N 374.444 4.879 0 1 FJAF COc1ccc(Cl)c(-c2ccc(NC(=O)c3c(F)cccc3F)cn2)c1 1857762685 UFAXRSRSWRESFR-UHFFFAOYSA-N 374.774 4.941 0 1 FJAF CCCC[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@@H](O)CC(=O)O 2356509231 IKTPWVGSUROYSG-VNYTWHDVSA-N 356.547 4.932 0 1 FJAF CCc1ccc(O[C@]2(C)CCN(Cc3ccccc3OC(F)F)C2)cc1 61907633 ANBPQCZQJYQEFX-OAQYLSRUSA-N 361.432 4.894 0 3 FJAF CCN(C(=O)c1cc2cc3ccc(OC)cc3nc2o1)c1ccc(F)cc1 4908326 ASCSKLXTICLMFK-UHFFFAOYSA-N 364.376 4.795 0 1 FJAF Cc1ccccc1OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 13740264 LNDIIWNPPXKDSX-PXCRPINLSA-N 369.892 4.820 0 1 FJAF C=C/C=C1\C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26483941 GVMYVUUOWVTMJJ-JDMJPCEWSA-N 364.485 4.991 0 1 FJAF COc1cc(/C=C/Cc2ccc(OC)c(OCC=C(C)C)c2O)ccc1O 28712312 PYPQTJBWQSNMTK-AATRIKPKSA-N 370.445 4.716 0 1 FJAF C[C@@H](c1ccco1)N(C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 38142941 KUBMIEGUDQFALO-AWEZNQCLSA-N 373.412 4.816 0 1 FJAF C=CC(=O)Nc1ccc2nccc(Nc3cccc(Br)c3)c2c1 49111415 LOJBBIAOHTVLEF-UHFFFAOYSA-N 368.234 4.865 0 1 FJAF CCOC(=O)c1ccc(N2C(=O)c3ccccc3NC23CCCCC3)cc1 49802637 RINGAQZVPYWOLG-UHFFFAOYSA-N 364.445 4.596 0 1 FJAF Cc1cccc(/C=C2\C=C(Cc3ccc(Br)cc3)C(=O)O2)c1 103168848 XVDJHWGTPAUXGG-WOJGMQOQSA-N 355.231 4.824 0 1 FJAF O=C(O)c1csc(-n2nc(-c3ccccc3)c(F)c2-c2ccccc2)n1 103249888 KXZZSEBZBQVAID-UHFFFAOYSA-N 365.389 4.500 0 1 FJAF CCN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169310109 CAJALTAVRYNFRC-WNGCJKCESA-N 359.554 4.789 0 1 FJAF Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(CF)n1 169700081 AYUXTKUYGHDHNH-UHFFFAOYSA-N 353.372 4.562 0 1 FJAF CCOC(=O)C(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C)C[C@@H]21 223585366 JSXWUVARLKOUGN-HZPDHXFCSA-N 358.478 4.844 0 1 FJAF Cc1ccc2[nH]c(-c3c(-c4ccc(F)cc4)nc4sc(C)nn34)nc2c1 473126212 ZXNANMHDEBXWPG-UHFFFAOYSA-N 363.421 4.757 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(Br)nc2[nH]1 587061926 LOYGLKLSUZHPNC-LLVKDONJSA-N 366.646 4.904 0 1 FJAF Oc1nc2cc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3cc2[nH]1 587084080 UVMKREDESNMALO-UHFFFAOYSA-N 361.792 4.527 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4nc(O)oc4c3)nc3cccc1c23 587106951 PDJSPBOHPCXHKF-UHFFFAOYSA-N 364.360 4.960 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2c(C)c(Br)cnc2[nH]1 587156709 YCOIPGSMVKFMSA-LBPRGKRZSA-N 364.218 4.698 0 1 FJAF Ic1ccc(-c2cc3c4c(cccc4n2)CC3)s1 587213434 RUMLUPAESUFAOY-UHFFFAOYSA-N 363.223 4.667 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)cc1F)O2 587384104 AGVIXMCVLLWOCO-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(OCC(F)F)c1)CC2=O 587465748 KEHSBWSLJFFLCA-SFHVURJKSA-N 362.372 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C3CC3)nn1CCC)CC2=O 587475708 OCHOSNQSTMKCTQ-FQEVSTJZSA-N 354.450 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CS[C@H](c3cccs3)C1)CC2=O 587494411 LKNYVXAWPIVZGU-PKOBYXMFSA-N 360.500 4.988 0 1 FJAF COC(OC)c1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587507313 VUPSAGVBZNSNKU-LJQANCHMSA-N 370.420 4.702 0 1 FJAF CC(C)[C@@]1(c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600573 OLOFIAMABOEBMA-REWPJTCUSA-N 360.409 4.905 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(F)(F)F)N1 587710899 UZRPRYGEDRRACM-SDBXPKJASA-N 354.185 4.896 0 1 FJAF CCc1ccc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814293 GSXBAJQWOOAABC-HXPMCKFVSA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@H]3C=C[C@@H]2C3)N1 587820413 PFFSRPRHHRGPBB-HZKOEDQFSA-N 350.275 4.550 0 1 FJAF COc1ccccc1Cn1nc(-c2ccccc2C(F)(F)F)cc1OC 587863077 QDPILPCVMQGWRY-UHFFFAOYSA-N 362.351 4.634 0 1 FJAF CC(C)c1ccccc1OCC(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873909 PFQPTXFMCXRKGJ-UHFFFAOYSA-N 352.365 4.638 0 1 FJAF CC(C)(C)OC(=O)N1CC[C@H](c2nc(-c3ccc(F)c(F)c3)cs2)C1 587922773 UUCJRXQMHSRAJU-LBPRGKRZSA-N 366.433 4.813 0 1 FJAF CCOc1cc2ncnc(Nc3ccc(C)c(Cl)c3)c2c2c1OCCO2 653859712 XYGJPSHVCKGCKO-UHFFFAOYSA-N 371.824 4.505 0 1 FJAF Cc1ccc([C@]2(c3ccccc3Cl)NCCc3cc(C)c(F)cc32)cn1 962381471 YHXOGYJMPPEERK-JOCHJYFZSA-N 366.867 4.929 0 1 FJAF Fc1cccc(-c2nc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)co2)c1 963101836 MEBBEZCVZMKRSK-XLIONFOSSA-N 352.384 4.730 0 1 FJAF Oc1ccc2c(c1)[C@](c1ccc(F)cc1)(c1cc(Cl)cs1)NCC2 963353284 PZQWLEHMYWADRV-LJQANCHMSA-N 359.853 4.684 0 1 FJAF CC(=CCC[C@@H](C)CC(=O)O)CCC=C(C)CCCC1=CC(=O)O[C@@H]1O 2356788621 CEYSETCIQFXBGF-UTKZUKDTSA-N 364.482 4.522 0 1 FJAF CCCCc1c(-c2ccccc2OC)ncn1Cc1cccc(OC)c1 198626776 CUWQKGAANIQJDS-UHFFFAOYSA-N 350.462 4.958 0 3 FJAF Cc1ccccc1[C@@H](OC[C@H](O)CN1[C@H](C)CCC[C@H]1C)c1ccccc1 28221101 BWNMYDFFSCWUHU-RKONGDRVSA-N 367.533 4.725 0 1 FJAF CCCN(CCC)c1nc(C)nc(C(=O)c2c(C)cc(C)cc2C)c1C 28356689 NSWGIDQQKNEJRV-UHFFFAOYSA-N 353.510 4.876 0 1 FJAF CN(C)CC[C@H](NC(=O)CCc1ccccc1)c1ccc2ccccc2c1 28654039 MNXBCQXRSCUKID-QHCPKHFHSA-N 360.501 4.582 0 1 FJAF Cn1c(CN2CCC(c3cccc(C(F)(F)F)c3)CC2)nc2ccccc21 45392677 VFHXPWOCQCSEPK-UHFFFAOYSA-N 373.422 4.972 0 1 FJAF Fc1ccc(CCNc2cncc(Oc3cccc4cccnc34)n2)cc1 82068508 DVCMJTPEJHSLAC-UHFFFAOYSA-N 360.392 4.611 0 1 FJAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)o1 82165335 QNPPTQGWWFYUPG-UHFFFAOYSA-N 350.378 4.522 0 1 FJAF Cc1cccc(C(=O)Nc2cccc(Oc3ccc(C(F)(F)F)nc3)n2)c1 96175640 GKRVBHHLRAJEHQ-UHFFFAOYSA-N 373.334 4.848 0 1 FJAF CCCC(=O)N[C@H](C)C(=O)S[C@@H](C)Cc1ccc(-c2ccccc2)cc1 103190651 FTLQLFZUJQTFHE-DLBZAZTESA-N 369.530 4.849 0 1 FJAF C[C@@H](c1cc(F)c2ncccc2c1)n1cnc2ncc(-c3ccccc3)nc21 222082539 OWQQKUSKUSVYLA-AWEZNQCLSA-N 369.403 4.790 0 1 FJAF CCC(C)(C)c1ccc(-c2nc3c(OC)c(C(=O)OC)ccc3[nH]2)cc1 586880255 FBBSLZGCKDBNDI-UHFFFAOYSA-N 352.434 4.713 0 1 FJAF 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C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCCc3sccc32)N1 587856951 JUBZCZOQNZMBKW-BMLIUANNSA-N 366.299 4.764 0 1 FJAF COc1ccc(CCCc2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC 587927727 XCGCSJLBYRFKME-UHFFFAOYSA-N 364.367 4.774 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2c(F)cnc(Br)c2[nH]1 587952411 QJEAZGSNQQYQCX-SCVCMEIPSA-N 370.266 4.906 0 1 FJAF O=C(c1c[nH]c2ccccc12)[C@H](NCCc1ccccc1)c1ccccc1 1911582454 ACAMGSSSBUKFLV-HSZRJFAPSA-N 354.453 4.924 0 1 FJAF C[C@H]1CC[C@@H](C)C[C@H](C)C(=O)N(C)C=CCC(=O)O[C@@H](C(C)(C)C)C1 2356496643 MUPORQMYFNQMDE-VSZNYVQBSA-N 351.531 4.789 0 1 FJAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@@H](C)CCOC=O 2356786280 ZQMIRTGWVGONOM-WGQQHEPDSA-N 364.526 4.918 0 1 FJAF COc1ccc(-c2c[nH]c([C@@H](O)c3ccc(-c4ccccc4)cc3)n2)cc1 61896018 AYHJNXLMRUFQHS-QFIPXVFZSA-N 356.425 4.834 0 3 FJAF CCCC(=O)c1cnc2c(NCCO)cccc2c1Nc1ccccc1C 13742230 BDWDFJHVYOATDM-UHFFFAOYSA-N 363.461 4.674 0 1 FJAF CCCN1CCC(N2Cc3cc(C)ccc3O[C@@H](c3ccsc3)C2)CC1 20364068 OUPBVAMRVIGLAE-JOCHJYFZSA-N 370.562 4.867 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCCCC[C@@H]1N(C)C 28237287 CKBBSTXXVDRFDD-IRXDYDNUSA-N 357.325 4.999 0 1 FJAF Nc1nccc2scc(-c3ccc(NC(=O)NC4CCCCC4)cc3)c12 28703852 COIXHPWKDBPYBV-UHFFFAOYSA-N 366.490 5.000 0 1 FJAF O[C@]1(C(F)(F)F)c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F 64559517 ZNQUFMFGFSMGLK-GFCCVEGCSA-N 360.109 4.806 0 1 FJAF Cc1csc(-c2nc(N)c3cc(Cc4ccccc4Cl)sc3n2)n1 96908907 XIEZWLPXIACEEY-UHFFFAOYSA-N 372.906 4.950 0 1 FJAF Cc1cnc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1 113654864 CIKUORISQCEFPK-UHFFFAOYSA-N 354.457 4.710 0 1 FJAF CCCCn1c(Sc2cc(Cl)cc(Cl)c2)nc2c(N)ncnc21 299860664 GYAYKIDKTVWJLI-UHFFFAOYSA-N 368.293 4.667 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586885613 CGLURUDFEVNUIJ-QFYYESIMSA-N 352.331 4.866 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1 586898044 FWNNMXVJZLKIFT-UHFFFAOYSA-N 370.387 4.927 0 1 FJAF CCOCc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)o1 586903771 VBHYRUWQPBOFKE-UHFFFAOYSA-N 355.619 4.775 0 1 FJAF C[C@@H](c1nc2cc(F)cc(C(=O)O)c2[nH]1)c1ccccc1C(F)(F)F 587098265 POQGVDKCQZPZKK-MRVPVSSYSA-N 352.287 4.571 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc(Br)ncc2[nH]1 587109028 LCFAQWMMOUSIIY-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC[C@]1(c2nccs2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587379492 YLNZSBHPEPJBOM-PXNSSMCTSA-N 369.417 4.652 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C(F)(F)F)ccc1F)O2 587381398 ICWWQWJDZGBIPY-KRWDZBQOSA-N 353.315 4.616 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(F)cc1)(c1ccccc1F)O2 587386212 UNLAERFXRMNSHB-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1ccc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587557882 POVZWYQPDLQXSJ-DENIHFKCSA-N 364.372 4.717 0 1 FJAF CCCCCC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587657127 WADJPQFINFZEKQ-UHFFFAOYSA-N 356.372 4.562 0 1 FJAF CC[C@@]1(c2cccc(F)c2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727685 CBDSIZVHPOOLAI-VOJFVSQTSA-N 366.249 4.915 0 1 FJAF CS[C@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961326034 QOQKNEVINANGDY-DOTOQJQBSA-N 352.341 4.628 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2c(Cl)nc3sccn23)N1 962952586 VCTXYJNOGDIUTP-JEOXALJRSA-N 370.909 4.718 0 1 FJAF COc1cccc(-n2cccc2[C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963096105 COOJDIDRHPWVHA-JPYJTQIMSA-N 362.448 4.735 0 1 FJAF O=C(Nc1cccnc1)c1ccccc1OCc1cccc(Cl)c1F 1857574730 QUPPTAYDAYKQPD-UHFFFAOYSA-N 356.784 4.705 0 1 FJAF COc1ccc([C@@](C)(O)c2nc(-c3ccc(F)cc3)nc3ccccc23)cc1 1911571398 NNVHAWNEUDKGIX-HSZRJFAPSA-N 374.415 4.700 0 1 FJAF O=C(C=CC=CCCCCCCc1ccc2c(c1)OCO2)N1CCCC1 2356528776 HQVOLKBRDWRKFF-UHFFFAOYSA-N 355.478 4.643 0 1 FJAF O=C(CCCCCCCCCCc1ccccc1)[C@H]1C(=O)[C@@H](O)CC=C1O 2356613523 OTCZFMJSCRSWHW-FCHUYYIVSA-N 372.505 4.701 0 1 FJAF COc1c(C)cc([C@@H](O)c2nc(-c3cccc4ccccc34)c[nH]2)cc1C 61928205 DRTVMUROLRTCDU-OAQYLSRUSA-N 358.441 4.937 0 3 FJAF c1ccc(CNc2nc(N3CCOc4ccccc43)nc3ccsc23)cc1 139594107 QSRRMANMGVFOQF-UHFFFAOYSA-N 374.469 4.834 0 3 FJAF COc1ccccc1-c1noc2nc(Oc3c(F)cccc3F)ccc12 205223380 BUMSDQJBIMNTGF-UHFFFAOYSA-N 354.312 4.969 0 3 FJAF Cc1ccc(C(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1 8607990 PYAZNZHKVGEPOC-UHFFFAOYSA-N 374.465 4.989 0 1 FJAF Cc1ccccc1/C(=C/CCN1CCC[C@@H](C(=O)O)C1)c1sccc1C 13827930 BJVXASIIIRQZEF-QOYJSAPCSA-N 369.530 4.983 0 1 FJAF CC/N=c1\nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)s1 27739993 BOSGIICAQJLQDZ-KNTRCKAVSA-N 350.274 4.828 0 1 FJAF CCc1noc(CC)c1CCCCCCOc1c(OC)cccc1OC 27850363 NBABQMHICVSGHZ-UHFFFAOYSA-N 361.482 4.999 0 1 FJAF C[C@H]1c2cc(Cl)ccc2OC[C@@H](C)N1C(=O)c1ccc(Cl)cc1 73139935 JNYTYLPKKZORKE-NEPJUHHUSA-N 350.245 4.978 0 1 FJAF COC(=O)CC[C@]12[C@H]3CCC[C@]34CC[C@@H]3C[C@@]1(C)CC[C@H]1[C@@H](C)CN([C@@H]34)[C@H]12 238768407 SBZSORFWYJGMHS-ARZKZZAASA-N 371.565 4.645 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(C)c(Cl)cc2[nH]1 586916069 JNPUMAATPJOHDS-JLTOFOAXSA-N 354.837 4.741 0 1 FJAF Clc1ccnc2[nH]c(COc3ccccc3C3SCCS3)nc12 587042690 VZPNPBTVCCIUQW-UHFFFAOYSA-N 363.895 4.669 0 1 FJAF O=C(c1ccccc1)c1ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2c1 587071768 NAENFWUWIFJSFH-UHFFFAOYSA-N 374.827 4.873 0 1 FJAF 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C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)cc2)N1 587693386 DOXUWVGLIHVKDR-FVMDXXJSSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc(F)cc(F)c2)N1 587733023 PNUMFMPUTJNMEL-HUTHGQBESA-N 370.212 4.664 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C)C2 587824813 YVVRQDTUQCUWAC-KQHSUYLTSA-N 374.297 4.867 0 1 FJAF COc1cc2c(cc1OC)[C@](C)([C@@]13C[C@@H]4C[C@H]1C[C@@H](C4)C3)N(C)[C@H](C)C2 962565746 INPGWVVWFYDRLJ-VOLGQTBASA-N 355.522 4.622 0 1 FJAF CCCCCC[C@@]1(c2ncco2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962633179 JZQTYLCVEDUSBL-AOMKIAJQSA-N 372.509 4.782 0 1 FJAF COc1ccc2c(c1)CC[C@@]1(CCCCN1C[C@H](C)c1ccccc1)C2=O 1772572119 MLKPPNBOPFCBLM-UUOWRZLLSA-N 363.501 4.853 0 1 FJAF COc1ccccc1-n1cc(-c2ccccc2Sc2ccc(N)cc2)nn1 1857578476 QJXONXQQQZMWLO-UHFFFAOYSA-N 374.469 4.676 0 1 FJAF COc1cc([C@@H]2C3=C(O)CCCC3=NC3=C2C(=O)CCC3)c(Cl)cc1O 795948 BWALTPHWMHRBKD-GOSISDBHSA-N 373.836 4.596 0 1 FJAF CCOc1ccc(CNC(=O)c2cc3cc4ccc(C)cc4nc3o2)cc1 4907160 AXTOUISYPVEICY-UHFFFAOYSA-N 360.413 4.618 0 1 FJAF CC(C)=CCC/C(C)=C/CC[C@@H](CC(=O)c1cc(O)ccc1O)C(=O)O 15251941 PNXHXPQJFNVWQM-AHQMPEJBSA-N 360.450 4.844 0 1 FJAF COc1cc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@H]2C)ccc1O 35458905 YPQNDHHCUQGPFN-YVACJMOASA-N 358.434 4.503 0 1 FJAF O=C(OCCN1CCCCC1)N1c2ccccc2Sc2ccccc21 40934871 VXBXQJYNDYKUKJ-UHFFFAOYSA-N 354.475 4.912 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccccc3F)s2)cc(OC)c1OC 40956255 OYUOVAPIOCRNSD-UHFFFAOYSA-N 372.417 4.811 0 1 FJAF CC(C)(C)Cc1nc2cc(S(=O)(=O)C(C)(C)C)ccc2n1CC1CC1 72111270 VZYMPHDRTDMUCF-UHFFFAOYSA-N 362.539 4.607 0 1 FJAF COc1ccccc1/C=C/c1nc2ccccc2c(=O)n1Cc1ccccc1 72134943 LFPSKKPZSSYCOR-FOCLMDBBSA-N 368.436 4.624 0 1 FJAF CCCCCNC(=O)[C@@H](Nc1nc(-c2ccccc2)cs1)[C@@H](C)CC 82195229 MSAPEYZVBZBCAI-YJBOKZPZSA-N 359.539 4.943 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151851 HVRWHBXGKRCKSP-IRXDYDNUSA-N 356.491 4.517 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccccc1)c1ccsc1)C2 101151855 HVRWHBXGKRCKSP-DZFIZOCASA-N 356.491 4.517 0 1 FJAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(Cl)cc2)n(CC(F)(F)F)n1 299828524 RLVXYFXRWPRDDM-JOYOIKCWSA-N 372.778 4.866 0 1 FJAF Clc1cccnc1-c1nc(-c2nc3cnc4ccccc4c3[nH]2)cs1 587018135 WRYZKSVLDZLIPE-UHFFFAOYSA-N 363.833 4.950 0 1 FJAF COc1cc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc2cn1 587022576 ZVPIPOFBLGKZHL-UHFFFAOYSA-N 368.487 4.691 0 1 FJAF Clc1ccc(CC2(c3nc4cncc(Br)c4[nH]3)CC2)cc1 587074125 SUUBBTNETBDFEV-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF CCOc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587413930 UGCVJAURCUAFDS-NRFANRHFSA-N 363.413 4.942 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4c(F)cccc4F)o1)[C@@H](C2)C3=O 587422438 DQCYBMPYXGFSMC-LAJNKCICSA-N 368.335 4.722 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4F)o1)[C@@H](C2)C3=O 587426458 NZIZBBWTNFODDD-QKKBWIMNSA-N 350.345 4.583 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCc4ccc(C(C)(C)C)cc41)[C@@H](C2)C3=O 587447164 MLFCVGSKQVGTHB-CYFREDJKSA-N 362.469 4.972 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(c1ccc(OC(C)=O)cc1)CC2=O 587477707 IIPPNHRWBZLPGG-QFIPXVFZSA-N 368.429 4.541 0 1 FJAF Cc1cccc(-n2cc([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587516874 FURUDNVYAMOGOA-DEOSSOPVSA-N 372.468 4.940 0 1 FJAF CCN(CC)C(=O)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587625781 NDXSUBIDLSICLY-UHFFFAOYSA-N 366.305 4.996 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccccc2Cl)N1 587697323 OODJXMXCPKNDTG-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3[nH]2)N1 587802869 OAPHITBVABAFHD-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCC[C@H]2C2CC2)N1 587824399 VVOHCLLMAHTTFY-VZSAFFHGSA-N 352.291 4.918 0 1 FJAF COc1ccc(/C=C\Cc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c1 587931185 ZLPYNLCPJJKLOO-ARJAWSKDSA-N 364.779 4.768 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(NC(=O)CC)cc1 963235389 WCUQBLIQRWHHLJ-GAJHUEQPSA-N 350.506 4.955 0 1 FJAF COc1cccc([C@@H]2Oc3ccc(F)cc3[C@@H]2c2ccc3c(c2)OCO3)c1 1857635410 ODFZNJGNLMOTLY-VXKWHMMOSA-N 364.372 4.829 0 1 FJAF CCCCC[C@@H]1C=C[C@H](CCCCC[C@@H](C(=O)O)[C@@H](O)CCCO)CC1 2356349543 HLBPUFFLXMVORW-MHTWAQMVSA-N 368.558 4.934 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2OC 2356478526 HSNPSWRYBNJNOF-XBZUYWNMSA-N 362.510 4.670 0 1 FJAF C[C@@H]1CC[C@]2(C)C(OC(=O)CC(=O)O)=CCC[C@@H]2[C@]1(C)CCc1ccoc1 2356598433 PPQVAHQHYRDJTI-VIDZHXABSA-N 374.477 4.967 0 1 FJAF CCOc1ccc(-c2c[nH]cc2-c2cc(OC)c(OC)c(OC)c2)cc1 2382229545 UUROJGKTUGJMQH-UHFFFAOYSA-N 353.418 4.773 0 1 FJAF COc1ccc(NC(=O)N(CCC(C)C)[C@H](C)c2ccccn2)c(OC)c1 37868801 GCEOXMRDLSVMCS-MRXNPFEDSA-N 371.481 4.740 0 3 FJAF C[C@@H]1[C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 7997686 GPLGAQQQNWMVMM-GZYAVHOCSA-N 356.598 4.810 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1C(C)(C)C[C@@H](OC(=O)CC(=O)O)C[C@@]21C 13302869 GGTKOGAGTWFKDW-BOCKYXSRSA-N 372.505 4.837 0 1 FJAF biogenic CO[C@@H]1OC[C@@H]2CCC([C@@]3(C)CCCC(C)(C)C3)=C([C@@H](C)C(=O)O)[C@@H]21 14677485 ZACQAWRFBSMZEU-WLAJYOQSSA-N 350.499 4.639 0 1 FJAF CCC[C@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18211057 SKFLRFBMDZILLG-TZIWHRDSSA-N 354.471 4.500 0 1 FJAF O=C(O)c1c(O)nnc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 29206580 XRLYVJXVEQCBEN-UHFFFAOYSA-N 361.184 4.521 0 1 FJAF COc1ccc2nnc3c(C)nc(-c4cc(Cl)ccc4Cl)n3c2c1 95579068 VSPLHWROJCSRNJ-UHFFFAOYSA-N 359.216 4.568 0 1 FJAF COc1ccccc1N1C(=O)c2ccccc2N(C)[C@@H]1c1ccc(C)s1 95581395 TXYQJLVFBKESFB-FQEVSTJZSA-N 364.470 4.861 0 1 FJAF CN(C)c1ccc(-c2ccc3ncnc(Nc4cccc(O)c4)c3c2)cc1 143173948 QTSVTHYYVYDIKZ-UHFFFAOYSA-N 356.429 4.812 0 1 FJAF CCOc1cccc(CN2C(=O)[C@@H](C)C[C@H]2c2c(F)cccc2OCC)c1 167581945 LWBJANYLUOJSLI-KXBFYZLASA-N 371.452 4.733 0 1 FJAF OC[C@@H]1[C@@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 195387916 HMYQAZJCQGMLQI-GRQVBSOOSA-N 359.513 4.850 0 1 FJAF COc1cc(/C=C/c2nc3cc(F)cc(F)c3[nH]2)ccc1Br 586977922 VQQGXKDHQGMIQL-HWKANZROSA-N 365.177 4.783 0 1 FJAF O=C(c1ccc(F)cc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987169 AVRSQGJQYJDDJR-UHFFFAOYSA-N 369.351 4.522 0 1 FJAF COC(=O)c1cc2nc(C(C)(C)Cl)[nH]c2c(F)c1Nc1ccccc1 587008912 RMQXNZHSBQFAAQ-UHFFFAOYSA-N 361.804 4.706 0 1 FJAF Clc1cc(Br)c2[nH]c(-c3csc4c3CCOC4)nc2c1 587031550 IRRWZLCTJPSBIZ-UHFFFAOYSA-N 369.671 4.780 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc4ccc(O)cc34)nc2c1 587032384 IZNDPGRBCDLCOB-UHFFFAOYSA-N 358.806 4.590 0 1 FJAF Fc1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2c(F)c1F 587232009 KUIPGAJMHJAEHB-UHFFFAOYSA-N 357.335 4.530 0 1 FJAF Nc1ccc(C(=O)CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587252016 ULPHHJNMBQVIDR-UHFFFAOYSA-N 371.440 4.540 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1ccc(C)cc1)(c1ccccc1)[C@@H](C2)C3=O 587446021 ROLMQSJUZLMJFI-OFVILXPXSA-N 370.448 4.889 0 1 FJAF CC[C@@]1(C23CC4CC(CC(C4)C2)C3)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587446530 YQBKQNBUBOABBN-BMKYIMTASA-N 352.474 4.808 0 1 FJAF O=C1C[C@@]2(CCOc3cc(O)c(Cl)cc32)Oc2c1ccc1c2CCCC1 587503380 UGXXHNIBBAEAAD-OAQYLSRUSA-N 370.832 4.568 0 1 FJAF CC1(C)[C@H]2CC[C@]3(Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[C@@H]1C2 587604248 RROAJGKSXODTCD-WBRFWCBQSA-N 350.414 4.549 0 1 FJAF CC(C)[C@H]1C[C@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587832249 JDRMUQFAMGGLSK-GQMGFTQMSA-N 370.306 4.615 0 1 FJAF CCCc1csc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587851216 HQGOMEHSIARVSY-PSLIRLAXSA-N 369.303 4.621 0 1 FJAF CCCN=c1nc2[nH]c3c(c(-c4ccc(OC)cc4)c-2s1)CCCCC3 1857563766 MTRZYKZOEWJZPA-UHFFFAOYSA-N 367.518 4.831 0 1 FJAF COc1cccc(NC(=O)Nc2nc(-c3ccccc3)nc3ccccc23)c1 13672238 QVRQMHVLQBELCG-UHFFFAOYSA-N 370.412 4.949 0 1 FJAF COC(=O)CCCC[C@H](O)/C=C/C=C/CCCCCCCCCC(=O)O 26578231 QAHOUNOSDXSFRI-GNZHQRDRSA-N 368.514 4.789 0 1 FJAF O=C1N/C(=N\c2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1 38495190 FITCFFSJDIRDTL-BOPFTXTBSA-N 365.845 4.780 0 1 FJAF Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4c(C)noc4C)ccc23)cc1 84635482 OISNLTWKOFGLOU-UHFFFAOYSA-N 372.428 4.658 0 1 FJAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(OCCN2CCCCC2)cc1 96922430 VIBOBKJGYXIEJQ-UHFFFAOYSA-N 373.884 4.849 0 1 FJAF CCc1ncc(Cc2cnc3ccc(N)cc3c2)c2cc(OC)c(OC)cc12 145108607 ZWSSLGOTMCGROU-UHFFFAOYSA-N 373.456 4.536 0 1 FJAF Cc1cc(/C=C/C(=O)NCCc2c(C)[nH]c3ccccc23)cc(C)c1F 169347564 GMXRAXYWXGWMIO-CMDGGOBGSA-N 350.437 4.604 0 1 FJAF Brc1ccc(NCCc2nc3ccc4c(c3[nH]2)CCCC4)cc1 586995254 IDGGUQHIYMYTHN-UHFFFAOYSA-N 370.294 4.859 0 1 FJAF Cc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1C 587076924 PEZXFDXBFUIPDU-UHFFFAOYSA-N 352.825 4.668 0 1 FJAF CC(C)[C@H](c1nc2cc(C(F)(F)F)ncc2[nH]1)N(C)C(=O)OC(C)(C)C 587198000 QYUMGCJSISOCHZ-CYBMUJFWSA-N 372.391 4.541 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)c(C=O)cc3ccccc13)O2 587375967 BEHMICKHPVLAGP-GOSISDBHSA-N 365.816 4.903 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)s1)(C1CCC1)[C@@H](C2)C3=O 587450229 ICLLBFPICFNDCR-DJJJIMSYSA-N 360.862 4.853 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C3CCCC3)nc1C)CC2=O 587477940 WNQWFEWMYJPQCG-FQEVSTJZSA-N 354.450 4.671 0 1 FJAF CCOC(=O)[C@@H](CC)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521449 CWTVEJYAYVZNFA-XMSQKQJNSA-N 358.478 4.515 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@@H]2CCCF)N1 587722487 ZBRHQDSLNNSHNO-CJBNDPTMSA-N 358.270 4.868 0 1 FJAF CC1(C)CCC(Cc2nc3cccc(I)c3[nH]2)CC1 587963924 WCKZAOQDCNWITO-UHFFFAOYSA-N 368.262 4.926 0 1 FJAF c1cncc(-c2ccc([C@H]3c4ccsc4CCN3Cc3ccco3)cn2)c1 962717652 VDYJFQIMWZVKMR-QFIPXVFZSA-N 373.481 4.946 0 1 FJAF O=C1Nc2ccccc2C1=C(c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 1857626277 YXDYQWFVCCYQIM-UHFFFAOYSA-N 373.362 4.752 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@H]12 2356549868 KTQALDLKCGBREQ-QGAVKGNSSA-N 374.521 4.836 0 1 FJAF CCCC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610519 ZVLQWISKMJQTAN-GPLANBPFSA-N 370.533 4.985 0 1 FJAF COc1cccc(CNC(=O)[C@H]2CC=C(c3c[nH]c4ccccc34)CC2)c1 20863750 MEGUKSCSIBLBRQ-SFHVURJKSA-N 360.457 4.676 0 1 FJAF O=C(CN1CCCCC1)Nc1ccc(Sc2ccc(Cl)cc2)cc1 27990225 QPYIWSLZJDGMSH-UHFFFAOYSA-N 360.910 4.916 0 1 FJAF COc1cc2c(cc1OC)-c1n[nH]c(-c3ccc(-c4ccc[nH]4)cc3)c1C2 28954377 RJYUPWMXOPTILG-UHFFFAOYSA-N 357.413 4.660 0 1 FJAF CC(C)CN(C)C(=O)c1ccc2cc(-c3cc(-c4ccccc4)[nH]n3)[nH]c2c1 49807922 PDTPLEGBMNANHU-UHFFFAOYSA-N 372.472 4.953 0 1 FJAF C[S@@](=O)c1ccc2[nH]c(-c3ccc(-c4ccccc4F)cc3)nc2c1 64513990 OGJNEVVUAVJJLL-VWLOTQADSA-N 350.418 4.773 0 1 FJAF CC1(C)Oc2cc3oc(=O)ccc3cc2C[C@@H]1OC/C=C/c1ccccc1 66251320 KTTIANPTCWGYCN-JLXBBBJOSA-N 362.425 4.605 0 1 FJAF CNc1nc2cnc(Nc3cccc(C(C)C)c3)cc2n1Cc1ccco1 74388376 OGBDJWYDBFPWKH-UHFFFAOYSA-N 361.449 4.981 0 1 FJAF COc1ccc(NC(=O)NCc2cccc(-c3ccccc3)c2)cc1OC 95560657 UTEBXRKZZWTXFS-UHFFFAOYSA-N 362.429 4.693 0 1 FJAF Cc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@@H]2c2ccccc2O3)cc1 102737177 WECSMEKBFPEVLX-MZSWTVCRSA-N 361.441 4.575 0 1 FJAF Nc1ncncc1-c1ccnc2c(-c3ccc(F)cc3Cl)csc12 205214059 OTRGLWNADYYYAR-UHFFFAOYSA-N 356.813 4.795 0 1 FJAF Cc1cc2c(OCc3cc(-c4ccc(Cl)cc4)no3)ncnc2s1 205759540 WUKNDFJKVRCILP-UHFFFAOYSA-N 357.822 4.887 0 1 FJAF CCOc1ccc(OCc2ccc(C(=O)N3CCCC[C@H]3C)cc2)cc1 473152861 WFKGHKZAZLVEEE-QGZVFWFLSA-N 353.462 4.679 0 1 FJAF Cc1cc(Cc2nc3c(F)c(F)c(F)c(F)c3[nH]2)ccc1Br 586978230 ZMVFQZPLRWZIEK-UHFFFAOYSA-N 373.147 4.781 0 1 FJAF CCCn1ncc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1C 586987826 SAEZVRHPEJJLPX-UHFFFAOYSA-N 369.424 4.734 0 1 FJAF Clc1ccc(C2=C[C@@H](c3nc4c(Cl)cnc(Cl)c4[nH]3)ON2)cc1 587077520 VQSJPKZNIZCKOM-NSHDSACASA-N 367.623 4.535 0 1 FJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587196302 SGOUBWIFQWRVKT-SNVBAGLBSA-N 362.246 4.682 0 1 FJAF O=C(O)c1ccc2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587206429 KWCLXSUHWMKRJP-UHFFFAOYSA-N 363.372 4.716 0 1 FJAF O=C(O)Cc1c(-c2ccccc2)nc2cccc3c2c1-c1ccccc1C3=O 587207576 SEKFQFMDFDFLJT-UHFFFAOYSA-N 365.388 4.740 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCc3ccc(Br)cc31)O2 587372652 QKCLPEZBJWRCQT-LJQANCHMSA-N 372.262 4.537 0 1 FJAF CCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587522307 HAZUEQBXMFABSI-HXUWFJFHSA-N 352.430 4.679 0 1 FJAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(Cl)cc1 587624568 OYBXXDNJIYQAOU-UHFFFAOYSA-N 362.212 4.801 0 1 FJAF Cc1c(-c2ccc(Cl)c(Cl)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649228 MPMCRQSZILXJFH-UHFFFAOYSA-N 354.258 4.854 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccc(F)cc2F)N1 587726378 WZMRRHXFTHISAV-XLFHBGCDSA-N 370.212 4.684 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccn3c2)N1 587773672 REDPSIZGVQMWMA-BUXKBTBVSA-N 373.269 4.639 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3ccccc3n2)N1 587779148 QKDPXFJUVRJLGT-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCOc1ccccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587803536 WZKRHAMTVVMDGS-BBATYDOGSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C2CC2)N1 587815375 LXZLEOCHVAEHQV-ZUOKHONESA-N 374.297 4.970 0 1 FJAF CCOC(=O)C[C@]1(c2ccccc2)NCCc2cccc(-c3ccccc3)c21 962668662 OOUCCEIEFNBEBI-RUZDIDTESA-N 371.480 4.696 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2C12C=CN(C(=O)OC(C)(C)C)C=C2 963231942 BROFTQDFRMGFSC-KRWDZBQOSA-N 354.494 4.817 0 1 FJAF COc1cccc([C@H]2Oc3ccc(F)cc3[C@H]2c2ccc3c(c2)OCO3)c1 1857635409 ODFZNJGNLMOTLY-FGZHOGPDSA-N 364.372 4.829 0 1 FJAF CC1=C[C@H](CNC2CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356657490 IMJHNKFEPDPMLF-QKNQBKEWSA-N 365.521 4.886 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc([C@H](C)COC(C)=O)cc3CC[C@@H]21 2356679778 GUJPRRSUOUAPAB-OYGALRCHSA-N 372.505 4.537 0 1 FJAF C[C@]1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCN1C(=O)CC1CCCC1 61895932 YMWIABFHDWHQJP-GOSISDBHSA-N 369.292 4.503 0 3 FJAF CCC(=O)N(c1cc(Cl)c(Cl)c(Cl)c1)[C@@H]1CCC[C@@H]1N(C)C 28238641 NPZHJKWPFOHQLU-UONOGXRCSA-N 363.716 4.873 0 1 FJAF c1ccc(Nc2n[n+](-c3ccccc3)c(-c3ccc4c(c3)OCO4)s2)cc1 29063200 KMYCIGLMRBCSOJ-UHFFFAOYSA-N 374.445 4.559 0 1 FJAF CC12C[C@](C)(C(=O)Nc3nccs3)C(c3ccccc31)c1ccccc12 40914505 RKZJWUOBFCJJTR-UDJZJCJKSA-N 360.482 4.943 0 1 FJAF Nc1nc(N)c2c(Cl)c(Sc3ccc4ccccc4c3)ccc2n1 59719257 MJNPHDCGOONPPH-UHFFFAOYSA-N 352.850 4.752 0 1 FJAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2cccc(C)c2)s1 82173086 TZWMUQZVYRXRII-UHFFFAOYSA-N 350.491 4.960 0 1 FJAF O=C(c1nc(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1)N1CCCC1 84687927 CCHKZGVMUDMPLW-UHFFFAOYSA-N 372.255 4.840 0 1 FJAF COc1cc(/C=C/C(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc(Cl)c1O 101505807 ARPHTRQCUAXYGU-PQOHOTMKSA-N 364.869 4.825 0 1 FJAF CCCCCCc1ccc(CNC(=O)c2c(Cl)c(CC)nn2C)cc1 103189227 VEDAMWRILVNILN-UHFFFAOYSA-N 361.917 4.689 0 1 FJAF CC(=O)O[C@H](C[C@]1(C)[C@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 105495168 DZAYTXGDCMMRGZ-SPJAQXOISA-N 372.461 4.590 0 1 FJAF endogenous,in-man COc1cccc([C@H](C)Nc2cc(-c3ccc(C)c(OC)c3)nc(C)n2)c1 141890208 CHFTZGTWFYYLGM-HNNXBMFYSA-N 363.461 4.951 0 1 FJAF OCc1ccc(-c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)cc1 144743014 XQLNLYFEXYTLPX-HXUWFJFHSA-N 356.343 4.625 0 1 FJAF CCOc1ccc(NCc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)cc1 473152719 VSMPUBDIKSIYMG-KRWDZBQOSA-N 352.478 4.570 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1 586887751 IZTKHEBBLLHYIS-OPAMFIHVSA-N 370.452 4.939 0 1 FJAF Clc1ccc(C2(c3nc4cncc(Br)c4[nH]3)CCC2)cc1 587075301 HJXYQDIVQSKXHQ-UHFFFAOYSA-N 362.658 4.844 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587113890 OJYZBVRDENZUMI-MRVPVSSYSA-N 374.288 4.688 0 1 FJAF FC(F)(F)Oc1ccc2c(-c3nc4c(ccc5ncccc54)[nH]3)n[nH]c2c1 587126751 GFBWVWPEFWZOLR-UHFFFAOYSA-N 369.306 4.553 0 1 FJAF Fc1c(F)c(F)c(/C=C/c2nc3cnc4ccccc4c3[nH]2)c(F)c1F 587135391 YYGXJSDJASLQTD-AATRIKPKSA-N 361.273 4.977 0 1 FJAF Cc1ccc2c(ccc3nc(-c4c(F)c(F)c(S)c(F)c4F)[nH]c32)n1 587135400 ZCXRJWHISRWKCL-UHFFFAOYSA-N 363.339 4.932 0 1 FJAF COc1cncc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c12 587240432 DSQYKSSLGHQUNO-UHFFFAOYSA-N 359.433 4.576 0 1 FJAF O=C1C[C@H](c2cccn2-c2nccs2)Oc2c1ccc1c2CCCC1 587536603 XJXQBKWENHLYKD-GOSISDBHSA-N 350.443 4.519 0 1 FJAF Cc1cc(Cl)cc2c(CCCO)c([C@H](C)NC(=O)OC(C)(C)C)[nH]c12 587626925 KKCJDWSFFFEPLQ-LBPRGKRZSA-N 366.889 4.640 0 1 FJAF CSc1ccccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587847639 UZEFOKCUIQLUTD-BMLIUANNSA-N 366.299 4.934 0 1 FJAF O=C(O)c1cccc2c1CCN[C@H]2c1ccc(F)c(Oc2ccccc2)c1 963121762 LIZMIEWNMBXXCJ-NRFANRHFSA-N 363.388 4.551 0 1 FJAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2C3=CC(=O)N(CCO)C3=CC[C@]12C 2356322826 BSTAVZCXPLMHKH-ZTNCBQQFSA-N 357.538 4.552 0 1 FJAF CCCCCCN1C(=O)NC(c2ccc(C)cc2)(c2ccc(C)cc2)C1=O 13473142 YLTLRDJKZPGADA-UHFFFAOYSA-N 364.489 4.679 0 1 FJAF CCCc1cc(=O)oc2c([C@@H](O)CC)c(OCC)c3c(c12)OC(C)(C)C=C3 25973821 AXGJKBJCZOQDTI-HNNXBMFYSA-N 372.461 4.772 0 1 FJAF C[C@@H](c1ccccc1)n1cccc1C(=O)NCc1c(F)cccc1Cl 29048217 YHGXVFKHWXRDGR-AWEZNQCLSA-N 356.828 4.820 0 1 FJAF COc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)c1 45393024 CCCPDKSLSUVEBG-UHFFFAOYSA-N 356.809 4.589 0 1 FJAF CCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1 73222387 LVYVZXUCWPOALM-GOSISDBHSA-N 371.546 4.564 0 1 FJAF CC(=O)Nc1cccc(Oc2cncc(N[C@H]3C[C@H](C)CC(C)(C)C3)n2)c1 82068841 DOMDJPXLJKOZMI-YOEHRIQHSA-N 368.481 4.854 0 1 FJAF CCCOc1ccc(-c2nc(OCCCOC)c3ccccc3n2)cc1 95771630 OSBKSUUYWBOMBR-UHFFFAOYSA-N 352.434 4.501 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101151802 KQJQPAOCEGFVNJ-ROUUACIJSA-N 356.491 4.517 0 1 FJAF CC(C)(C)C(=O)CC1=Nc2ccccc2S[C@@]1(O)CC(=O)C(C)(C)C 102961010 DPOBZBFEZWWIMT-FQEVSTJZSA-N 361.507 4.564 0 1 FJAF C[C@H]1CCC[C@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218973609 FPSDTUMOZJNGET-JPUQQOQSSA-N 355.522 4.659 0 1 FJAF COc1ccc(/C=C/C(=O)O)cc1C/C=C(\C)[C@@H](CC=C(C)C)OC(C)=O 238734992 BNKBJTGWXDOAKC-AHMSVKGFSA-N 372.461 4.570 0 1 FJAF Cc1ccc2nc(-c3ccc4ccccc4c3)nc(NCCN(C)C)c2c1 299863808 LOFWAIVKFXIKBN-UHFFFAOYSA-N 356.473 4.732 0 1 FJAF COc1ccc(O)c2c1C(=O)[C@H](c1ccccc1OCc1ccccc1)CC2 299869725 VHCBXBGIKAZSSG-SFHVURJKSA-N 374.436 4.893 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(F)c(Br)c3[nH]2)cc1 586884759 AOLPODLQFCSWMM-QLJPJBMISA-N 363.230 4.610 0 1 FJAF O=C1c2ccoc2CC[C@H]1Cc1nc2ccc(SC(F)(F)F)cc2[nH]1 586906952 HWULILBMHMAGFW-VIFPVBQESA-N 366.364 4.756 0 1 FJAF CC(C)S(=O)(=O)Nc1ccc(-c2nc3cc4ccccc4cc3[nH]2)cc1 586950789 MGRZITZPKCPXBI-UHFFFAOYSA-N 365.458 4.533 0 1 FJAF Cc1cc(Cc2nc3cc(Cl)nc(Cl)c3[nH]2)ccc1Br 586977447 OWNTZGXEDZCMRZ-UHFFFAOYSA-N 371.065 4.926 0 1 FJAF Cc1cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2cc1Cl 587007845 SZNPQXKIAPRXNQ-UHFFFAOYSA-N 361.630 4.831 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)s1 587013648 AJINZKXRMDZTAT-SSDOTTSWSA-N 357.266 4.794 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc4nc(C)ccc4c3[nH]2)s1 587015123 XTKRFKZGSGAZKN-GFCCVEGCSA-N 352.463 4.949 0 1 FJAF C[C@H](O)c1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)s1 587021937 MJGBHNWWUCKMRJ-NSHDSACASA-N 353.472 4.891 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc3[nH]c(O)nc3cc2[nH]1 587066137 JSRNJKQKXZUWCO-UHFFFAOYSA-N 363.808 4.564 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587084038 SLBJTODHWQRTAX-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF FC(F)(F)CCc1ocnc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587092157 NAIGMDCILTWCTK-UHFFFAOYSA-N 365.233 4.611 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1SCCS[C@H]1C3 587207126 BWFKYNKKEONQJG-HRAATJIYSA-N 361.491 4.892 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(Br)sc1C)O2 587408468 BWPAXQQZSGGJOL-MRXNPFEDSA-N 366.280 4.590 0 1 FJAF CCc1ccc(-c2nc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587414711 VCCLUXTUMIILER-LJQANCHMSA-N 364.470 4.970 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1CN1CCCC1)CC2=O 587474344 GWIANHKAFXREEK-QFIPXVFZSA-N 365.473 4.647 0 1 FJAF COc1c(-c2ccnn2C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628576 VMYLRCKOQSNFPT-UHFFFAOYSA-N 363.261 4.615 0 1 FJAF Fc1ccc([C@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653886931 MTVDATKRZLRSII-OAQYLSRUSA-N 374.415 4.953 0 1 FJAF CC[C@@]1(c2ccccc2OC)NC2(CC2)Cc2ccc(Br)cc21 961747737 HQXZSVURSMMKGP-FQEVSTJZSA-N 372.306 4.790 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1 962953954 WZHHLXGLKYPSSA-HLFMIMNKSA-N 371.525 4.611 0 1 FJAF O=C(NCc1ccncc1)c1ccc(-c2ccc(F)c(F)c2)c2ccoc12 61927350 OMJITYJEKIYXBE-UHFFFAOYSA-N 364.351 4.703 0 3 FJAF Oc1c(Br)cc(CCc2ccccc2)cc1Br 40949427 QPARYSTZAFBJRX-UHFFFAOYSA-N 356.057 4.702 0 1 FJAF O=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)cc1 49036139 NFZVIQPFHKWWOS-UHFFFAOYSA-N 358.409 4.583 0 1 FJAF N[C@@H]1CCc2cccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)c2C1 53298299 CAZPUPYLGDBILQ-OAHLLOKOSA-N 373.378 4.920 0 1 FJAF CC(C)(C)c1ccc(CN2C(=O)S/C(=C\c3ccc(N)cc3)C2=O)cc1 96905863 CZPZFUYIRRMNIU-PDGQHHTCSA-N 366.486 4.803 0 1 FJAF O=c1sc2c(Cl)nc(-c3ccc(Cl)cc3)nc2n1-c1ccccc1 98082028 LLQZEQYBGBMNJS-UHFFFAOYSA-N 374.252 4.816 0 1 FJAF c1ccc2nc(COc3ccc4ncn(-c5ccncc5)c4c3)ccc2c1 103245993 ZNDBGOQQHAKYTD-UHFFFAOYSA-N 352.397 4.548 0 1 FJAF Cc1c[nH]c2ncc(-c3cc([C@@H]4CCOC4)n([C@@H]4CCC(F)(F)C4)n3)cc12 146407255 CWXBQQXGEWNTLL-UKRRQHHQSA-N 372.419 4.599 0 1 FJAF Cc1ccc2nc(CCn3ncc4cc(Br)ccc43)[nH]c2c1C 587003999 ZFFDNKUPQCSYDH-UHFFFAOYSA-N 369.266 4.535 0 1 FJAF Cc1c(Br)ccc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016023 DYGSIZUEEOMMEN-LBPRGKRZSA-N 364.268 4.609 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(OC(F)(F)F)cccc3[nH]2)n1 587080175 NIORKOYNRLZWND-MRVPVSSYSA-N 358.751 4.949 0 1 FJAF Fc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2c(F)c1F 587085366 PWVJJUCXAQGLHS-UHFFFAOYSA-N 360.726 4.758 0 1 FJAF FC(F)(F)c1ccc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2c1 587117682 IDVGCPBVMSOYTI-UHFFFAOYSA-N 374.288 4.723 0 1 FJAF CO[C@@H](c1ccccc1)[C@@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587400160 LEILZVZIXHSJPD-ZEQRLZLVSA-N 373.452 4.826 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3nc(Cl)ccc31)CC2=O 587463725 ZXYWFGUXJGGIJF-FQEVSTJZSA-N 357.837 4.590 0 1 FJAF C[C@@]1(C(F)(F)[C@H](F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499725 MKSFHMIDADAGCL-GJZGRUSLSA-N 366.301 4.825 0 1 FJAF C[C@]1(c2cccc3c2OC(F)(F)O3)CC(=O)c2ccc3c(c2O1)CCCC3 587503693 IOSWJGWRDRAFSD-HXUWFJFHSA-N 372.367 4.768 0 1 FJAF CC[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600974 DKCRWXAKTPCHQE-NZQKXSOJSA-N 360.409 4.745 0 1 FJAF CC[C@@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609848 DUBZENULXRSEPW-RXVVDRJESA-N 366.438 4.807 0 1 FJAF Cc1cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587609987 AZEPUIRLBSMNLY-YLJYHZDGSA-N 352.411 4.773 0 1 FJAF Cc1c(C(F)(F)C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621858 MIULVTXNTWATAW-UHFFFAOYSA-N 368.103 4.769 0 1 FJAF Cc1ccc(C[C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587814578 ULJHKAXMXZSWLX-BFUOFWGJSA-N 362.286 4.889 0 1 FJAF CCCc1ncc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587853063 KOHMLTFRHOESRK-FVMDXXJSSA-N 369.303 4.621 0 1 FJAF CC(C)Oc1ccc(OC(C)C)n1NCc1ccccc1Br 587941049 PDQYULZMZPMMPB-UHFFFAOYSA-N 367.287 4.569 0 1 FJAF CC(=O)Oc1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1 962669173 RYDIEXBCKITZDP-DEOSSOPVSA-N 357.453 4.688 0 1 FJAF C[C@@]1(C(Cl)(Cl)Cl)c2ccsc2CCN1Cc1ccco1 962701752 DQKAUZZFOVVCEY-ZDUSSCGKSA-N 350.698 4.985 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccc(N2CCCC2)nc1F 963234271 VBSNSOILLBRXNK-KKSFZXQISA-N 353.485 4.567 0 1 FJAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@@]3(C)[C@@H]1CC[C@](C)(C(O)=CO)O2 2356764689 DEWLHZQVWXKVNO-ISOIESLYSA-N 352.471 4.579 0 1 FJAF O=C(/C=C1\OCc2cc(OCc3ccccc3)ccc21)OCc1ccccc1 95567503 UXEZTOQKJGWQCC-UCQKPKSFSA-N 372.420 4.880 0 3 FJAF CCCc1ccc(-c2c(Cl)ncn2-c2ccc(S(C)(=O)=O)cc2)cc1 592948 GZNOOYRMMQBBTO-UHFFFAOYSA-N 374.893 4.549 0 1 FJAF C#CSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 3926367 UYDMBIPEVBFZKB-YHDSQAASSA-N 354.515 4.702 0 1 FJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@@H]1C(=O)N(C)C 4310711 YEIQIXQPDOJJJZ-SJORKVTESA-N 354.853 4.581 0 1 FJAF O=C(CC(c1ccccc1)c1ccccc1)OCCN1CCCCCC1 13864161 QIILMYLBWMCYJQ-UHFFFAOYSA-N 351.490 4.628 0 1 FJAF COC(=O)C[C@H]1c2ccccc2N=C(c2ccccc2)N1c1ccccc1 26993020 VGFJBDMKRLUSIK-NRFANRHFSA-N 356.425 4.889 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1C2 40548236 YWKNRYHANZDVCM-FBPBVXOASA-N 350.506 4.815 0 1 FJAF O=CN1[C@H](c2ccccc2)CC(=O)[C@H](Cc2ccccc2)[C@H]1c1ccccc1 40781736 PPWOMOGHZQKVKU-SONWIMMPSA-N 369.464 4.759 0 1 FJAF COc1ccc(C(=O)CCCN2CCC(Cc3ccccc3)CC2)cc1 59579429 YZXACDOHKIXUDI-UHFFFAOYSA-N 351.490 4.613 0 1 FJAF CCCCn1c2ccccc2c2ccnc(CNCCCN(CC)CC)c21 72120066 ZIBAEDHZYMQXLO-UHFFFAOYSA-N 366.553 4.811 0 1 FJAF COc1cc(Cl)ccc1C(=S)Nc1ccc(Br)cc1 84741317 UFRCMYDUWPIHOJ-UHFFFAOYSA-N 356.672 4.899 0 1 FJAF CCCCc1nn(C)c(C(=O)NCc2ccc(C(C)(C)C)cc2)c1Cl 103196605 PYVYCHDPFMZTBG-UHFFFAOYSA-N 361.917 4.644 0 1 FJAF O=C1C[C@@H](c2ccccc2)C2(C(=O)Nc3ccccc32)[C@H](c2ccccc2)C1 103236017 STYWQWAMLSMLMU-VXKWHMMOSA-N 367.448 4.807 0 1 FJAF CC(=O)OCCCC/C=C(\c1cccnc1)c1c(C)c(O)c(C)c(C)c1O 169712472 LFIQDIIDMJSKIZ-VXLYETTFSA-N 369.461 4.583 0 1 FJAF CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C(F)(F)F)ccc2[nH]1 299833523 PQHGXQQWWSLYNP-UHFFFAOYSA-N 350.340 4.831 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2cnc(C(F)(F)F)[nH]c-2n1 586879424 QOXRNCUUKMBTRP-UHFFFAOYSA-N 354.335 4.966 0 1 FJAF Cc1cc(C)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586914459 NFLKWOYPASMOGH-UHFFFAOYSA-N 358.397 4.948 0 1 FJAF CCc1c([C@@H](C)C(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096597 FIZBJESZOTVMRY-CYBMUJFWSA-N 359.425 4.594 0 1 FJAF Cc1ccc2c3c(c4c(nc13)-c1ccn(C)c1CC4)-c1ccccc1C2=O 587097423 HGBJDGWKWUVSRI-UHFFFAOYSA-N 350.421 4.859 0 1 FJAF COc1ccc(Cl)c(-c2ccc(-c3nc4cc[nH]c(=N)c4[nH]3)cc2F)c1 587143456 TUCZDBVQVFUTDM-UHFFFAOYSA-N 368.799 4.506 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)nc12 587173642 ZGEIISNPEGIDHS-UHFFFAOYSA-N 365.383 4.775 0 1 FJAF O=C1C[C@@H](c2cc(O)cc(Br)c2)Oc2c1ccc1c2CCCC1 587506413 XWPVMIYZSDAJRN-SFHVURJKSA-N 373.246 4.740 0 1 FJAF O=C1C[C@H](c2ccc(-c3ncccn3)cc2)Oc2c1ccc1c2CCCC1 587514706 JDQLUDWVHZBRFE-OAQYLSRUSA-N 356.425 4.729 0 1 FJAF Cc1c(C)c(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1O 587533585 RLOWKJKTEUUIAX-GOSISDBHSA-N 352.430 4.608 0 1 FJAF CCOP(=O)(C[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)OCC 587534371 ZSABVQNSXQEPQS-LJQANCHMSA-N 366.394 4.555 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cccc(C(=O)OC)c3[nH]2)cc1 587565006 SVKQGITUUZEVTJ-UHFFFAOYSA-N 352.434 4.616 0 1 FJAF CC1(C)CCC[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604241 VLKOAIGUTRRUNN-DHUIEDIVSA-N 352.430 4.939 0 1 FJAF COc1cc(NC(=O)c2c(C)[nH]c3cccc(F)c23)c(OC)cc1Cl 587633281 XTNWCKVEWIBTEV-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)c(O)c2)N1 587691991 JGCFIXJNCZKPIP-VPTHRUTESA-N 370.649 4.571 0 1 FJAF CCc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587826985 HQWAILSOBGPTJF-QGHHPUGFSA-N 352.247 4.541 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587828819 QEEZBVCGXASWDK-UQLKUDODSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](C)CC2CCOCC2)N1 587836065 RJDRHHLSZJIADF-FMTVUPSXSA-N 370.306 4.616 0 1 FJAF Cc1ccc(-c2csc(/C(=C/c3ccccc3O)C(=O)O)n2)cc1C 587921094 RYGWPNOUVGUKMZ-YBEGLDIGSA-N 351.427 4.758 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)CSCc1ccccc1 963068785 QOYFXYYATKXOOL-JOCHJYFZSA-N 364.514 4.538 0 1 FJAF CCCN(CCC)CCn1c2ccccc2c2nc3c(nc21)CCCC3 1772619474 PDIPBHWKHXGPMG-UHFFFAOYSA-N 350.510 4.585 0 1 FJAF CCO[C@]1(C)[C@H](O)CC[C@@H]2[C@](C)(CCC(C)=CCO)[C@@H](C)CC[C@]21C 2356416370 RBLSOOWMEDZHMU-SNMGDHFUSA-N 352.559 4.714 0 1 FJAF O=C(CNC1CCCCC1)Nc1ccc(-c2nc3ccccc3s2)cc1 2382217310 NMOUGHFTTTUNNP-UHFFFAOYSA-N 365.502 4.824 0 1 FJAF CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)N1CCCCC1 2382237270 UYXLUDYJXAVQTR-UHFFFAOYSA-N 358.463 4.610 0 1 FJAF O=C(Nc1cccc(NC(=O)c2cccc(Cl)c2)c1)c1cccc(F)c1 805623 QDDMDAZNHLSVNM-UHFFFAOYSA-N 368.795 4.984 0 1 FJAF CC1(C)Cc2cccc(OCCNCc3cncc(C4=CCCC4)c3)c2O1 3949026 XJUROKFTAHXDMI-UHFFFAOYSA-N 364.489 4.531 0 1 FJAF CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NC(=O)c3ccccc3)[C@@H]1C2 13521380 MIWWWWRKAQVMDU-YKEBRPLOSA-N 369.505 4.668 0 1 FJAF COc1cccc2c1cc(C(=O)O)n2Cc1ccc(Cl)c(Cl)c1 13588890 XXZFOOVRCMARER-UHFFFAOYSA-N 350.201 4.703 0 1 FJAF COc1ccc(C2=C(c3ccc(Cl)cc3)C(=O)N3CCC[C@@H]3C2)cc1 28949723 SAYXPNVUFVUEMY-QGZVFWFLSA-N 353.849 4.654 0 1 FJAF COc1ccc(-c2coc3c(CC=C(C)C)c(O)c(OC)cc3c2=O)cc1 31160991 GPAFIEVVHBEBHC-UHFFFAOYSA-N 366.413 4.692 0 1 FJAF CCCCc1c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c1O 40933513 NHXHOWQIBIUTJW-UHFFFAOYSA-N 350.455 4.604 0 1 FJAF CCC[C@@H](Nc1cncc(-c2ccc(O)c(OCC)c2)n1)c1cccnc1 43019038 OLZXISVOEOHHJE-QGZVFWFLSA-N 364.449 4.596 0 1 FJAF Cc1ccsc1C(=CCCN1CC[C@@H]1CC(=O)O)c1sccc1C 49808601 ILUNJUIEAQIGBW-OAHLLOKOSA-N 361.532 4.797 0 1 FJAF CCCCNc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132257 QDOOHIBOEWXEDT-LPHOPBHVSA-N 366.509 4.664 0 1 FJAF NC(=O)c1ccccc1Nc1cccc(OCCc2cccc(Cl)c2)c1 95573521 UGUSYOXHGNXPGX-UHFFFAOYSA-N 366.848 4.804 0 1 FJAF CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl 95601869 WAGKHOXVQFHRGF-UHFFFAOYSA-N 372.818 4.911 0 1 FJAF CC1(C)CC2=Nc3nc(-c4ccccc4)nn3[C@H](c3cccnc3)C2=C(O)C1 104702152 YHAMGIPDIPLTDA-LJQANCHMSA-N 371.444 4.648 0 1 FJAF CCOC(=O)c1ccc2nc(CCSCc3ccc(C)cc3)[nH]c2c1 586970325 DASXSYCWSQIFFE-UHFFFAOYSA-N 354.475 4.524 0 1 FJAF Cc1c(-c2nc3cc(F)c(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587028916 BTEGSHRVHOCQNB-UHFFFAOYSA-N 374.828 4.505 0 1 FJAF COc1cc(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc(Cl)c1O 587046111 KKEGZRJOQOXYFG-UHFFFAOYSA-N 360.694 4.755 0 1 FJAF FC(F)(F)c1ccc(Oc2ccc(-c3nc4ncc[nH]c-4n3)cc2)cc1 587113757 ZIAGRJOUFOBDCU-UHFFFAOYSA-N 356.307 4.783 0 1 FJAF O=C(O)c1cc2nc(Cc3ccc(-c4ccccc4)c(F)c3)[nH]c2cc1F 587145857 SVOMPNZQBQBBMJ-UHFFFAOYSA-N 364.351 4.797 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(OCCC(C)C)cc1)[C@@H](C2)C3=O 587440554 HEAIMEOTNGLTPH-PGRDOPGGSA-N 352.430 4.609 0 1 FJAF COc1cc2c3c(c1)O[C@@](Cc1cccs1)(c1cccs1)[C@@H](C2)C3=O 587451404 OCVGKBSTJQGYQJ-MGPUTAFESA-N 368.479 4.704 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1occc1Br)CC2=O 587459873 ZILSHAYWBFHELV-KRWDZBQOSA-N 365.223 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3ccc(F)cc3s1)CC2=O 587472482 RMBFLIJGCBUGCJ-MRXNPFEDSA-N 357.406 4.800 0 1 FJAF O=C1C[C@@H](c2cc(O)cc(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587504621 FQZVFALLMPOPFZ-SFHVURJKSA-N 362.347 4.996 0 1 FJAF FC(F)(F)c1cc(C(F)(F)F)c2[nH]c(CCOCC3CC3)nc2c1 587783907 JEENESSTSFDRTH-UHFFFAOYSA-N 352.278 4.570 0 1 FJAF CC[C@@]1(c2ccc(C)o2)N[C@H](C)Cc2ccc(F)c(Br)c21 587832168 ZBCKWYHQFPUXTH-QGHHPUGFSA-N 352.247 4.677 0 1 FJAF CC(C)[C@H]1C[C@H]([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCO1 587835040 UAIRPFIJJKFFID-RHMWETHNSA-N 370.306 4.615 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cnc2ccccc2n1 587863051 PDPIMJZNOBRGRK-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF Cc1ccc(-c2csc([C@@H](C)CNC(=O)c3ccccc3)n2)cc1C 587920720 LUJUAHBQFGIBKT-INIZCTEOSA-N 350.487 4.960 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3cccc(OC(F)(F)F)c3[nH]1)CC2 587938217 QOQLLPHLXHBTDD-GFCCVEGCSA-N 362.351 4.743 0 1 FJAF CCN(CC)c1ccc([C@@H]2c3ccsc3CCN2Cc2ccco2)o1 962701722 DPCJILZHXPPBEZ-FQEVSTJZSA-N 356.491 4.928 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn3cc(C)cc(Cl)c3n2)N1 962955165 RZNCJAMSCSBTTM-RBZFPXEDSA-N 364.880 4.791 0 1 FJAF Cc1onc(-c2ccccc2)c1COc1ccc(CCCC(=O)O)cc1 1911572429 JGKZFXDOHJETAC-UHFFFAOYSA-N 351.402 4.636 0 1 FJAF Cc1cc(O)c2c(c1C=O)O[C@]1(C)CC[C@@H]3C(C)(C)C(=O)CC[C@@]3(C)[C@@H]1C2 2356419167 JDDYDTDIIFQNAG-AAUAJYIVSA-N 370.489 4.628 0 1 FJAF O=C(Nc1ccc(Cl)cn1)c1ccc2c(Cl)c3c(nc2c1)CCC3 5035103 DJFSWGQOLSFITN-UHFFFAOYSA-N 358.228 4.678 0 3 FJAF C[C@](O)(c1ccc(F)c(F)c1)c1nc(-c2cccc3cccnc23)cs1 61908696 DOPJRTSEGWDDDJ-FQEVSTJZSA-N 368.408 4.892 0 3 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1C 4166163 GPLGAQQQNWMVMM-PSORQALBSA-N 356.598 4.810 0 1 FJAF O=C(N/C(=C\c1ccc(F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 5545810 ZGMYHLLZBIZPES-ZHZULCJRSA-N 357.388 4.630 0 1 FJAF O[C@@]1(c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)CN2CCC1CC2 13757091 NRFSHENQAHFSKL-RUZDIDTESA-N 355.481 4.934 0 1 FJAF COc1c(O)cc2oc3c(c2c1CC=C(C)C)COc1cc(O)ccc1-3 14819670 XCJOGUASNXVBPZ-UHFFFAOYSA-N 352.386 4.921 0 1 FJAF biogenic CCCN(CC1CC1)c1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 27189863 WMMCIPACDGGJDL-UHFFFAOYSA-N 364.493 4.648 0 1 FJAF COc1ccc([C@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1 38345391 BVWBCENEPRSZES-IBGZPJMESA-N 365.473 4.533 0 1 FJAF O=C(O)c1cccc(Cc2ccc3ccn(-c4cccc(C(=O)O)c4)c3c2)c1 49017039 SLZIDYIHHMHOJF-UHFFFAOYSA-N 371.392 4.618 0 1 FJAF O=C(Nc1cc(Cl)ccc1Cl)NC(C(F)(F)F)C(F)(F)F 68573434 OXMJUPATRQWSGU-UHFFFAOYSA-N 355.065 4.608 0 1 FJAF biogenic CCOP(=O)(OCC)[C@H](NC(=O)c1ccccc1)c1ccccc1F 103203741 HRRJSMWSEJNTSZ-SFHVURJKSA-N 365.341 4.520 0 1 FJAF COc1ccc([C@H](CC(=O)c2ccccc2)[C@H]2C(=O)Nc3ccccc32)cc1 103235997 KYGDMWMGYRSTKK-REWPJTCUSA-N 371.436 4.788 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(Cl)cnc2[nH]1 586995418 GUNOIOBXQBWGTC-UHFFFAOYSA-N 366.646 4.688 0 1 FJAF Fc1cccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)c1C(F)(F)F 587098569 SXUXGLHAJAISHV-UHFFFAOYSA-N 360.213 4.709 0 1 FJAF CC(C)[C@@H](c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1)N(C)C 587198191 AYKMBBGKTRZJST-LBPRGKRZSA-N 353.310 4.859 0 1 FJAF O=C(Cc1ccccc1)Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587205615 DISYZXAPRPLBPH-UHFFFAOYSA-N 363.416 4.801 0 1 FJAF COCC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587344557 DCNBDWXWULVEFF-UGKGYDQZSA-N 372.436 4.712 0 1 FJAF CS[C@@H]1CCCC[C@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587371689 CUKLBQWBUFNNGV-SBHAEUEKSA-N 372.461 4.935 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Cl)cc1OC(F)(F)F)O2 587382906 POPUTQYCSHNCIU-CQSZACIVSA-N 371.742 4.836 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC1CCCC1 587403383 LPWGVBWVBCQFSA-FQEVSTJZSA-N 367.445 4.614 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc4cc(Cl)ccc4o1)[C@@H](C2)C3=O 587423533 VDDUOQVDPOXWEW-XOBRGWDASA-N 354.789 4.758 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(S)c(OC)c1)CC2=O 587494972 ZJZNFBRDMUSGQG-FQEVSTJZSA-N 358.459 4.523 0 1 FJAF C[C@]1(CCc2ccc3c(c2)OCO3)CC(=O)c2ccc3c(c2O1)CCCC3 587536825 WXUAIMGYLYVBRI-QHCPKHFHSA-N 364.441 4.651 0 1 FJAF COC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1-c1cc(F)c(F)cc1F 587624698 PJFXBRJIBKQWLU-UHFFFAOYSA-N 367.754 4.930 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C(C)(C)C)c2)N1 587752146 BYVXCQDMSZAMLO-PIGZYNQJSA-N 365.290 4.768 0 1 FJAF Nc1ccc(-c2ccc3nc(COC/C=C/c4ccccc4)[nH]c3c2)cc1N 587781357 UESFFUUVUDEJMU-QPJJXVBHSA-N 370.456 4.624 0 1 FJAF COc1ccc(C=O)c(-c2nc3cc(Oc4ccccc4)ccc3[nH]2)c1OC 587787212 RSKBPASUAGGOOT-UHFFFAOYSA-N 374.396 4.852 0 1 FJAF CC1=COc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587840957 KZMZGAXNPXZMOI-CWTRNNRKSA-N 374.253 4.662 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(S)cc2)N1 587844347 NDDLAAMZJMQEBI-DYZYQPBXSA-N 366.299 4.675 0 1 FJAF NC(=O)c1cccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c12 587951417 ZQCQRTKPKVOKJL-BUHFOSPRSA-N 355.397 4.625 0 1 FJAF COc1ccc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2n1 587957884 ZKPQPEJNULWOJZ-UHFFFAOYSA-N 361.486 4.885 0 1 FJAF O=C(NC1CCCC1)[C@@H](C1CC1)n1c(C2CCCC2)nc2ccccc21 95602390 KGJKINXYOMEJJZ-HXUWFJFHSA-N 351.494 4.704 0 3 FJAF CC[C@@H]1C[C@]23OC(=O)C(=C2O)[C@@H](O)[C@@H](C)C[C@H](C)CCC[C@]3(C)C=C1C 3802194 YNFLDFCGSWUJDT-MREMGJDTSA-N 362.510 4.684 0 1 FJAF Oc1ccc(Cl)cc1-n1c(S)nnc1-c1ccc(C(F)(F)F)cc1 13558796 ZHRTXAVKFZEURQ-UHFFFAOYSA-N 371.771 4.601 0 1 FJAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC=C2c1cnccn1 26393588 QVTBBCPMVZFZTF-FPZPBXSISA-N 350.506 4.794 0 1 FJAF COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1 28817103 MMHFMRZIXGSYBY-UHFFFAOYSA-N 373.496 4.768 0 1 FJAF in-vivo Cc1c(C(C)(C)C)s/c(=N\C(=O)c2cccc(Cl)c2)n1CC1CC1 28954322 GDXRDKCXJWWHLO-UZYVYHOESA-N 362.926 4.960 0 1 FJAF O=C(Nc1ccccc1-n1cccc1)c1cccc2c1C(=O)c1ccccc1-2 35825796 UZAMREZRZWURPE-UHFFFAOYSA-N 364.404 4.941 0 1 FJAF CC(=O)OC/C1=C(C(=O)O)/C=C\C=C\[C@@](C)(CCc2ccoc2)[C@H](C)CC1 53621990 LLUXACMGLPHSNY-GXZJVSNWSA-N 372.461 4.705 0 1 FJAF COc1ccc(-c2nc3ccc(CCc4cccc(C(=O)O)c4)cc3o2)cc1 95560301 WHFIIWAJYMAREI-UHFFFAOYSA-N 373.408 4.987 0 1 FJAF O=C(O)c1[nH]c2ccccc2c1CCCOc1ccc(C(F)(F)F)cc1 95597103 BSVHSNGREGRCSI-UHFFFAOYSA-N 363.335 4.897 0 1 FJAF CC(C)(C)c1ccc(O)c([C@@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)c1 96937518 DSCWMQWOFNCXSI-DEOSSOPVSA-N 373.452 4.682 0 1 FJAF CC(=O)NC/C=C1/CCc2ccc3nc(CCCCc4ccccc4)oc3c21 118571640 HEWLIENXMUSPDG-HKWRFOASSA-N 374.484 4.859 0 1 FJAF Cc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1F 139356009 ADKZTJSEDYYKTJ-UHFFFAOYSA-N 370.431 4.743 0 1 FJAF C[C@@H]1Nc2nc(ncc2Cl)Nc2cccc(c2)COc2cccc1c2 144464305 OMIMDZMFZXMMGS-LBPRGKRZSA-N 352.825 4.939 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cc(C(F)(F)F)ncc3[nH]2)s1 587014560 NCHYXLQHLQDQFR-QMMMGPOBSA-N 356.373 4.506 0 1 FJAF Sc1nc(S)c2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2n1 587048830 YXGOEPHXEMPVPQ-PHDIDXHHSA-N 369.302 4.508 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2ccnc(Br)c2[nH]1 587109984 ZHIKIDXHOSCJCN-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(C)[C@H](c1nc2c(Cl)c(Cl)cnc2[nH]1)N(C)C(=O)OC(C)(C)C 587198329 YQXHKPYVLKXKSH-GFCCVEGCSA-N 373.284 4.829 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1SC(F)(F)F)[C@@H](C2)C3=O 587418957 BSKKDQXIQPLJLN-SJCJKPOMSA-N 366.360 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1ccc(OC)c(OC)c1)CC2=O 587475659 BTZSNFCRKIEKRE-JOCHJYFZSA-N 370.445 4.633 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@@H]3CCCCO3)o1)CC2=O 587486240 XGEABPXVEXVNRJ-PXNSSMCTSA-N 356.418 4.886 0 1 FJAF Cc1c(Br)cncc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499770 VCTFGGNOGGXCAT-SFHVURJKSA-N 372.262 4.738 0 1 FJAF O=C1C[C@@]2(CCOc3c(Cl)cccc32)Oc2c1ccc1c2CCCC1 587502214 UIGXJCQOTIWVSJ-OAQYLSRUSA-N 354.833 4.862 0 1 FJAF CCC(=O)Nc1cccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587511407 KHTVNNVQXQANOB-HSZRJFAPSA-N 363.457 4.795 0 1 FJAF C[C@@H]1C[C@@H]1c1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587616127 IEVCBUAYFFNMAO-AXXZAYRESA-N 362.381 4.812 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCC(F)(F)F)N1 587710898 UZRPRYGEDRRACM-OQPBUACISA-N 354.185 4.896 0 1 FJAF CC1=C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C[C@@H]1C2(C)C 587817515 LJTACMYHVWQEPV-ARIBTIHSSA-N 364.302 4.940 0 1 FJAF CC(C)c1csc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587849916 BQTYQKJYLJVKHI-RFAUZJTJSA-N 369.303 4.792 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc(C(F)F)cc(C2CC2)n1 587870842 JPSRGPXVKJPKCE-UHFFFAOYSA-N 374.366 4.682 0 1 FJAF Cc1ccc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587873006 AMVWUFIZWLDIEU-CYBMUJFWSA-N 352.365 4.519 0 1 FJAF COc1ccccc1[C@]1(C)C[C@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587929777 KVCYFGHLBNJOGR-SGTLLEGYSA-N 362.351 4.915 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@@]2(C)C[C@@H]1CCCN1C(=O)OC(C)(C)C 963733699 YBARJIOGEZXHNQ-AOMKIAJQSA-N 368.521 4.865 0 1 FJAF CC(C)=CCOc1ccc(-c2cnc(-c3ccc(CN(C)C)cn3)o2)cc1 1772572334 VZEYCURDTJPXBG-UHFFFAOYSA-N 363.461 4.810 0 1 FJAF Cc1cc(Nc2nccc3occc23)ccc1-c1c(C)ncc2nccn12 1857574156 GNZMEDWGRFHELH-UHFFFAOYSA-N 355.401 4.898 0 1 FJAF COc1ccc(-c2ccc3c(c2)C(=O)C(=O)N3Cc2cc(C)cc(C)c2)cc1 1857650154 WGAZGFBNEIQNOH-UHFFFAOYSA-N 371.436 4.709 0 1 FJAF C[C@@H]1NC[C@]23CC[C@@H]4[C@@]5(C)CC[C@H](N(C)C)CC5=CC[C@@]4(C)[C@@H]2CC[C@@H]13 2356657338 BUIVDTLPPVBRTG-HXUHSEGLSA-N 356.598 4.858 0 1 FJAF Cc1cc(O)c2c(c1)C[C@@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]21C 17323664 VZUZGWPYCWZJQF-HMBTXGNUSA-N 366.501 4.505 0 1 FJAF CCCC[C@H](C)COC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26395836 YFJUFXGBUYGFIH-VDNHYVNDSA-N 352.515 4.824 0 1 FJAF C=Cc1ccccc1-c1c(Br)c2cc(C)ccc2c(=O)n1C 28822002 NLGFEYFQSVUUEW-UHFFFAOYSA-N 354.247 4.919 0 1 FJAF Cc1ccc2c(c1)ncn2C1CCN(C(=O)Nc2c(C)cccc2C)CC1 35310776 MJWCDILCBXDIKM-UHFFFAOYSA-N 362.477 4.831 0 1 FJAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1ccccc1Cl 64446575 AQQXLSKTANRVGK-WOJBJXKFSA-N 357.881 4.651 0 1 FJAF in-vivo O=C(c1ccc(NCCn2ccnc2)cc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 64559350 JVLXRJJBDSBUJQ-VQTJNVASSA-N 365.864 4.635 0 1 FJAF CCN1CCC[C@H](Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)C1 66076456 JDVNBGBHCSSKFP-SFHVURJKSA-N 373.504 4.916 0 1 FJAF CC(C)(C)C(C)(C)OC(=O)C(Br)(C(F)(F)F)C(F)(F)F 68573910 QXGAZAJEAZCPEK-UHFFFAOYSA-N 373.131 4.613 0 1 FJAF biogenic CC1(C)[C@H](Cl)C[C@H](Cl)C(=CCBr)[C@@H]1Br 85951861 XOVLIHYBBINBFV-YIZRAAEISA-N 364.936 4.716 0 1 FJAF biogenic O=C(NCc1ccccc1)c1cn(Cc2ccc(F)cc2)c2ccccc12 87721836 QYNFCBSBBFUJPR-UHFFFAOYSA-N 358.416 4.759 0 1 FJAF CC(C)(C)C1=NN(C(=O)Nc2ccccc2)[C@@H](c2ccc3c(c2)OCO3)C1 95557126 OHGZCIQPLGQPTE-MRXNPFEDSA-N 365.433 4.796 0 1 FJAF CC[C@H](Nc1cccc(CN2CC(C(=O)O)C2)c1)c1ccc(Cl)c(C)c1 118393531 YKRQNKJYXWNCCR-FQEVSTJZSA-N 372.896 4.728 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)[C@@](NC(C)C)(C1CCCCC1)C(=O)N2 219462351 NVPQBWHSQMUTRJ-QFIPXVFZSA-N 367.493 4.684 0 1 FJAF COc1ccsc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586994622 ZHCNUDSJIHGGIU-UHFFFAOYSA-N 359.406 4.889 0 1 FJAF COC(=O)c1ccc2nc(-c3nc(-c4ccc(C)cc4)sc3C)[nH]c2c1 587013503 YQEYKQJTVSMYET-UHFFFAOYSA-N 363.442 4.757 0 1 FJAF COc1ccccc1[C@@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 587398284 DTPXLDCZPYJWCB-QFIPXVFZSA-N 351.446 4.637 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCc4ccc(-c5ccccc5)cc41)[C@@H](C2)C3=O 587447121 LTCJFGJVLKGJBA-OFVILXPXSA-N 368.432 4.951 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@H]3CCCO3)s1)CC2=O 587492319 CBOJNEYWKQOKFW-SJORKVTESA-N 358.459 4.964 0 1 FJAF O=C1C[C@@H](c2cccc(CN3CCCC3)c2)Oc2c1ccc1c2CCCC1 587511936 AWCNQVRNWHYEOM-QHCPKHFHSA-N 361.485 4.868 0 1 FJAF Cn1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cccs2)n1 587532428 QWIYAFULGZFDQU-GOSISDBHSA-N 364.470 4.734 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587553401 HCPVXCNEJIQTJA-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF Cc1cccc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1C 587563496 FZDDSYVIVIEVLP-UHFFFAOYSA-N 371.309 4.808 0 1 FJAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2cc(Cl)c(F)cc12 587630211 VSAZBIVIUAKQLZ-UHFFFAOYSA-N 359.653 4.791 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2F)N1 587727722 PFVATMBTOFGJHF-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2nccc3ccccc23)N1 587774910 OEHMKWBLIRMJQD-NSPYISDASA-N 371.253 4.760 0 1 FJAF CC(C)=CCC/C(C)=C/c1nc2cc(I)cnc2[nH]1 587968140 PIESQPITTSGSLM-YRNVUSSQSA-N 367.234 4.712 0 1 FJAF Cc1c(F)ccc2c1[C@H]([C@H]1CCCN(Cc3ccccc3)CC1)NCC2 962298528 MOEWNZPVTRUJRC-REWPJTCUSA-N 352.497 4.623 0 1 FJAF CCCCOc1ccccc1[C@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962620353 HFWPTAJRFRKJJD-AOMKIAJQSA-N 369.505 4.849 0 1 FJAF C[C@H](COc1ccccc1)COc1ccn(-c2cccc(Cl)c2)c(=O)c1 1857580787 OOUZESCBMLGWKJ-MRXNPFEDSA-N 369.848 4.585 0 1 FJAF C1=C(c2nc3ccccc3[nH]2)C(c2ccccc2)=NN[C@@H]1c1ccccc1 1857611822 KXPPNHKAPGKXES-NRFANRHFSA-N 350.425 4.695 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@H](c1cccc(Cl)c1)C(=O)N2 1857628959 RJKAMFDMSQKRBP-GOSISDBHSA-N 354.793 4.684 0 1 FJAF COc1cc(Oc2cccc(Nc3ccccc3)c2)cc(OC)c1CCO 2382246929 WVPKMBSUELOMRN-UHFFFAOYSA-N 365.429 4.775 0 1 FJAF COc1ccc(/N=c2\[nH]ccc3[nH]c(-c4cccc(C(C)C)c4)nc23)cc1 74386276 AFDHEAJZGANJOR-UHFFFAOYSA-N 358.445 4.922 0 3 FJAF O=C(NC1CCCC1)[C@H](C1CC1)n1c(C2CCCC2)nc2ccccc21 95602389 KGJKINXYOMEJJZ-FQEVSTJZSA-N 351.494 4.704 0 3 FJAF C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN[C@H](C)c4ccccc4)[C@H]3C=C12 5529346 JFWJNPMZQASWPB-XRDUCJSESA-N 353.506 4.651 0 1 FJAF CCOc1ccc(NC(=O)C2[C@H]3CC[C@@H]4[C@@H](CC[C@@H]23)C4(Cl)Cl)cc1 13154138 VSTUIVZSQLCSLN-AKWQBFHWSA-N 368.304 4.880 0 1 FJAF COc1ccc([C@H]2c3cc(OC)c(OC)cc3C=C(C)[C@H]2C)cc1OC 14726919 GRJMIMFTPGNXIC-PEBXRYMYSA-N 354.446 4.906 0 1 FJAF biogenic COc1ccc(C(=O)C2=NCCc3cc(OCc4ccccc4)ccc32)cc1 27556906 LQJKCNNPFDOYII-UHFFFAOYSA-N 371.436 4.502 0 1 FJAF c1ccc(C2=Nc3c(ncnc3N3CCCC3)Sc3ccccc32)cc1 35942290 IMADBEVPZPVGGI-UHFFFAOYSA-N 358.470 4.711 0 1 FJAF CN(C)CCCN(C)CCCN1c2ccccc2Sc2ccccc21 40848721 MTWWMWJVGRPNPU-UHFFFAOYSA-N 355.551 4.563 0 1 FJAF CN1CCc2cc(Cl)c(O)cc2[C@@H]1Cc1ccccc1Br 45300320 MSEVMHUUSIDZGV-INIZCTEOSA-N 366.686 4.580 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(Oc3ncnc4ccn(C)c34)cc2)c1 64491880 FAICIPSJBXCWEZ-UHFFFAOYSA-N 373.416 4.713 0 1 FJAF O=C1CCc2cc(-c3cncc(-c4cc(F)cc(F)c4)c3)cc3c2N1CC3 71330425 NGYMECCPFYBFMF-UHFFFAOYSA-N 362.379 4.529 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c([C@@H]3CCCCC[C@@H]3O)nnc12 72109146 JGUHONHSPUGTCT-ZBFHGGJFSA-N 371.868 4.892 0 1 FJAF CCOc1ccc(-c2nc(CNC34CC5CC(CC(C5)C3)C4)co2)cc1 72185609 DCRDLJSQOQICCK-UHFFFAOYSA-N 352.478 4.799 0 1 FJAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccccc3F)n2)o1 82175082 VWZFZWBJLXRKBU-UHFFFAOYSA-N 364.380 4.760 0 1 FJAF Cc1c(OCCCCCN(C)C)ccc2c(=O)cc(-c3ccccc3)oc12 96271279 REFAZYLZAXUBGI-UHFFFAOYSA-N 365.473 4.879 0 1 FJAF COc1cc(NCc2ccc(Br)s2)ccc1-c1cnco1 96935294 USKNJQIWEIRECN-UHFFFAOYSA-N 365.252 4.786 0 1 FJAF CCOc1cc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3[nH]nc(C)c32)ccc1O 101684605 HDWYUWILQCBTCZ-SFHVURJKSA-N 367.449 4.673 0 1 FJAF Cn1ccc(C2=CC[C@H]3[C@@H]4CC=C5C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 118934030 MWFGFJCWGXXGTB-NFLIXYCQSA-N 352.522 4.737 0 1 FJAF CC(C)(C)Nc1c(-c2ccccc2O)nc2ccc(Br)cn12 169326066 VRFAXAUHMPISDV-UHFFFAOYSA-N 360.255 4.680 0 1 FJAF COc1cc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2cc1C 586975871 GNDLWZBZDUDPTI-FNORWQNLSA-N 373.250 4.821 0 1 FJAF O=C(O)c1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990505 KWKLHRQJQNQTIY-UHFFFAOYSA-N 367.360 4.517 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc(OC)c(OC)cc4[nH]3)cs2)cc1 587016232 SFTLAYAKIKUOIQ-UHFFFAOYSA-N 365.458 4.933 0 1 FJAF Cc1cc(Br)cc2[nH]c(C(=O)Nc3ccccc3Cl)nc12 587060310 KWDKLNWFNLVWMC-UHFFFAOYSA-N 364.630 4.540 0 1 FJAF C[C@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)n1cc(Cl)cn1 587082102 KJMPKLOYQJPGIV-CYBMUJFWSA-N 352.825 4.601 0 1 FJAF CSc1ccc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2c1 587168954 OOLAGBVPTPTSED-UHFFFAOYSA-N 365.437 4.549 0 1 FJAF C[C@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587334803 ZBCZUSLYNCLUGB-FUHWJXTLSA-N 368.326 4.991 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OCCc3ccccc3)cc1)O2 587400556 QVCYOAUMPGGEJW-QHCPKHFHSA-N 373.452 4.905 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1O[C@@H]1c1ccccc1)O2 587408393 MHTJGFDGBWUKTN-NHTMILBNSA-N 371.436 4.578 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(Cl)cccc1OC)CC2=O 587460644 OKPYPZOKWDEHBT-HXUWFJFHSA-N 360.837 4.887 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@H]2c1ccccc1 587603323 LXXSQTDOZWDRGH-NYDSKATKSA-N 358.393 4.670 0 1 FJAF CCn1c(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587754465 YYEQGUCPJNLVJD-YPMLDQLKSA-N 365.290 4.650 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc3C2)N1 587817225 JKVHKTCRTSZMLG-BUXKBTBVSA-N 360.270 4.507 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H]2CC(C)(C)CCC2=O)N1 587822674 LWKPTYMBWZSDTI-MOCULFSLSA-N 368.290 4.559 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CSC(C)(C)C)N1 587841143 PYCJGDQZAOEVOQ-QLJPJBMISA-N 360.336 4.869 0 1 FJAF CCCc1csc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)n1 587853338 QAQNQOJDSDWHCA-BJOHPYRUSA-N 369.303 4.621 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3cc(Cl)nc(Cl)c3[nH]2)CC1 587970935 PANUARRCOKVFSJ-UHFFFAOYSA-N 360.244 4.694 0 1 FJAF Cc1cc2c(cc1F)[C@@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)NCC2 962297524 JNVHURDNYNVMKD-DEOSSOPVSA-N 372.443 4.539 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(=O)O)c1c(C)cc(C)cc1C 963228694 MMXNKFSSHZOMNC-FDDCHVKYSA-N 351.490 4.597 0 1 FJAF CC[C@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27640609 FVIICCXIXDSZAK-GOSISDBHSA-N 371.260 4.782 0 1 FJAF N=C(Nc1ccc2ccn(CCN3CCCCC3)c2c1)c1cccs1 34805727 FKCNYVLXQRSYPN-UHFFFAOYSA-N 352.507 4.626 0 1 FJAF Cc1c(/C=C/c2oc3ccc(C(=N)N)cc3c2C)oc2cc(C(=N)N)ccc12 66122751 FGBSHPRTGPSOHI-BQYQJAHWSA-N 372.428 4.534 0 1 FJAF COc1ccc(C(=O)c2coc3c(Cl)c(Cl)c(O)cc23)cc1OC 72176309 TWPYUKBPXBZBDR-UHFFFAOYSA-N 367.184 4.693 0 1 FJAF CCCOc1ccc(-c2cccc(C(=O)NCCCN(CC)CC)c2)cc1 84671813 LJZFCAOVMAZBCD-UHFFFAOYSA-N 368.521 4.604 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(Br)c(F)cc3[nH]2)cc1 586889718 MQDSRCUILLVTKS-HWPZZCPQSA-N 363.230 4.610 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3ccnc(Cl)c3[nH]2)c(C)c1 586967078 VUPPSVUFSYXXAG-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF Cc1cc(Br)cc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016148 HJPNEBRCPRBHLU-GFCCVEGCSA-N 364.268 4.609 0 1 FJAF C[C@H](CC(=O)c1ccc(Cl)cc1)c1nc2c(F)cnc(Cl)c2[nH]1 587069049 HPBSHBKONMRMTD-MRVPVSSYSA-N 352.196 4.780 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(C)ccnc2[nH]1 587121801 LRPAJDGDYIIUDG-UHFFFAOYSA-N 358.323 4.689 0 1 FJAF N[C@H](c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)c1ccc(F)cc1F 587152018 XXBXUODANIPNQP-ZDUSSCGKSA-N 361.701 4.561 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3ccc(Cl)nc3[nH]2)c1 587159211 MZHMWWQYDBFGOH-UHFFFAOYSA-N 363.783 4.756 0 1 FJAF Nc1cccc(C(=O)O)c1-c1nc2ccc(Sc3ccccc3)cc2[nH]1 587251077 XXGXGWVLLVRWOJ-UHFFFAOYSA-N 361.426 4.662 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)cn1 587341396 WMGRTOMIECOZHC-IFMALSPDSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(OC(F)(F)C(F)F)cc1)O2 587380792 ATVOZTNKSZNSSX-HNNXBMFYSA-N 369.314 4.520 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1oc(-c3ccc(F)cc3)nc1C)O2 587383601 CVUNRKPWGPUIIQ-NRFANRHFSA-N 366.392 4.560 0 1 FJAF COc1cccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c1 587404049 UEZXCXTXMZXHBU-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CC(=O)OCc1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531444 KGVSWYWNKNAVDI-NRFANRHFSA-N 370.470 4.571 0 1 FJAF Cc1cc(F)ccc1[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587566761 AZGXLWOHIYUWEM-DENIHFKCSA-N 364.372 4.717 0 1 FJAF COC(=O)C(=O)c1c(-c2cccc(Cl)c2)[nH]c2c(C)cc(Cl)cc12 587624233 GVLHNAZMOWXQIP-UHFFFAOYSA-N 362.212 4.806 0 1 FJAF Cc1cccc(F)c1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587723597 XQEDOYBIKYEUGR-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc3cc[nH]c23)N1 587802513 MGOHAAYKBHIWDG-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c[nH]c3ccccc23)N1 587808496 ZLPWYUTXQXTJCS-NSPYISDASA-N 373.269 4.867 0 1 FJAF COc1ccc(C)cc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587811380 ZTPMSSVCGDHECG-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccco2)N1 587828636 OPDVAVZOCOIOOD-GTNSWQLSSA-N 352.247 4.563 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2S)N1 587844436 NXJNUAMGYQVBOY-DYZYQPBXSA-N 366.299 4.675 0 1 FJAF CC(C)c1nc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cs1 587853401 QVNGIMUBBZCVGF-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF COc1ccccc1NC(=O)Cc1nc(-c2ccc(C)c(C)c2)cs1 587920205 FDFXXKWICIKBEF-UHFFFAOYSA-N 352.459 4.617 0 1 FJAF COc1cc2c(cc1OC)C1(CC(c3cccc(C)c3)C1)N(C)[C@H](C)C2 962633621 KKWDELBGKWTMMU-VHJYZYJHSA-N 351.490 4.662 0 1 FJAF CN(CCCCN1C(=O)OC[C@@H]1c1ccccc1)Cc1ccc(Cl)cc1 1772584947 IMCCNHBMGUOQCM-HXUWFJFHSA-N 372.896 4.746 0 1 FJAF CC[C@H]1CCCCN1C(=O)n1ncc(-c2ccc(-c3ccccc3)cc2)n1 1772616393 BZQAMWCNBVODHQ-FQEVSTJZSA-N 360.461 4.845 0 1 FJAF CC(C)(C)c1noc(-c2ccccc2)c1C(=O)NCCc1ccc(F)cc1 775471 PVXRPMVGUPPZBJ-UHFFFAOYSA-N 366.436 4.751 0 1 FJAF O=C(NCc1cccc(C(F)(F)F)c1)Nc1cccc2ccc(O)cc12 13589058 AKMCJQIGFNMJLR-UHFFFAOYSA-N 360.335 4.886 0 1 FJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)O1 27863752 FBQKLQQRNHLVNX-MNOVXSKESA-N 373.663 4.799 0 1 FJAF Cc1ccc(NC(=O)Nc2ccc(-c3cccc4n[nH]c(N)c34)cc2)cc1 28604320 ZVVIKPIHXSNXJY-UHFFFAOYSA-N 357.417 4.765 0 1 FJAF Cc1cccc(-n2nc(-c3ccccc3)c3c(=O)[nH]c4ccccc4c32)c1 29412698 VVTSULQNLFYNEK-UHFFFAOYSA-N 351.409 4.842 0 1 FJAF Cc1cccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)c1 34634898 LFXWFRARASSVPY-UHFFFAOYSA-N 359.425 4.932 0 1 FJAF O=C(O)[C@@H]1CCCN(CC/C=C(/c2ccccc2)c2c(F)cccc2F)C1 66263748 MFJQMFNNMPTZDO-RMFUMNGISA-N 371.427 4.583 0 1 FJAF O=C(CCc1ccc(O)cc1)C[C@H](O)CCCCCCc1ccccc1 82155077 XDTCCLMIQQZZNE-JOCHJYFZSA-N 354.490 4.838 0 1 FJAF C1=C\CCOc2cccc(c2)-c2ccnc(n2)Nc2cccc(c2)OCC/1 96903198 UHIXWXSSDNZPPY-UPHRSURJSA-N 359.429 4.995 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 101152202 FMMKJMIJNXFPMS-IAGOWNOFSA-N 356.491 4.517 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(Cl)cc1 103953495 ANIDDRBULOYSCI-CYBMUJFWSA-N 373.865 4.772 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccc(F)c1 104056354 XXXDEWQXXFFHEI-AWEZNQCLSA-N 371.437 4.647 0 1 FJAF Cc1cc2nnc(C(F)(F)F)n2cc1-c1ccc(OC(F)(F)F)cc1 114877132 OWDUOSUDGJLJOB-UHFFFAOYSA-N 361.245 4.622 0 1 FJAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1cc2ccccc2o1 116232000 CFNMSJUXFABTQT-ZDUSSCGKSA-N 373.412 4.730 0 1 FJAF O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(F)cc2F)ccc1O 216068873 MGHOIMMKGRTYMP-UHFFFAOYSA-N 361.294 4.868 0 1 FJAF O=c1ccc2cc(-c3nc4c(OCc5ccccc5)cccc4[nH]3)ccc2o1 586917653 HPRGHHOWYXMBRM-UHFFFAOYSA-N 368.392 4.915 0 1 FJAF CN(C)CCOc1ccc2nc(-c3cccc(-c4ccsc4)c3)[nH]c2c1 587025895 PANURTDSJBIJMJ-UHFFFAOYSA-N 363.486 4.899 0 1 FJAF Cc1cc(C)c2[nH]c(-c3cccc(OCn4cc(Cl)cn4)c3)nc2c1 587082363 PGCPFVVKNZIQGN-UHFFFAOYSA-N 352.825 4.733 0 1 FJAF COc1cccc2c1Cc1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587108183 YSLXEGUTXFRSNQ-UHFFFAOYSA-N 363.416 4.950 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc4cccc(C)c4nc1Cl)[C@@H](C2)C3=O 587421124 NSNSHYZNZBXZLN-XOBRGWDASA-N 365.816 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@]1(C)CCC(=O)OC)CC2=O 587481001 QKNLOTJTTWZAHH-YADHBBJMSA-N 374.477 4.582 0 1 FJAF CCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587522159 KCLCRFNMGIWLJV-OAQYLSRUSA-N 352.430 4.766 0 1 FJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc(F)c1F 587557053 LHOIKRVQVHTHFB-UTKZUKDTSA-N 368.335 4.682 0 1 FJAF CC(C)C[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603799 PQFDLOSDSMFKQK-LYLBAIIYSA-N 352.430 4.939 0 1 FJAF Cc1cc(Cl)cc2c(NC(=O)CCC(=O)O)c(-c3ccccc3)[nH]c12 587627376 UARJSYAQNKPKKW-UHFFFAOYSA-N 356.809 4.600 0 1 FJAF CCc1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1C 587793570 QYSCXYWJKCMTLA-NIVTXAMTSA-N 365.290 4.719 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(Cl)s2)N1 587846806 IEHJJTFJXRZGQB-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)s2)N1 587847926 MUKUSYWMBPGSKY-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF COc1ccc(C[C@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC 587925747 HLHMJPJQJOHACJ-VIFPVBQESA-N 366.248 4.628 0 1 FJAF Cc1c(F)ccc2c1[C@H]([C@@H]1CCCN(Cc3ccccc3)CC1)NCC2 962298526 MOEWNZPVTRUJRC-OFNKIYASSA-N 352.497 4.623 0 1 FJAF CCCCSc1ncc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)cn1 963118593 ZSUBOUUBZGTMOH-QFBILLFUSA-N 357.498 4.618 0 1 FJAF CCCCC(C)(C)[C@H](O)C=C[C@H]1CCC(=O)[C@H]1CC=CCCCC(=O)O 2356385397 LLVVDFDWPQHXBA-WSTZPKSXSA-N 364.526 4.916 0 1 FJAF C[C@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(Cl)cc2)=NO1 13478340 OQFDRJIIIXVWKC-GOSISDBHSA-N 357.772 4.569 0 3 FJAF Cc1ccc(C2=NO[C@@](C)(c3nnc(-c4ccc(Cl)cc4)o3)C2)cc1 13660353 JMMNHLJIBWBYBL-LJQANCHMSA-N 353.809 4.738 0 3 FJAF Cc1c([C@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O 587582 UBGUQYHIHIWAKK-SNVBAGLBSA-N 350.434 4.543 0 1 FJAF CCc1cc(NCc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C 5887203 VTWDQQNZHHCVKP-UHFFFAOYSA-N 351.233 4.911 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(Br)cc3C[C@@H]1[C@@H]2C 169339839 YTONQGWHDGBSSY-IRWQIABSSA-N 364.327 4.645 0 1 FJAF CC(=O)OC/C1=C2\C(=O)O[C@H](C/C(C)=C/CC1)[C@H]2[C@@H](C)CCC=C(C)C 195768264 AGPUEDODDFNEDE-VMEQPOOPSA-N 360.494 4.900 0 1 FJAF CCCC[C@H]1CC[C@H](c2ccc(-c3nc4c(O)nc(=N)[nH]c4[nH]3)cc2)CC1 586880531 MAGHCWGBZWSSRO-HDJSIYSDSA-N 365.481 4.602 0 1 FJAF COc1cc(/C=C/c2nc3cccc(OC)c3[nH]2)ccc1Br 586977868 USPIDXFDUXQDSI-VQHVLOKHSA-N 359.223 4.513 0 1 FJAF Cc1nn(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)c(C)c1Cl 587065843 ZFPLIUZMHWZTMO-UHFFFAOYSA-N 358.779 4.964 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(Cl)cnc2[nH]1 587163163 LLSISTLGCLTVHF-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccco1)O2 587378252 NFBBDJABPCCJLJ-HXUWFJFHSA-N 353.805 4.733 0 1 FJAF C[C@]1(c2cncc(Br)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587496538 HYLUALBHWKVVIV-LJQANCHMSA-N 372.262 4.604 0 1 FJAF COC(=O)c1ccc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587504886 IPQMTBBJBBPPDY-IBGZPJMESA-N 370.832 4.712 0 1 FJAF O=C1C[C@@](c2ccccn2)(c2cccs2)Oc2c1ccc1c2CCCC1 587531856 MVJIFJIGAYAHIW-JOCHJYFZSA-N 361.466 4.931 0 1 FJAF Cc1c(-c2cc(F)ccc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587622254 HDRHEMFUFXKVKF-UHFFFAOYSA-N 360.186 4.627 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@@H]2C[C@H]3C=C[C@@H]2C3)N1 587818538 ILOPIXBKEZRLNQ-MNXLVCHVSA-N 350.275 4.550 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(Cl)cc1F 587870642 FYFKKTPMVRIKNN-UHFFFAOYSA-N 362.763 4.569 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(CN3CCCCC3)s1)N1CCC[C@@H]1C2 963109519 UYESSEKKVGOJET-VGSWGCGISA-N 370.537 4.983 0 1 FJAF COC(=O)[C@@H]1N=C1C=CCCCCCCCCCC=CBr 2356404236 HWTOGRCLPJNRKP-MRXNPFEDSA-N 356.304 4.958 0 1 FJAF C[C@@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1cc2ccccc2o1 61896568 YFNJVQCWTWGFKJ-QHCPKHFHSA-N 371.440 4.584 0 3 FJAF COc1ccc2[nH]c(-c3ccccc3)c(CCNC(=O)C3CCCC3)c2c1 13740889 YUTIINJAPTUJNI-UHFFFAOYSA-N 362.473 4.692 0 1 FJAF C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3cccnc3)nc21 13835486 DTMNXUIEZZDGTK-OAHLLOKOSA-N 365.440 4.838 0 1 FJAF Nc1nc(Nc2cccc(Cl)c2)ccc1C(=O)c1c(F)cccc1F 14945643 XWUSVGLBXSKHNH-UHFFFAOYSA-N 359.763 4.570 0 1 FJAF COc1ccc(-c2ccoc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1 22938143 HYVDVRAQILFVQT-GMAHTHKFSA-N 362.473 4.538 0 1 FJAF CCCN(CC1CC1)c1nc(C)nc(Nc2c(CC)cccc2CC)n1 27440043 JEMRURDVDSLQHS-UHFFFAOYSA-N 353.514 4.675 0 1 FJAF Cc1c(OCCCCOc2cccnc2)ccc(C(=O)CC(C)C)c1O 28368463 UKAJWUIHQGXPJH-UHFFFAOYSA-N 357.450 4.562 0 1 FJAF O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1 28571093 QAJYGCFIHFNUML-UHFFFAOYSA-N 367.412 4.535 0 1 FJAF Clc1ccc(CN2CCc3ccccc3[C@H]2Cn2ccnc2)c(Cl)c1 28762118 HBJAOCSVOWFVGR-HXUWFJFHSA-N 372.299 4.990 0 1 FJAF C[C@H]1N=C(S)N(Nc2cccc(Br)c2)[C@@H]1c1ccccc1 29335555 IXLMOBLDCWHKDJ-ABAIWWIYSA-N 362.296 4.507 0 1 FJAF Clc1ccccc1-c1nnc2sc(-c3nccc4ccccc34)nn12 49111107 RENXCMBOJNWKCV-UHFFFAOYSA-N 363.833 4.721 0 1 FJAF Brc1cccc(NC2CCN(CCc3ccccc3)CC2)c1 66066526 STWGUDFCKUUKHB-UHFFFAOYSA-N 359.311 4.568 0 1 FJAF COC(=O)/C=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 78522040 AQJDWVJQNYDHGA-GYHWKCRYSA-N 360.538 4.735 0 1 FJAF Clc1ccc(CNc2ncncc2-c2ccc3c(c2)OCO3)cc1Cl 95755474 SEERTRJTWMFXIC-UHFFFAOYSA-N 374.227 4.791 0 1 FJAF CC(C)Cc1ccc([C@@H](C)c2nnc3sc(-c4ccco4)nn23)cc1 103216987 QHJXSLXDDUXRLS-CYBMUJFWSA-N 352.463 4.796 0 1 FJAF OC1=C2C(=Nc3nc(Cc4ccccc4)nn3[C@@H]2c2cccs2)CCC1 104060326 JFIOUINNSXWVFR-LJQANCHMSA-N 362.458 4.602 0 1 FJAF FC(F)(F)c1cccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043391 ZHLFHGINRZXXBX-LSDHHAIUSA-N 363.408 4.528 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc3c(cc2[nH]1)OCCCO3 587067878 SSRNGPLBNXOSOM-GFCCVEGCSA-N 358.825 4.826 0 1 FJAF Clc1cc(-c2nc3cc(Br)ncc3[nH]2)c2ccccc2n1 587085254 OSLCFLQDIHDXDE-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@@H](C(=O)O)[C@H]4C)-c1ccccc1C2=O 587101564 OFFZMEKFNGDPRF-CHWSQXEVSA-N 357.409 4.505 0 1 FJAF COc1cc(O)cc(O)c1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587106513 IOUCSWPGYLLABG-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF O=C(Nc1ccc(F)cc1)N1CCC[C@@H]1c1nc2cccc(Cl)c2[nH]1 587167046 GCKDXJVTWMIBST-OAHLLOKOSA-N 358.804 4.724 0 1 FJAF CSc1ccc2nc(C[C@@H](NC(=O)OC(C)(C)C)C(C)(C)C)[nH]c2c1 587204835 MGMLJPSUOGOANW-OAHLLOKOSA-N 363.527 4.767 0 1 FJAF CCOC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587364201 ZNLBGAJZNHWRHL-INIZCTEOSA-N 373.408 4.859 0 1 FJAF COc1ccc(Cc2ccccc2)cc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587401417 XVVHIKSNJCVARM-HSZRJFAPSA-N 373.452 4.883 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(C(F)(F)F)c(F)c1)[C@@H](C2)C3=O 587418772 CMMALIOMXCWGIC-SCLBCKFNSA-N 366.310 4.516 0 1 FJAF COc1cccc(-c2ccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587444076 RZIRQIGIMKEJBP-YKSBVNFPSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3cc(F)ccc13)CC2=O 587471688 MGGNAJGOCWRDIN-OAQYLSRUSA-N 353.393 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(OCC)c(OC)cc1C)CC2=O 587481821 SLXNBNLQMXAVSU-IBGZPJMESA-N 370.445 4.767 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC(F)F 587509801 WSOPAOZHJWRISG-SFHVURJKSA-N 374.383 4.882 0 1 FJAF O=C(O)CCC(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2cc(F)ccc12 587632446 BZZBDCWPQNSZOS-UHFFFAOYSA-N 359.784 4.604 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3c(F)cccc3F)c2c1 587643438 ULWIOSMACKWBEQ-LLVKDONJSA-N 371.383 4.977 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=CC=CC=C2Cl)N1 587702666 DTXSWCLSLALCFJ-QLJPJBMISA-N 354.650 4.566 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3cc[nH]c3c2)N1 587806118 UUYUWUPUDXLOJU-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF Cc1cccc2c1CC[C@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587816872 FFUGFBMWCUOVGR-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2O)N1 587832945 LJFRUIMXOAPXKT-GVMAILNXSA-N 362.242 4.583 0 1 FJAF COc1ccc(C(C)C)cc1[C@H]1c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962640867 XDLAFPCJRVLPRO-QRQCRPRQSA-N 369.505 4.802 0 1 FJAF Cc1cc(C)c2c(=O)c([C@H]3NCCc4c(Cl)cc(Cl)cc43)coc2c1 963118410 FVRDQOFYWFXQQS-IBGZPJMESA-N 374.267 4.952 0 1 FJAF O=C(O)c1cccc(Cc2c(C3CCCCC3)nn3cc(Cl)ccc23)n1 1772651146 VAHYFEWQXPLZAC-UHFFFAOYSA-N 369.852 4.719 0 1 FJAF CCOC(=O)c1c(NCc2nc3ccccc3[nH]2)sc2c1CCCCC2 1857653151 CGJZNCITDMMIID-UHFFFAOYSA-N 369.490 4.682 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(C)=O)[C@]2(C)[C@H]1C 2356643226 LJMVPNYZXHUHTL-ALFISZSVSA-N 374.477 4.679 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](OCc1ccc(OC)c(OC)c1)O2 2356660026 BZNBZVBEJHYNGR-JLCFBVMHSA-N 370.445 4.784 0 1 FJAF CO[C@H](CNC(=O)C=Cc1ccccc1)c1ccc(OCC=C(C)C)cc1 2356684175 MLCNANOYWKNAAF-JOCHJYFZSA-N 365.473 4.549 0 1 FJAF CCOc1ccccc1O[C@@H](c1ccccc1)[C@H](OC)c1nccn1CC 2356858648 TWBZUKUMQOTBNE-SFTDATJTSA-N 366.461 4.810 0 1 FJAF CC1(C)CC(=O)[C@H]2C(=Nc3cc4c(cc3[C@@H]2c2ccc(F)cc2)OCO4)C1 17525790 SCZNBUSACJWPPT-LEWJYISDSA-N 365.404 4.778 0 1 FJAF CNc1nc(N(C)C)nc2ccc3c(ccn3Cc3ccc(C(C)C)cc3)c12 26183556 WRGIOZQVFSODHP-UHFFFAOYSA-N 373.504 4.864 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(N=O)cc3C)c(C)nn12 28336128 VYMNBUQVQUXHSM-UHFFFAOYSA-N 366.469 4.741 0 1 FJAF N=c1sccn1CCCCCCCCCCCCn1ccsc1=N 28865327 QEOFXQQGZLPKED-UHFFFAOYSA-N 366.600 4.973 0 1 FJAF CCC(CC)Nc1nc(C)nc2c(-c3ccc(OC)c(C)c3C)c(C)nn12 40402172 UTEWLEXAJLMPSL-UHFFFAOYSA-N 367.497 4.634 0 1 FJAF Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3ccc(Cl)cc3)N2)cc1 40950254 MRMXQLNSYVKKLS-UHFFFAOYSA-N 368.814 4.912 0 1 FJAF CCc1cnc(-c2cnc(NCC3CC3)nc2-c2ccccc2C)s1 82177314 YNGKPLHCJBQBOZ-UHFFFAOYSA-N 350.491 4.960 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@@H]1OC(=O)C(C)=C1C(=O)O 85945691 KYSXDEQQOVVLIN-SFHVURJKSA-N 366.498 4.973 0 1 FJAF biogenic Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C(=O)O)o3)nnc2c1 96167726 YXZAGBKBQXYNLW-UHFFFAOYSA-N 374.400 4.652 0 1 FJAF Brc1cccc(Nc2nccc(OCC3CCCCC3)n2)c1 103191890 GEOBJBMKIBCZBS-UHFFFAOYSA-N 362.271 4.942 0 1 FJAF CC[C@@H]1C(=O)N(C2CCN([C@@H]3CCc4ccccc4C3)CC2)c2ccccc21 117334546 PEUSKIKGDTWFQX-YADHBBJMSA-N 374.528 4.549 0 1 FJAF Clc1cccc(Cl)c1CCO[C@@H]1CCCC[C@@H]1N1CCSC1 142327877 HDTKTGATXZRRTG-DLBZAZTESA-N 360.350 4.870 0 1 FJAF C[C@@H](NC(=O)[C@@H]1CCCc2ncsc21)c1ccc(Cl)cc1Cl 220882973 NOLDZMBPPJQJGJ-BXKDBHETSA-N 355.290 4.747 0 1 FJAF Fc1cc2[nH]c(CCc3cc4ccccc4o3)nc2cc1Br 586903013 FIGGOMJRNVFIMR-UHFFFAOYSA-N 359.198 4.996 0 1 FJAF O=[S@](Cc1nc2cccc(F)c2[nH]1)C(c1ccccc1)c1ccccc1 586957651 AISRFEYQDVJCNI-AREMUKBSSA-N 364.445 4.740 0 1 FJAF Brc1ccc([C@H](c2nc3ccccc3[nH]2)N2CCCC2)cc1 586984365 FRDGIPAXFVWVGD-QGZVFWFLSA-N 356.267 4.511 0 1 FJAF CCCC(=O)O[C@@H](C)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989225 BSAFXROLOSYDQI-LBPRGKRZSA-N 361.397 4.556 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]([C@@H]1CCOC1)CCC3 586991875 QPBFOPSTZGEZIZ-KGLIPLIRSA-N 371.436 4.608 0 1 FJAF Fc1c(Br)cc2nc([C@H]3Cc4ccccc4S3)[nH]c2c1F 587043832 VSWXOKVADXXEOX-LLVKDONJSA-N 367.218 4.993 0 1 FJAF COc1ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c(Cl)n1 587084312 XZLCFLHUMBEHAE-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](C(=O)C(F)(F)F)CC3 587103091 BDACAGKLRVBLAR-CQSZACIVSA-N 367.326 4.607 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(C)c(Br)c1)O2 587378597 WAUBZLYRXINZNV-GOSISDBHSA-N 360.251 4.529 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc3oc4cc(N)ccc4c3c1)O2 587392481 ZXBRYUADKFQLKG-HSZRJFAPSA-N 372.424 4.939 0 1 FJAF COc1ccc(-c2cccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587403774 QSWBWDJXSXFDDI-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF CC(=O)c1ccc(-c2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)o2)cc1 587414636 WPCNJSWLKMFTNU-OAQYLSRUSA-N 361.397 4.746 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccsc1N)(C(C)(C)C)CC2=O 587495771 TYQKDSCCJPGBMW-HXUWFJFHSA-N 359.491 4.895 0 1 FJAF CC(=O)c1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nc1C 587518472 IXXUPNJESKUTDJ-HSZRJFAPSA-N 363.457 4.660 0 1 FJAF Cc1ccsc1[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615516 XUJTYZCMUCPTKG-JXFKEZNVSA-N 352.411 4.639 0 1 FJAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2ccc(F)c(Cl)c12 587631588 PWYZNIASRRAZLR-JTQLQIEISA-N 370.852 4.735 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)c(F)c2)N1 587725943 TUQPCSAWGFDIPI-XYZCENFISA-N 370.212 4.664 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)cc1O 587786285 LBANWEDMJACRJU-UHFFFAOYSA-N 358.397 4.814 0 1 FJAF CCOc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587803514 WWFJYSKBICKTCS-ZMZPIMSZSA-N 364.258 4.611 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3[nH]ccc3c2)N1 587803995 QJZXLGVQFUQCDQ-WLRWDXFRSA-N 373.269 4.867 0 1 FJAF Cc1coc(C)c1[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587826639 FXVCUPSJGOVYDS-BMLIUANNSA-N 352.247 4.596 0 1 FJAF COc1cccc2c1OCC([C@H]1NCCc3c(Cl)cc(Cl)cc31)=C2 963115891 AZPFCBBRCSOUFK-GOSISDBHSA-N 362.256 4.665 0 1 FJAF O=C(CN1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1)c1ccccc1 1857653093 OLZYWVFADQKAQN-VWLOTQADSA-N 366.464 4.998 0 1 FJAF Fc1cc(Cl)ccc1CCCCN1CCn2c(nc3ccccc32)C1 2382221063 MFEXNQHSAOMLEC-UHFFFAOYSA-N 357.860 4.667 0 1 FJAF CC1(C)C[C@H](NC(=S)NCc2ccccc2)c2cc(Cl)ccc2O1 13608352 RHEPHFNLNYPAFY-INIZCTEOSA-N 360.910 4.607 0 1 FJAF CC(C)(C)c1cccc([C@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)c1 29545474 ZFXNZXKHKZUQMX-DEOSSOPVSA-N 357.453 4.976 0 1 FJAF Clc1cccc(-n2cc(-c3ccccc3NCc3ccccn3)nn2)c1 40422918 HCNFKUQQFWCLQR-UHFFFAOYSA-N 361.836 4.595 0 1 FJAF CC(=O)O[C@@H]1CC(C)=C(CCC2=CC(=O)OC2)[C@@]2(C)CCCC(C)(C)[C@H]12 96923686 OPWCWNCERZLVTP-KAGYGMCKSA-N 360.494 4.734 0 1 FJAF biogenic OC[C@@H]1CC[C@@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 143575286 NJDTZXUHOKCZAJ-IAGOWNOFSA-N 361.445 4.889 0 1 FJAF COc1cc(OC)c2c(c1)[C@@H]1CCCN1C[C@H]2c1ccc(SC)cc1 299810830 NHDJBCIYLBSYIT-OALUTQOASA-N 355.503 4.708 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(Br)cnc2[nH]1 586897166 ZNWAMMSKIJWNKE-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cccc(-c5csc(=N)[nH]5)c4)[nH]c32)n1 587022116 URUPHEIBYJDSAR-UHFFFAOYSA-N 357.442 4.623 0 1 FJAF Clc1cnc(Cl)c2[nH]c(-c3cccnc3NCc3ccccc3)nc12 587230348 SRLHTIKBVZGJFD-UHFFFAOYSA-N 370.243 4.939 0 1 FJAF CCOC1CCC2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587354167 NIKZNQLBEUATGU-LVKMRUPZSA-N 370.420 4.608 0 1 FJAF COc1cccc(C[C@@]2(C3CC3)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524754 MPGKLGSSXNYVPM-DEOSSOPVSA-N 362.469 4.931 0 1 FJAF C=Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587601735 GUOUBAZULCKBNT-NZQKXSOJSA-N 358.393 4.912 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(Cl)cs1 587611971 HXVWOECUPVFSKE-QAPCUYQASA-N 358.802 4.810 0 1 FJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1cccc(F)c1 587622282 IAWUDMDBCHVCPF-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)c(Cl)c2)N1 587697240 SCMDDELSBLFKII-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCCc3sccc32)N1 587856890 JIOHAOHCJDTOLU-QGHHPUGFSA-N 366.299 4.764 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(OC)c(OC)cc4[nH]3)c2)cc1 587934998 KIBIEKQECZYKIB-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF O=C(c1ccccc1)N(C(=S)OCCc1ccccc1)c1ccccc1 3648438 UJHINOIKABKOTJ-UHFFFAOYSA-N 361.466 4.878 0 1 FJAF CCCCCCC1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCCC 4214415 AWXVIEHRCPJZSD-UXHICEINSA-N 360.498 4.625 0 1 FJAF COc1c(C)c(OCC=C(C)C)cc(CO)c1COCCc1ccccc1 13378139 KSINIIUYJKHDNX-UHFFFAOYSA-N 370.489 4.600 0 1 FJAF biogenic CN(CC[C@@H](Oc1ccc(C(C)(C)C)cc1)c1ccccc1)CC(=O)O 29571660 ROJQXATZWQVTSU-HXUWFJFHSA-N 355.478 4.511 0 1 FJAF Nc1ccc(/C=C/c2cc(Br)c(O)c(Br)c2)cc1 58649599 AZVOHBNUGLEXNG-OWOJBTEDSA-N 369.056 4.670 0 1 FJAF in-vitro CC(C)(C)c1cc(N2C(=O)CS[C@@H]2c2c(F)cccc2Cl)no1 73159444 SLURAUHEFMDZCO-OAHLLOKOSA-N 354.834 4.543 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101151804 KQJQPAOCEGFVNJ-BWTSREIZSA-N 356.491 4.517 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CC[C@@H](CCN2CCc3ccccc3C2)CC1 102321632 ZPIPOBYWEXESSF-IRJFHVNHSA-N 358.526 4.518 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1cnc2[nH]c(Cc3ccccc3)cc2c1 299855236 ATRNLFNOFWLINC-UHFFFAOYSA-N 356.351 4.573 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4c(C(F)(F)F)cccc4[nH]3)oc12 586904623 ZRTWKGCCYCMGJK-UHFFFAOYSA-N 360.291 4.816 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3ncc(Br)c(C)c3[nH]2)n1 587079907 LTLZIJCYLOMYMT-ZETCQYMHSA-N 368.666 4.517 0 1 FJAF FC(F)(F)c1nc(Cl)[nH]c2nc(-c3c(Cl)[nH]c4ccccc34)nc1-2 587086998 GICKWBBFHDLVIS-UHFFFAOYSA-N 372.137 4.778 0 1 FJAF Cc1cc2[nH]c(CSCc3cccc(OC(F)(F)F)c3)nc2c(C)n1 587122938 OFDVEVXUWPHXPK-UHFFFAOYSA-N 367.396 4.907 0 1 FJAF COC(C)(Cc1cccc(-c2cc3c4c(cccc4n2)CC3)c1F)OC 587210043 BWDGJMPPOITJBA-UHFFFAOYSA-N 351.421 4.691 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(OC)c3o1)CC2=O 587478350 HDJWGWYAARTFQS-LJQANCHMSA-N 352.386 4.806 0 1 FJAF O=C1C[C@H](c2cc(Cl)c3c(c2)OCO3)Oc2c1ccc1c2CCCC1 587497051 DZAXKYPAXJMTIC-QGZVFWFLSA-N 356.805 4.654 0 1 FJAF C[C@@]1(c2cc(Cl)cs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587612634 KCVDHANSGFHRFX-LPHOPBHVSA-N 372.829 4.984 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccccc3n2)N1 587777205 FWPRTXNMMAADIK-NSPYISDASA-N 371.253 4.760 0 1 FJAF CC[C@@H](C)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 587956779 WFGVMRJSXGEGRF-LLVKDONJSA-N 363.870 4.531 0 1 FJAF CC[P@](=O)(OC)c1ccc2nc(-c3cccc(OC(F)F)c3)oc2c1 2382253104 UGAHEHWDWCWEAW-VWLOTQADSA-N 367.288 4.666 0 1 FJAF CCCCC(=O)CCCCCC[C@@H]1Cc2cc(OC)cc(O)c2C(=O)O1 13460266 BLTFKHOIKPIAEJ-QGZVFWFLSA-N 362.466 4.582 0 1 FJAF biogenic COC(=O)C[C@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685716 GSTUITBFYBSFBA-HNNXBMFYSA-N 352.430 4.653 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@H]2C1 29127751 JLDPRWUTMGAVLL-RSXGOPAZSA-N 372.556 4.860 0 1 FJAF CSc1nc(/C=C/c2ccc(O)cc2)cc(/C=C/c2ccc(O)cc2)n1 84690442 GUGHMNWSUPAKFR-CPJVMOPCSA-N 362.454 4.951 0 1 FJAF O=C1NC[C@@H](c2ccc(C3CCCCC3)cc2)N1c1ccc2[nH]cnc2c1 116195099 JNLGPDKBXLBBQW-NRFANRHFSA-N 360.461 4.882 0 1 FJAF Oc1c(Br)cc(CCc2cccc(F)c2)cc1Br 139447187 WSOJHSBJGKQUAG-UHFFFAOYSA-N 374.047 4.842 0 1 FJAF CO[C@H]1C[C@@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169298486 BLHLYSLDSMMWFB-KNOXWWKRSA-N 371.908 4.696 0 1 FJAF CC(=O)N[C@H]1CC[C@H](CCN2CCC(c3coc4ccccc34)CC2)CC1 169711102 XJWCUVSKMVQPGX-PUZFROQSSA-N 368.521 4.697 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(C(=O)O)CCC4)cc3)cc12 216017775 CASXHFATMZTKQM-UHFFFAOYSA-N 369.804 4.693 0 1 FJAF Oc1cccc(CCCCc2nc3cc(Br)c(F)cc3[nH]2)c1 586896049 HOVVRFYZYFPTRQ-UHFFFAOYSA-N 363.230 4.736 0 1 FJAF CC(=O)c1ccc2nc(-c3cccc(-n4nc(C)c(Cl)c4C)c3)[nH]c2c1 587064777 GQCDGVYNWMGAFM-UHFFFAOYSA-N 364.836 4.888 0 1 FJAF Cc1cc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2cc1Cl 587074074 QPPWHVTZUSMDCK-UHFFFAOYSA-N 372.259 4.793 0 1 FJAF FC(F)(c1ccccn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587090637 UJQCMMWDNWLWRP-UHFFFAOYSA-N 351.356 4.677 0 1 FJAF Fc1cc(Br)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587161230 NMCXJDQNZWIOLC-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CC/C(C)=C(/N)C[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587339357 SXJDYZCSKYJUEI-YRCQMPRJSA-N 369.436 4.682 0 1 FJAF CC1CCC(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)CC1 587513351 JHMYKUCAYSBGHQ-UHFFFAOYSA-N 367.533 4.944 0 1 FJAF CCCCSc1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587530778 DWOIMHQSVQUFOM-IBGZPJMESA-N 368.502 4.954 0 1 FJAF O=C1C[C@](c2ccccc2)(c2nccs2)Oc2c1ccc1c2CCCC1 587534548 CHZFGPPXPIUCEK-QFIPXVFZSA-N 361.466 4.931 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]12CCCc1ccccc12 587601972 GLIZDXSAZRPALQ-NFBKMPQASA-N 358.393 4.586 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3cc(F)ccc3F)c2c1 587642819 QNBSIAFOYHKKMG-NSHDSACASA-N 371.383 4.977 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc(Cl)c2)N1 587704455 UMTCCQIDMMIOQH-FVMDXXJSSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCC(F)(F)F)N1 587709744 NUNMYIXXDKIREF-GZMMTYOYSA-N 354.185 4.896 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2F)N1 587725901 SSKJFJKUVLLXSR-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccccc23)N1 587755622 IDYDDHGCVGWFSO-JEOXALJRSA-N 373.269 4.704 0 1 FJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587788013 YWPDOPVFVVCWAZ-NEPJUHHUSA-N 361.228 4.813 0 1 FJAF Cc1cccc(OC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587803915 YHGGLEXTCIPAPF-XIKOKIGWSA-N 364.258 4.551 0 1 FJAF CCCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587825549 APGWJYBCYHMTQD-BTDLBPIBSA-N 352.247 4.757 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@H]2[C@@H]1c1ccc(F)cc1 653887490 GLOJXKHRBBEESB-AKIFATBCSA-N 358.416 4.966 0 1 FJAF c1cncc(CN2CCc3sccc3[C@H]2c2cc3ccccc3cn2)c1 963013085 QIEOVXKAAPFPPY-QFIPXVFZSA-N 357.482 4.839 0 1 FJAF CC[C@@H]1c2c(C3=CCNCC3)[nH]c3nccc(c23)-c2cc(F)ccc2N1C 1772628276 WWCGHYOUUXBXGW-QGZVFWFLSA-N 362.452 4.647 0 1 FJAF Cc1nc(SCc2nc3cccc(O)c3[nH]2)c2oc3ccccc3c2n1 36380918 UIUMMILUQNSYMU-UHFFFAOYSA-N 362.414 4.559 0 3 FJAF CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@H](c2ccccc2)[C@H]1O 13672948 UOLPWQTZNSRMCK-BHDDXSALSA-N 372.530 4.553 0 1 FJAF N=C(N)c1ccc2nc(-c3cc(Cl)cc(-c4ccccc4)c3O)[nH]c2c1 13863699 RUJOXQDERXMGDN-UHFFFAOYSA-N 362.820 4.540 0 1 FJAF C[C@]12CC=C3[C@H](CCC4=CC(=O)CC[C@@]43CCSC#N)[C@H]1CCC2=O 14947093 RCUYUXXIFXLVMF-SGLNWRHMSA-N 355.503 4.592 0 1 FJAF CCC[C@]1(c2ccccc2)CC(=O)[C@H](SCCc2ccccc2)C(=O)O1 17859210 HCFFAIZSNVOHSY-RBBKRZOGSA-N 368.498 4.543 0 1 FJAF CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)c1cc(C)ccn1 29063216 BLDQXLMFISDTGV-LJQANCHMSA-N 367.320 4.685 0 1 FJAF CN(C)[C@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)n2)c2ccccc12 29343543 HAUBUNNZVAGIGM-UNMCSNQZSA-N 361.489 4.736 0 1 FJAF Cc1ccc(C(=O)N(C)CCCNc2ccnc3cc(Cl)ccc23)cc1 35190708 ZWIXPLUMOXKSII-UHFFFAOYSA-N 367.880 4.771 0 1 FJAF CCC(=O)[C@H]1[C@@H]2CC[C@@H](C[C@H]1c1ccc3c(CC)c(OC)ccc3c1)N2C 100882982 AEOXYMZMDLKZPQ-COFNMNJVSA-N 365.517 4.956 0 1 FJAF CC1(C)c2nnsc2[C@H](c2ccc(F)cc2)N[C@@H]1c1ccc(F)cc1 103277124 QXMYGAOEVFPWOJ-DOTOQJQBSA-N 357.429 4.528 0 1 FJAF Cc1cccc(C#CC=C2CCN(C(=O)N(C)[C@@H](C)c3ccccc3)CC2)n1 140322906 FRFZTKDETHKTJK-FQEVSTJZSA-N 373.500 4.577 0 1 FJAF COC(=O)/C(=C/c1ccc(Cl)cc1)CSc1nc2ccccc2o1 169308069 ODCLLYVYVIOWPC-JLHYYAGUSA-N 359.834 4.830 0 1 FJAF COc1cc(/C=C/c2ccccc2O)c(Cc2ccc(O)cc2)c(OC)c1 205486456 VCFDJUNAKPBGRG-MDZDMXLPSA-N 362.425 4.876 0 1 FJAF Oc1ccc(-c2ccccc2-c2nc3c(Br)ccnc3[nH]2)cc1 586899506 ZGWCUARSSJMJEA-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF Cc1c(Br)cc2nc([C@@H]3C[C@H](O)c4ccccc43)[nH]c2c1C 586904302 SYAHASCTQDRBLF-CJNGLKHVSA-N 357.251 4.511 0 1 FJAF CCCCOc1cc2nc([C@@H]3C[C@@H](C)CCO3)[nH]c2cc1Br 586916644 BPSHQMCJVKZYHM-ZBEGNZNMSA-N 367.287 4.992 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cnn(-c4ccc(Cl)cc4)c3C)nc12 587076261 SVJIKJSCCFQZKK-UHFFFAOYSA-N 358.232 4.734 0 1 FJAF CN(C)[C@H](c1ccc(F)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587163188 IBTCPQCRXPYDCQ-OAQYLSRUSA-N 373.431 4.584 0 1 FJAF Fc1ccc(-n2nnc(-c3nc4ccc5c(c4[nH]3)CCCC5)c2C2CC2)cc1 587169251 ZGOKACDNPJPTOC-UHFFFAOYSA-N 373.435 4.706 0 1 FJAF C[C@]1(c2cccc(F)c2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587332145 JEJXKUXWODGMTG-RBBKRZOGSA-N 366.363 4.945 0 1 FJAF Cc1cccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587341523 XBGKJECBXUEYQJ-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](C)[C@H](O)C3)c1 587365020 CHZVHWBHVYBQDA-BFUOFWGJSA-N 359.425 4.752 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCCc1cccc(C(F)(F)F)c1)O2 587382102 NTAWSZKOZZGWNY-OAHLLOKOSA-N 363.379 4.953 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(C)c(C)c1)(c1ccco1)[C@@H](C2)C3=O 587456648 WSBRVDQEVRPOSR-FDDCHVKYSA-N 360.409 4.596 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(Cl)nc31)CC2=O 587460247 HMPRTTRGILYNJJ-FQEVSTJZSA-N 357.837 4.590 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)nc1C1CCCCC1)CC2=O 587476245 QUYNJEOJFJXXGO-HXUWFJFHSA-N 368.477 4.832 0 1 FJAF Cc1ccc2c(c1C)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816602 AZJVPXBYQHIBCR-YUNKPMOVSA-N 374.297 4.929 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)cc1O 587822757 QVWWNNLDQCCYKL-BBATYDOGSA-N 364.258 4.534 0 1 FJAF CC(C)[C@@H]1C[C@@H]([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)CCO1 587832252 JDRMUQFAMGGLSK-YMXNGHFFSA-N 370.306 4.615 0 1 FJAF COc1ccc(C2(c3nc4cccc(C(=O)O)c4[nH]3)CC3(CCC3)C2)cc1 587934478 ARHMFSARFGQKCE-UHFFFAOYSA-N 362.429 4.520 0 1 FJAF COc1ccc(C2(c3nc4ccc(C(=O)O)cc4[nH]3)CC3(CCC3)C2)cc1 587934557 CSUFYXDQLXPSSV-UHFFFAOYSA-N 362.429 4.520 0 1 FJAF O=C(CCc1ccccc1)c1nc2c(Br)cc(Cl)cc2[nH]1 587953389 JPJAWOBWIXXPTF-UHFFFAOYSA-N 363.642 4.794 0 1 FJAF COc1cc(C)cc(OC)c1[C@@H]1NCCc2c(Cl)cc(Cl)cc21 963103789 GPHBAYAGSXYTRX-GOSISDBHSA-N 352.261 4.554 0 1 FJAF Cc1cc(-c2ccc3ncc4nnn([C@H](C)c5ccccc5)c4c3c2)ccn1 1772616719 IJELDUSMVKXTCW-MRXNPFEDSA-N 365.440 4.959 0 1 FJAF NC[C@H](Oc1noc2ccc(-c3ccccc3Cl)nc12)c1ccccc1 1857584828 XWGVTWYENODUFY-SFHVURJKSA-N 365.820 4.622 0 1 FJAF COC(=O)[C@H](C)c1ccc(-c2ccc(NCc3ccccn3)cc2)c(F)c1 1911585131 KWJRMBDHBSILGQ-OAHLLOKOSA-N 364.420 4.776 0 1 FJAF CC(C)c1ccc(O[C@@](C)(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1 13604892 HEVOMWVRCBZWPW-IBGZPJMESA-N 356.857 4.513 0 1 FJAF COc1cccc(C(=O)Nc2nc(-c3ccccn3)cc3ccccc23)c1 13781356 JLPKBIXXUUALFJ-UHFFFAOYSA-N 355.397 4.558 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386027 MLZFGDUUCSXZHX-KCBQLBBQSA-N 371.565 4.857 0 1 FJAF CNCC[C@@H](c1cccc(F)c1)N1C(=O)C2(CCCCC2)c2ccccc21 34986250 DWTJKIXZDHRVPT-FQEVSTJZSA-N 366.480 4.725 0 1 FJAF c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1 35906978 DWKOHZOFAQOTJK-SFHVURJKSA-N 370.456 4.883 0 1 FJAF COc1ccc(C(=O)c2ccc(CN(C)Cc3ccccc3)cc2)cc1F 40897731 SZSKZDFELQPJIB-UHFFFAOYSA-N 363.432 4.697 0 1 FJAF CCCOc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(-c2ccccc2)cc1 64549010 NXMRHJPFUXOIOP-UHFFFAOYSA-N 371.436 4.872 0 1 FJAF CCCCOc1cc(NC(=O)NC[C@H](C)c2ccccc2)ccc1OC 95563434 OHUCTSMSYUYLJF-INIZCTEOSA-N 356.466 4.799 0 1 FJAF O=C(O)c1cc(C2CC2)ccc1Cc1cnc(-c2ccccc2Cl)nc1 96173373 QATGCLOPOBOZMT-UHFFFAOYSA-N 364.832 4.963 0 1 FJAF COc1ccc(-c2nc(Nc3cccc(O)c3)c3ccccc3n2)cc1OC 103256176 AJAJIMATEVMQTD-UHFFFAOYSA-N 373.412 4.763 0 1 FJAF CC(C)[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105482416 FYPLYVPUIGBRQE-MBOZVWFJSA-N 358.441 4.584 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 586894671 AVFNGIXJMAPERJ-UHFFFAOYSA-N 369.346 4.803 0 1 FJAF CC(C)c1cc(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)c(O)c(C(C)C)c1 586896586 OPBDODMMHKQKGQ-UHFFFAOYSA-N 365.477 4.884 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@@H](c1cccnc1)CC3 586988647 UMXVBBVUSQVUML-CQSZACIVSA-N 364.404 4.625 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4ccncc34)nc3ccc(O)c1c23 586990184 VZLOEJPVEXNVSV-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF N[C@@H](Cc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccccc1Cl 587057620 QBZATMSSPNRKGZ-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF Cc1cc(Cl)cc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587078759 AYWQCSVMNPOYAR-CQSZACIVSA-N 359.260 4.902 0 1 FJAF COc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(Cl)n1 587083724 ICFHOHKQGKKLMS-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF COc1cc2nc([C@H](C)c3ccccc3C(F)(F)F)[nH]c2cc1OC 587098676 RURFHXJIPJVAJF-SNVBAGLBSA-N 350.340 4.751 0 1 FJAF CCCCOC(=O)Cc1c(C)nc2cccc3c2c1-c1ccccc1C3=O 587107218 QVCWURXSUAWYCY-UHFFFAOYSA-N 359.425 4.640 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4nc(Cl)c[nH]c-4n3)ccc2F)cc1 587139804 XTRXJRKRXPWXTE-UHFFFAOYSA-N 366.783 4.634 0 1 FJAF COCC[C@@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344553 DCNBDWXWULVEFF-DENIHFKCSA-N 372.436 4.712 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c(N)c(C(F)(F)F)c1)O2 587380363 DLRWPHLHTHHGBM-AWEZNQCLSA-N 370.758 4.538 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc(Cl)c(Cl)cc1F)[C@@H](C2)C3=O 587422554 FGBWLEFBKSESGY-BBATYDOGSA-N 367.203 4.804 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(N)cc1)(C1CCC1)CC2=O 587468210 BXSYJHIWEZDCEU-JOCHJYFZSA-N 351.446 4.588 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3cc(OC)ccc31)CC2=O 587485054 YENFJSIMCCHZNZ-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(CN3CCCC3)cs1)CC2=O 587492301 BTRCWPRILRAJPA-IBGZPJMESA-N 371.502 4.709 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(-c3cc[nH]n3)s1)CC2=O 587495843 UZUZXAXKCDGTIG-INIZCTEOSA-N 354.431 4.503 0 1 FJAF COc1ccc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524778 MWPGXHKLLMRPTG-QHCPKHFHSA-N 350.458 4.931 0 1 FJAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2ccc(F)c(Cl)c12 587629617 FFTMPTPZHBHRDM-UHFFFAOYSA-N 372.705 4.828 0 1 FJAF COc1ccc(C)cc1-n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587660618 QRCLPQLDHWEWSF-UHFFFAOYSA-N 360.388 4.509 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccccc2Cl)N1 587697319 OODJXMXCPKNDTG-ABKXIKBNSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3cc[nH]c23)N1 587802303 KXDLFQWGNWNAQL-JEOXALJRSA-N 373.269 4.867 0 1 FJAF Cc1ccsc1[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587846131 TZWYGJGNFZXOEN-QFYYESIMSA-N 354.288 4.756 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cscc2Cl)N1 587852432 GQSDYWVXDBAUMK-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cscc2Cl)N1 587853892 OKTZHRKBXYRLES-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1oc2ccccc2c1C 587871599 KUJDNDXVCLQHPE-UHFFFAOYSA-N 364.376 4.831 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 587952581 UCOGKUKROSJDQT-UNXYVOJBSA-N 357.281 4.947 0 1 FJAF CN(C)CCOc1ccc2nc(Cc3ccccc3-c3ccccc3)[nH]c2c1 587958513 GPHWMLCWGYUXMG-UHFFFAOYSA-N 371.484 4.761 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)CC[C@@]12NCCc1cc(C)c(F)cc12 962300200 PKDAWEZURJPBIA-NRJQMVOHSA-N 361.501 4.501 0 1 FJAF O=C1[C@@H]2C=CC=C[C@H]2[C@H](c2ccc(Cl)cc2)N1c1ccc2nc[nH]c2c1 1772645423 CSFKVIAKLNZNPY-HLIPFELVSA-N 361.832 4.663 0 1 FJAF COc1ccccc1/C=C/c1nc2ccccc2c(=Nc2cccc(O)c2)[nH]1 1857560199 RZUKIYXFTANWJA-BUHFOSPRSA-N 369.424 4.680 0 1 FJAF COc1ccc(-c2cc(Cn3cc(-c4cc(C)c(C)cc4C)nn3)on2)cc1 1857650392 MIKDCRAFTRAWLE-UHFFFAOYSA-N 374.444 4.582 0 1 FJAF N#CN1CC(OCc2ccc(-c3cccc(OCc4ccccc4)c3)cc2)C1 1911570718 SOTOBSKFTYOGRP-UHFFFAOYSA-N 370.452 4.614 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc(C(F)(F)F)o3)nc2c1 1911573597 VQJOQADMRZNVCQ-DEOSSOPVSA-N 359.240 4.676 0 1 FJAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)Cc3ccccc3)=C[C@H]21 2356538335 AXHPCMJFAOEIJI-DKOYFPBOSA-N 356.506 4.542 0 1 FJAF Cc1cccc(C(=O)Nc2ccc(-c3c(C)sc4ncnc(N)c34)cc2)c1 13673579 VCLBAQNLICMTAB-UHFFFAOYSA-N 374.469 4.810 0 1 FJAF Cc1nc2c(OCc3c(F)cccc3Cl)cccn2c1Br 13778250 SADMCSFCVPABSP-UHFFFAOYSA-N 369.621 4.777 0 1 FJAF Cc1cnc(C)c(-c2cccc(-c3ccn(CCCc4cccnc4)n3)c2)n1 23232405 XWFVEMHIDLAIBB-UHFFFAOYSA-N 369.472 4.652 0 1 FJAF C[C@@H]1[C@H]2Cc3c(O)cccc3[C@@]1(C)CCN2C[C@@H](C)OCc1ccccc1 100919923 CUHNXKIICYLWNY-VQWXRNEISA-N 365.517 4.522 0 1 FJAF Cc1c(-c2ccccc2)nn(-c2nc(C(=O)O)cs2)c1-c1ccsc1 103249842 IOSRFPHZQDPBMH-UHFFFAOYSA-N 367.455 4.731 0 1 FJAF Cc1c[nH]c2ncc(-c3cc([C@H]4CCOC4)n([C@@H]4CCC(F)(F)C4)n3)cc12 146406626 CWXBQQXGEWNTLL-DZGCQCFKSA-N 372.419 4.599 0 1 FJAF Cc1ccc(-c2cc([C@H](O)C[C@@H]3CCCCN3)c3cc(F)ccc3n2)cc1 169334815 JOQWCIZAXJWNHJ-FDDCHVKYSA-N 364.464 4.915 0 1 FJAF CCOC(=O)c1cccnc1-c1cc(-c2ccco2)cc(-c2ccccn2)n1 238809421 SIVHPTJFTUCODO-UHFFFAOYSA-N 371.396 4.642 0 1 FJAF Cc1cc(-c2nc3c(Cl)cncc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586879206 LXVOAZXZTUPXBD-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)cc(F)c3[nH]2)cc1 586887114 HFBFIAHBOSGLOA-QLJPJBMISA-N 363.230 4.610 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 586918716 ZVIUZQLUSBOMAX-FDDCHVKYSA-N 360.457 4.658 0 1 FJAF Cc1cc(Br)cc2nc(C[C@@H](N)c3ccccc3Cl)[nH]c12 587058840 ZWCCSBPGIZZVDM-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Clc1cccc(-n2nc(-c3nc4cnccc4[nH]3)cc2-c2ccco2)c1 587068302 POEATUKORIGYGR-UHFFFAOYSA-N 361.792 4.724 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@H]([C@@H]1CCOC1)CC4)-c1ccccc1C2=O 587102242 UHUFFBYJFGETON-HZPDHXFCSA-N 369.464 4.896 0 1 FJAF CCCc1nc(-c2nc3c(C)c(Cl)ccc3[nH]2)nn1-c1ccccc1F 587157211 YAMBGNJQYDQAFQ-UHFFFAOYSA-N 369.831 4.864 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc(Br)c1C)O2 587377704 OZJIAUGLDJWCSP-AWEZNQCLSA-N 374.278 4.615 0 1 FJAF O=C1C[C@H](c2[nH]c3nccc-3c(Cl)c2F)Oc2c1ccc1c2CCCC1 587502981 JRAJFJPBSWTRTB-OAHLLOKOSA-N 370.811 4.892 0 1 FJAF COc1c(F)cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587506552 OBKVSMJAQQLSLA-NRFANRHFSA-N 358.384 4.733 0 1 FJAF Cc1ccc2nc(O)c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587524871 KVQKMCTXKLXMAU-NRFANRHFSA-N 359.425 4.834 0 1 FJAF Cc1c(-c2cc(Cl)cc(Cl)c2O)[nH]c2ccc(S(C)(=O)=O)cc12 587649272 OSAQSCBJYNPVPQ-UHFFFAOYSA-N 370.257 4.559 0 1 FJAF CC(C)n1cccc1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758838 YJMYZLVNVGJKAJ-PIGZYNQJSA-N 351.263 4.594 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2=Cc3ccccc3OC2)N1 587834636 LUTHHFKKJCENCV-WYRIXSBYSA-N 374.253 4.640 0 1 FJAF COc1ccc([C@@H](O)[C@@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587936445 LKWUSMOFSQCNOC-ABKXIKBNSA-N 351.233 4.715 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(C)c(Cl)cc4[nH]1)(C3)C2 587951172 XGAVXOGVLAIETO-LWYUSKRHSA-N 358.869 4.678 0 1 FJAF CC[C@@H]1C(C)=CC[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@](C)(C(=O)O)CCC[C@@]12C 2356648731 OGFGWQYOWINDKL-NMNSOMAVSA-N 362.510 4.828 0 1 FJAF COc1ccc(-c2cscc2-c2cc(OC)c(OC)c(OC)c2)cn1 5854418 STXAIDLWUABOLZ-UHFFFAOYSA-N 357.431 4.512 0 1 FJAF c1ccc(COc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 13559967 IFBAGWIMPPBASO-UHFFFAOYSA-N 352.397 4.524 0 1 FJAF CCCc1cc(=O)oc2c3c(c(C(=O)CC(C)C)c(O)c12)OC(C)(C)C=C3 14448021 HFAAKRPQEQUFBI-UHFFFAOYSA-N 370.445 4.864 0 1 FJAF biogenic CC(C)CC(=O)[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]21C 26386038 RDPJISLOFXUIDK-BUPHJVBDSA-N 357.538 4.515 0 1 FJAF Cc1cnc(NC(=O)C2=C(O)c3cc(Cl)ccc3S[C@@H]2C)s1 28088740 APXUYZGOIRGANY-MRVPVSSYSA-N 352.868 4.507 0 1 FJAF COP(=O)(CC[C@@H](O)[C@H]1[C@H]2CC[C@@H]3[C@H]2C(C)(C)CCC[C@]13C)OC 28645644 MFZWGSSBRLDFPC-BIHUAPLPSA-N 358.459 4.712 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccccc1)c1cccs1)C2 28825438 FMMKJMIJNXFPMS-JWTNVVGKSA-N 356.491 4.517 0 1 FJAF Cc1ccc([C@@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C(N)=S)cc1 53296778 HYKGIFCAVSPOCM-INIZCTEOSA-N 364.301 4.697 0 1 FJAF COc1ccc2cc([C@@H](C)C(=O)Oc3ccc(C)cc3OC)ccc2c1 60538961 DIZKXVFITHORMP-OAHLLOKOSA-N 350.414 4.875 0 1 FJAF CCS[C@@H](CC(=O)c1ccc(OCCN(C)C)cc1)c1ccccc1 72113866 LNJOWEXDGRZDIS-NRFANRHFSA-N 357.519 4.694 0 1 FJAF CC(C)C[C@H](O)c1nnc(Nc2ccc(OCc3ccccc3)cc2)s1 82078213 BKMQIJZVUQPHAO-SFHVURJKSA-N 369.490 4.940 0 1 FJAF CCN(c1ccc(C(=O)O)cn1)c1cc(OCC(C)C)c(C(C)C)cc1N 84669964 LDPBUJYOAAWDJH-UHFFFAOYSA-N 371.481 4.678 0 1 FJAF C=Cc1cccc(-c2cc3c(cc2C(=O)O)OCO3)c1N(C)CCCC 96909163 OOPBRJXLLSPTBO-UHFFFAOYSA-N 353.418 4.660 0 1 FJAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=C(C(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C 253638195 OYVGUGDAAZPUSG-GVQGKPHESA-N 360.538 4.895 0 1 FJAF CC(C)c1cc(-c2nc3ccc([C@@H](N)N=O)cc3[nH]2)c(O)c(C(C)C)c1 586896155 IKMUOKXDPITJMA-IBGZPJMESA-N 352.438 4.906 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 586915591 GBWONDOPRMSPDJ-BUXKBTBVSA-N 358.800 4.572 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(cnc4ccccc43)[nH]2)s1 587022973 HCMVCYFVPATMPZ-UHFFFAOYSA-N 367.434 4.582 0 1 FJAF CC(C)(C)OC(=O)N1CCc2scc(-c3nc4ccccc4[nH]3)c2C1 587034004 LHPKICJXWVXHTH-UHFFFAOYSA-N 355.463 4.585 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc([C@H](N)N=O)ccc2[nH]1 587067157 WDDJYRDKHOQPCD-GOSISDBHSA-N 365.824 4.706 0 1 FJAF Cc1c(Cl)ccc2nc([C@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587080918 VKBTWTFFHIUDSL-CQSZACIVSA-N 359.260 4.902 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(F)cc(Br)cc3[nH]2)n1 587081368 ZUGXYIIGWYDAEC-SSDOTTSWSA-N 371.641 4.952 0 1 FJAF Cc1c[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346915 NZSLEECZXKENKS-RBBKRZOGSA-N 365.404 4.751 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)ccc1OCC(C)C)O2 587377438 IJWMMRJJSQTRAZ-IBGZPJMESA-N 359.853 4.972 0 1 FJAF Cc1cc(C)c(-n2ccc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)c(C)c1 587389415 IBEUSQXOKBNIKB-OAQYLSRUSA-N 360.457 5.000 0 1 FJAF COc1ccc(-c2ccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cc2)cc1 587404397 XNORBXSCRBRJBP-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C)ccc1OC(F)F)CC2=O 587465573 IKBHDSQHORBOEG-SFHVURJKSA-N 362.372 4.961 0 1 FJAF Cc1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587587498 GTAKJYFZSCKJBC-OFNKIYASSA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cccnc12 587587785 PUOITZAOJJNKQJ-WMZHIEFXSA-N 369.376 4.643 0 1 FJAF CC(C)CC[C@@]1(C2CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602029 IDQLHYRFGUGURY-UGKGYDQZSA-N 352.430 4.939 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604467 UEYVBFIHXIZSNC-QVJSAIJNSA-N 372.420 4.832 0 1 FJAF CCCc1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611830 KCBKYFUNTFVEPM-FXAWDEMLSA-N 367.426 4.504 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587748326 WFXKYCJKBJHJDI-VOJFVSQTSA-N 359.242 4.937 0 1 FJAF O=C(Cc1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)OCc1ccccc1 587781046 CCPZBRZNXDDNCJ-UHFFFAOYSA-N 368.742 4.521 0 1 FJAF COc1cc(C)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587810862 YECDCLWABCAMOA-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF Nc1cc(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)on1 653823195 YLMKJWXHWSCGQF-UHFFFAOYSA-N 362.311 4.587 0 1 FJAF C[C@H]1C[C@@H](C)C[C@H]([C@@]2(C)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)C1 962974967 LYGAGBWSFKSJIZ-MKVOSYPRSA-N 371.855 4.505 0 1 FJAF O=C(O)Cc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1 1772638946 MLJIRBSAUFKNFC-UHFFFAOYSA-N 373.334 4.533 0 1 FJAF Cc1cc(-c2c(NC(=O)CCC3CCCC3)nn3cccnc23)ccc1F 1857536116 VAIZIEAOVKTQON-UHFFFAOYSA-N 366.440 4.753 0 1 FJAF CC1=C[C@@H]2CC[C@@H]3[C@@](C)(COC(=O)CC(=O)O)CCC[C@]3(C)[C@@]23CC[C@H]1C3 2356733986 ISUWFQVXZCXIRR-OSGZKVPJSA-N 374.521 4.973 0 1 FJAF C[C@]12CC[C@@H]3[C@@](C)(C(=O)O)CCC[C@]3(C)[C@@H]1CC[C@](C)(C(O)=CO)O2 2356764692 DEWLHZQVWXKVNO-XALOUDCRSA-N 352.471 4.579 0 1 FJAF CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)c(C)c1)C[C@@H](C)CC3 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KHTVNNVQXQANOB-QHCPKHFHSA-N 363.457 4.795 0 1 FJAF O=C1C[C@](C[C@@H]2CCOC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587536451 TXQNGBMNKFTCAJ-BXKMTCNYSA-N 362.469 4.853 0 1 FJAF O=C1C[C@@H](c2c(Cl)nc3sccn23)Oc2c1ccc1c2CCCC1 587537523 GZWRGHRHQIBQJG-AWEZNQCLSA-N 358.850 4.635 0 1 FJAF Cc1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c2c1 587589150 NUECNPQXJFVIEX-NZQKXSOJSA-N 371.392 4.885 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1ccccc12 587601976 GLIZDXSAZRPALQ-OFNKIYASSA-N 358.393 4.586 0 1 FJAF CC[C@]12CC[C@H](C[C@@]13Oc1ccccc1C(=O)[C@H]3C(=O)c1ccco1)C2 587604294 SEKDQXSGPTUCKT-DNEUNLEDSA-N 350.414 4.693 0 1 FJAF CC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587608322 KAGUZPWAEYAXOO-OFNKIYASSA-N 372.376 4.546 0 1 FJAF O=C(O)c1[nH]c2cc(Cl)c(F)cc2c1-c1cnn(-c2ccccc2)c1 587631921 MGECWGKRODBLNI-UHFFFAOYSA-N 355.756 4.511 0 1 FJAF Cc1ccc(F)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587713134 BGMMWTXAYIQESC-XYZCENFISA-N 370.212 4.798 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2ccccc2)(C2CC2)N1 587815448 NARVBDREJYKCJP-BLVKFPJESA-N 360.270 4.776 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@H]23)N1 587826149 GUUYRMUEBUAKIM-BYLHROLMSA-N 364.302 4.774 0 1 FJAF COc1cc(C(C)=O)c(OC)n1CC[C@H](c1ccc(F)cc1)c1ccco1 587945122 JOUUHEZWCDASCU-QGZVFWFLSA-N 371.408 4.662 0 1 FJAF Cc1c(F)ccc2c1[C@](c1ccc(F)cc1)(c1cccc(F)c1)NCC2 962093802 RGHFKJMVKVTMRL-QFIPXVFZSA-N 353.387 4.850 0 1 FJAF Cn1c(Cl)nc(Cl)c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962656287 AGZWFIJOFXDDHX-INIZCTEOSA-N 358.272 4.629 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(OC)c(NC(C)=O)c1 963235061 FOBZWXIEKCDHLB-QMHKHESXSA-N 366.505 4.574 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@@H](F)c2ccccc2F)CC1 1857543218 HVODMMOXSRCMCA-OAQYLSRUSA-N 372.459 4.744 0 1 FJAF CC(C)CN1CCc2c(ccc3[nH]ccc23)[C@H]1c1ccc(/C=C/C(=O)O)cc1 1857552682 HRLHOAPGBLHTAI-VDOFPXJZSA-N 374.484 4.869 0 1 FJAF FC(F)(F)c1cc(Nc2ncccn2)c2cccc(C(F)(F)F)c2n1 1857577166 UHGVYJIBGIVIKA-UHFFFAOYSA-N 358.245 4.806 0 1 FJAF Nc1ccccc1NC(=O)c1ccc(CSc2cccc(F)c2)cc1 1857620565 NNZVJXOPRODWKA-UHFFFAOYSA-N 352.434 4.953 0 1 FJAF COC(=O)CCNC(=O)[C@H]1CC=C(CCC=C(C)C)C[C@@H]1c1ccccc1 1911577276 UMOKNTQMINGARC-LEWJYISDSA-N 369.505 4.532 0 1 FJAF O[C@@H](c1ccc(Cl)c(F)c1)c1ncc(-c2ccccc2C(F)(F)F)[nH]1 61905555 CRHCYSNECZKFHO-HNNXBMFYSA-N 370.733 4.970 0 3 FJAF CC[C@H](C)NCc1c(C(=O)O)n(Cc2ccccc2F)c2cc(C)ccc12 6901254 RYTGQDKNRCXUBY-HNNXBMFYSA-N 368.452 4.723 0 1 FJAF Cc1ccc(NC(=S)N2CCC(c3cccc(Br)c3)=N2)cc1 40918622 PQTVCTPTUWXZBX-UHFFFAOYSA-N 374.307 4.564 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccccc3)c2O[C@@H]1C(F)(F)F 64559052 UROLELMVGKTSPJ-HNNXBMFYSA-N 354.711 4.798 0 1 FJAF O=C(Nc1ccccc1)Nc1ccc(NCc2cccc(C(=O)O)c2)cc1 71294907 QXRHTPPTAUCSMP-UHFFFAOYSA-N 361.401 4.641 0 1 FJAF CCCc1nc2c(NCc3ccccc3C)ncnc2n1C[C@H](C)CC 82180486 ZKWBDHOFHYKOCM-OAHLLOKOSA-N 351.498 4.745 0 1 FJAF CCCCCn1c(-c2ccoc2)nc2c(NCc3cccs3)ncnc21 82190292 HEVQWJJJUMUWGN-UHFFFAOYSA-N 367.478 4.950 0 1 FJAF Cc1cccc(N2C(=O)CS[C@H]2c2cc3ccccc3nc2S)c1 103196399 UCLVADYXNABGNX-IBGZPJMESA-N 352.484 4.611 0 1 FJAF CN(C(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C)c1ccccc1 169316023 QBSLGQKCSOHHBR-JSXRDJHFSA-N 368.908 4.569 0 1 FJAF O=Nc1c([C@H]2C(=O)Nc3ccc(OC(F)(F)F)cc32)[nH]c2ccccc12 169723272 XULONIVOENCMLI-ZDUSSCGKSA-N 361.279 4.548 0 1 FJAF CC(C)(CO)c1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1F 205355025 AVSRVMKWMOGUGW-UHFFFAOYSA-N 361.800 4.596 0 1 FJAF c1ccc(-c2csc(=Nc3cccc(-c4nc5ccccc5[nH]4)c3)[nH]2)nc1 587022064 UWHBFOKIDCCLJY-UHFFFAOYSA-N 369.453 4.914 0 1 FJAF COc1ccc2nc(-c3nc4cc(Br)ccc4[nH]3)sc2c1 587035463 QLUZIWLPQCGDFN-UHFFFAOYSA-N 360.236 4.611 0 1 FJAF CCn1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c(C)n1 587103923 CEGSBOWDRRZHQT-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF Cc1cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c2cc1Br 587175558 VNCAWEMKWTWKBD-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF Cc1ccc2nc([C@@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1C 587222088 XTSAMIMLOLRCGO-NRFANRHFSA-N 355.441 4.699 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1csc(-c4ccccc4C)n1)[C@@H](C2)C3=O 587449027 DBBAFJYKIIQCGS-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3nccc-3c(Cl)c1F)CC2=O 587466821 MWCWRCGGBILYNA-CQSZACIVSA-N 374.799 4.672 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(Cl)cc1F)CC2=O 587467308 SCJJHFZCULNGKT-QGZVFWFLSA-N 352.764 4.983 0 1 FJAF CC(=O)[C@@]1(c2cccc(Cl)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587499942 KGLQZQHORXXHKC-OAQYLSRUSA-N 354.833 4.669 0 1 FJAF Cc1nn(-c2ccccc2)cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514003 DBYYQCMTFYSRNU-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF CCC[C@@]1(c2cccnc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587774972 OZAXXCQRJTWOMJ-XIKOKIGWSA-N 363.274 4.561 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(F)cc(F)c4[nH]3)c2)cc1O 587787834 YNIZXSNGTSPTJJ-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)c1 587931232 GIBCZAQNGJIZFW-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF Cn1ccc2cc([C@H]3c4cccc(F)c4CCN3[C@H]3CCSC3)ccc21 962718970 RMHNWFOOMDGMSF-JTSKRJEESA-N 366.505 4.770 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1ccc(CSC(F)F)o1 963108742 YDHYDLGESRTXPW-GUYCJALGSA-N 353.409 4.984 0 1 FJAF Cc1ccc(C(C)C)c(OCc2nnc(S)n2Cc2ccccc2)c1 1772603048 RPLSYOXDZKOZFV-UHFFFAOYSA-N 353.491 4.626 0 1 FJAF COc1ccc(-c2cc(C)ccc2NCCCn2cnc(C)c2)cc1OC 1772607846 MQRSMPJWLBQIIV-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF CC(C)=CCc1cc(/C=C/C(=O)O)cc(C(=O)NCc2ccc(C)cc2)c1 1857566985 QLILIESGRGWCSL-ZHACJKMWSA-N 363.457 4.532 0 1 FJAF CC[C@H](C)C[C@H](c1[nH]c2ccccc2c1-c1ocnc1C(=O)O)N(C)C 2356307037 MNCZZIZVBMJVGE-SWLSCSKDSA-N 355.438 4.560 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@H]32)C1 2356708515 SCNWNOJSZNDWCA-CHVLWZAPSA-N 362.510 4.662 0 1 FJAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cccc3cccnc23)cs1 61897395 AOFGBAABQNWWLJ-JOCHJYFZSA-N 373.481 4.758 0 3 FJAF CC(=O)N[C@](C)(c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1 61906173 PJEBDTPUHJXINY-JOCHJYFZSA-N 373.481 4.758 0 3 FJAF O=C(O)Cn1c(-c2ccoc2)c(C2CCCCC2)c2ccc(C(=O)O)cc21 3612381 XLPJXANPLNBDFN-UHFFFAOYSA-N 367.401 4.732 0 1 FJAF Fc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@H]2CC1(c1ccoc1)c1ccoc1 27106546 SOGQXJZSYCVAGC-FCHUYYIVSA-N 358.392 4.724 0 1 FJAF Cc1c(-c2cccs2)nc(OC[C@H](N)C(C)C)nc1-c1cccs1 28524262 GUYBZOVEBFRZEC-ZDUSSCGKSA-N 359.520 4.604 0 1 FJAF C[C@H]1OC2(CCCC3=Cc4c(cnn4-c4ccc(F)cc4)C[C@@]32C)O[C@@H]1C 28524364 SYFXMNUNONLQRA-PZPWOCDFSA-N 368.452 4.661 0 1 FJAF Cc1c(Br)csc1C(=O)NCc1c(F)cccc1Cl 28956960 NISYHNVYBBFTIM-UHFFFAOYSA-N 362.651 4.542 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 101151946 FHNLUXLINNMPIP-IZZQQSIFSA-N 362.539 4.897 0 1 FJAF OC1(c2ccc(Cl)cc2)C[C@H]2CC[C@H](C1)N2Cc1c[nH]c2ccccc12 101185020 AXPWNFAVTPIWHV-RTBURBONSA-N 366.892 4.836 0 1 FJAF COc1ccc([C@H]2CC(c3ccc(C)cc3)=Cc3n[nH]c(O)c32)cc1OC 103182705 CNXYMVPTSUUEAO-QGZVFWFLSA-N 362.429 4.517 0 1 FJAF COc1ccc(-c2sccc2-c2cc(OC)c(OC)c(OC)c2)cc1O 137771494 KYHWIOYAQBBGOQ-UHFFFAOYSA-N 372.442 4.822 0 1 FJAF Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)O)c2)c1 145582123 LFVSNICEMAYPTN-UHFFFAOYSA-N 373.334 4.913 0 1 FJAF Fc1ccc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c1F 587017664 OKTOYVWZXPYWGM-UHFFFAOYSA-N 355.369 4.567 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cccc(C(C)(C)C)c2[nH]1 587067394 YESWGYJWGSCNBA-UHFFFAOYSA-N 372.852 4.914 0 1 FJAF COc1cc(OC)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc2c1 587074556 BFUFAEGHRLHJDW-KRWDZBQOSA-N 371.868 4.571 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2n1 587093287 LEBBMPDDDSWAAM-UHFFFAOYSA-N 366.412 4.972 0 1 FJAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2ccc3c(c2[nH]1)CCCC3 587121094 RTVJXJRLKCQICT-UHFFFAOYSA-N 374.288 4.869 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc5c(cc4[nH]3)OCCCO5)C2)c1 587131569 OHGXGJFIUQWCER-UHFFFAOYSA-N 356.372 4.606 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cnc4ccccc4c3[nH]2)c(N)cc1F 587135736 CCGBSOBOMJVRPX-UHFFFAOYSA-N 350.397 4.677 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccnc(OC)c4[nH]3)c(F)c2)c(F)c1 587153094 VZWNATGHUPYTQK-UHFFFAOYSA-N 367.355 4.587 0 1 FJAF COc1nccc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587163402 IQCPVWVWLLRNIG-SDNWHVSQSA-N 351.406 4.756 0 1 FJAF Fc1ccc(-c2cnn(Cc3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1 587165010 INCJUJITIOGEST-UHFFFAOYSA-N 360.314 4.633 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3cccc(O)c3[nH]2)c1 587196197 SICGPOBHJIPHII-UHFFFAOYSA-N 353.422 4.615 0 1 FJAF Cc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1C 587241512 DTUVUPVQHPABRY-UHFFFAOYSA-N 353.422 4.899 0 1 FJAF Nc1ccc2oc(-c3nc4cc(C(F)(F)C(F)(F)F)ncc4[nH]3)cc2c1 587251522 HYFAVEVKLHXQFQ-UHFFFAOYSA-N 368.265 4.607 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN([C@H](C)c3ccccc3)[C@H](C)C1)O2 587393823 NLGYNZKPOLYDMG-SEPYTNNBSA-N 364.489 4.527 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Cl)cc1C(F)(F)F)[C@@H](C2)C3=O 587421663 QPEQRNAWIICLJH-YVEFUNNKSA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587444906 XAVAKRNFIDUJBU-FDDCHVKYSA-N 360.409 4.520 0 1 FJAF C[C@@]1(c2nc3c(s2)CCCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587534662 DOHUZQGOUUCPQW-NRFANRHFSA-N 353.487 4.781 0 1 FJAF Cc1cccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)[nH]c12 587591968 XOZHNRVEASSYDX-XXBNENTESA-N 371.392 4.885 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(F)(F)F)c(C(=O)c3cn(C)nc3C)c2c1 587642736 VDQLHSSRQXBWGY-SNVBAGLBSA-N 363.383 4.973 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2F)N1 587716738 DRNTWCZDASWXTJ-HYORBCNSSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCc3ccccc3CC2)N1 587818641 RQFPLIOZSURFOO-ZDUSSCGKSA-N 374.297 4.897 0 1 FJAF CC(C)CSC[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845551 NFIRPRHHJHWQHI-ZBEGNZNMSA-N 360.336 4.727 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(Cl)ncn1 587855180 LGBZNAGPFZEMJR-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF Cc1ccc(-c2ncc(OCC3CCNCC3)nc2-c2ccc(C)cc2)cc1 653698649 USYJCZAHNFWBQT-UHFFFAOYSA-N 373.500 4.806 0 1 FJAF CC1(C)C(=O)CC[C@@]2(C)[C@@]1(O)CC[C@@H]1Cc3c([nH]c4ccccc34)[C@]12C 2356417714 JQTRPSHLFTZYHC-XXEBNIPDSA-N 351.490 4.518 0 1 FJAF CC(=O)[C@@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356440411 AJTJMWNUICROTB-BIEYJCKJSA-N 372.549 4.554 0 1 FJAF O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)C1=NCCO1 13587159 OXSPSDXWPZIZLG-UHFFFAOYSA-N 351.446 4.681 0 1 FJAF c1ccc(-c2ccc(NCCCCCN3CCc4ccccc4C3)nn2)cc1 13794298 DVLMIYJJISHOPY-UHFFFAOYSA-N 372.516 4.784 0 1 FJAF CC(=O)NC[C@@H]1C[C@H]1c1cccc2nc(CCCCc3ccccc3)oc12 34065475 YSLIKCKRXZNCIC-AZUAARDMSA-N 362.473 4.633 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 34212570 RPIWNKCKNAVMOS-REVVNVNUSA-N 359.554 4.739 0 1 FJAF COc1ccccc1NCc1ccc(/C=C/C(=O)Nc2ccccc2N)cc1 40567362 XTIGLCAWLHXHJR-CCEZHUSRSA-N 373.456 4.541 0 1 FJAF CC(=O)N1N=C(c2ccc3ccccc3c2)O[C@H]1c1ccc(Cl)cc1 73389094 ILYBXOLSEDUOAK-FQEVSTJZSA-N 350.805 4.732 0 1 FJAF CCCCNc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132255 QDOOHIBOEWXEDT-QFBILLFUSA-N 366.509 4.664 0 1 FJAF COc1ccc(-c2ccc3c(c2)SC(=N)N2CCCN=C32)cc1Cl 95574867 QVDYAMUKTQVWPE-UHFFFAOYSA-N 357.866 4.508 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)/C=C/C=C\c1ccc3c(c1)OCO3)C2 95909852 PRQIQLZCTBYMPT-GJLKYLHISA-N 354.446 4.743 0 1 FJAF biogenic,in-vitro COc1ccc(OC)c([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)c1 238779988 SZUUCCHCUGGUGG-FDQSAEMMSA-N 372.461 4.806 0 1 FJAF Fc1cc(Br)c2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc2c1 586890485 QCDAIDNNRXPAGV-FZKQIMNGSA-N 357.226 4.836 0 1 FJAF CCc1ccc(-c2nc3c(F)cnc(Cl)c3[nH]2)cc1Br 586978022 XDSWFCRGFQNGBA-UHFFFAOYSA-N 354.610 4.742 0 1 FJAF COc1cc(Cl)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587066031 FHGLBVKUTIRPJO-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4cnc(Cl)[nH]c-4n3)ccc2F)cc1 587139263 FFXUNZSKFHPJRR-UHFFFAOYSA-N 366.783 4.634 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cccc(Cl)c2[nH]1 587201944 ZMWIEMYLKGWZEF-UHFFFAOYSA-N 351.878 4.797 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc3oc4cc(N)ccc4c3c1)O2 587392484 ZXBRYUADKFQLKG-QHCPKHFHSA-N 372.424 4.939 0 1 FJAF CC[C@@]1(c2cccc(Br)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418390 POORYNABHWFCKY-BEFAXECRSA-N 373.246 4.511 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)cc1Cl)[C@@H](C2)C3=O 587421669 QWSUDCGVJFCQEJ-YVEFUNNKSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OCC)c1OCC)CC2=O 587483237 VZXXHRZDCPRAIV-HXUWFJFHSA-N 370.445 4.849 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCO[C@H](c3ccccc3)C1)CC2=O 587494108 XAVLVEKYHWXUNY-UNMCSNQZSA-N 352.430 4.600 0 1 FJAF O=C1C[C@@]2(CCCc3nc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587502067 SPCKEVYDYDNKSO-OAQYLSRUSA-N 353.849 4.811 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H](C3CC3)C2)N1 587817623 MRIBNJDAWOGAPD-YNKQFZHNSA-N 352.291 4.918 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cncc(C)c4[nH]3)c2C)c(OC)c1 587929010 JPGVDQIBIRKUNZ-UHFFFAOYSA-N 359.429 4.926 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@@H](C)CN(Cc3ccccc3)C2)N1 962950595 NWFSAOHSEBQANJ-RQBNJVACSA-N 373.544 4.830 0 1 FJAF O=C(/C=C/c1ccc(F)cc1)Nc1cc(Nc2ccc(Cl)cc2)ncn1 1857774049 WAYBGOYZGALOKA-XCVCLJGOSA-N 368.799 4.665 0 1 FJAF COC(=O)c1ccc(O)c(C[C@H]2[C@@]3(C)CCCC(C)(C)[C@@H]3CC[C@@]2(C)O)c1 2356715241 RXPHHRPSFMZFFI-DHNNRRLOSA-N 374.521 4.715 0 1 FJAF O=C(Nc1cc2cc(-c3cncs3)ccc2cn1)C1(F)CCCCC1 2382253259 DZIRRGIBESUXBL-UHFFFAOYSA-N 355.438 4.969 0 1 FJAF O[C@H](c1ccc(Cl)c(F)c1)c1ncc(-c2ccccc2C(F)(F)F)[nH]1 61905554 CRHCYSNECZKFHO-OAHLLOKOSA-N 370.733 4.970 0 3 FJAF C[C@H]1C[C@@H](C)CN([C@@H](C(=O)NC2CCCCC2)c2cc3ccccc3o2)C1 195388035 KJJLZXFTIQHXNU-HYFFOGBASA-N 368.521 4.901 0 3 FJAF C[C@@H]1C(=O)O[C@H](CCCCCCCCCCCCC[C@@H](C)O)[C@H]1C(=O)O 14610983 IQOBRUHFIHSLSL-HCXYKTFWSA-N 370.530 4.701 0 1 FJAF COc1ccc(C[C@@H]2C[C@H](Cc3ccc(OC)cc3)[C@H]3CC[C@@H]2N3C)cc1 28526226 GVXUWMUJULZCIL-XZOTUCIWSA-N 365.517 4.588 0 1 FJAF COc1ccc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)cc1OC 28567621 VHRICYJKRDQOLN-UHFFFAOYSA-N 373.412 4.744 0 1 FJAF Cc1cc(-c2cnc(Nc3ccccn3)s2)nc(OC2CCCCC2)n1 34875205 YEZLWBMZTQEIQF-UHFFFAOYSA-N 367.478 4.759 0 1 FJAF Cc1ccc(-c2ccnn2Cc2ccc(OCc3ccccc3)cc2)cn1 45202199 MJYYFDAWLRSUAV-UHFFFAOYSA-N 355.441 4.881 0 1 FJAF Cc1ccsc1-c1c2c(nc3sc(C(N)=O)c(N)c13)CCCCCC2 49113657 JFWUTNVXUNPNJU-UHFFFAOYSA-N 371.531 4.673 0 1 FJAF O=C(c1ccncc1)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccccc1 64516851 KQTHNXYUBFTIRV-HXUWFJFHSA-N 367.408 4.819 0 1 FJAF O=C(c1ccc2c(c1)c1ccccc1n2Cc1cccnc1)N1CCCCC1 96938384 YQENJWOXTWGQGN-UHFFFAOYSA-N 369.468 4.864 0 1 FJAF COc1ccc(-n2c(SC(C)C)nc3c4ccccc4nc-3c2O)cc1 100705914 QUPAMSYZBCCVCU-UHFFFAOYSA-N 365.458 4.740 0 1 FJAF CN(c1nc2cc(C(=O)O)ccc2nc1-c1ccc(F)cc1)C1CCCC1 116230041 PZHDDPXCAAUDKJ-UHFFFAOYSA-N 365.408 4.513 0 1 FJAF COc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1 169351377 UZZCBYZCZIZXDV-UHFFFAOYSA-N 373.441 4.782 0 1 FJAF COc1ccc(F)cc1-c1ccnc2[nH]c(C3=CC[C@H](C(=O)O)CC3)cc12 226089598 DPGRHRYLFMBPHK-ZDUSSCGKSA-N 366.392 4.646 0 1 FJAF COC(=O)/C=C(\C)CC[C@@H]1[C@H](C(=O)OC)CC[C@@H]2C(C)(C)CCC[C@@]12C 238779085 WDMMGTWRGDEGNH-CCRNLVCJSA-N 364.526 4.918 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3ccc(Br)c(C)c3[nH]2)cc1 586892831 XIDLWKQUIJGAPD-GTNSWQLSSA-N 359.267 4.779 0 1 FJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2ccc3c(c2[nH]1)CCCC3 587079674 KDMANSWWBPCIPT-KRWDZBQOSA-N 364.880 4.819 0 1 FJAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1C(F)(F)F 587095609 MSGGIKYTEIBZEF-UHFFFAOYSA-N 362.351 4.642 0 1 FJAF OC1(c2nc3cccc(C(F)(F)F)c3[nH]2)CCC(C(F)(F)F)CC1 587127056 QTASKAZWAQIGAF-UHFFFAOYSA-N 352.278 4.522 0 1 FJAF CC[C@@]1(c2ccc(C(F)(F)F)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423897 WCTWQOHVWNBKCN-BEFAXECRSA-N 362.347 4.767 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(C)c1C)[C@@H](C2)C3=O 587430325 GRLIEWYKJBOXAY-GAJHUEQPSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1csc(-c3ccco3)n1)CC2=O 587493725 GKDTUJZUZSDZPE-KRWDZBQOSA-N 355.415 4.768 0 1 FJAF O=C(O)CCC[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587529046 IGRRFTSYEGFXPX-QHCPKHFHSA-N 364.441 4.681 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587556597 XUSWVINHDMFHPC-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF C[C@]1(c2csc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587615196 WXFXLMLUXWWEKS-QFBILLFUSA-N 372.829 4.984 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc(C(F)F)c2)N1 587715735 IHIINKPDAHNPSW-ANRSDYALSA-N 371.200 4.544 0 1 FJAF CC(C)CSC[C@@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587845550 NFIRPRHHJHWQHI-MEDUHNTESA-N 360.336 4.727 0 1 FJAF O=C(CCc1ccccc1)c1nc2cc(SC(F)(F)F)ccc2[nH]1 587953918 WXUOATJRMFKSDH-UHFFFAOYSA-N 350.365 4.990 0 1 FJAF Nc1c(C(=O)Nc2cccc(F)c2)sc2nc3c(cc12)CCCCC3 653700864 YQGGNJLGSUQLHR-UHFFFAOYSA-N 355.438 4.539 0 1 FJAF CC(C)(C)C[C@]1(c2ccc(Cl)cc2F)NCCc2nc3ccccn3c21 962981114 DMKVUVZHKQXNFZ-OAQYLSRUSA-N 371.887 4.952 0 1 FJAF CCc1ccc(C(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)O)cc1 3648496 XIAFQNHGZVFYAE-UHFFFAOYSA-N 365.454 4.952 0 1 FJAF Cc1cc(Sc2ccc(C(=N)N)cc2)nc2cc(Br)ccc12 13535239 CBMLEZOUDQKSIJ-UHFFFAOYSA-N 372.291 4.741 0 1 FJAF COc1cc([C@H]2O[C@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14727697 YPQNDHHCUQGPFN-GETUCHRZSA-N 358.434 4.503 0 1 FJAF Cn1c(COc2cccc(C(=O)O)c2)nc2ccc(Oc3ccccc3)cc21 43200323 OJGBFPBXVNOOOR-UHFFFAOYSA-N 374.396 4.643 0 1 FJAF CN(Cc1ccccc1)C(=O)[C@@H]1CCCc2c1c1ccccc1n2CCF 73198667 FJAMEGHJYXTEHB-LJQANCHMSA-N 364.464 4.689 0 1 FJAF Nc1c(-c2ccc(F)cc2)c(-c2ccncc2)nn1-c1ccc(Cl)cc1 84596189 QJVWSZUUCBXFHW-UHFFFAOYSA-N 364.811 4.976 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3ccc(F)cc3)cc2)cc1 100106562 HAMZZRAEARALHF-LNWKWYTESA-N 372.487 4.741 0 1 FJAF CCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)cc1 103543409 CQMUJCMJJFNRMA-IBGZPJMESA-N 369.461 4.703 0 1 FJAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 169346085 BLOLSIOUOOBUTD-HCKSQZIPSA-N 371.527 4.516 0 1 FJAF Cc1cccc(Nc2cc3[nH]c(-c4ccc(C(=O)N(C)C)cc4)cc3cn2)c1 223303473 PYXNGDWAMPTXPH-UHFFFAOYSA-N 370.456 4.984 0 1 FJAF Fc1ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c2c1Br 586884390 HQCAZMQDASEMIS-KZULUSFZSA-N 357.226 4.836 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(F)cc3O)nc3ccc(O)c1c23 586987382 FBOCTWZSPPPOOZ-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@H]3c1ccccc1F 586988543 LFGGLALPXOFOTN-HNNXBMFYSA-N 367.379 4.979 0 1 FJAF CSc1ccc2nc(-c3ccnc4[nH]cc(Br)c34)[nH]c2c1 587002407 FBFLTTJMWNJJBC-UHFFFAOYSA-N 359.252 4.591 0 1 FJAF Cc1cc(Br)c2[nH]c(C[C@H](N)c3ccccc3Cl)nc2c1 587056541 IOKRPYNHFWHVDC-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF FC(F)(F)Oc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1 587084699 RNVPSJWFYCDQKA-UHFFFAOYSA-N 353.731 4.590 0 1 FJAF COc1ccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)cn1 587097705 PSVFNEOFEHYWPC-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF COc1cc2nc(-c3cc(-c4ccc(F)cc4)n(C)c3C)[nH]c2cc1OC 587166085 MDOBCUBKKWZPIW-UHFFFAOYSA-N 365.408 4.700 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@H](C)[C@@H](O)C3)c1 587365021 CHZVHWBHVYBQDA-DJJJIMSYSA-N 359.425 4.752 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(-c3cccc(N)c3)c1)O2 587391463 UEDRFBHIENWFMA-HSZRJFAPSA-N 358.441 4.707 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(F)c(Cl)cc1F)CC2=O 587467306 SCJJHFZCULNGKT-KRWDZBQOSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)cc(F)c1Cl)CC2=O 587468343 WNWQVUKZSBBXLB-MRXNPFEDSA-N 352.764 4.983 0 1 FJAF O=C1C[C@H](c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 587496096 GYWMMVRVJCOPTP-GOSISDBHSA-N 373.246 4.740 0 1 FJAF O=C1C[C@@]2(CCCCC[C@H]2Cn2ccnc2)Oc2c1ccc1c2CCCC1 587513973 CNQNBUAABRASPV-FDDCHVKYSA-N 364.489 4.746 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(C)s1 587609983 AZEPUIRLBSMNLY-PXNSSMCTSA-N 352.411 4.773 0 1 FJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2ccc(OC(F)(F)F)cc2[nH]1 587931289 RTQYVXDDKBIMFB-ACJLOTCBSA-N 362.351 4.915 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(F)cnc(Br)c2[nH]1 587952409 QJEAZGSNQQYQCX-FOGDFJRCSA-N 370.266 4.906 0 1 FJAF N[C@@H](N=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955765 NPTHZWQVSNBVAL-NQIIRXRSSA-N 356.429 4.661 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(CCCOc3c(F)cc(F)cc32)N1 962947592 NWGBIHNVQDCPPB-JLCFBVMHSA-N 368.427 4.787 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(-c3noc(C)n3)c2)N1 962950620 RWPBCEUYHBZLMB-UZLBHIALSA-N 358.445 4.540 0 1 FJAF Cc1ccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)cc1 1772631277 WZUTVZOKMNJYBG-UHFFFAOYSA-N 369.417 4.635 0 1 FJAF CC(C)Oc1cc2c(cc1OCCCN1CCCC1)NC(=N)C21CCCC1 1857601483 DBEJHYMPTLNKLS-UHFFFAOYSA-N 371.525 4.553 0 1 FJAF CC(C)(C)c1ccc(CCNC(=O)c2ccc(O)cc2-c2ccncc2)cc1 1857639200 ZJAROONINGLOCJ-UHFFFAOYSA-N 374.484 4.724 0 1 FJAF CC(=O)O[C@@H]1C[C@H](C)[C@](C)(C=Cc2ccoc2)[C@@H]2CCC[C@@H](C(=O)O)[C@]21C 2356670123 ANOFHMQPLUCEOM-DMKZLFIISA-N 374.477 4.778 0 1 FJAF CCN1C=N[C@@H](c2ccc(O)cc2Cl)[C@H]1c1ccc(O)cc1Cl 13559439 JNXKJSSQRBLMFI-DLBZAZTESA-N 351.233 4.551 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CC[C@H](Cc3ccccc3)C2)c1Cl 40899187 AULZAOYATYMWMK-QGZVFWFLSA-N 364.880 4.569 0 1 FJAF CCC(=O)N1CCc2c([nH]c3ccc(CC)cc23)[C@@H]1c1cccc(OC)c1 71295068 JDZQFHYQFFEPOB-QHCPKHFHSA-N 362.473 4.623 0 1 FJAF Clc1ccc(-c2nc(CNCCOc3ccccc3)co2)c(Cl)c1 72186364 DAWFBUSQQHXGLG-UHFFFAOYSA-N 363.244 4.817 0 1 FJAF C[C@@H](CN1CC[C@@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1 101097038 LMKGEGFYXCALHV-OWSXEPHWSA-N 365.517 4.774 0 1 FJAF CC[C@H](Cc1c(C)cccc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251336 QGKBVDLQECAUMM-LJQANCHMSA-N 359.535 4.528 0 1 FJAF COc1ccc(CN(CCc2ccccc2)Cc2ccc(C)cc2)cc1O 103277649 PSRCOKYBBYEKFS-UHFFFAOYSA-N 361.485 4.954 0 1 FJAF Clc1ccc(-c2nn(-c3ccc4ccccc4n3)c3ncncc23)cc1 169308774 OOQKRYAUZWXDBW-UHFFFAOYSA-N 357.804 4.684 0 1 FJAF CCC[C@H]1C(C(=O)OCC)=C(c2ccccc2)N=C(C)[C@H]1C(=O)SCC 169721242 KZXCYNWHGAITBA-IAGOWNOFSA-N 373.518 4.748 0 1 FJAF COc1cc(C(=O)OCCC(C)C)nc2c(OCC=C(C)C)cccc12 219778861 POHNEKQKPAWARF-UHFFFAOYSA-N 357.450 4.791 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(C)c(Br)cc3[nH]2)cc1 586885844 DFYSPFRSSIDSPF-PXAZEXFGSA-N 359.267 4.779 0 1 FJAF Cc1c(Br)cc2nc([C@H]3C[C@@H](O)c4ccccc43)[nH]c2c1C 586904304 SYAHASCTQDRBLF-XJKSGUPXSA-N 357.251 4.511 0 1 FJAF Clc1cc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2cc1Cl 587039834 GCXDIWDKPMCSPJ-CVEARBPZSA-N 364.301 4.816 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(C)ccnc3[nH]2)c1 587198653 OOUHRACFXKXUCS-UHFFFAOYSA-N 352.438 4.613 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587233685 SYFXRRASPMVQIF-WCBMZHEXSA-N 371.815 4.655 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(C)cc(Cl)cc31)O2 587380386 UHOQYJNECXCLAZ-FQEVSTJZSA-N 357.837 4.572 0 1 FJAF O=C1C[C@@H](Cc2ccc(Br)cc2)Oc2c1ccc1c2CCCC1 587503213 MYVJQYZFYZNJRI-MRXNPFEDSA-N 371.274 4.904 0 1 FJAF O=C1C[C@@H](c2cnc([C@@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587534462 BZHIHEWFYMMJBJ-IRXDYDNUSA-N 355.459 4.580 0 1 FJAF O=C1C[C@@](c2ccccc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587535804 OARFTEIGRUGRBI-XMMPIXPASA-N 362.469 4.853 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)ccc(F)c2F)N1 587718020 MECONJKJBPLNQA-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF CC(C)c1nc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cs1 587853399 QVNGIMUBBZCVGF-PSLIRLAXSA-N 369.303 4.792 0 1 FJAF Cc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1C 587873784 MJBTXMUFGIRUQF-ZDUSSCGKSA-N 352.365 4.519 0 1 FJAF COc1ccc(/C=C\Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1 587928699 HMTZECWSRRGCJF-ARJAWSKDSA-N 364.232 4.538 0 1 FJAF CN1CCc2c(Br)cccc2[C@@]1([C@@H](O)C(C)(C)C)C(C)(C)C 963290777 YLIRTSWYWJFSLC-QFBILLFUSA-N 368.359 4.585 0 1 FJAF C[C@@H]1NO[C@H](C)[C@H]1c1ccc2c(c1)CN(C)C[C@H]2c1ccc2ccccc2c1 1772641207 CQTQIPQVYQLOGC-MZXZQTHYSA-N 372.512 4.813 0 1 FJAF CO[C@@H]1C[C@]2(CC[C@]3(O2)[C@H](C)CC[C@@H]2C(C)(C)CCC[C@]23C)[C@H](OC)O1 2356770658 DDLXKCMOPRPBNK-QTHQPCJMSA-N 366.542 4.902 0 1 FJAF CCN(CC)CCCCN1C(=O)Nc2ccccc2[C@@H]1c1ccccc1 13553567 HVACNPZMKCTZCT-NRFANRHFSA-N 351.494 4.746 0 1 FJAF CCN1CC=C(c2ccccc2)[C@@H](C(=O)OCCCCc2ccccc2)C1 13782825 NUVNZEOHVSPIKR-QHCPKHFHSA-N 363.501 4.588 0 1 FJAF CCCc1nc2c(C)ccnc2n1Cc1cc(Cl)c(O)c(Cl)c1 26267399 OTFWXOOPLLSNJX-UHFFFAOYSA-N 350.249 4.753 0 1 FJAF CC[C@]1(c2ccc(Br)cc2)CN(C)Cc2sc(C)cc21 40632503 UOOCESXSMDYWAS-QGZVFWFLSA-N 350.325 4.961 0 1 FJAF Cc1nc(-c2ccccc2)sc1CC(=O)NCc1ccc(F)cc1Cl 49115803 VDBIMFJDODEMKU-UHFFFAOYSA-N 374.868 4.770 0 1 FJAF Cc1cc(C)cc(NC(=O)c2cccnc2SCc2ccnc(F)c2)c1 66112171 AKWNVQJIFDXHQV-UHFFFAOYSA-N 367.449 4.777 0 1 FJAF CCOc1ccc(Nc2nc3cc(S(=O)(=O)C(C)(C)C)ccc3o2)cc1 73313140 PCJHTSIZCDAHDG-UHFFFAOYSA-N 374.462 4.542 0 1 FJAF CC(C)(C)c1cc(OC(=O)c2c(Cl)cc(N)cc2Cl)ccc1O 473115907 VNLVQPCADZVCGX-UHFFFAOYSA-N 354.233 4.798 0 1 FJAF COc1cc(/C=C\c2nc3cnccc3[nH]2)cc(Cl)c1OCC(C)C 587046235 DGEMJYOZQHSYCL-PLNGDYQASA-N 357.841 4.825 0 1 FJAF Cc1ccc2c3c(cc(/C=C/c4ccnn4C)nc13)-c1ccccc1C2=O 587097986 RJEKNYKOILFLNK-CMDGGOBGSA-N 351.409 4.659 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(Br)cc1)O2 587369996 AJHXSTODBOBEHY-IBGZPJMESA-N 374.278 4.696 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3Cl)no1)O2 587378848 QUFKEMYSYVXVRY-QGZVFWFLSA-N 354.793 4.592 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccc(O)cc1)CC2=O 587478134 GKPSGQXYHFYCBF-DEOSSOPVSA-N 374.436 4.959 0 1 FJAF CCOC(=O)[C@H](C1CCCC1)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521396 CSRSLDDAJZSOIC-REWPJTCUSA-N 370.489 4.659 0 1 FJAF CCNc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573874 UYJOIUDYJJKUMZ-DENIHFKCSA-N 361.397 4.527 0 1 FJAF CC[C@@H]1CC[C@H](C)C[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600476 BCIXBSLRBZJFDK-LTRXETERSA-N 352.430 4.939 0 1 FJAF Cc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724699 LHZGZTCZFRYWNI-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3[nH]ccc23)N1 587803445 PZDJOTYFBCLOFG-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF CSCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587842228 DBRRJDJSHGAZDU-XXFAHNHDSA-N 370.287 4.668 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@]21CCCC[C@@H]1[C@@H]1CCCCCN1 963115332 VWRVSQUQTYFXMP-MALNDZBISA-N 356.529 4.764 0 1 FJAF Fc1cccc2c1[C@H](c1ccccc1OCc1cccnc1)N1CCC[C@H]1C2 963117419 YRQFJJZNUVJRIM-CYFREDJKSA-N 374.459 4.910 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]2(c1ccc(C)cc1)C(F)(F)F 963260910 ZYWSIUFBFPWDOX-KRWDZBQOSA-N 355.787 4.609 0 1 FJAF CN(C(=O)c1cn(C)c2ccccc12)c1ccc(Oc2cccnc2)cc1 199264144 OPOBWNNSYCIZLI-UHFFFAOYSA-N 357.413 4.642 0 3 FJAF C[C@@H](CN1CC[C@@]2(C)c3ccc(O)cc3C[C@@H]1C2(C)C)Oc1ccccc1 13475605 LMKGEGFYXCALHV-YJGRUCBDSA-N 365.517 4.774 0 1 FJAF O=C(c1ccc(Cl)cc1Cl)[C@@](F)(Cn1ccnc1)c1ccccc1 26397147 LBVLHISBHLBXGG-GOSISDBHSA-N 363.219 4.938 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ccc(OC)cc3)c(C)nn12 27189207 OCLJZDRFIGBTOX-UHFFFAOYSA-N 352.482 4.648 0 1 FJAF COc1ccc(CCNc2c3c(nc4ccccc24)CCCC3)cc1OC 31702620 CWOSTJOZRVRLJV-UHFFFAOYSA-N 362.473 4.785 0 1 FJAF CC(C)=CCC/C(C)=C/CC[C@](C)(O)[C@@H]1Cc2cc(C(=O)O)ccc2O1 39138460 FEWBLKHNHHTXBA-KHZDUMCXSA-N 358.478 4.912 0 1 FJAF c1coc(-c2ccc(Oc3ccc(OCCN4CCCC4)cc3)cc2)n1 49872015 IMGGKNXDSXRLHK-UHFFFAOYSA-N 350.418 4.609 0 1 FJAF CC(C)Oc1ccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)cc1 72103328 LOZWWNIZAYJOSZ-OAQYLSRUSA-N 353.849 4.806 0 1 FJAF COc1cccc(CN(C)C(=O)c2ccc(-c3cccc(OC)c3)s2)c1 73196262 CRYBGCSJAOVZFN-UHFFFAOYSA-N 367.470 4.705 0 1 FJAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2C[C@@H]1CCCO1 82186894 DHXHCSKZBWVBHH-INIZCTEOSA-N 359.518 4.511 0 1 FJAF O=C(NC1CC1)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671160 NKTMGVQULVMCBW-MRXNPFEDSA-N 366.408 4.586 0 1 FJAF CCCCCO/C(O)=C1/C(C)=Nc2ncnn2[C@@H]1c1ccc(Cl)cc1 104059851 VEPGRHMFIQHJKL-CFBLSMTOSA-N 360.845 4.603 0 1 FJAF CCCOc1c(Cl)cc(C(=O)Nc2ccc(C(=O)O)cc2)cc1Cl 116229465 IAJYGLWDIJOHTK-UHFFFAOYSA-N 368.216 4.733 0 1 FJAF O/N=c1\cc(-c2cc3ccccc3cn2)oc2ccc(OC(F)(F)F)cc12 117375133 LYSWILUDJIJICI-BUVRLJJBSA-N 372.302 4.837 0 1 FJAF O=C(O)c1cccc(-c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)c1 144727273 UIOCSAZLSXQDLB-FQEVSTJZSA-N 370.326 4.830 0 1 FJAF CCC[C@@H]1C(C(=O)OCC)=C(c2ccccc2)N=C(C)[C@H]1C(=O)SCC 169721241 KZXCYNWHGAITBA-DLBZAZTESA-N 373.518 4.748 0 1 FJAF COc1cc(-c2nc(-c3ccc(Oc4ccccc4)cc3)no2)ccc1N 299856007 BLRYAIFITFJJFG-UHFFFAOYSA-N 359.385 4.787 0 1 FJAF O=C1c2ccccc2-c2cc(Cc3cccc(F)c3)nc3ccc(O)c1c23 586989124 XVEMFSGIHNFBLF-UHFFFAOYSA-N 355.368 4.882 0 1 FJAF Cc1nc2ccc(O)c3c2c(c1[C@@H]1CCCCC1=O)-c1ccccc1C3=O 586991396 URVWXGQTLXSDCB-OAHLLOKOSA-N 357.409 4.687 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C)[C@H](CC(=O)O)C4)-c1ccccc1C2=O 587101442 NIWBIBKOUSZSAC-OLZOCXBDSA-N 357.409 4.505 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587113164 KLSSUZUBBCOCKS-NSHDSACASA-N 362.351 4.699 0 1 FJAF Cc1c(F)ccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587197718 LELGMSWZJKMPLP-IBGZPJMESA-N 369.440 4.976 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCC3)cc1Cl)O2 587375682 NYKGIPNIPSZURO-IBGZPJMESA-N 356.853 4.537 0 1 FJAF CC(C)[C@]1(c2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600559 OLOFIAMABOEBMA-NFBKMPQASA-N 360.409 4.905 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c(C(=O)NCc3ccccc3OC)c2c1 587642534 MGLCLFIHVSVBTC-AWEZNQCLSA-N 350.462 4.928 0 1 FJAF Cc1c(F)ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587717343 FWDTYJIHIJHZLL-RBHXEPJQSA-N 370.212 4.798 0 1 FJAF Cc1c(F)cccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587723961 ZZXODGZXLXZPBK-XYZCENFISA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](CCCc2ccccn2)N1 587772004 MUMDHFYUCGXGPG-MLGOLLRUSA-N 363.274 4.581 0 1 FJAF CCC[C@@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774165 LTRYIKNAKCKAPW-XIKOKIGWSA-N 363.274 4.561 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)c1 587780567 CZAFKECLVSWCFO-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1cc2[nH]c(COC/C=C/c3ccccc3)nc2cc1C(F)(F)F 587781391 UTTOQLFDUALRAD-QPJJXVBHSA-N 350.315 4.951 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cc[nH]c23)N1 587800517 BEYQJYAEYYIJKF-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF COc1cc(C)ccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587804672 CDEHZBXQAIRBOY-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF Cc1ccc(C[C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587814580 ULJHKAXMXZSWLX-ORAYPTAESA-N 362.286 4.889 0 1 FJAF Cc1cc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842847 GPDYRWPDBXAHHD-PWJLMRLQSA-N 354.288 4.890 0 1 FJAF Cc1sc2c(c1C)CCN[C@@H]2C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 963015257 WRZZQRHKALCBOB-NVXWUHKLSA-N 366.571 4.881 0 1 FJAF Fc1ccc(-c2cnn3c(NCc4cccs4)ccnc23)cc1Cl 1857611279 HFNJCZRTSMXHNX-UHFFFAOYSA-N 358.829 4.862 0 1 FJAF CC(=O)OCC(=CCOc1cc(=O)oc2cccc(C)c12)CCC=C(C)C 2356549489 DCKUODDYBYSEKX-UHFFFAOYSA-N 370.445 4.716 0 1 FJAF COC(=O)[C@H](C)CCC[C@H](C)[C@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356845371 OECIULCWWQFRHD-TTZDDIAXSA-N 362.466 4.687 0 1 FJAF COc1cccc([C@@H](NC(C)=O)c2nc(-c3ccc(C)c(C)c3)cs2)c1 61907253 WHEBQVJBLQTJTM-HXUWFJFHSA-N 366.486 4.661 0 3 FJAF COc1ccc([C@](C)(O)c2nc(-c3ccc(F)c(Cl)c3)cs2)cc1 61926229 ARZBMGWRDXGFTD-SFHVURJKSA-N 363.841 4.867 0 3 FJAF CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)[nH]2)cc1 6178836 ORJNOEGNHCCBHN-UHFFFAOYSA-N 366.490 4.545 0 1 FJAF Cc1cccc(Cl)c1C(=O)N[C@@H](CCN(C)C)c1ccc(Cl)cc1 13684741 AVFNQIJRKYRGOK-KRWDZBQOSA-N 365.304 4.725 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34315807 YEULSAXOJYTLCB-ARJCTQBQSA-N 359.554 4.739 0 1 FJAF COc1ccc(NCc2ccc(/C=C/C(=O)Nc3ccccc3N)cc2)cc1 36338687 VTBPJARWNUWZDU-XNTDXEJSSA-N 373.456 4.541 0 1 FJAF CCCC(=O)NCC[C@H]1C[C@@H](c2ccccc2)Cc2ccc(OC)cc21 45506251 PIGKQNFHIVEDBG-PMACEKPBSA-N 351.490 4.815 0 1 FJAF CC(=O)OC1=CCC[C@@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 69482507 YQBLLNPEOGXFFB-GNPZUCITSA-N 358.434 4.547 0 1 FJAF biogenic,in-vitro O=C(NC1CCCCC1)N1C[C@@H](Cc2ccccc2)C(c2ccccc2)=N1 95577219 MMYHWSSYVWCYBE-HXUWFJFHSA-N 361.489 4.608 0 1 FJAF Cc1ccc(CN(C(=O)OC2C[C@H]3CC[C@H](C2)N3C)c2ccccc2)s1 101152214 FIYZCZVBIXLYNG-QZTJIDSGSA-N 370.518 4.825 0 1 FJAF COc1ccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)cc1 299824278 BLMJBIFYLHAJRU-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@@]34CCC[C@H]3[C@H]3CC[C@H]4C3)nc12 586882721 AMMIUTJXUSCKPY-KUEQOTSFSA-N 366.690 4.842 0 1 FJAF Cc1cc(F)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc2c1 587030089 XCHNGJSHGOUEJL-UHFFFAOYSA-N 363.421 4.532 0 1 FJAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@H]1c1nc2ncc[nH]c-2n1 587070835 IEBSFAIWMGUSSP-HSWBZUAGSA-N 359.260 4.977 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(C)cc3nc1Cl)O2 587379766 KRUCCRNRJHPHGP-SFHVURJKSA-N 352.821 4.794 0 1 FJAF CCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C 587399703 JJIVASWKCJQBQX-HXUWFJFHSA-N 369.461 4.717 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(C(=O)c1ccc(Cl)cc1)CC2=O 587462017 MPSZJLNLFKYCMT-FQEVSTJZSA-N 358.821 4.605 0 1 FJAF O=C1C[C@@](C[C@H]2CCOC2)(c2ccccc2)Oc2c1ccc1c2CCCC1 587536453 TXQNGBMNKFTCAJ-OSPHWJPCSA-N 362.469 4.853 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724953 MPGICZSYYWDUSF-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc3ccccc3c2)N1 587779472 SQCNWJSLYHLULV-NSPYISDASA-N 371.253 4.760 0 1 FJAF Cc1coc(C)c1[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587830429 SZAKEIMRYYWQEJ-QGHHPUGFSA-N 352.247 4.596 0 1 FJAF c1cncc([C@@H]2CCC[C@]23c2ccsc2CCN3Cc2ccco2)c1 962717774 VQGOTRWCWZPMQW-GHTZIAJQSA-N 350.487 4.957 0 1 FJAF O=C(C1CC1)[C@@]1(c2ccccc2F)NCCc2c(Cl)cc(Cl)cc21 963103598 FYWZFSLOORGBRM-IBGZPJMESA-N 364.247 4.501 0 1 FJAF C=C(/C(C)=C/c1ccc(OC)c(F)c1)c1cc(OC)c(OC)c(OC)c1 1772633885 MEAOLZFELRAEQK-UKTHLTGXSA-N 358.409 4.977 0 1 FJAF Clc1ccccc1[C@@H]1C=C(c2cccc3ccccc23)N=C2NN=CN21 1857540617 YNNKNSLVTNNPJP-FQEVSTJZSA-N 358.832 4.794 0 1 FJAF Cc1[nH]c2ccccc2c1CCNC(=O)c1ccc(-c2ccccc2F)nc1 1857548619 ATWMZQCTHWIOHO-UHFFFAOYSA-N 373.431 4.650 0 1 FJAF CC(C)(C)c1ccc(CN2CC/C(=C\c3ccc4c(c3)OCO4)C2=O)cc1 1857642760 PLVJWYIIZSSTGB-LDADJPATSA-N 363.457 4.529 0 1 FJAF COc1cc(OC)cc(-c2cc3c(Nc4cccc(O)c4)nccc3[nH]2)c1 74387134 ZNDVHCYDTWMJQB-UHFFFAOYSA-N 361.401 4.696 0 3 FJAF C[C@H](CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)CC(C)(C)C 13587980 VLMOWWYUNPBPIQ-IEGUWTFLSA-N 358.570 4.847 0 1 FJAF COC(=O)[C@@H](c1ccc2c(c1)OCO2)C(c1ccccc1)c1ccccc1 26820221 PFQISMRUXMIYPF-QFIPXVFZSA-N 360.409 4.504 0 1 FJAF CC(C)=C(C)[C@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954214 NNCLEHDMDOGBTQ-ZDUSSCGKSA-N 353.171 4.976 0 1 FJAF Cc1cc(C(=O)O)nn1[C@@H](C)c1cc(Cl)ccc1OCc1ccccc1 29043302 UBMDEJFXYFSQHI-AWEZNQCLSA-N 370.836 4.731 0 1 FJAF O=[S@](c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 40504949 UTXLMQNWWBGVDZ-VWLOTQADSA-N 368.355 4.709 0 1 FJAF O=C(NCC1CCNCC1)c1ccccc1-c1cccc(-c2ccccc2)c1 49785481 WVHQSBZRNMQNDV-UHFFFAOYSA-N 370.496 4.750 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)cc1 64513810 AFXJBTDRXLCKAH-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF Clc1ccccc1Nc1nc2c(-c3nc[nH]n3)cccc2n2cccc12 68248135 NEJSXCPIDIEJKT-UHFFFAOYSA-N 360.808 4.670 0 1 FJAF Nc1cc(-c2nc(C3CCC3)n3ccnc(N)c23)ccc1Oc1ccccc1 96168288 BJYURROSMIEJGK-UHFFFAOYSA-N 371.444 4.621 0 1 FJAF CCCN1CCN(C2=Nc3ccc(CC)cc3CC=C2c2ccccc2)CC1 100764317 YZHOYKLAUAOFHV-UHFFFAOYSA-N 373.544 4.946 0 1 FJAF CN[C@@H](C)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 150004340 XRZNWKLGDLAKCQ-LBPRGKRZSA-N 364.470 4.699 0 1 FJAF CCCSc1nc([C@H](CC)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352226 SIOCBXPROYQXLU-LLVKDONJSA-N 354.878 4.915 0 1 FJAF Cc1nc(N[C@@H](C)c2cccc(O)c2)cc(-c2ccc3ncsc3c2)n1 205331176 ZLRZWACBORKTDK-LBPRGKRZSA-N 362.458 4.940 0 1 FJAF Clc1ccc(-n2cccc2)cc1-c1nc2cc(Br)ncc2[nH]1 587050791 QNZLQXVDRBSCLO-UHFFFAOYSA-N 373.641 4.832 0 1 FJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2ccc3c(c2[nH]1)CCCC3 587108869 HISRZJCPZKDJJY-UHFFFAOYSA-N 360.335 4.826 0 1 FJAF CC1(C)C[C@@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)O1 587353819 NPDKFUPPCMFREX-AVRDEDQJSA-N 370.420 4.607 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2SC[C@@H]1C 587412414 BZKLWCRKNCSJAZ-WLRWDXFRSA-N 359.878 4.833 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1OC(F)F)CC2=O 587467825 UQHOQIYRFMZFCZ-INIZCTEOSA-N 366.335 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)C[C@@H](C)N3CC)CC2=O 587474003 BLWVCKPSHOTKDG-PEBXRYMYSA-N 365.473 4.822 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1nc3ccccc3n1CC)CC2=O 587476233 QRNJOFBSPXQENS-QFIPXVFZSA-N 364.445 4.595 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3c(cc1OC)CCCC3)CC2=O 587483095 UXZSJNVEFZZDJU-QFIPXVFZSA-N 366.457 4.939 0 1 FJAF COc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587496442 CYHKSUYVQKKYBQ-GOSISDBHSA-N 358.821 4.640 0 1 FJAF C[C@@H]1CCCC[C@@H]1N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515889 WZHDMSQNPHOTHI-UTKZUKDTSA-N 367.533 4.944 0 1 FJAF C[C@@]1([C@@]23C[C@@H]4C[C@@H](C[C@@](O)(C4)C2)C3)CC(=O)c2ccc3c(c2O1)CCCC3 587529259 MMNYDUPYMNOZFA-LLLIVJMNSA-N 366.501 4.621 0 1 FJAF Cc1cc(F)ccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587730080 WSUYBVRGVFRGBZ-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc2ccccc2o1 587872507 ZACYWCRHDBTEFV-UHFFFAOYSA-N 350.349 4.523 0 1 FJAF COc1ccc(-c2nc3c(NCc4ccc(Cl)cc4)nccc3[nH]2)cc1 1857602091 SGBRAWRXNOMOFR-UHFFFAOYSA-N 364.836 4.899 0 1 FJAF Cc1ccc(OCC(COc2ccc(C)cc2)NCc2ccccc2)cc1 2178320201 OKONVZOIJGLAFT-UHFFFAOYSA-N 361.485 4.920 0 1 FJAF O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Nc2cccnc2)cc1 95598633 VEKCKRCKVYDLIA-UHFFFAOYSA-N 356.429 4.878 0 3 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 5440634 RDPJISLOFXUIDK-ARJCTQBQSA-N 357.538 4.515 0 1 FJAF O[C@H](CN(Cc1cccc(C(F)(F)F)c1)c1ccccc1)C(F)(F)F 13490867 NMRRDQBVICTNEI-OAHLLOKOSA-N 363.301 4.635 0 1 FJAF c1ccc(CNc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 13559973 BGZRYVWWMJHNHC-UHFFFAOYSA-N 351.413 4.557 0 1 FJAF CCCCCCO[C@@H](C)[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398541 DTSBTUSKJKTLJH-SPEIYXEVSA-N 352.515 4.967 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1CCO 84615904 FUMUXLGDNRITKW-UHFFFAOYSA-N 372.774 4.846 0 1 FJAF O=C(CCc1ccccc1)Nc1cc(OCc2ccc(Cl)cc2)ccn1 95590383 KLVLCQHXCCWPSW-UHFFFAOYSA-N 366.848 4.885 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nccn2[C@@H]1c1cccc(Cl)c1Cl 101267149 UGPPYRQKKDSFPJ-QAALXFNPSA-N 352.221 4.691 0 1 FJAF Oc1c(Br)cc(CCc2ccc(F)cc2)cc1Br 139447316 RLADARCWVNZFRZ-UHFFFAOYSA-N 374.047 4.842 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1ccc(NC(=O)c2ccccc2F)s1 142611240 KRPSGTIOSWWGJX-UHFFFAOYSA-N 369.343 4.559 0 1 FJAF CC(=O)O[C@H](CC=C(C)C)/C(C)=C/COc1cc(=O)oc2cccc(C)c12 238749737 GYFARDLIBDGFNP-HAZIXKIPSA-N 370.445 4.715 0 1 FJAF Oc1cc(-c2ccccc2)nc(SCc2nc3cc(Cl)ccc3[nH]2)n1 299828466 NHADXIYQFGATJN-UHFFFAOYSA-N 368.849 4.671 0 1 FJAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)c(Cl)cc2[nH]1 586998139 XVKBCDRYIPVWPT-CYBMUJFWSA-N 372.049 4.714 0 1 FJAF Cc1ccc2nc(/C=C/c3cc4c(cc3Br)OCO4)[nH]c2c1 586998802 OWURISXKBRUPMT-HWKANZROSA-N 357.207 4.533 0 1 FJAF Fc1cnc(Cl)c2[nH]c(-c3csc(-c4ncccc4Cl)n3)nc12 587018192 YJOFFCNOVSAMQQ-UHFFFAOYSA-N 366.208 4.589 0 1 FJAF C[C@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098345 QMBCGDLBURZOKG-QMMMGPOBSA-N 352.287 4.571 0 1 FJAF Cc1ccc2c3c(cc(CC(C)(C)CC(=O)O)nc13)-c1ccccc1C2=O 587102290 ZYJVDZSHLMFDTJ-UHFFFAOYSA-N 359.425 4.798 0 1 FJAF CN(C)c1ncccc1-c1nc2c(C(F)(F)F)cc(C(F)(F)F)cc2[nH]1 587195289 GDAQJLQMKLYLHU-UHFFFAOYSA-N 374.288 4.729 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccn1-c1ccc(Cl)cc1)O2 587378714 DKPOMNWAQMOPSA-IBGZPJMESA-N 352.821 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)cc1C(F)(F)F)CC2=O 587463351 XMGCLXVYLCIHRQ-QGZVFWFLSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@@H](C)Cc1ccc(OC)c(F)c1)CC2=O 587468957 ZFDUKAUFGLKLMW-YEJXKQKISA-N 372.436 4.705 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1Cc1ccccc1)CC2=O 587470490 KFQDBVJJMWCWIF-JOCHJYFZSA-N 361.441 4.901 0 1 FJAF C[C@@]1(c2cnn(Cc3ccccc3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517314 KRUDSUCWMQWCMU-DEOSSOPVSA-N 372.468 4.691 0 1 FJAF CC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587733803 SLKCZWNSESFTOY-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc(F)c2)N1 587734818 WDAQWPJBGJJLRK-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cc[nH]c23)N1 587800514 BEYQJYAEYYIJKF-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF COc1cccc(C2(c3nc4c(F)c(F)c(F)c(F)c4[nH]3)CCCC2)c1 587932041 VCJQJUQDALYIAN-UHFFFAOYSA-N 364.342 4.988 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)c1 587933240 VSURIIHVYCRJCT-UHFFFAOYSA-N 358.397 4.814 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc(OC)c(OC)cc4[nH]3)ccc2c1 587933973 CFEOYVPJQXMGLQ-CYBMUJFWSA-N 362.429 4.894 0 1 FJAF Fc1cccc2c1[C@H](c1ccc(OCc3ccccn3)cc1)N1CCC[C@@H]1C2 963099492 AGVVFGLDPYXFRA-YKSBVNFPSA-N 374.459 4.910 0 1 FJAF CC1(C)CCC[C@]2(C)[C@@H]3C[C@H](O)[C@@]4(C)[C@@H]5C(=CC[C@@H]4[C@@H]3CC[C@H]12)CO[C@@H]5O 2356317372 KWFVQHWNVZGEIL-YLGIUDOGSA-N 374.565 4.527 0 1 FJAF CCOC(=O)COc1cc(C)c(Cc2ccc(O)c(C(C)C)c2)c(C)c1 2382248723 DNNBNKZXTISBCG-UHFFFAOYSA-N 356.462 4.665 0 1 FJAF CCCNC(=O)[C@@]1(C)CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 61926133 TWVDHQNCTXKYDS-QHCPKHFHSA-N 366.505 4.607 0 3 FJAF Cc1ccc(CSc2ncnc3c(Cc4ccc(C)cc4)ncn23)cc1 27106971 UISZCXJPYNOCRD-UHFFFAOYSA-N 360.486 4.624 0 1 FJAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(O)c5nocc5C[C@]4(C)[C@H]3CC[C@]12C 31829860 DTHAAQPVIGTNAJ-GYSWFXTRSA-N 371.477 4.674 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]21)C[C@@H]4C(=O)O 32022346 ZKXLEDOCSSUHKY-JGAQBGERSA-N 362.510 4.663 0 1 FJAF endogenous,in-man C[C@@]1(c2cccc(Br)c2)ON=C(c2cccc(Cl)c2)O1 40835607 IJWYXWBOZMLPQC-HNNXBMFYSA-N 352.615 4.684 0 1 FJAF O=C(c1ccc(NCCn2ccnc2)cc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 64559349 JVLXRJJBDSBUJQ-UXHICEINSA-N 365.864 4.635 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccco1 72181346 QVWRVFIQBNBKHT-MHMIHQHRSA-N 352.474 4.815 0 1 FJAF CN(C(=O)c1cncnc1Oc1cc(Cl)ccc1Cl)c1ccccc1 95579715 GUQKBJDWDABDLZ-UHFFFAOYSA-N 374.227 4.852 0 1 FJAF c1ccc([C@H]2CC3(N4CCCCC4)CNCC2[C@@H](c2ccccc2)C3)cc1 116203027 RDCZXFZEGOCFKG-ARIYZQMHSA-N 360.545 4.792 0 1 FJAF COc1cccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)c1 169309129 BSYSLYHIEAROBS-UHFFFAOYSA-N 366.364 4.505 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@H]3C[C@@]34CCc3ccccc34)nc12 586888690 XHABWULWCWOULL-PIGZYNQJSA-N 374.669 4.745 0 1 FJAF Fc1cc(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc(N2CCCC2)n1 587177226 DFLRXGVPMKTSES-UHFFFAOYSA-N 368.309 4.522 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1ccc(Cl)c(Cl)c1)O2 587372875 BAFGYYFXRGFJAA-SFHVURJKSA-N 350.245 4.851 0 1 FJAF COc1ccc([C@]2(c3ccccc3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404298 WJQAETTXBAOSLG-DEOSSOPVSA-N 373.452 4.803 0 1 FJAF COc1ccc2oc(C3CC3)c([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587412039 LRUSPCNHRRTFBJ-IBGZPJMESA-N 363.413 4.916 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3cccc(C)c3)c1)CC2=O 587475262 KTYBBNAQKXYSOA-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CC)c(O)c(CC)c1)CC2=O 587489015 MBFQMQYLAOKKHI-HXUWFJFHSA-N 354.446 4.882 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3ncnc(Cl)c3s1)CC2=O 587494915 MKDVALWXEBZBNI-CQSZACIVSA-N 374.849 4.709 0 1 FJAF CC(C)(C[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587508385 ASBMTBDOSWDTSU-HNNXBMFYSA-N 373.493 4.593 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587557659 OGCLQQLPWGONSN-IERDGZPVSA-N 368.335 4.682 0 1 FJAF CC(C)COc1cccc(OCc2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587565450 ARIQDZMPRMOULB-UHFFFAOYSA-N 353.466 4.869 0 1 FJAF C[C@]1(c2ccc3c(c2)CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600337 ANXZMZPEGNPQRM-XUZZJYLKSA-N 372.420 4.758 0 1 FJAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603909 SHUJAUZYKIEOIT-NFBKMPQASA-N 360.409 4.832 0 1 FJAF CCOC(=O)c1c(CNC(=O)OC(C)(C)C)[nH]c2ccc([C@H](C)CC)cc12 587642732 OMWOABFCHFKQIB-CYBMUJFWSA-N 374.481 4.883 0 1 FJAF CCc1ccc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587832217 ZWMQQOBEIPEFNZ-BMLIUANNSA-N 352.247 4.541 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c1 587930375 AMLUOAUXKWDHQL-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF CO[C@@]1(c2cc(O)ccc2O)C=C(CCC=C(C)CCC=C(C)C)C(=O)O1 2356425078 FCRKCTMVNYZRSA-QFIPXVFZSA-N 372.461 4.853 0 1 FJAF COC(=O)C(C)=CCC[C@H](C)[C@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356814545 CIOTYZFASUOYQU-HEHGZKQESA-N 360.450 4.607 0 1 FJAF Clc1cnc2[nH]c(CCCOc3ccc(Cl)c(Cl)c3)nc2c1 2382253723 SJVAVVWEOTXJQQ-UHFFFAOYSA-N 356.640 4.930 0 1 FJAF CCCC[C@@H]1CCCO[C@@](C(=O)NCc2ccc(C)o2)(C(F)(F)F)C1 13829015 CEAQBPUGPJBYKN-PBHICJAKSA-N 361.404 4.512 0 3 FJAF CCOc1cccc(-c2onc(-c3ccccc3F)c2C(=O)NC(C)C)c1 775377 VSJUPOYQSHNUIP-UHFFFAOYSA-N 368.408 4.685 0 1 FJAF O=C1Nc2ccc(Cl)cc2[C@](OCc2ccccc2)(C(F)(F)F)O1 6580229 AJHHHELOAOLGAL-OAHLLOKOSA-N 357.715 4.834 0 1 FJAF CC(=O)O[C@H]1[C@H]2C(C)(C)CCC[C@@]2(C)c2cc(O)c(C(C)C)cc2[C@H]1O 13302588 AMKZEPMOTWRTSJ-JBPLPALLSA-N 360.494 4.578 0 1 FJAF biogenic COc1ccccc1C1CCN(C[C@H]2CCc3ccccc3C(=O)C2)CC1 13488323 CDERSZAVJZTQTD-SFHVURJKSA-N 363.501 4.710 0 1 FJAF COc1ccc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@@H]2C)cc1OC 14488316 HSMDOSKNXLVXIP-GETUCHRZSA-N 356.418 4.517 0 1 FJAF O=C(O)CCCCC[S@](=O)c1ccc(CCCc2ccccc2)s1 26946091 HNMHTJRXMDQBTH-XMMPIXPASA-N 364.532 4.676 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3ncc(C)cc3Cl)c(C)nn12 28367043 DAGQAQDPJWZGOR-UHFFFAOYSA-N 371.916 4.996 0 1 FJAF c1ccc([C@@H]2CN(CCc3ccccn3)Cc3c2[nH]c2ccccc32)cc1 29489248 BYEGRTMNNPHEQN-NRFANRHFSA-N 353.469 4.753 0 1 FJAF O=C(Nc1ccc(F)c(Cl)c1)c1cccc2c1C(=O)c1ccccc1-2 59185443 DBOGICIRPXCNDA-UHFFFAOYSA-N 351.764 4.943 0 1 FJAF CCCCCCCN=C1CC(C)(C)[C@H](C(=O)OC)C(O)=C1C(=O)CCC 70666005 PBVPIPJBGAESIG-SFHVURJKSA-N 365.514 4.798 0 1 FJAF biogenic CCCCOCCCNc1cc(-c2ccc(C(F)(F)F)cc2)ncn1 82161388 NAHLQMNDDTYPAB-UHFFFAOYSA-N 353.388 4.781 0 1 FJAF O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(F)c(F)c(F)c1 95589117 CEZFZPDBIFSONM-UHFFFAOYSA-N 350.218 4.647 0 1 FJAF Clc1cc(Cl)cc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c1 96271423 BVGYCFCMPFGLKL-UHFFFAOYSA-N 374.227 4.791 0 1 FJAF Oc1nc(NCc2ccccc2)c2nc(-c3ccc(C4CCC4)cc3)nc-2[nH]1 586881273 SEOSEOCDUDZCCQ-UHFFFAOYSA-N 371.444 4.557 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccc(OC)nc4[nH]3)c(F)c2)c(F)c1 587150745 DZKPDJYCRBYJJG-UHFFFAOYSA-N 367.355 4.587 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc3ncccc3c2[nH]1)C(C)(C)C 587205872 URZBWRMMXSCPRE-MRXNPFEDSA-N 368.481 4.593 0 1 FJAF CCc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587359415 YOLDFYYQRHPSGV-UNMCSNQZSA-N 366.388 4.961 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCC[C@H]1c1ccc(Cl)cc1)[C@@H](C2)C3=O 587423572 VYWRMIDCLDXCGN-FIKGOQFSSA-N 354.833 4.803 0 1 FJAF CCOC(=O)C[C@]1(CC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587527204 WQKFTJRXTXWUMV-QFIPXVFZSA-N 358.478 4.659 0 1 FJAF Cc1ccc(F)c([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587559099 VYHQMYXLSGUTOA-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF CC[C@H](C)[C@@H]1CC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587600964 CGOIERNJZJTDCP-YJHYTUISSA-N 352.430 4.939 0 1 FJAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1cccc(Cl)c1 587627720 ACRGKHZYKYVFRP-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccn(C)c3c2)N1 587758554 QRHFWXDQDQFCJX-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF CCC[C@]1(c2ccccn2)N[C@H](C)Cc2cc(Br)c(F)cc21 587767833 BGJSTDTWDMBBMM-XIKOKIGWSA-N 363.274 4.561 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587823852 WVGPXXQTNKCYPT-APPDUMDISA-N 364.258 4.534 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(Cl)cncc1Cl 587871543 ZBXQXBVYHNNBKF-UHFFFAOYSA-N 352.196 4.779 0 1 FJAF COc1ccc2[nH]c(-c3ccc(-c4ccc(OC)c(OC)c4)cc3)nc2c1 587928265 ABQSOCNUTYMQFP-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF COc1ccc(/C=C/Cc2nc3c(Cl)c(Cl)cnc3[nH]2)c(OC)c1 587928700 HMTZECWSRRGCJF-ONEGZZNKSA-N 364.232 4.538 0 1 FJAF O=N[C@@H](COc1cc(F)cc(F)c1)n1c(O)cc(C2CCCCC2)c1O 587946253 VCGFBVUFZPLPFX-MRXNPFEDSA-N 366.364 4.569 0 1 FJAF CCOc1c(F)cc([C@]2(C)NCCc3cccc(Cl)c32)cc1Cl 963382059 ZOXZFLNIBLKDNH-SFHVURJKSA-N 354.252 4.940 0 1 FJAF CC(=O)[C@@]1(C(=O)c2ccccc2)N=Nc2sc3c(c2C1=O)CCCCC3 1857754225 ACGJAKWNXFOAGJ-FQEVSTJZSA-N 366.442 4.508 0 1 FJAF CC(=O)Nc1cc(Nc2ccc(F)c(C3CC3)c2)c2cc(C(=O)O)[nH]c2c1 2382249004 ISKGDINYSCSGQV-UHFFFAOYSA-N 367.380 4.585 0 1 FJAF CC(C)c1ccc([C@@H]2O[C@H](CCc3ccccc3)Cc3[nH]nc(O)c32)cc1 95567124 QJBAJGYEEPMJAZ-KNQAVFIVSA-N 362.473 4.902 0 3 FJAF O=C(O)c1nc(-c2ccc(Cl)c(Cl)c2)nc2ccc(Cl)cc12 1618647 JFFWBKRQLHSFHM-UHFFFAOYSA-N 353.592 4.955 0 1 FJAF COc1cc(C)nc2ccc(NC(=O)/C=C/c3ccccc3Cl)cc12 13448057 BEQAHAYZXLYPLS-JXMROGBWSA-N 352.821 4.857 0 1 FJAF Clc1cc(Cl)c(Cl)c(-c2nc(CN3CCOCC3)cs2)c1 40393722 GKKJNPRWHPRFSN-UHFFFAOYSA-N 363.697 4.603 0 1 FJAF O=c1cc(N2CCOCC2)c2ccc(-c3cc4ccccc4s3)cc2o1 49793473 DKTTXOXLDCMYEF-UHFFFAOYSA-N 363.438 4.511 0 1 FJAF COc1ccc(-c2cccc(N(C)C(=O)Cc3cccc(OC)c3)c2)cc1 66099605 ZWXVMXQZTHCNOA-UHFFFAOYSA-N 361.441 4.576 0 1 FJAF c1ccc(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 103229506 DZTIFSFZEQLBLH-UHFFFAOYSA-N 356.513 4.636 0 1 FJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1OC 103232704 SQCQHTGZCGDGSR-JOCHJYFZSA-N 360.409 4.820 0 1 FJAF Cc1sc(C(=O)CCc2ccc(OCCO)cc2)c2c1[C@H]1[C@@H](C2)C1(C)C 103234959 YHHSIONBACSDEW-YLJYHZDGSA-N 370.514 4.539 0 1 FJAF Clc1ccc(CN2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1Cl 114336866 YEQSMZIHQJMAEK-OAHLLOKOSA-N 361.276 4.556 0 1 FJAF C[C@]12C=C[C@@]3(CC[C@H]4[C@@](C)(CCC[C@@]4(C)COC(=O)CC(=O)O)[C@H]3CC1)C2 238748654 YMGYBMUUOZDPEB-QKIVABDASA-N 374.521 4.973 0 1 FJAF CC(C)(C)c1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2n1 587005031 JVHWAAVUHVWVSG-UHFFFAOYSA-N 365.662 4.733 0 1 FJAF CCOC(=O)Cc1ccc2nc(C3(Cc4ccc(Cl)cc4)CC3)[nH]c2c1 587073783 MYEFBIOZBAFMFF-UHFFFAOYSA-N 368.864 4.596 0 1 FJAF Cc1ccc2c3c(cc(-c4[nH]nc5ncccc45)nc13)-c1ccccc1C2=O 587098516 YTQQHVGGEJHMIL-UHFFFAOYSA-N 362.392 4.693 0 1 FJAF CC(=O)c1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587105716 FZZIIHNYNVXDTG-UHFFFAOYSA-N 350.377 4.711 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)c(F)cc2[nH]1 587151740 VLMXJUGWPRWSMT-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158594 PFFRDUPTUJYLFF-HXUWFJFHSA-N 374.375 4.572 0 1 FJAF COc1cc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2cc1C 587244976 UCRSECMJLWDLHY-UHFFFAOYSA-N 357.413 4.799 0 1 FJAF O=C1C[C@]2(CSCc3c(F)cccc32)Oc2c1ccc1c2CCCC1 587503095 CJQFHSCEXZAPCN-OAQYLSRUSA-N 354.446 4.812 0 1 FJAF CCn1ccnc1[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587511538 HLEUWKKKONYDSU-DEOSSOPVSA-N 372.468 4.691 0 1 FJAF O=C1C[C@@H](c2c[nH]nc2-c2cccs2)Oc2c1ccc1c2CCCC1 587530232 DGZPIVCVGMHZLJ-KRWDZBQOSA-N 350.443 4.724 0 1 FJAF C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530478 CIGPYQTYESQCIS-LHSJRXKWSA-N 364.441 4.507 0 1 FJAF O=C1C[C@H](c2cnc(-c3ccncc3)s2)Oc2c1ccc1c2CCCC1 587535190 JENHVSQHHTUXGC-GOSISDBHSA-N 362.454 4.790 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)sc1C 587613975 QKSWPBJDSCNKEE-PXNSSMCTSA-N 352.411 4.773 0 1 FJAF O=c1c2cc(Cl)ccc2cnn1-c1ccc(C(F)(F)F)cc1Cl 587652225 YRFAQTKRFUIDRO-UHFFFAOYSA-N 359.134 4.711 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3c2ccn3C)N1 587760623 ZKWSCTCYRXAJQE-NSPYISDASA-N 373.269 4.704 0 1 FJAF Cc1ccc(OC[C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1 587802028 PECXGJZNARUXLZ-XIKOKIGWSA-N 364.258 4.551 0 1 FJAF COc1cccc(C)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587810050 WFCSTDUXLQISNY-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2Cc3ccccc3C2)N1 587823104 OHASXTYZSJBRKU-JEOXALJRSA-N 360.270 4.579 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824123 UQZRXMKPQVATHI-ASNKJTAVSA-N 374.297 4.948 0 1 FJAF COC(=O)c1cccc2nc([C@@H](c3ccccc3)c3ccc(OC)cc3)[nH]c12 587938648 YBIDQBFLKRQUDN-FQEVSTJZSA-N 372.424 4.538 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(CCc2ccc(O)c(OC)c2)N1 962963347 ZASXEYGAROWRLE-HJPURHCSSA-N 364.489 4.654 0 1 FJAF Cc1cc(=O)oc2cc(OCCCCCCCCn3ccnc3)ccc12 1857648860 OPJHRADBNBNRLR-UHFFFAOYSA-N 354.450 4.718 0 1 FJAF COc1cc(Cl)c(OC)c(N=c2[nH]c(-c3ccc(C)cc3)cs2)c1 1857751843 UKKKIWAAWIDKQW-UHFFFAOYSA-N 360.866 4.955 0 1 FJAF CC(C)c1ccc(N2C(=O)CS[C@H]2c2ccc3cccc(O)c3n2)cc1 2382241632 RWZUGYJMXZBVTD-NRFANRHFSA-N 364.470 4.842 0 1 FJAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)N(C)C)cc1 769111 QIBDNAUYLWUMDY-ICSRJNTNSA-N 370.880 4.643 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@@H]2OC 14774446 VZMATVDJEYJHLC-WJONJSRFSA-N 360.494 4.878 0 1 FJAF biogenic CCN(CC)C[C@@H]1C[C@H]2CC[C@@H]1N(c1ccnc3cc(Cl)ccc13)C2 28873454 TXNFYPIAXHMYBE-GUXCAODWSA-N 357.929 4.835 0 1 FJAF CCc1ccc(-c2sc(N)nc2-c2cc(OC)c(OC)c(OC)c2)cc1 72108706 JNRATHZLJKXNCF-UHFFFAOYSA-N 370.474 4.648 0 1 FJAF Clc1ccc(CNCCCNc2nc3ccccc3o2)cc1Cl 84596878 HUNAFVOHQZXCIW-UHFFFAOYSA-N 350.249 4.726 0 1 FJAF CNc1ccc(-c2cc3cc(OCCOCCOCC[18F])ccc3o2)cc1 102887239 MXLPXNGSUJCKMW-KVTPGWOSSA-N 372.427 4.523 0 1 FJAF Oc1c(Br)ccc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587027312 BEKUCARKNWNZPS-UHFFFAOYSA-N 372.247 4.822 0 1 FJAF CN1CCC[C@@H]1[C@@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103744 AHURWBDGJYFXCK-LAUBAEHRSA-N 368.480 4.960 0 1 FJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc5ccccc5cc4[nH]3)cc2N1 587126113 VHQVJYZGCYGGPQ-QFYYESIMSA-N 371.366 4.887 0 1 FJAF Fc1ccc(S)cc1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587140684 IQURCLBEKCUGBD-UHFFFAOYSA-N 363.286 4.707 0 1 FJAF COc1cc2c3c(c1)O[C@]1(c4cc(Cl)ccc4SC[C@H]1C)[C@@H](C2)C3=O 587451751 KJFJYHZMMQCNLN-PGASGAKPSA-N 372.873 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)c(C)nn1CCC)CC2=O 587460532 GXHODFJCRZJGFN-INIZCTEOSA-N 362.857 4.620 0 1 FJAF Cc1cc(C)cc(OCc2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c1 587565155 YYLGKMQPHMRYAS-UHFFFAOYSA-N 371.309 4.808 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587814980 XHIOODGWOXUXKN-ZSSDLHNXSA-N 370.306 4.589 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](C)(C[C@H](C)NC(=O)OC(C)(C)C)N1 962953956 WZHHLXGLKYPSSA-KIMHZCHSSA-N 371.525 4.611 0 1 FJAF CN1C(=O)C[C@H]2CN[C@@](c3ccsc3)(C3CCCCC3)c3cccc1c32 963020274 FAMLDADSYFPFAG-OYHNWAKOSA-N 366.530 4.625 0 1 FJAF Cc1cc(-c2cc(OC(F)(F)F)ccc2F)ccc1OCCCC(=O)O 1772621694 NIWINBARFFCWGP-UHFFFAOYSA-N 372.314 4.943 0 1 FJAF CC(C)CCN1CC[C@H]2CC(=O)[C@H](Cc3ccccc3)[C@H]3CCC[C@@H]1[C@H]23 1772654765 QMLUYEUSWGRVSP-YWCCWUOUSA-N 353.550 4.971 0 1 FJAF COC(=O)[C@]1(C)CCCC2=C1CC[C@H](C)[C@]21C[C@H](c2ccoc2)CC1=O 2356584578 KELOXJWCNVNKDH-QMNBMJBWSA-N 356.462 4.802 0 1 FJAF CC(C)c1ccc(N2C(=O)CS[C@@H]2c2ccc3cccc(O)c3n2)cc1 2382241633 RWZUGYJMXZBVTD-OAQYLSRUSA-N 364.470 4.842 0 1 FJAF Cc1cc(C)cc(NC(=O)O[C@@H]2CC[C@@]34CCCN3C(=O)CCC[C@H]4C2)c1 205708141 BQIAPMBEMOJHMP-LRXVAGHRSA-N 370.493 4.566 0 3 FJAF CC(C)CNC(=O)c1c(C(C)(C)C)noc1-c1ccc(Cl)cc1F 776344 BOYWQWPCMKNYFF-UHFFFAOYSA-N 352.837 4.817 0 1 FJAF C/C=C(\C)C[C@H](C)[C@H](O)[C@@H](C)C(=O)[C@@H](C)/C=C(C)/C=C/C[C@@H](C)C(=O)O 13434479 SVBYZDJRYNOEIV-FZABUTLRSA-N 364.526 4.794 0 1 FJAF CCC1(CC)C(=O)N(COC(=O)c2ccccc2)[C@@H]1Sc1ccccc1 26010871 KOGSPVZQJQEUOJ-HXUWFJFHSA-N 369.486 4.568 0 1 FJAF Cc1ccc2c(c1)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1C2 27211145 FNTXWAUSISDDFW-UHFFFAOYSA-N 370.283 4.976 0 1 FJAF CSc1nc(NCc2ccccc2)c2cnn(/C=C\c3ccccc3)c2n1 28569815 GCIPOCNRQRDYHX-SEYXRHQNSA-N 373.485 4.788 0 1 FJAF C/C1=C/[C@@H](O)C(C)(C)CCC/C(C)=C/C[C@H]1OC(=O)c1ccc(O)cc1 33423942 JDZBITULCWBIMC-ZAKWIYLKSA-N 358.478 4.771 0 1 FJAF CCn1c(=S)sc2c(NC(=O)Nc3ccc(Cl)cc3)ncnc21 45299645 DGDVZEOICIKFFK-UHFFFAOYSA-N 365.871 4.540 0 1 FJAF CCCCCn1c(CN)c(-c2ccccc2)c2cc(Cl)ccc2c1=O 72106749 TWMKFGSUBGDNIH-UHFFFAOYSA-N 354.881 4.971 0 1 FJAF NC(=O)c1ccccc1Nc1cccc(OCCc2ccccc2Cl)c1 95578917 VITIKAJJWSNJMZ-UHFFFAOYSA-N 366.848 4.804 0 1 FJAF COc1cccc(NC(=O)c2ccc(-c3cccc(OC)c3F)s2)c1 95582184 BPAIVDHKICDNOV-UHFFFAOYSA-N 357.406 4.824 0 1 FJAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3nccc4ccccc34)C2)cc1 96172925 JRSRPJLSFTZEMN-MRXNPFEDSA-N 360.457 4.585 0 1 FJAF CC(=O)NCCCN1c2ccc(C)cc2Sc2cc3ccccc3nc21 96905664 UNRPTSDUYPSIIL-UHFFFAOYSA-N 363.486 4.672 0 1 FJAF COc1ccc(CN(CCc2ccccc2)Cc2ccc(F)cc2)cc1O 103279030 NPOUBCMWTSCDDL-UHFFFAOYSA-N 365.448 4.785 0 1 FJAF COc1ccc2c(c1)C(=O)[C@@]1(CCCCN1CCc1ccccc1C)CC2 140513668 LJLFTHYVLKKHHP-XMMPIXPASA-N 363.501 4.600 0 1 FJAF Cc1ccccc1CNc1cc2c(cc1O)[C@H](c1ccccc1)CN(C)CC2 299827583 GMNXWFJVOXRYKI-QHCPKHFHSA-N 372.512 4.933 0 1 FJAF Oc1ccccc1C1(c2nc3cccc(OCc4ccccc4)c3[nH]2)CC1 586897192 TVWPDJSTQGBJCS-UHFFFAOYSA-N 356.425 4.927 0 1 FJAF Oc1ccc(-c2cccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2)cc1 586899163 XIOLIVSIVMBZNS-UHFFFAOYSA-N 370.387 4.927 0 1 FJAF Fc1cc2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2cc1C(F)(F)F 587016252 ILDQMXQWXPUOJL-GFCCVEGCSA-N 357.332 4.696 0 1 FJAF Cc1cc(Br)cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c12 587059835 ZFWMIGWSDOKYJI-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccc(OCCN(C)C)cc2[nH]1 587067691 LAPHTKHDGMECCX-CQSZACIVSA-N 373.884 4.605 0 1 FJAF Fc1ccc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2c1Br 587115542 OZMLIGYKGCGQFH-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Fc1ccc(/C=C(/c2nc3nc(Cl)c[nH]c-3n2)c2cccs2)cc1 587163007 FKIJDWUUYPEWLQ-XYOKQWHBSA-N 356.813 4.747 0 1 FJAF C[C@@H]1c2ccccc2C[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587356058 YYQWPSRTYFKAES-FUEHQLCJSA-N 374.411 4.989 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(C(F)(F)C(F)(F)F)O2 587381485 JPUAAZMSANFLCW-MRXNPFEDSA-N 371.305 4.636 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCCC(C)C 587400756 OCWGVKUXMJZWAK-FQEVSTJZSA-N 369.461 4.717 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sccc1NC(=O)OC(C)(C)C)O2 587411806 WDTWZYUHMWRIJU-HNNXBMFYSA-N 374.462 4.692 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(C)cc1)(c1ccccn1)CC2=O 587486451 BWCZGLCJRKNXAM-XMMPIXPASA-N 373.452 4.957 0 1 FJAF O=C(O)c1cc(Cl)cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501690 PYGYBONPKGIPBT-GOSISDBHSA-N 356.805 4.624 0 1 FJAF Cc1[nH]c2c(C)cc(Cl)cc2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587627401 UXVFABYNDVYPGY-OAHLLOKOSA-N 364.873 4.747 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(CCNC(=O)OC(C)(C)C)c(C(=O)OC)c2c1 587642254 KNFXAPKRWWNZNW-CYBMUJFWSA-N 374.481 4.535 0 1 FJAF Cc1ccc(F)c([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587714883 GHSMVIKCMQEMDG-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2nccc3ccccc23)N1 587774302 MDAZOWAPFHNXIV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cc[nH]c23)N1 587803469 QAFIKCDLBCDQHO-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CC(C)(C)CCC2=O)N1 587819164 GXINEFXPHWFFHL-OMXAPOSASA-N 368.290 4.559 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccc(OC)c(C(C)C)c1)N(C)[C@H](C)C2 962636098 XWVXBHLHUANMHX-IQMFZBJNSA-N 369.505 4.802 0 1 FJAF Cc1ccc([C@@H]2c3ccccc3C[C@@H]3CN(c4ccccc4)CCN32)cc1F 962636854 JGFIEYJHLPXUCO-RCZVLFRGSA-N 372.487 4.970 0 1 FJAF CCCCCSc1nnc(COc2cc(C)c3c(C)cc(=O)oc3c2)o1 1857656552 PFWWPKSOXPNVJE-UHFFFAOYSA-N 374.462 4.654 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3ccc4cccnc4c3)nc2c1 1911581574 KKRGSVSMGKTECI-VWLOTQADSA-N 352.330 4.613 0 1 FJAF C[C@H](O)C=CCC=CC[C@H](O)C=CC=CCC=CCCCCCC(=O)O 2356340147 INESDRVMAJDUCT-LEWJYISDSA-N 362.510 4.715 0 1 FJAF COc1cccc([C@@H](C)NC(=O)c2ccc3c(c2)O[C@H](C)c2cnccc2-3)c1 2382241754 MZBLKPUSLVWLBU-HUUCEWRRSA-N 374.440 4.702 0 1 FJAF Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)[C@H]1[C@@H]2c1ccccc1 8672148 QIEXRHSKXRPESV-VXKWHMMOSA-N 355.441 4.903 0 1 FJAF Cc1cccc2c([C@@H](O)[C@@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 27523640 PAZWBPKSOQPBME-SIKLNZKXSA-N 350.437 4.525 0 1 FJAF Fc1ccc2c(c1)CNc1c(Nc3ccc(F)c(Cl)c3)ncnc1O2 28571126 SBGSTANUSUBCFW-UHFFFAOYSA-N 360.751 4.870 0 1 FJAF CCCCCNC(=O)[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O)cc1 28757199 XWPXINWQBMPKIX-RTWAWAEBSA-N 355.478 4.682 0 1 FJAF O=C(O)c1sc(-c2ccccc2)cc1-c1cc(=O)[nH]nc1-c1ccccc1 58494217 UJEFEATWPQHCPH-UHFFFAOYSA-N 374.421 4.531 0 1 FJAF O=C(O)C[C@@H](CC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 72118657 HYWQLQSKSZZSAJ-GFCCVEGCSA-N 352.217 4.581 0 1 FJAF Cc1cccc(-c2nc(NCc3ccc(C)o3)ncc2-c2ncc(C)o2)c1 82167415 AOTGNEZXYDDYJF-UHFFFAOYSA-N 360.417 4.929 0 1 FJAF Cc1nn(Cc2c(Cl)cccc2Cl)c2cc(CCC(=O)O)ccc12 200942107 BULHKEFXUJOWAE-UHFFFAOYSA-N 363.244 4.717 0 1 FJAF C=C/C(C)=C\C[C@]1(C(=O)O)[C@H]2CCC=C(C)[C@]2(C)[C@@H](OC(C)=O)C[C@H]1C 238752246 FYPQSDLATSBJTO-MOAADMRZSA-N 360.494 4.914 0 1 FJAF O=C(O)c1ccccc1/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586878321 CMWCZPVYGLBYKL-WAYWQWQTSA-N 350.271 4.589 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3nc(Cl)ccc3[nH]2)cc1 586878884 KKVJEIBFWZLGCZ-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)cc(F)c2[nH]1 587012201 PLTYVOKHOJXYMT-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF N[C@H](N=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587077353 VMOWNLHDHXWGMI-GOSISDBHSA-N 363.808 4.669 0 1 FJAF Clc1nc(-c2nc3ccc(Br)nc3[nH]2)cc2ccccc12 587085753 FVCYBWZBLTYLIM-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Cc1cc(C(=O)Nc2cccc(-c3cc4c5c(cccc5n3)CC4)c2)no1 587213219 PJOBIUBLAZGIMX-UHFFFAOYSA-N 355.397 4.549 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(C)c(Br)c1)O2 587378598 WAUBZLYRXINZNV-SFHVURJKSA-N 360.251 4.529 0 1 FJAF Cc1nc(O)c(Cl)cc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587505290 ZNZWYPRWSVCOQS-FQEVSTJZSA-N 357.837 4.508 0 1 FJAF O=C1C[C@@H](c2cccc(Oc3cnccn3)c2)Oc2c1ccc1c2CCCC1 587513594 DEDYFYHKGWPIHE-NRFANRHFSA-N 372.424 4.854 0 1 FJAF CC[C@@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604859 ZNNHWWVVWUXCFJ-OFNKIYASSA-N 360.409 4.968 0 1 FJAF Cc1cc(Cl)cc2c(-c3cnn(-c4ccccc4)c3)c(C(=O)O)[nH]c12 587627481 XZLWROWATOBDNH-UHFFFAOYSA-N 351.793 4.681 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(-c3nc(C4CC4)cc(C(F)(F)F)n3)n1)O2 587874286 SXOVHFQORNKSFF-UHFFFAOYSA-N 362.286 4.470 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4cc(F)c(C)cc4[nH]3)cc2)c1 587933041 UDDMSDCMIWYBRI-UHFFFAOYSA-N 360.388 4.917 0 1 FJAF COc1cc2oc(-c3ccccc3)cc(=O)c2c(O)c1-c1ccsc1 653808057 GFOCNJHGAYZXFF-UHFFFAOYSA-N 350.395 4.903 0 1 FJAF CCCCCn1c(C(=O)NC23CC4CC(CC(C4)C2)C3)cc2ncccc21 1857603285 FNPJRRHCALYXAH-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF CC[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)[C@@H](N)C[C@]4(C)[C@H]3CC[C@]12C 1857623969 ZSSPHCDGLYDLSV-CTJUJICTSA-N 359.554 4.844 0 1 FJAF CCOC(=O)Cc1c(-c2cccc(Cl)c2)nc2c3ccccc3ccn12 95566494 DQOVJQLKPNGKLC-UHFFFAOYSA-N 364.832 4.914 0 3 FJAF CCCN(CCC)c1nc(C)nc2c(-c3cccc(Cl)c3)n(C)nc12 13445072 OXXFXHIBUKZYFI-UHFFFAOYSA-N 357.889 4.619 0 1 FJAF COc1ccc(C2=C(c3ccc(S(C)(=O)=O)cc3)CC3(CC3)C2)cc1F 13745529 BEOGCILHKFFOIQ-UHFFFAOYSA-N 372.461 4.723 0 1 FJAF CN(C(=O)Cc1cccc2occc12)[C@@H]1CCCC[C@H]1N1CCCCCC1 27900002 PHOJLRJBEDGGBH-NHCUHLMSSA-N 368.521 4.621 0 1 FJAF COc1ccc(/C=C(/CN2CCCC[C@H]2C)c2ccc(O)cc2)cc1OC 28565501 QTJQUKYSKDRPQH-LCJWNIEWSA-N 367.489 4.824 0 1 FJAF CCc1ccc(-n2c(=O)oc3ccc(Br)cc3c2=S)cc1 64559128 OWBOUWPYFHXWHY-UHFFFAOYSA-N 362.248 4.638 0 1 FJAF Cc1nc(-c2cnc(N3CCCC3)nc2-c2ccccc2F)sc1C 82175504 AYLPVUAKYDXWOY-UHFFFAOYSA-N 354.454 4.623 0 1 FJAF Cc1cccc(/C(=C2\C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)c1 84732312 HUZASWYVHNVIPP-QZQOTICOSA-N 351.409 4.783 0 1 FJAF CCN(CC)CCOC(=O)c1ccccc1Sc1ccc(Cl)cc1 96908932 UNOFGQWDNLJPIO-UHFFFAOYSA-N 363.910 4.990 0 1 FJAF CC(C)NC1C[C@@H]2CC[C@H](C1)N2c1n[nH]c2scc(-c3ccccc3)c12 147585745 KVKKSKOYUUQLEP-ALOPSCKCSA-N 366.534 4.789 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(OC)C1 238735096 HTOGWGIDXDORHJ-ZKMOHVOUSA-N 360.494 4.933 0 1 FJAF Cc1c(Br)cc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1C 586916661 QFVOAGXPAOGNDP-UHFFFAOYSA-N 369.218 4.716 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H](c1cccnc1)CC3 586988646 UMXVBBVUSQVUML-AWEZNQCLSA-N 364.404 4.625 0 1 FJAF Cc1cc2[nH]c(C(C)(C)Oc3ccc(Br)cc3)nc2c(C)n1 586996459 PZAFMMDWUVVFSL-UHFFFAOYSA-N 360.255 4.651 0 1 FJAF Clc1cccc(Cl)c1[C@@H]1C[C@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587052130 WRCQMSRXAWQJDS-NXEZZACHSA-N 361.228 4.912 0 1 FJAF FC(F)(F)c1cc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2cn1 587062688 IWHVPKQLBHUOHB-UHFFFAOYSA-N 364.714 4.952 0 1 FJAF CCc1ccc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2c1 587077542 VYKQZWXXIOAFOI-UHFFFAOYSA-N 352.825 4.614 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)nn(C(C)C)c1C)CC2=O 587479031 XSYCJGSARGZUIX-OAQYLSRUSA-N 356.466 4.620 0 1 FJAF COc1cc(O)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587506533 NFLOJPQTLLHFQI-GOSISDBHSA-N 358.821 4.640 0 1 FJAF Cn1ccc(-c2cccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)n1 587515996 QCRFLHQKCBCWJP-QFIPXVFZSA-N 358.441 4.672 0 1 FJAF Cn1cc(-c2cccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2)cn1 587517400 MPDXXUOSVIXZKO-JOCHJYFZSA-N 358.441 4.672 0 1 FJAF CCCC[C@@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525629 QOAKWHKGCQIMRG-AVRDEDQJSA-N 358.478 4.659 0 1 FJAF CC(C)c1c(-c2ccccn2)[nH]c2c1c(Br)cc1n[nH]cc12 587623616 JXRDHJOBXZSNOV-UHFFFAOYSA-N 355.239 4.992 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccccc1Cl 587656256 DKENQYDFVOGFAV-UHFFFAOYSA-N 364.807 4.904 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)cc(F)cc2F)N1 587719597 LJKVINMBUWIVIL-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF Cc1cccc(OC[C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803805 XZUMMZXASOMMKK-BLLLJJGKSA-N 364.258 4.551 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@@H]2CCc3ccccc32)N1 587822555 LFZVKFDRWNNBPW-PRIMNGNOSA-N 360.270 4.894 0 1 FJAF COc1cc2nc(-c3ccc(-c4ccccc4OC)cc3)[nH]c2cc1OC 587933122 UFBFJWLLUICXMG-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF Cc1sc2c(c1C)CCN[C@H]2C[C@@H](CC(C)C)NC(=O)OC(C)(C)C 963015263 WRZZQRHKALCBOB-WBVHZDCISA-N 366.571 4.881 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963098666 IYNHDSYHQGRXIF-MBSDFSHPSA-N 361.464 4.510 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCCc1c2[nH]c2cc(N)ccc12 963229667 OSXMTUJZLRITGS-FYSMJZIKSA-N 359.517 4.987 0 1 FJAF CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1ccc2c(c1)CCO2 1772581119 JSOMRVZDFPZMRJ-NSCUHMNNSA-N 365.370 4.925 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2c(OC)cc(C)cc21 1857603938 UGNHQQVPSJWBIH-UHFFFAOYSA-N 372.468 4.657 0 1 FJAF CC(C)NC(=O)c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1 1857774649 WDKNGDWDRAAAPC-ONEGZZNKSA-N 359.429 4.578 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@H]12 2356497247 HLYBLRRKNWNJDY-CSXOBJGKSA-N 374.477 4.679 0 1 FJAF COC(OC)[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@H]2CC[C@H]1C3 2356609682 JSICEBOYDITIFX-OFDJFVTCSA-N 364.526 4.719 0 1 FJAF CC[C@H](C)C[C@@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C 14587331 PBQNIVCBQWLBLF-LRDDRELGSA-N 355.438 4.560 0 1 FJAF biogenic,in-vitro CCCc1ccc2[nH]c3c(c2c1)CCN[C@@H]3Cc1ccc(OC)c(OC)c1 26674937 ALCNGWSUVIHDOX-HXUWFJFHSA-N 364.489 4.567 0 1 FJAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)Nc1nc2ccccc2s1 28001360 BCDADXONZRNBFO-HNNXBMFYSA-N 360.866 4.536 0 1 FJAF O=C(NCCc1c(-c2ccccc2)[nH]c2ccc(Cl)cc12)C1CCC1 29220776 CKYSLUASXGFTIX-UHFFFAOYSA-N 352.865 4.947 0 1 FJAF CC(C)(C)c1ccc(Oc2cncc3sc(-c4nnn[nH]4)cc23)cc1 40979718 PCRUSTAWVUXCBH-UHFFFAOYSA-N 351.435 4.566 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCCCc3ccccc3)ncnc21 82180078 REBZMIXDYUMIEY-INIZCTEOSA-N 363.509 4.795 0 1 FJAF COc1ccc(CCN(C)CCn2c3ccccc3c3ccccc32)cc1 137009031 WKEHHSPGISWNNV-UHFFFAOYSA-N 358.485 4.978 0 1 FJAF COc1ccc([C@](C)(O)c2nc(-c3ccsc3)nc3ccccc23)cc1 299867035 PRNGGWHIGGUANO-NRFANRHFSA-N 362.454 4.623 0 1 FJAF OCCCCCCCCCCCc1nc2cc(Br)ncc2[nH]1 586894780 UUVCOTJRFGBVKZ-UHFFFAOYSA-N 368.319 4.766 0 1 FJAF Cn1cc2cccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)c2n1 587103812 BDGKUXWWDOLCQN-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc(Cl)cnc2[nH]1 587136100 CEJHRAWHWRTELN-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cccc(Br)c2[nH]1 587151642 UCFHSWSQUWLFSZ-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF Fc1ccc2[nH]cc(Cc3nc4cc(Br)c(F)cc4[nH]3)c2c1 587174277 FWLAXXAOASZGBW-UHFFFAOYSA-N 362.177 4.676 0 1 FJAF COc1ccccc1-c1nc2cccc3c2c(c1[C@@H]1CCC[C@H]1C(=O)O)CC3 587214585 SQQWXEVRHONQMT-HZPDHXFCSA-N 373.452 4.977 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cc(C(F)(F)F)ccc1F)[C@@H](C2)C3=O 587420311 JPERFEIYQHIHII-SCLBCKFNSA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3cc(F)ccc13)CC2=O 587469575 ATLHYYFJTMLKBZ-HXUWFJFHSA-N 353.393 4.682 0 1 FJAF CCOC(=O)C[C@@]1(CCC(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587522122 FZLXYYFWPAZFKS-JOCHJYFZSA-N 358.478 4.659 0 1 FJAF Cc1ccc2[nH]c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2c1 587586506 CNXPVPNSEXIUPL-OFNKIYASSA-N 371.392 4.885 0 1 FJAF CCc1cccc(C)c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602693 LBOWDNGLILMGGN-REWPJTCUSA-N 360.409 4.966 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(C)(C)OC(C)(C)C2)N1 587833271 MSKRSUWGQUCOFZ-NSHDSACASA-N 370.306 4.685 0 1 FJAF COc1cccc([C@H](C)Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587931224 MTUWKVLLDBDAAC-SNVBAGLBSA-N 363.230 4.819 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3cc(Br)cc(C)c3[nH]1)CC2 587935358 TXDWUINHTBHFQE-CYBMUJFWSA-N 371.278 4.915 0 1 FJAF COc1ccc(-c2ncc(C(F)(F)F)c3cc(OC)c(OC)cc23)cc1 621477872 SNFZWBQXWZCTRE-UHFFFAOYSA-N 363.335 4.946 0 1 FJAF CCC[C@H](Nc1nc(-c2ccc(O)c(OC)c2)ncc1C)c1cccnc1 1772633595 DUWSCYGRURLRRN-KRWDZBQOSA-N 364.449 4.515 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@H](O)CC(=O)O 2356532285 VSFCXUJTWJIBPN-CTAFRAEOSA-N 354.531 4.708 0 1 FJAF O=C1[C@H](n2cccc2)c2ccccc2N1Cc1ccc(C(F)(F)F)cc1 206025621 PSQHKVMBVDKXTR-GOSISDBHSA-N 356.347 4.643 0 3 FJAF O=C(COc1ccc(Cl)cc1C(=O)c1ccccc1)Cc1ccccc1 6579223 XLNQRNGTGMKKMT-UHFFFAOYSA-N 364.828 4.762 0 1 FJAF COc1cccc(C(=O)O[C@H](CCN(C)C)c2ccc(Cl)cc2)c1C 13684925 CCGBEOMIXLDOTG-LJQANCHMSA-N 361.869 4.507 0 1 FJAF CC1(C)c2cc(Cl)ccc2N[C@@H]2[C@@H]3Cc4ccccc4CN3CC[C@@H]21 26735317 PEDXWXZOKLYUIV-YYWHXJBOSA-N 352.909 4.859 0 1 FJAF Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccncc4)ccc23)cc1F 28959798 AFMOWMCQHKYJGZ-UHFFFAOYSA-N 372.403 4.587 0 1 FJAF CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)NCC(=O)O)C(C)(C)CCC1 29567113 ZETCVMXUHPTVOW-VTLMDCEISA-N 357.494 4.719 0 1 FJAF CCN1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1 34805856 WDYQEZDEPNZBEW-UHFFFAOYSA-N 352.507 4.866 0 1 FJAF Cc1ncccc1Oc1ccc(NC(=O)c2c[nH]c3c(C)cccc23)cn1 40845173 USPGIWKYYNKFNY-UHFFFAOYSA-N 358.401 4.619 0 1 FJAF COc1cccc(N(C)C(=O)c2ccc(-c3ccc(F)c(OC)c3)s2)c1 95585438 LTZYNBHCTFRBBC-UHFFFAOYSA-N 371.433 4.848 0 1 FJAF O=C(CCCN1[C@@H]2CC[C@@H]1c1c([nH]c3ccccc13)C2)c1cccs1 100758078 GZLRSKHJKSOBOU-RDTXWAMCSA-N 350.487 4.954 0 1 FJAF COc1ccccc1C(=O)n1cc(C)n(-c2ccccc2Cl)c1=S 103286994 LPNBQTOUDZENSE-UHFFFAOYSA-N 358.850 4.667 0 1 FJAF O=C(Nc1ccc(CC[C@@H]2CCCN2)cc1)c1ccc(Cl)c(Cl)c1 117728230 AJLQUOXNZAXTHI-HNNXBMFYSA-N 363.288 4.930 0 1 FJAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1 144817168 PAKUIJPXTOTTNJ-QGZVFWFLSA-N 351.490 4.743 0 1 FJAF COc1ccc([C@H]2O[C@@H](c3ccc4c(c3)OCCO4)[C@H](C)[C@H]2C)cc1OC 238742628 BBSVRRFIUUMCCG-JZCAMDEDSA-N 370.445 4.560 0 1 FJAF CCCc1cc(-c2nc(-c3ccc(Cl)cc3)c(C(N)=O)s2)ccn1 299830853 YFUDCDUIECSPRU-UHFFFAOYSA-N 357.866 4.577 0 1 FJAF Cc1c(Br)cc2nc(/C=C/c3ccccc3C(=O)O)[nH]c2c1C 586882123 KJRWTEIQZBXKBC-BQYQJAHWSA-N 371.234 4.811 0 1 FJAF C[C@H](SCc1ccccc1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586963076 JNNJKGGQRMRTCC-ZDUSSCGKSA-N 352.438 4.882 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(OC(F)(F)F)cc3[nH]2)s1 587015032 WAROGBCBHSWDDJ-VIFPVBQESA-N 371.384 4.991 0 1 FJAF FC(F)(F)c1ncc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 587050059 OKGUSNNSPSENTB-NKWVEPMBSA-N 373.165 4.901 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(Br)c(F)ccc3[nH]2)n1 587081235 YFHDHRILGHPZBB-ZETCQYMHSA-N 371.641 4.952 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc12 587109643 QKFZUGIQGBBVIL-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF COc1c(F)ccc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c1N 587132428 ATAKZMDYTDKDIU-UHFFFAOYSA-N 359.710 4.632 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccc(Cl)nc3[nH]2)c1 587195228 FBSVGAPVCATJFD-UHFFFAOYSA-N 372.856 4.958 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(N)cc1)(c1ccc(C)c(C)c1)O2 587389562 LKJHSSVPJWABBF-DEOSSOPVSA-N 372.468 4.685 0 1 FJAF CCn1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccccc21 587516943 XYOXNGHRZWDLDH-QHCPKHFHSA-N 360.457 4.816 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Cl)N1 587692495 HLVSAIMRMRGZJZ-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF CC[C@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725426 DKWUNTFKAAJXPG-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)C1CCCC1 587865841 LIYFIHQCCPSFKB-UHFFFAOYSA-N 352.356 4.798 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](CCCC2OCC(C)(C)CO2)N1 962938905 ANJNPFMCOOAGFE-BEFAXECRSA-N 356.510 4.703 0 1 FJAF CN(C/C=C/c1ccc(Br)cc1)Cc1ccc2c(c1)CCO2 1772613606 GDZPXUCKMDHWNF-NSCUHMNNSA-N 358.279 4.529 0 1 FJAF O=C(CCn1c(C2CCCCC2)nc2ccccc21)NC1CCCCC1 1857617460 GSAJLRXZFRWNKN-UHFFFAOYSA-N 353.510 4.923 0 1 FJAF Cc1ccc2c(c1)[C@H](NC(=O)/C=C/c1ccco1)CC1(CCCCC1)O2 3065224 ZKRRLJXFAHXBJJ-LHUXKHBRSA-N 351.446 4.944 0 1 FJAF Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccn2c1Cl 13778307 ABADECSEJRWIQC-UHFFFAOYSA-N 354.624 4.855 0 1 FJAF CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968415 WJQSBUBHFPBEBS-UHFFFAOYSA-N 366.305 4.716 0 1 FJAF O=C(O)COc1cccc2c1CC[C@@H](C/C=C/CCc1ccccc1)C2 26008512 RMCKHIIQGCMAKJ-NPZFNFPTSA-N 350.458 4.834 0 1 FJAF CN(C)[C@@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)n2)c2ccccc12 29343539 HAUBUNNZVAGIGM-IRLDBZIGSA-N 361.489 4.736 0 1 FJAF CCOC(=O)c1c(Cc2cccc(F)c2)[nH]c2c1cc(O)c1ccccc12 40937707 FNNNPQJKSPSKKV-UHFFFAOYSA-N 363.388 4.933 0 1 FJAF CC(=O)O[C@H]1Cc2ccccc2O[C@@H]1c1ccc(OCc2ccccc2)cc1 45392061 DOJDDARINLNFMZ-BJKOFHAPSA-N 374.436 4.874 0 1 FJAF COc1ccc(NCc2cncn2Cc2ccccc2)nc1-c1ccccc1 96940281 GBJIHPXPJHYADL-UHFFFAOYSA-N 370.456 4.614 0 1 FJAF CN1[C@@H]2CC[C@@H]1[C@@H](CNc1cccc(F)n1)[C@@H](c1ccc(Cl)cc1)C2 101451348 QWGVIOYTQRTWPO-ZJPYXAASSA-N 359.876 4.553 0 1 FJAF CCCCCOc1cc2nnnc(Nc3cc(F)cc(F)c3)c2cc1OC 103295909 WUZXWQYGLCHDCS-UHFFFAOYSA-N 374.391 4.624 0 1 FJAF CCCCOC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)O 169323274 LOQSRODIRHLSQG-UHFFFAOYSA-N 350.317 4.646 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cccc(OCc3ccccc3)c2[nH]1 586963282 GSJWBRJSGWIAPU-AWEZNQCLSA-N 362.458 4.785 0 1 FJAF Cn1cc(-c2ncc(-c3nc4ccc(Oc5ccccc5)cc4[nH]3)s2)cn1 587021987 RWPCBGNVCHRAAF-UHFFFAOYSA-N 373.441 4.879 0 1 FJAF CN1CCC[C@@H]1[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103735 AHURWBDGJYFXCK-DYESRHJHSA-N 368.480 4.960 0 1 FJAF Fc1ccc(/C=C/c2nc3ccc(Br)c(F)c3[nH]2)c(F)c1 587148043 FFQJSJQLNHLMBX-QHHAFSJGSA-N 353.141 4.913 0 1 FJAF Cc1cc(F)c2[nH]c([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)nc2c1 587191132 KZUZVZSUJPMATC-SFHVURJKSA-N 369.440 4.967 0 1 FJAF CCCCCOc1cc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OC 587399688 JCHYIMQFGLXENH-HXUWFJFHSA-N 369.461 4.861 0 1 FJAF Cc1cccc(NC(=O)C[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512696 OICLQONIVQGXPA-HSZRJFAPSA-N 363.457 4.627 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1Cl 587547705 NCYZZZQWUQTAQY-XLIONFOSSA-N 352.773 4.749 0 1 FJAF Oc1nc(O)c2cc3c(nc2n1)CCCCCCCCCCC=CCC3 587561430 HLCHZCRXMRAHKZ-UHFFFAOYSA-N 355.482 4.992 0 1 FJAF CC1(c2ccccc2)CC2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587605021 WTFBDXVJCGTATD-XOYNAWAESA-N 372.420 4.844 0 1 FJAF Cc1c([C@H]2CCCCN2C(=O)OC(C)(C)C)[nH]c2c(C(=O)O)cccc12 587639417 VLFBDNYMZKEKAN-OAHLLOKOSA-N 358.438 4.637 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3cn2)N1 587776822 DVCBPBKKUQSBOJ-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccncc3c2)N1 587776959 FHVZQUBLRGRTKA-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2c[nH]c3ccccc23)N1 587802380 MAARZLQGJKFCRV-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF COc1ccc(C)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587807649 LCFXDVFVIBYEJO-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF Cc1cc2c(cc1C)[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818672 SFQIZSJXMNSFFC-RBZFPXEDSA-N 374.297 4.929 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(N1)c1ccccc1CC[C@H]2C 587824241 VSGSZEVSFDDNDB-VFGMZZLHSA-N 374.297 4.948 0 1 FJAF Cc1ccc2c(c1)[C@]1(C=CO2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587839331 RMNBKTBXGOSZJD-HXPMCKFVSA-N 374.253 4.581 0 1 FJAF COc1ccc2c(c1)[C@@H](c1cnc(-c3cccs3)nc1)N(C(C)C)CC2 962085789 AYKOWDDPDLSNNH-HXUWFJFHSA-N 365.502 4.570 0 1 FJAF c1ccc(-c2cccc3c2[C@H](c2cn(-c4ccccc4)cn2)NCC3)cc1 962671700 UMWOLVQVVGLEPZ-DEOSSOPVSA-N 351.453 4.774 0 1 FJAF CCCOc1ccc2c(c1)[C@]1(CCO2)c2ccc(F)cc2C[C@@H]2CCCN21 963105216 LZQOLZDVMLQUHM-MBSDFSHPSA-N 367.464 4.661 0 1 FJAF Clc1ccc2c(c1)c1cc(Cl)ccc1n2[C@H]1C[C@H](c2nn[nH]n2)C1 1857550728 QAIQLQCRTGBOEE-OTCDBFHCSA-N 358.232 4.733 0 1 FJAF CCOC(=O)c1nc(C2CCCCC2)sc1-c1ccc2nccnc2c1 1857609968 OQCHWRUYHVPPEW-UHFFFAOYSA-N 367.474 4.978 0 1 FJAF CC=C(CC)C[C@H](CC)C(=O)NC(=N)NC(=O)[C@@H](CC)CC(=CC)CC 2356512393 ZSZIXCDEUHZLAH-ROUUACIJSA-N 363.546 4.699 0 1 FJAF CC[C@@H]1C(C)=CC[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@]12C 2356648733 OGFGWQYOWINDKL-RGJOOVLMSA-N 362.510 4.828 0 1 FJAF Cc1cc2onc(C)c2cc1NS(=O)(=O)c1cccc(Cl)c1Cl 2382218289 PHCHYRYDRUKYSE-UHFFFAOYSA-N 371.245 4.552 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2cccc(F)c2)c2ncn(C(C)C)c2c1 61948960 WDEYCYHVZGOHLD-KRWDZBQOSA-N 371.456 4.518 0 3 FJAF CCc1c(C)[nH]c(=O)c(N(C)CCCSC)c1Cc1cc(C)cc(C)c1 5886188 HZXTYUBDPUXDNV-UHFFFAOYSA-N 372.578 4.643 0 1 FJAF CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@H](C)C1CCC1 13487177 MJDSEWRHUKQNHT-CQSZACIVSA-N 350.466 4.734 0 1 FJAF Fc1ccc(F)c(-c2ncoc2-c2ccc3nnc(C4CCC4)n3c2)c1 14961339 VNHGSIKXBJYVIS-UHFFFAOYSA-N 352.344 4.597 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26394194 LKCRMGJZGXVDFH-ALYLOHGZSA-N 357.538 4.515 0 1 FJAF O=C(CC1CCCCC1)c1ccc(OC(F)F)c(O[C@@H]2CCOC2)c1 40392936 HRACJZOSAUAQQQ-OAHLLOKOSA-N 354.393 4.609 0 1 FJAF Cc1ccccc1-c1nc(CNCc2ccc(OC(F)(F)F)cc2)co1 72183269 ULXJDPUNGQGEOW-UHFFFAOYSA-N 362.351 4.838 0 1 FJAF Cc1ccsc1CN(C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C)c1ccccc1 101152210 REFOKOYWCWAHCW-ROUUACIJSA-N 370.518 4.825 0 1 FJAF CC[C@H]1C(=O)N(C2CCN(CCCc3ccccc3)CC2)c2ccccc21 169341850 DXLZFZXCXBEHHP-OAQYLSRUSA-N 362.517 4.624 0 1 FJAF CC(=O)O[C@H]1C[C@@]2(N(C)C)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 253667075 TWABYZAIMLYBQR-QOXFPCGXSA-N 363.501 4.600 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@@]45CCc4ccccc45)[nH]c3c2)cc1N 586885739 CVCGECLLEWGSSE-MHECFPHRSA-N 366.468 4.766 0 1 FJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cccc(Cl)c3[nH]2)c1 586915430 MWLKFBUUHFBAJI-UHFFFAOYSA-N 364.788 4.985 0 1 FJAF Cc1ccc(SCc2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)c(C)c1 586963713 NOCORLZVCDBEBP-UHFFFAOYSA-N 372.803 4.886 0 1 FJAF Cc1nc2ccc(O)c3c2c(c1CCC(F)(F)F)-c1ccccc1C3=O 586985262 BQQDUWXPCZIAQD-UHFFFAOYSA-N 357.331 4.955 0 1 FJAF FC(F)(F)COc1cc(-c2nc3cccc(C(F)(F)F)c3[nH]2)ccn1 587092003 QJDQRDLRLDKHPX-UHFFFAOYSA-N 361.245 4.585 0 1 FJAF COC(=O)C[C@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@@H]1C 587097689 NORXYQFULLLUCP-ZIAGYGMSSA-N 371.436 4.594 0 1 FJAF C[C@H](c1nc2cc3c(cc2[nH]1)NC(=O)CC3)c1ccccc1C(F)(F)F 587099217 ZOOROMCCHDODSZ-JTQLQIEISA-N 359.351 4.618 0 1 FJAF Cc1cc(-c2nc3c(O)cccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144346 IUIMRKZPYUCRLL-UHFFFAOYSA-N 362.360 4.748 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3nc(Cl)ccc3[nH]2)cc1 587159280 WTUDKBBFUOHSTK-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF O=C1CCc2cc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3cc2N1 587165301 PEWRKOCEJAHZRE-UHFFFAOYSA-N 363.417 4.982 0 1 FJAF O=C1c2ccccc2-c2c(C3CCC4(CC3)OCCO4)cnc3cccc1c23 587209906 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C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@H]3C=C[C@H]2CC3)N1 587817487 COOHOUGDHQCRDK-BLGBQTEISA-N 364.302 4.940 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCCc3sccc32)N1 587856870 JIOHAOHCJDTOLU-BMLIUANNSA-N 366.299 4.764 0 1 FJAF CCNC(=O)Nc1cn([C@@H]2C=CCCC2)c2cc(-c3cccnc3)cnc12 653749334 FUOXGNXVVQDOGU-QGZVFWFLSA-N 361.449 4.521 0 1 FJAF CSc1ccc([C@H]2c3ccsc3CCN2Cc2cccn2C)cc1 962398952 OMQPWTPNJJCPDE-FQEVSTJZSA-N 354.544 4.956 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(Cl)cc2C(=O)O)N1 962951939 PHUUAODOVYEFEV-SGTLLEGYSA-N 354.837 4.533 0 1 FJAF COc1ccc2[nH]c3c(C(=O)c4ccc(C(F)(F)F)cc4)nccc3c2c1 1772599175 HBQCYMKZQLGRJX-UHFFFAOYSA-N 370.330 4.975 0 1 FJAF Fc1ccccc1Cn1cc(Cn2c3ccccc3c3ccccc32)nn1 1857561837 YGAQPLXIGBDODL-UHFFFAOYSA-N 356.404 4.622 0 1 FJAF COc1ccc(NCC2(c3ccnc(-c4ccccc4Cl)c3)CC2)cn1 1857584313 QJBKUWUUNKHWOK-UHFFFAOYSA-N 365.864 4.949 0 1 FJAF COc1cc(C(C)C)c(C(=O)CSc2nc3ccccc3[nH]2)cc1C 1857608922 CINHQBGOJTVISF-UHFFFAOYSA-N 354.475 4.978 0 1 FJAF COc1ccc([C@@H]2CCCC[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1O 1857611378 UQCIIGQMKVSWIN-DLBZAZTESA-N 372.461 4.868 0 1 FJAF CCCN(CCc1ccccc1)[C@@H]1CCc2ccc3[nH]cc(C=O)c3c2C1 13741758 GVFSLSBQCUQRBA-OAQYLSRUSA-N 360.501 4.792 0 1 FJAF CCc1nc2c(C)cc(C)nc2n1Cc1cc(Cl)c(O)c(Cl)c1 26184068 MNJHQHHNFSLKNU-UHFFFAOYSA-N 350.249 4.671 0 1 FJAF Cc1ccc(COc2cc(C)cc(N3C(=O)c4ccccc4C3=O)c2)cc1 28572667 FFJXZFIIPRSDPF-UHFFFAOYSA-N 357.409 4.683 0 1 FJAF O=C(Nc1cccc(C(=O)c2nc3ccccc3o2)c1)OC1CCCC1 28710810 ATSFHJXKWCQPMT-UHFFFAOYSA-N 350.374 4.550 0 1 FJAF Cc1cn2c(/C=C3/C(=O)Nc4cccc(Cl)c43)c(Cl)nc2s1 31905377 OXZHKIHTFOQMLM-VMPITWQZSA-N 350.230 4.504 0 1 FJAF CCCCCC[C@]1(C)NC(=N)NC(=N)[C@H]1c1ccc(Cl)c(Cl)c1 45209706 IWCHSUVCEDNRLB-PBHICJAKSA-N 355.313 4.911 0 1 FJAF O=C(O)c1c(O)c(C2Cc3ccccc3C2)nc2c(C(F)(F)F)cccc12 58655445 AWNVQTZGVXYSBA-UHFFFAOYSA-N 373.330 4.540 0 1 FJAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2)oc1C 82162974 OJVGVNCKQJNVAR-GASCZTMLSA-N 362.477 4.898 0 1 FJAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2ccns2)c1 113761831 IEZWHMAPLOLSQE-OAHLLOKOSA-N 366.486 4.550 0 1 FJAF O=N[C@@H]1CCc2cc(-c3cn(C4CCOCC4)nc3-c3ccncc3)ccc21 169686132 JURIKYZJJRIJAH-OAQYLSRUSA-N 374.444 4.717 0 1 FJAF COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2)c1 169702023 IJZQJJBRRXXMNC-QFIPXVFZSA-N 356.425 4.687 0 1 FJAF COc1c(/C=C/C(C)C)ccc2c1C(=O)OCc1cc(C)cc(O)c1O2 238758062 DHIMEGBZGLETMH-AATRIKPKSA-N 354.402 4.841 0 1 FJAF COc1ccc(-c2coc3c(CC=C(C)C)c(OC)cc(O)c3c2=O)cc1 473082659 KKORZMMDPYTWQD-UHFFFAOYSA-N 366.413 4.692 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cncc(Br)c2[nH]1 586896175 JLTGMSWSXIVHDN-UHFFFAOYSA-N 366.218 4.760 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)c1 587051555 YHCQAQVUXSAWSE-UHFFFAOYSA-N 371.721 5.000 0 1 FJAF O[C@@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058984 KMXLDRPGMQDIRB-CYBMUJFWSA-N 358.772 4.910 0 1 FJAF Nc1cc2nc(-c3ccc(OCc4cccc(Cl)c4)cc3)[nH]c2cc1N 587070416 INVORBITRRUZOV-UHFFFAOYSA-N 364.836 4.627 0 1 FJAF CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(N)ncnc2[nH]1 587070910 INBNRGKCWIOXEQ-ZGPXNKBISA-N 374.275 4.608 0 1 FJAF Fc1cc2[nH]c(-c3c(F)c(F)c(S)c(F)c3F)nc2cc1Cl 587134893 QIBVPRHGCITPHF-UHFFFAOYSA-N 350.699 4.868 0 1 FJAF Cc1c(Br)ccc2nc(-c3cnc4c(F)cccc4c3N)[nH]c12 587175842 BIHQEMBDHZTSGR-UHFFFAOYSA-N 371.213 4.570 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCC(C)CC3)cc1)O2 587392496 AMHAZNVNWYSQPK-NRFANRHFSA-N 350.462 4.520 0 1 FJAF COc1cccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)c1 587444075 RZIRQIGIMKEJBP-HYBUGGRVSA-N 372.420 4.860 0 1 FJAF CCOC(=O)[C@@H](C1CCCC1)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587521379 CSRSLDDAJZSOIC-NFBKMPQASA-N 370.489 4.659 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(F)c1 587554659 MLPKXTUIPRFYJB-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF CC(C)(C)SC[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606028 FVJQZAWFFZDBKG-UZLBHIALSA-N 358.459 4.644 0 1 FJAF Cc1cc(F)cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587732492 NLZZUKROKFCFSV-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccccc2S)N1 587844434 NXJNUAMGYQVBOY-BMLIUANNSA-N 366.299 4.675 0 1 FJAF CC[C@H](Cc1cc(C)nc2c1c(C(C)C)nn2-c1ccc(F)cc1)C(=O)O 1857542808 XDYPOKBWHYOEAG-CQSZACIVSA-N 369.440 4.645 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 2356572531 DPBCVQQQIVNUMJ-FFPWWWKNSA-N 362.510 4.663 0 1 FJAF Cc1cnc(NC(=O)N2CCC[C@@H](Nc3ccc(Cl)c(C)c3)C2)s1 2382247394 DMCUNSHBBRVZEX-CQSZACIVSA-N 364.902 4.522 0 1 FJAF O=C(Nc1cccc(-c2cccc(F)c2)c1)C1CCN(C2CCC2)CC1 12715701 GECBTYGBJATYFD-UHFFFAOYSA-N 352.453 4.696 0 3 FJAF COc1cc([C@@H](O)c2nc(-c3cccc4cccnc34)cs2)ccc1F 61906318 UZMDLFUXXPNLBS-LJQANCHMSA-N 366.417 4.588 0 3 FJAF O[C@](c1ccccc1)(c1nc(-c2cc(F)cc(F)c2)cs1)C(F)(F)F 61907226 XEOZFFFLVXXBDJ-MRXNPFEDSA-N 371.330 4.887 0 3 FJAF C[C@@H]1ON(C)[C@H]2C[C@H]3c4cc(-c5cc6ccccc6o5)ccc4CCN3C[C@@H]12 95605159 QUCKDEPWPDQQTM-JNHSIYEJSA-N 374.484 4.653 0 3 FJAF Nc1ccc2c(Cc3ccncc3)nnc(Nc3ccc(Cl)cc3)c2c1 3832385 NMPJZCBLQWVVEW-UHFFFAOYSA-N 361.836 4.595 0 1 FJAF O=C(NCCc1ccc(C(F)(F)F)cc1)Nc1cccc2cnccc12 13608732 GVBJQELVGBOZCZ-UHFFFAOYSA-N 359.351 4.618 0 1 FJAF CCCCC[C@H](O)/C=C/CC[C@H]1CCCc2c(OCC(=O)O)cccc21 26007888 JHZPIHBJWATKJV-KBFWMCMQSA-N 360.494 4.848 0 1 FJAF O=C(O)CCCC/C=C(\c1cccnc1)c1ccccc1Br 26741030 GQLNUJZEZUHJCP-OVCLIPMQSA-N 360.251 4.921 0 1 FJAF Cc1ccc2c(N3CCN(C)CC3)nc(-c3ccc(Cl)cc3)cc2c1 27524183 BGNUPPHAVDLYFT-UHFFFAOYSA-N 351.881 4.615 0 1 FJAF COC(=O)c1cccc(-c2c(C)[nH]c(=S)n2Nc2cccc(Cl)c2)c1 33493440 KCTRSVPHUDGMPM-UHFFFAOYSA-N 373.865 4.836 0 1 FJAF Cc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49802569 ZQRTZAKWJLXPJM-UHFFFAOYSA-N 354.302 4.965 0 1 FJAF CC[C@]1(C(=O)NCCc2ccc(Cl)c(Cl)c2)[C@@H](C)C1(Cl)Cl 103272530 FQNRASSQPGZQOB-YMTOWFKASA-N 369.119 4.872 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2[C@H](OC(=O)C=C(C)C)CC[C@H](C)[C@@]12C 238741924 WLIJCKKLLBSAMW-INMDSIMCSA-N 374.477 4.679 0 1 FJAF CCCOc1c(C)cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1C 587442224 PDQYFGNFRITEGV-VGOFRKELSA-N 352.430 4.590 0 1 FJAF C[C@]1(COc2ccc(F)c(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587501983 HNORZZXMJKTOFF-OAQYLSRUSA-N 358.384 4.647 0 1 FJAF COc1cccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)n(C)c12 587513977 COGVASJDLNIEJZ-NRFANRHFSA-N 361.441 4.772 0 1 FJAF Cc1cccc(F)c1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587559363 WNNMZMCMAZCMPZ-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF CCc1cccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603765 RMGYEAYBFJHBKG-REWPJTCUSA-N 360.409 4.832 0 1 FJAF Cc1c(CC(=O)c2ccc(C(F)(F)F)cc2)[nH]c2c(C(=O)O)cccc12 587638273 VQKXDSQBAPWLBS-UHFFFAOYSA-N 361.319 4.619 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2CC2(Cl)Cl)N1 587691470 GAXSCCAIBWEGGX-BLBGDKDGSA-N 367.089 4.531 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(c2)CCC3)N1 587824047 TUMDYVXQJDYQGS-WLRWDXFRSA-N 360.270 4.701 0 1 FJAF C[C@@H]1CCCc2ccccc2[C@]12N[C@H](C(=O)C(F)(F)F)Cc1ccccc12 962729372 IAMXEWDOFPBGNQ-XWRIVVANSA-N 373.418 4.548 0 1 FJAF Oc1ccc2c(c1)[C@@H](C1=C(Cl)c3cc(Cl)ccc3SC1)NCC2 963340831 IUVLVPMMQSXALE-SFHVURJKSA-N 364.297 4.988 0 1 FJAF Cc1nc(Cc2ccc(O)cc2)c(=O)[nH]c1CCCCCCCC(C)C 2356718432 VPRZXCNKOANCBI-UHFFFAOYSA-N 356.510 4.914 0 1 FJAF CCCCCc1cc(O)cc(O)c1C(=O)Oc1cc(O)cc(CCC)c1 13339597 ISTWWFHRVAZARK-UHFFFAOYSA-N 358.434 4.708 0 1 FJAF biogenic CCc1nc2c(-c3ccc(N(C)C)nc3C)ccnc2n1[C@H](CC)C1CC1 13487185 CFFOILAHIJLLAB-GOSISDBHSA-N 363.509 4.791 0 1 FJAF CO[C@@H]1C[C@H]2C[C@@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 13643552 BLHLYSLDSMMWFB-QMCAAQAGSA-N 371.908 4.696 0 1 FJAF CCc1nc2c(C)ccnc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1 26269438 ZZMAWYOPVJDIKT-UHFFFAOYSA-N 371.440 4.716 0 1 FJAF CC[C@]1(CC(=O)O)OC[C@@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26280378 LYCDISHWFIQTOZ-UZUQRXQVSA-N 363.457 4.913 0 1 FJAF Cc1cc[n+](CCCCc2ccc(CCCC[n+]3ccc(C)cc3)cc2)cc1 28861789 CNUQLSKYHQDJNP-UHFFFAOYSA-N 374.572 4.924 0 1 FJAF c1cncc(-c2nc(-c3ccc(OCCCn4ccnc4)cc3)cs2)c1 29473148 SEZZMHUKMSTGTB-UHFFFAOYSA-N 362.458 4.538 0 1 FJAF COc1ccc(C(=O)O[C@H]2CC(C)=CC[C@@]3(C)CC[C@@](O)(C(C)C)[C@H]23)cc1 31168031 PLWGJLHNBNMJOH-PABCKOPISA-N 372.505 4.764 0 1 FJAF CCC(=O)c1cc(OC)ccc1Oc1ccnc2cc(OC)c(OC)cc12 40977339 LDVJCSMDOPWVGD-UHFFFAOYSA-N 367.401 4.646 0 1 FJAF CC[C@H](c1nc(SC2CCCC2)[nH]c(=O)c1C)c1c(F)cccc1F 72113258 KSMUQSCQHJHTDD-ZDUSSCGKSA-N 364.461 4.933 0 1 FJAF CCOc1ccccc1-c1nc(C(=O)NCCC2=CCCCC2)cs1 82074806 UDDYXSXPCNFPNJ-UHFFFAOYSA-N 356.491 4.829 0 1 FJAF Cc1cc(OCCN2CCCCCC2)nn1-c1ccc(Cl)c(Cl)c1 95554581 SBOBFPYNUQBMFN-UHFFFAOYSA-N 368.308 4.742 0 1 FJAF O=C1CCc2cc([C@H](c3ccncc3)c3ccc(Cl)cc3)cc3c2N1CC3 95597493 OEOFQWGTPGDJIF-QFIPXVFZSA-N 374.871 4.751 0 1 FJAF Cc1cc(OCc2cc(C)nn2-c2ccccc2)n(CC2CCCCC2)n1 169346034 AROKZSQHURPZAU-UHFFFAOYSA-N 364.493 4.845 0 1 FJAF Nc1cnc(-c2ccc(C3CCC3)c(Oc3ncccc3Cl)c2F)cn1 224555041 OCNZAFJJNAZLEN-UHFFFAOYSA-N 370.815 4.973 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cc(F)cc(F)c2[nH]1 586994985 BVCYGLCSNCAGBZ-UHFFFAOYSA-N 367.193 4.918 0 1 FJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)c(F)cc2[nH]1 587080261 OEKOEGYDJRFQCX-ZDUSSCGKSA-N 363.223 4.733 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc4cc(Cl)ncc4c3)nc2c1 587085306 RUXRSDOWWHQSQL-UHFFFAOYSA-N 372.211 4.872 0 1 FJAF CCOC(=O)[C@H]1C[C@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105610 AYMJZTRMIKWMMK-ACJLOTCBSA-N 371.436 4.675 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587113891 OJYZBVRDENZUMI-QMMMGPOBSA-N 374.288 4.688 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3ncccn3)c1)CC2=O 587488333 IVINPRGAAAYZHG-FQEVSTJZSA-N 360.413 4.508 0 1 FJAF Cc1c(F)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587554813 JMSCDAQSQIDORQ-UGKGYDQZSA-N 364.372 4.851 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)cc(Cl)c1 587574381 ZHJVVPZUZDUTPH-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF COc1ccc(C2=NN(C3CCCCCC3)C(=O)[C@@H]3CC=CC[C@H]23)cc1 653689412 IVKPOWOYIHXNNT-VQTJNVASSA-N 352.478 4.547 0 1 FJAF CCCn1cc([C@H]2c3cc(OC)ccc3CCN2C(C)C)c(C2CC2)n1 962085832 BMMLTMOVFWFXAE-JOCHJYFZSA-N 353.510 4.535 0 1 FJAF CC[C@@]1(c2cc(Cl)ccc2Cl)NCCc2c1c(C(C)C)nn2C 962904069 BBVHZUJWWVHCEQ-SFHVURJKSA-N 352.309 4.650 0 1 FJAF Fc1cccc(CC[C@H]2CN(Cc3ncn4ccccc34)CCC2(F)F)c1 1772600731 XMWWYSYUXMCNBF-KRWDZBQOSA-N 373.422 4.563 0 1 FJAF CCC[C@@H](CN[C@@H](CNC)[C@H](C)CC)NCC1CCC(C(C)(C)C)CC1 22938856 HRJAFSMLTYZGNF-XGQIVCTBSA-N 367.666 4.821 0 3 FJAF Cn1c2ccccc2c2ncnc(Nc3cccc(Br)c3)c21 3815285 ULWYMPIRZLVNFN-UHFFFAOYSA-N 353.223 4.628 0 1 FJAF CC[C@@H](C)[C@@H](CN1CCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446369 DLIKNFBWOSJTBG-RDTXWAMCSA-N 371.352 4.505 0 1 FJAF COc1c2c(c3c(=O)occc3c1OC)CC[C@H]1C(C)(C)CCC[C@]21C 13483214 WKJIVSUNCMEFJU-NYHFZMIOSA-N 356.462 4.840 0 1 FJAF biogenic CN(C)CC[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(Cl)cc1 13684651 OELIFPAOPLPFNT-NRFANRHFSA-N 366.892 4.916 0 1 FJAF CNC(=O)CCc1ccc(NCc2cccc(Oc3ccccc3)c2)cc1 40565199 VUSAJIZKUKKXAK-UHFFFAOYSA-N 360.457 4.770 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O 49049030 JQTRPSHLFTZYHC-SESVXGAZSA-N 351.490 4.518 0 1 FJAF CN(C)CCCNc1ccc(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64549574 ZRXYICKCMRZHBU-UXHICEINSA-N 356.897 4.690 0 1 FJAF CCCCCN1C(=O)[C@@]2(CCCc3cc4c(cc32)OCO4)c2ccccc21 71340933 PZKABQGUVWNWLA-QHCPKHFHSA-N 363.457 4.575 0 1 FJAF O=C(Nc1ccc(C[C@H](O)c2ccccc2)cc1)c1ccccc1Cl 72182625 PITHTZJGIBVHTN-FQEVSTJZSA-N 351.833 4.868 0 1 FJAF COc1ccc([C@H]2CC(c3ccc4c(c3OC)C=CC(C)(C)O4)=NO2)cc1 96142515 LNLOREVTGJHTNX-HXUWFJFHSA-N 365.429 4.754 0 1 FJAF CC[C@@H](Cc1cccc(C)c1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251338 GWBHDCFCUBNVKR-FQEVSTJZSA-N 359.535 4.528 0 1 FJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@@H](C)O)c2ccccc12 146603832 GCNMKVGMAKQJHP-JLTOFOAXSA-N 370.412 4.975 0 1 FJAF Nc1ccc(F)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586987320 CYQMGMFAPVEUOQ-UHFFFAOYSA-N 356.356 4.540 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccnc(Br)c2[nH]1 587062890 XUXZNPOZEDDKKB-LLVKDONJSA-N 366.646 4.904 0 1 FJAF COc1ccc2c(c1N)-c1nc3cccc4c3c(c1C2)-c1ccccc1C4=O 587104739 HYMZQQHVRHPUQK-UHFFFAOYSA-N 364.404 4.608 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587116688 BMFQGHNKNVCNJZ-UHFFFAOYSA-N 368.668 4.654 0 1 FJAF CC1(C)[C@@H](C(=O)O)C[C@H]1c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587206882 NUSPTWBEHGKDKW-DLBZAZTESA-N 357.409 4.661 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3cc(Cl)cc(C)c3n1)O2 587379147 GGCDKBQNARKELS-GOSISDBHSA-N 352.821 4.794 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4ccc(Cl)cc4c1C)[C@@H](C2)C3=O 587419257 DKJSMFDNTOWYJF-VBKZILBWSA-N 353.805 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cc(Cl)cnc3o1)CC2=O 587458704 BPOFKUHGWNYFTG-KRWDZBQOSA-N 357.793 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc(F)c1F)CC2=O 587466072 JMIWRIJNNJQIBF-OAHLLOKOSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2ccc(N)cc21 587468232 CJDJOSIBXWERAO-DEOSSOPVSA-N 371.436 4.816 0 1 FJAF CN(C)/C=C\[C@@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532750 SIWXBOQROZNDST-GMGKOPGTSA-N 353.487 4.563 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(O)c2ccoc2c1 587617638 QCIBXOOORIYWCI-UGKGYDQZSA-N 374.348 4.547 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c(C(=O)Nc3ccc4c(c3)OCO4)c2c1 587644032 ZJCZJZGCAQVQEC-GFCCVEGCSA-N 350.418 4.971 0 1 FJAF CC(C)n1cccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587758831 YJMYZLVNVGJKAJ-DIFFPNOSSA-N 351.263 4.594 0 1 FJAF Nc1ccc(-c2ccc3nc(COC/C=C\c4ccccc4)[nH]c3c2)cc1N 587781351 UESFFUUVUDEJMU-DAXSKMNVSA-N 370.456 4.624 0 1 FJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587783815 ARSAEYPZQONVKY-STQMWFEESA-N 361.228 4.813 0 1 FJAF Oc1cc(C2CCCCC2)c(O)n1-c1cc(F)c(Br)cc1F 587943518 GRPVMQYINBMPCM-UHFFFAOYSA-N 372.209 4.977 0 1 FJAF COc1ccc2c(c1OC)[C@](C)(C(C)(C)c1ccc(F)cc1)N(C)[C@@H](C)C2 962642431 UPUZATZOMZMJOR-NPMXOYFQSA-N 371.496 4.912 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@]12CC[C@](C)(CC(=O)OC)O2 2356510207 QAJXVRMXWXMPBX-GFRNBQLOSA-N 364.526 4.667 0 1 FJAF CCc1nn(C2CCCC2)c2c1CCn1c-2nnc1C1(C)CCCCC1 840569 ZASAGHDYYLZTKC-UHFFFAOYSA-N 353.514 4.597 0 1 FJAF CCCCN(CCCC)C(=O)Cc1c(-c2ccccc2)nc2ccccn12 2022418 OKBDNJRYPXHSPE-UHFFFAOYSA-N 363.505 4.973 0 1 FJAF Clc1ccc2c(c1)Oc1ccccc1[C@H]2SCCN1CCOCC1 25969938 FHQPVAVWEOPNPI-LJQANCHMSA-N 361.894 4.601 0 1 FJAF c1ccc(-c2ccc(Nc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40829163 TUPRKLVIDDKQDQ-UHFFFAOYSA-N 370.441 4.887 0 1 FJAF Nc1nc2c(OCc3ccccc3)cccc2c2cn(-c3ccccc3)nc12 72177058 RYTYWUAOLYDWNV-UHFFFAOYSA-N 366.424 4.735 0 1 FJAF COc1ccc([C@H]2[C@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1 87723707 FSJVGFSWFAWCEC-GOTSBHOMSA-N 372.468 4.817 0 1 FJAF Cc1ccc([S@](N)(C(=O)Nc2cccc3ccccc23)[N+](=O)[O-])cc1 103143994 DSWLJTIRUCHKTH-UHFFFAOYSA-N 355.419 4.609 0 1 FJAF C=C(c1ccccc1)c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1 222430315 RAGDOJKYCQWMLT-UHFFFAOYSA-N 365.436 4.577 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3c(Cl)cnc(Cl)c3[nH]2)s1 587013653 AJINZKXRMDZTAT-ZETCQYMHSA-N 357.266 4.794 0 1 FJAF Fc1cccc(-c2nc3ccc(Br)nc3[nH]2)c1C(F)(F)F 587098583 UEUIZLIDNCXMBT-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(C)(C)OC(=O)N[C@H](Cc1nc2ccc(C(C)(C)C)nc2[nH]1)C(C)(C)C 587206936 ZAQOPWVIOZYQTC-OAHLLOKOSA-N 374.529 4.737 0 1 FJAF Ic1cccc2c1Cc1c-2nc2cccc3c2c1CC3 587213161 OYCKLWKGSUAOOX-UHFFFAOYSA-N 369.205 4.509 0 1 FJAF N=c1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc2[nH]1 587254248 QEPIGYZAHRKSPU-UHFFFAOYSA-N 360.364 4.803 0 1 FJAF C[C@]1(c2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587378433 VAIVXRCBPXLGJD-UYAOXDASSA-N 354.402 4.867 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cccc1C(F)(F)F)[C@@H](C2)C3=O 587419651 HMJPXODRQGVUHI-BTDLBPIBSA-N 368.738 4.856 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1cccs1)C1CC1 587616033 YRPAUKSECGILOL-GHTZIAJQSA-N 364.422 4.721 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2CCC(F)(F)CC2)N1 587720622 NPZZGFVNANKVGP-VFZGTOFNSA-N 362.233 4.989 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2F)N1 587725747 FTLQPFXTLCUVJK-BMLIUANNSA-N 352.222 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(/C=C\c2ccco2)N1 587830435 TUQQOFBPZQYCPT-ZNIHIUNLSA-N 350.231 4.644 0 1 FJAF CCCc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587831807 YIPNQYRLKAZWPP-DYZYQPBXSA-N 352.247 4.757 0 1 FJAF CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)c2ccsc2CCN1C(N)=O 962719489 WVOVOOODCJGYER-KRWDZBQOSA-N 369.317 4.891 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2c(Cl)nc3sccn23)N1 962952593 VCTXYJNOGDIUTP-WYRIXSBYSA-N 370.909 4.718 0 1 FJAF CC[C@H](C)Sc1nc(O)c(C)c([C@@H](OC)c2c(F)cccc2Cl)n1 1857548535 MZAVJDGYAPRWPH-VFZGTOFNSA-N 370.877 4.910 0 1 FJAF CN(C)CCN=c1cc(/C=C/c2ccccc2F)[nH]c2ccc(Cl)cc12 2382231222 CLHHXURPDJEOFQ-VQHVLOKHSA-N 369.871 4.593 0 1 FJAF COc1ccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)cc1 2382236485 UOGRMXFIUCRQJK-UHFFFAOYSA-N 359.429 4.859 0 1 FJAF CC[C@@H]1OCc2c(C)c(/C=C/c3ccc(OC)c(OC)c3)nc(C)c2O1 2382240689 BHFYDVROXNLQGI-FHVRUZERSA-N 355.434 4.531 0 1 FJAF C[C@H](CCc1ccccc1)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 5020319 WVZVXOCYNYNXCY-QHGAOEGBSA-N 373.537 4.520 0 3 FJAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2ccc(C)c(C)c2)cs1 61926685 ZNYAYKTZZJWKSP-LJQANCHMSA-N 354.450 4.792 0 3 FJAF CC[C@H](C)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 752829 VDVSQPNAXYRHBL-ZDUSSCGKSA-N 367.449 4.533 0 1 FJAF C=C[C@H]1C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@H]2CCC3=CC(=O)CCC3=C12 26474146 XARCNANMFSCODL-XXYODPDXSA-N 352.474 4.680 0 1 FJAF O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(Nc2ccncn2)cc1 28952510 GBEXYSCDIOMOSJ-UHFFFAOYSA-N 373.441 4.596 0 1 FJAF Nc1nccc(Nc2ccc3[nH]nc(-c4cc5ccccc5s4)c3c2)n1 45371518 LKOUCBSSBZXDFY-UHFFFAOYSA-N 358.430 4.560 0 1 FJAF CCCCC[C@@H](C)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCCC(=O)O 71789767 LYZHABRCUXYPHQ-HRUISTIBSA-N 366.542 4.708 0 1 FJAF O=C(O)C[C@H](Cc1nc2cc(Cl)c(F)cc2[nH]1)c1ccc(Cl)cc1 72118830 NOYVFYOCCTXACP-JTQLQIEISA-N 367.207 4.810 0 1 FJAF O=N[C@H]1CCc2cc(-c3cn(C4CCOCC4)nc3-c3ccncc3)ccc21 169686133 JURIKYZJJRIJAH-NRFANRHFSA-N 374.444 4.717 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(N3CCc4ccncc4C3)cc2C)c1 169710119 IGDCJUNQEHDNIA-UHFFFAOYSA-N 372.472 4.905 0 1 FJAF C[C@@H]1CN(CCOC(=O)[C@H](c2ccccc2)[C@@H]2C=CCCC2)C(C)(C)C1 256075671 URSAPVYAZIFTPK-CEWLAPEOSA-N 355.522 4.790 0 1 FJAF O=C1O/C(=C\c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc21 586906543 NRGDWTJMYHAKTC-BKUYFWCQSA-N 368.392 4.810 0 1 FJAF O=C(O)c1csc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586994555 WAKAGUABNOMJPG-UHFFFAOYSA-N 373.389 4.579 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cccc(C(=O)OC)c4[nH]3)cs2)cc1 587015384 BXOSBUGRJITFOL-UHFFFAOYSA-N 363.442 4.702 0 1 FJAF COc1ccc(O)cc1-c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105859 AXWFYLJEFKZLTM-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF Cc1ccc2c(ccc3nc(-c4cc(F)cc(Br)c4)[nH]c32)n1 587161337 PRUKRQIWPCKUGM-UHFFFAOYSA-N 356.198 4.988 0 1 FJAF CCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1CC 587439501 BDODZGMAVGIVSD-VGOFRKELSA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c1[nH]c1ccc(F)cc31)CC2=O 587471712 MMNGVSBLWBRDKK-QFIPXVFZSA-N 365.404 4.772 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(O)c(OCC3CC3)c1)CC2=O 587482545 UHBFJOXDIMDNGJ-HXUWFJFHSA-N 368.429 4.546 0 1 FJAF Cc1nc2ccc(Cl)cn2c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587498644 JMLTZZRIQQUXQW-SFHVURJKSA-N 366.848 4.881 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@H]2N=O 587505370 MALGNQQUAFEIHQ-DGEVVOEJSA-N 353.462 4.861 0 1 FJAF O=C1C[C@@]2(CCCN(Cc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587515172 QRZGCUCDKSPNIB-XMMPIXPASA-N 361.485 4.565 0 1 FJAF CSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(SC)n1 587531726 IXSQHSTYIJFRSC-MRXNPFEDSA-N 372.515 4.506 0 1 FJAF COc1ccc(C(=O)c2c(C(F)(F)Cl)[nH]c3cccc(F)c23)cc1 587633460 FDLBWYKZEXDNTR-UHFFFAOYSA-N 353.727 4.835 0 1 FJAF CCOC(=O)c1c(-c2cc(F)c(F)c(C)c2F)[nH]c2cccc(F)c12 587634366 WJXGBDDMKQGRCR-UHFFFAOYSA-N 351.299 4.876 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3cn2)N1 587776818 DVCBPBKKUQSBOJ-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OCCO4)cc1 587933120 UEQZKUQYVUBUAH-UHFFFAOYSA-N 358.397 4.677 0 1 FJAF Cc1cc(-n2c(O)cc(C3CCCCC3)c2O)nn1Cc1ccccc1F 587945376 NEPXSYMYQBYBSB-UHFFFAOYSA-N 369.440 4.629 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1cc(-c3ccccc3)co1)N(C)[C@H](C)C2 962619828 GTXHVMDNOWAPRD-CMJOXMDJSA-N 363.457 4.930 0 1 FJAF O=C(c1ccc(-c2cccc(Cl)c2O)s1)c1c(F)ccc(O)c1F 1772621260 SYXSVGRCUZXSLS-UHFFFAOYSA-N 366.772 4.989 0 1 FJAF Cc1ccc(C(=O)CCCCSc2ccc(C3=NCCO3)cc2)s1 1857542285 YLFHCLPGKMYFAL-UHFFFAOYSA-N 359.516 4.979 0 1 FJAF O=C(O)Cc1ccccc1NC(=O)c1cccc(-c2ccc(Cl)cc2)c1 2382244341 TUOJXDACZUGPFU-UHFFFAOYSA-N 365.816 4.886 0 1 FJAF CC[C@H](NC(=O)Cn1c(-c2ccccc2)cc(C(C)=O)c1C)c1ccccc1 201476919 MIQDBUXTKOGTHX-QFIPXVFZSA-N 374.484 4.934 0 3 FJAF CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)n(C)nc12 1896220 QJCRRLSRMXLQMY-UHFFFAOYSA-N 365.525 4.890 0 1 FJAF Cc1ccsc1[C@@H]1CC(c2cccc(Br)c2)=Nc2ncnn21 13123695 UZSAWQXOQZNBED-AWEZNQCLSA-N 373.279 4.524 0 1 FJAF COc1ccc([C@H](c2cccs2)c2ccccc2OCCN(C)C)cc1 29130935 KSOCFRYGXLPPFL-QFIPXVFZSA-N 367.514 4.877 0 1 FJAF CCO[P@]1(=O)OC(C2CC2)=C(Br)c2ccc(Cl)cc21 49784420 XWIYQOZHWNZRDL-IBGZPJMESA-N 363.575 4.699 0 1 FJAF CC(C)Oc1cccc([C@@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 84724015 RQTURHVNEKPRHA-NRFANRHFSA-N 353.849 4.806 0 1 FJAF Cc1ccccc1C(=O)N1N=C(C(C)(C)C)C[C@H]1c1ccc2c(c1)OCO2 95556816 KQSULFCMGVIMAQ-KRWDZBQOSA-N 364.445 4.713 0 1 FJAF O=C(Cn1ccc(=O)c2cccc(C(F)(F)F)c21)c1ccc(Cl)cc1 104684415 DSFMPUVPAAEFNW-UHFFFAOYSA-N 365.738 4.557 0 1 FJAF C/C=C(/C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12 238766874 HLYBLRRKNWNJDY-MCLQFBEPSA-N 374.477 4.679 0 1 FJAF O=C(CCCc1nc2ccc3c(c2[nH]1)CCCC3)c1ccc(Cl)cn1 587080846 GTWUNTIMQAOGIF-UHFFFAOYSA-N 353.853 4.696 0 1 FJAF CC(=O)NC1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)CCC(C)CC1 587234846 XQUKVUIQBAACOK-UHFFFAOYSA-N 371.428 4.716 0 1 FJAF COc1cccc(-c2cc([C@@H](C)n3cncn3)nc3c2oc2ccccc23)c1 587363420 MXJMCJGQOMSPCZ-CQSZACIVSA-N 370.412 4.857 0 1 FJAF CC1(C)CSC[C@@]2(C1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587373081 KXMQATYHRAVJOV-GHTZIAJQSA-N 372.461 4.792 0 1 FJAF CCOc1ccc([C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399885 MTQPCHMXGFVVFU-DEOSSOPVSA-N 373.452 4.885 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cnc(-c3ccccc3)s1)O2 587412085 HADMRAPXNSXVSL-FQEVSTJZSA-N 350.443 4.581 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@H](C(C)(C)C)CC3)O2 587415795 XUXBFAHBZZBNKE-SJKOYZFVSA-N 370.518 4.891 0 1 FJAF O=C(O)c1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587501692 PYGYBONPKGIPBT-SFHVURJKSA-N 356.805 4.624 0 1 FJAF C[C@]1(c2cccc(Cl)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547504 LYZYKKGMBZEPMG-GHTZIAJQSA-N 366.800 4.923 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc1 587565936 XIJVKKIAFXBOIX-UHFFFAOYSA-N 363.461 4.714 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCC[C@@H](C1CC1)C2 587603293 LNHUYYGBQNDSOE-QOEFQVSFSA-N 350.414 4.693 0 1 FJAF CC(C)[C@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706500 QMHASHPHBRLTEI-OQPBUACISA-N 354.185 4.536 0 1 FJAF Cc1cc2c(cc1F)[C@@](C)(c1cc(F)cc(Br)c1F)NCC2 962142046 DSKOWYVTYWXQIS-KRWDZBQOSA-N 370.212 4.584 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccn(C2CCCCC2)c1 963055823 LRCYWOLSZXCLLJ-QFIPXVFZSA-N 361.489 4.785 0 1 FJAF O=C(Cc1ccccc1)Nc1ccc2c(c1)C[C@@H]1c3ccsc3CCN1C2 1857747026 YBMCMHJGWDPJJH-OAQYLSRUSA-N 374.509 4.585 0 1 FJAF CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C(=O)[C@@H](C)C=C(C)C=CC[C@@H](C)C(=O)O 2356520612 SVBYZDJRYNOEIV-DEPCRRQNSA-N 364.526 4.794 0 1 FJAF O=C1C=C(c2ccc(Br)cc2)/C(=C/Sc2ccccc2)N1 2382218254 ZRIKTUFHQFDNOQ-WJDWOHSUSA-N 358.260 4.596 0 1 FJAF CC(C)c1ccc(O[C@@H](Cc2ccccc2C(F)(F)F)C(=O)O)cc1 13604685 ZCKZBNARBRXSCN-KRWDZBQOSA-N 352.352 4.904 0 1 FJAF O=C1[C@H]2CCCC[C@@H]2C(c2cccc(Cl)c2)=NN1Cc1ccccc1 26508192 HPBQZWUNIXOGTG-OALUTQOASA-N 352.865 4.893 0 1 FJAF COc1ccccc1C(=O)C1=NCCc2cc(OCc3ccccc3)ccc21 27556431 JSSYSUSLWIXSQD-UHFFFAOYSA-N 371.436 4.502 0 1 FJAF CC(C)Cn1cc(CC(N)=O)c2cc(-c3ccc(F)c(Cl)c3)ccc21 28888326 AJNZHMDSIMOLFA-UHFFFAOYSA-N 358.844 4.785 0 1 FJAF COc1ccc(-c2cnc3c(-c4cnc5ccccc5c4)cnn3c2)cc1 40846467 MVZHDNZYAXHSMJ-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF COC(=O)c1c(N)oc2c(C)c(C)c(O)c(Sc3ccc(C)c(C)c3)c12 64750233 PJHSXSVQKVMCCG-UHFFFAOYSA-N 371.458 4.892 0 1 FJAF COc1cc(OC)cc(Oc2cc(NC[C@@H](C)c3ccccc3)ncn2)c1 82068372 HHDZTBVUGKRQGV-OAHLLOKOSA-N 365.433 4.502 0 1 FJAF COc1ccccc1Oc1cc(NC[C@H]2CC[C@@H]3C[C@@H]2C3(C)C)ncn1 104930401 OBZABPCRXBXWRJ-OAGGEKHMSA-N 353.466 4.762 0 1 FJAF CC(C)[C@@H]1C[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105482413 FYPLYVPUIGBRQE-ABSDTBQOSA-N 358.441 4.584 0 1 FJAF CC(C)(C)[C@@]1(O)CCN2C[C@@H]3Cc4ccccc4Cc4cccc(c43)[C@H]2C1 169328513 DAVHTUSZZYGLKT-NIRIFSCTSA-N 361.529 4.845 0 1 FJAF O=c1[nH]c(O)c(Cc2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)s1 169722680 QAEDXXPNJQPSTB-UHFFFAOYSA-N 368.241 4.832 0 1 FJAF COc1cc(-c2ncn(C)c2-c2ccccc2SC)cc(OC)c1OC 217831357 CHVLUYSBAJLWKF-UHFFFAOYSA-N 370.474 4.502 0 1 FJAF O=C(Nc1ccc(Cl)cc1-c1ccccc1)NC1(C(=O)O)CCCC1 218429076 VEQGYZXEIAPKOP-UHFFFAOYSA-N 358.825 4.526 0 1 FJAF CC(C)[C@H]1CC[C@@H](N2CCC(N3C(=O)[C@@H](C)c4ccccc43)CC2)CC1 261172685 UDIDJCCXFVDPEB-GBESFXJTSA-N 354.538 4.816 0 1 FJAF Fc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586983899 AMJPBQMUTATFSP-QGZVFWFLSA-N 374.257 4.650 0 1 FJAF N=c1[nH]c(-c2cccc(-c3nc4cccc(Br)c4[nH]3)c2)cs1 587021589 NZEQPLMLKQGGEU-UHFFFAOYSA-N 371.263 4.528 0 1 FJAF Brc1ccnc2[nH]c(-c3ncsc3-c3ccccc3)nc12 587028022 MQJGGGBAQBEARW-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)ccnc2[nH]1 587034347 HSLFQPXEIKPTFQ-AWEZNQCLSA-N 364.474 4.752 0 1 FJAF COc1cc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1OC 587074865 DVQUGUXZSRPGML-KRWDZBQOSA-N 371.868 4.571 0 1 FJAF Oc1ncnc2[nH]c(-c3cc(-c4ccccc4)nc4c(Cl)cccc34)nc12 587082391 MEKIJZXRLHJOTR-UHFFFAOYSA-N 373.803 4.594 0 1 FJAF O=C(/C=C\c1nc2cc(F)cc(C(F)(F)F)c2[nH]1)Nc1ccc(F)cc1 587167550 UWIDLXRIYNVKMZ-WAYWQWQTSA-N 367.277 4.512 0 1 FJAF CN(C)c1ncccc1-c1nc2cc(-c3nc4ccccc4s3)ccc2[nH]1 587196517 YRAQFKVYRWRRLY-UHFFFAOYSA-N 371.469 4.968 0 1 FJAF O=C(O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587206886 NVDBEAJKVQHZEJ-UHFFFAOYSA-N 351.361 4.811 0 1 FJAF O=C1Cc2nc3cccc4c3c(c2[C@@H](c2cccc(C(F)(F)F)c2)C1)CC4 587210080 DEZCEMVCOWTOMR-QGZVFWFLSA-N 367.370 4.999 0 1 FJAF CCCN(CCC)c1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1 587385618 DJZBIBAZZNSYII-OAQYLSRUSA-N 352.478 4.910 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3ccc(OC)cc3[C@H]1C)CC2=O 587482164 SGGGCICIZMVPMR-FATZIPQQSA-N 366.457 4.807 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587500573 MFGZCLUDSZDESS-QGZVFWFLSA-N 358.869 4.840 0 1 FJAF O=C1C[C@@H](c2cccc(-c3cncnc3)c2)Oc2c1ccc1c2CCCC1 587516440 XIDBJXDUIFIMGP-QFIPXVFZSA-N 356.425 4.729 0 1 FJAF C[C@@]1(c2ccc3nc(O)sc3c2)CC(=O)c2ccc3c(c2O1)CCCC3 587538331 PEMVIXRYVLBCMS-NRFANRHFSA-N 365.454 4.761 0 1 FJAF O=Cc1ccc(OCCc2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)cc1 587566404 LHVUBYVTECGTKW-UHFFFAOYSA-N 368.742 4.669 0 1 FJAF Cc1ccc(F)cc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587730818 YIJOVKXFZGWRAJ-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)c(OC)c1C 587787638 NDEVHFLZOHFOAL-UHFFFAOYSA-N 372.424 4.787 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3[nH]ccc3c2)N1 587801656 HRLPYCKZDJHUDA-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3)CC2)N1 587821404 UUIQXDRFIDFWCG-SGTLLEGYSA-N 360.270 4.895 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C(C2CCC2)(C2CCC2)N1 587822089 ZVJBCTSQFIFYPY-NSHDSACASA-N 352.291 4.918 0 1 FJAF Oc1cc(-c2ccccc2)c(O)n1-c1cc(Cl)cc(Br)c1 587939852 GACWVTPKXXWAGI-UHFFFAOYSA-N 364.626 4.971 0 1 FJAF Brc1nccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c12 587962114 RUJVWPSPIVLBMY-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF Cc1c(F)ccc2c1[C@@H]([C@@H]1CCCN(Cc3ccccc3)CC1)NCC2 962298519 MOEWNZPVTRUJRC-NFBKMPQASA-N 352.497 4.623 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(F)cc1F)C(C)C 963053155 GUOVZQQVZCFVTI-JOCHJYFZSA-N 368.427 4.567 0 1 FJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C(=O)NC(=N)NC(=O)C=C(C)C 1857637371 NFILAEFIWXBRPE-CBXDKUCNSA-N 359.514 4.539 0 1 FJAF COc1ccc(C[C@H]2NCCc3c2[nH]c2ccc(C(C)C)cc32)cc1OC 26665778 ZLJVEUHUDWRXMP-HXUWFJFHSA-N 364.489 4.738 0 1 FJAF CCOc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl 29126293 PNEILCJIFNKVOD-UHFFFAOYSA-N 363.248 4.585 0 1 FJAF c1ccc2c(c1)Cc1cc(C3(Cn4ccnc4)SCCS3)ccc1-2 29342115 IZPIRALNICPLMQ-UHFFFAOYSA-N 350.512 4.787 0 1 FJAF Cc1cc(C(=O)Nc2nccs2)cc(Cl)c1NC(=O)CC(C)(C)C 66066267 NLAQJDDYBPPBIO-UHFFFAOYSA-N 365.886 4.732 0 1 FJAF CC(=O)Nc1cccc(NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72110858 ONAJBEIVWPVZQQ-HSZRJFAPSA-N 366.505 4.974 0 1 FJAF CCCCNC(=O)c1cnc(NCc2ccccc2)nc1-c1cccc(C)c1 82145451 QNSUFWICOWXPMY-UHFFFAOYSA-N 374.488 4.594 0 1 FJAF c1ccc(N2CCN(Cc3cn(-c4ccccc4)c4ccccc34)CC2)cc1 103265623 BKPIXRLXLDCBJM-UHFFFAOYSA-N 367.496 4.953 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 103539214 OGIAMTJYHURKCL-VZCCSQPZSA-N 351.381 4.677 0 1 FJAF Cc1ccc([C@H](NC(=O)c2c(C)cccc2C)C23CCC(CC2)CN3C)o1 141432634 HGOOAHFAWANHJW-STDCAVTESA-N 366.505 4.550 0 1 FJAF CCCCNc1c(-c2ccc(-c3c(C)noc3C)cc2)nc2cnccn12 299840809 WHUNFZTTZZAXKX-UHFFFAOYSA-N 361.449 4.880 0 1 FJAF Cc1c(Br)cc2[nH]c(C3=Cc4cccc(O)c4OC3)nc2c1C 586907545 HGZDWQAQRFBPLT-UHFFFAOYSA-N 371.234 4.581 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2c(Br)cnc(Cl)c2[nH]1 587067085 MYKBMLYUKWYUSF-UHFFFAOYSA-N 372.053 4.736 0 1 FJAF CCOC(=O)c1ccc2nc([C@@H](C)Oc3ccc(Cl)cc3C)[nH]c2c1 587067754 NZYLSWSTZQDDIX-GFCCVEGCSA-N 358.825 4.841 0 1 FJAF Cc1cccc2nc([C@H](C(C)C)N(C)C(=O)OCc3ccccc3)[nH]c12 587198940 RJJDTFMBKCNBRA-IBGZPJMESA-N 351.450 4.837 0 1 FJAF CCNc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587756251 QKVHIKDKUIZLPS-BBATYDOGSA-N 363.274 4.644 0 1 FJAF CC(C)O[C@H]1C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)C1(C)C 587813578 VNVPKWVKFYUJJS-VOZBZGINSA-N 370.306 4.541 0 1 FJAF COc1ccc(Cc2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)cc1OC 587927109 OCYOXMZTNXWXOB-UHFFFAOYSA-N 370.758 4.843 0 1 FJAF Cc1cc2c(n1C[C@@H](c1cccc(Br)c1)N(C)C)CCCC2 587942045 YSCOKTMTPQKSIQ-IBGZPJMESA-N 361.327 4.741 0 1 FJAF C[C@@H]1C(=O)CC[C@@H]1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587961423 FTFNFLJHAOMSKW-JGVFFNPUSA-N 364.289 4.758 0 1 FJAF Cc1cccc([C@@]2(c3ncco3)NCCc3c(Cl)cc(Cl)cc32)c1 963115396 ADBDHINMLJYJJB-LJQANCHMSA-N 359.256 4.727 0 1 FJAF CCCN1[C@H](c2ccc3cc(NC(C)=O)ccc3n2)c2ccccc2C[C@H]1C 963237736 ZHBLCLBYCMVPDH-GYCJOSAFSA-N 373.500 4.939 0 1 FJAF CCCCc1ccc([C@]2(c3cccc(C)n3)NCCc3ccc(O)cc32)cc1 963350383 BIBCVXRXWHEPHN-VWLOTQADSA-N 372.512 4.876 0 1 FJAF Cc1nc(-c2ccccc2)cc([C@@H]2COC3(CCCCC3)O2)c1C(=O)O 1857618932 RTQJWVVDUXVHRU-SFHVURJKSA-N 353.418 4.504 0 1 FJAF C[C@H](Nc1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)c1ccc(Cl)cc1 1857643777 NTROMQQIVDDQPC-KBPBESRZSA-N 369.896 4.847 0 1 FJAF O=c1ccc2ccc(OCCCCCCCCN3CCCCC3)cc2o1 1857772500 IKFRSQNYXPTXCK-UHFFFAOYSA-N 357.494 4.998 0 1 FJAF C[C@@]1(c2nnc(-c3ccc(F)cc3)o2)CC(c2ccc(Cl)cc2)=NO1 13478338 OQFDRJIIIXVWKC-SFHVURJKSA-N 357.772 4.569 0 3 FJAF CC(C)CCNC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775439 ZPJRKICPEFYPBC-UHFFFAOYSA-N 358.438 4.985 0 1 FJAF COc1ccccc1CN(Cc1ccc(-c2ccccc2)cc1)n1ccnc1 3639501 WDEPUHQRWNQCJL-UHFFFAOYSA-N 369.468 4.897 0 1 FJAF c1ccc(CCN2CCC3(CCc4c3n[nH]c4-c3ccccc3)CC2)cc1 13763874 VOWFPVSNWUSCMB-UHFFFAOYSA-N 357.501 4.599 0 1 FJAF O=C(NCc1ccc(C(F)(F)F)c(F)c1)Nc1cccc2[nH]ccc12 14973828 AGCHCFDXRNRRRU-UHFFFAOYSA-N 351.303 4.648 0 1 FJAF CN1C2=C[C@@]3(O[C@H]2C(C)(C)c2ccccc21)N(C)c1ccccc1C3(C)C 17142146 IKTUDKBXMZIAIC-QPPBQGQZSA-N 360.501 4.821 0 1 FJAF biogenic Nc1ccc(OCc2ccsc2)cc1/C=C(/C(=O)O)c1ccccc1F 26656408 HXWASNKHAAIUMD-LICLKQGHSA-N 369.417 4.674 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)C(C(=O)c1ccccc1)=NCC2 27560939 GAGNTYGXKUPHLK-UHFFFAOYSA-N 371.436 4.502 0 1 FJAF Oc1ccc(Cl)c(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)c1 34228216 YRRJWQJFPYNRJW-UHFFFAOYSA-N 366.730 4.660 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 34315808 YEULSAXOJYTLCB-JGGWIOMSSA-N 359.554 4.739 0 1 FJAF Cc1ccc(C[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45301189 LLOBTJUATYGLGK-HNAYVOBHSA-N 351.412 4.576 0 1 FJAF COc1c2c(c(OC)c3occc13)OC1(CCCCC1)c1snnc1-2 64453851 KTFOXISVCSSDLY-UHFFFAOYSA-N 358.419 4.520 0 1 FJAF O=C(O)CCc1ccc(OCc2cccc(OCc3ccccc3)c2)cc1 66114185 WDOULRHADXBLKD-UHFFFAOYSA-N 362.425 4.862 0 1 FJAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)ncn2)cc1 82067328 RINBHRNIRDMPQP-MPGHIAIKSA-N 353.466 4.762 0 1 FJAF Cc1ccc(C(=O)N2N=C(C(C)(C)C)C[C@@H]2c2ccc3c(c2)OCO3)cc1 95555408 XGFUBLPTQWSSNC-QGZVFWFLSA-N 364.445 4.713 0 1 FJAF Fc1ccc2c(c1)[C@@H]1c3cccc[n+]3[C@@H]2CC1(c1ccoc1)c1ccoc1 100722110 SOGQXJZSYCVAGC-FGZHOGPDSA-N 358.392 4.724 0 1 FJAF Cc1noc2c1[C@H](c1ccc(N(C)C)cc1)C1=C(O)CC(C)(C)CC1=N2 102552843 OJTVSEDPPHPOJS-SFHVURJKSA-N 351.450 4.899 0 1 FJAF Cc1cc2nc(CC3CCNCC3)n(Cc3ccc(Cl)cc3)c2cc1C 140353475 IELYGTRDWPOQLE-UHFFFAOYSA-N 367.924 4.897 0 1 FJAF CO[C@H]1C=C(Br)C(C)(C)[C@@]23CC[C@](C)(Cl)[C@@H](C2)O[C@]13C 199898668 QNMTWNMYZMLQNY-FHXAZYNBSA-N 363.723 4.645 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3cccc(Br)c3[nH]2)s1 587014675 OLECBKNQOFKSMX-VIFPVBQESA-N 366.284 4.855 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H](C)C[C@H](C(=O)O)C4)-c1ccccc1C2=O 587100566 CXZXPKROAHIXKT-STQMWFEESA-N 357.409 4.505 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2n1 587120241 DUBVUSJXEQFLNS-UHFFFAOYSA-N 359.355 4.818 0 1 FJAF CCCc1nc(-c2nc3c(C)cc(Cl)cc3[nH]2)nn1-c1ccccc1F 587156664 PSKFHSZGICSHPE-UHFFFAOYSA-N 369.831 4.864 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2ccc(Cl)cc2[nH]1 587201150 HWCJJSGZCQTTJK-UHFFFAOYSA-N 351.878 4.797 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(Br)cc1C)O2 587378583 VXWFOPPKHDILDE-GOSISDBHSA-N 360.251 4.529 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC(c1cccc(F)c1)(c1cccc(F)c1)O2 587384011 IVORAABXSWWTKH-UHFFFAOYSA-N 365.379 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(Cl)cccc31)CC2=O 587463626 ZALDUIQRIBGHMG-FQEVSTJZSA-N 358.821 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3c(s1)C[C@H](C)CC3)CC2=O 587495687 PTUOMTXRDGPZRD-PIGZYNQJSA-N 357.475 4.633 0 1 FJAF C[C@@]1(c2ccc(Br)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497954 NJDPPFUNWYRYLY-IBGZPJMESA-N 372.262 4.604 0 1 FJAF COc1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)c(OC)c1 587631608 QLYVCAAMZSGBFS-UHFFFAOYSA-N 362.788 4.538 0 1 FJAF CCc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3c(C(=O)O)cccc23)cc1 587637503 AQACTBADUHNXOK-UHFFFAOYSA-N 361.319 4.678 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc3ccccc23)N1 587777148 FNAXFQADWFNMNO-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2ccc(C(F)(F)F)cc2[nH]1 587787218 LQAODMMPKIVROU-UHFFFAOYSA-N 362.351 4.714 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](C2Cc3ccccc3C2)N1 587822373 KAZZXODVMMUACP-WYRIXSBYSA-N 360.270 4.579 0 1 FJAF CCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849647 UXBNZIOUZVHEKV-FVMDXXJSSA-N 354.288 4.836 0 1 FJAF Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(F)cc3)cs2)n1 587922512 POYAPUJMQNBKGU-UHFFFAOYSA-N 355.360 4.716 0 1 FJAF O=C(O)c1cc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2cc1F 587956988 XSJWYNXCXPMYLQ-MRXNPFEDSA-N 360.388 4.775 0 1 FJAF Brc1cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c2cc1Br 587966404 FFCUTFKZTFOOBN-DJLDLDEBSA-N 368.072 4.768 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1ccc(-c3ccccc3)nc1)N(C)[C@@H](C)C2 962627101 KRGISSREDCMKHU-UPCLLVRISA-N 374.484 4.732 0 1 FJAF CCOC(=O)c1c([C@@H]2NCCc3cccc(-c4ccccc4)c32)[nH]c(C)c1C 962669100 PAKJYIDKRPIKMN-JOCHJYFZSA-N 374.484 4.710 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccnc(-c3cccnc3)c2)N1 962953785 WGZSZSXQVJGAKA-HTAPYJJXSA-N 354.457 4.639 0 1 FJAF O=C(O)COc1ccc(NCc2cccc(-c3ccccc3)c2)cc1F 1857614467 WMHHBFMCSCOKOQ-UHFFFAOYSA-N 351.377 4.568 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](C3CCCCC3)O[C@H]2c2ccc(F)cc2)O1 72139812 SHUZCSLLNLXETE-LPHOPBHVSA-N 360.425 4.800 0 3 FJAF CC(C)=CCn1c2c(ccc1=O)[C@@H](NCCc1ccccc1Cl)CCC2 13743300 JIEGOIANEFFTCT-FQEVSTJZSA-N 370.924 4.678 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)CCN=C2Cc1ccccc1 29309597 FAKBKTUOYGNBQM-UHFFFAOYSA-N 357.453 4.862 0 1 FJAF CC[C@H](c1ccc(O)c(N(C)C)c1)[C@@H](CC)c1ccc(O)c(N(C)C)c1 40466670 VAVPDGBRUPQPMZ-HDICACEKSA-N 356.510 4.917 0 1 FJAF CCCC(=O)Nc1nc(-c2ccccc2F)cc(-c2ccccc2F)n1 66112481 MWYONDNCIIPSFP-UHFFFAOYSA-N 353.372 4.827 0 1 FJAF O=C1c2ccc(Nc3ccc(F)cc3F)cc2CCc2c(O)cccc21 95574087 XASOPRZISFGGAZ-UHFFFAOYSA-N 351.352 4.744 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 100773546 MRDOIVGFARRMGI-XRXFAXGQSA-N 359.473 4.779 0 1 FJAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cncs2)c1 113768099 ZBMVFELJPYWEDW-OAHLLOKOSA-N 366.486 4.550 0 1 FJAF Clc1cnc2nc1NCCCc1cccc(c1)OCc1cccc(c1)N2 142442730 PGBXYNXDKMTLPH-UHFFFAOYSA-N 366.852 4.811 0 1 FJAF Cc1cc2[nH]c(-c3ccc(OC(F)F)cc3)nc2cc1Br 308432793 HFLKBUBXZRTEME-UHFFFAOYSA-N 353.166 4.902 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc4ccccc4cc3[nH]2)c1 586983066 VKLQTPDHCWXKLH-UHFFFAOYSA-N 351.203 4.958 0 1 FJAF COc1cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2cc1OC 587052910 STKYPBUPHSCDKV-UHFFFAOYSA-N 353.809 4.691 0 1 FJAF COc1cncc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc12 587072105 VLZCCWLMEDWOCM-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1cccc(-c2nc3ccnc(Br)c3[nH]2)c1C(F)(F)F 587098126 RLPVVFCTGQHVDR-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1c(Cl)ccc2nc(-c3ccc(C(F)(F)F)cc3C(=O)O)[nH]c12 587107523 BCSJEUCFEPKJQA-UHFFFAOYSA-N 354.715 4.909 0 1 FJAF C[C@H](c1nc2cccc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129850 MEICHBIKVOEAFY-RXMQYKEDSA-N 362.714 4.603 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3ccnc(Cl)c3[nH]2)c1 587196137 QFYCXUOSZIMGNC-UHFFFAOYSA-N 372.856 4.958 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCc2c1nc1cccc3c1c2CC3 587211860 ITUZMOPXCSVOHY-PKOBYXMFSA-N 364.489 4.763 0 1 FJAF CC[C@]1(c2ccc(Br)cc2)CC(=O)c2cc(C)cc(N)c2O1 587372610 QAAINFMGPPURDY-GOSISDBHSA-N 360.251 4.610 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(SC)c(OC)c1)CC2=O 587491783 NGBNBNFDOWMNCW-NRFANRHFSA-N 372.486 4.956 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3ccncc3)s1)CC2=O 587492612 AXSWLRLTHXFCIW-KRWDZBQOSA-N 366.442 4.570 0 1 FJAF CC(C)(C)OC(=O)Nc1c(-c2ccccc2)[nH]c2c(C(=O)O)cccc12 587639056 ZTAPYHCZXZSRGG-UHFFFAOYSA-N 352.390 4.880 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726591 YBHBPWINTUVSGM-BBATYDOGSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc(F)cc2)N1 587733843 MBHFZYTZVSLOBI-BTDLBPIBSA-N 352.222 4.525 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCc3ccccc3C2)N1 587817428 KZSFOFIZRHZOAN-BUXKBTBVSA-N 360.270 4.507 0 1 FJAF C[C@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824611 XTPMFUGLNSUMCK-CRTZDJKQSA-N 360.270 4.558 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](c2cccs2)(C2CC2)N1 587855492 WAGYMYNIBNJRDE-DYZYQPBXSA-N 366.299 4.838 0 1 FJAF CCOc1ccc(OCC)n1-c1cnc2cc(Br)ccc2c1 587940346 OOZVGUTYMGONGH-UHFFFAOYSA-N 361.239 4.585 0 1 FJAF Cc1cc2c(cc1F)[C@]1(C=C(c3ccccc3)Oc3cc(N)ccc31)NCC2 962297527 JNVHURDNYNVMKD-XMMPIXPASA-N 372.443 4.539 0 1 FJAF C[C@@]1(c2cccc3sc(N)nc23)NCCc2cc(-c3ccccc3)ccc21 962661603 JXIOPHXIGZOSBV-HSZRJFAPSA-N 371.509 4.955 0 1 FJAF CC[C@H](C)Sc1nc(O)c(C)c([C@H](OC)c2c(F)cccc2Cl)n1 1857548532 MZAVJDGYAPRWPH-BJOHPYRUSA-N 370.877 4.910 0 1 FJAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4[C@@H](O)CC[C@@]5(C)C[C@]45CC[C@@H]3C2)O1 2356562420 SKELSLCGYZIGFV-QRSHLADNSA-N 362.554 4.912 0 1 FJAF Cc1c(Cc2c(Cl)cccc2Cl)nc(SCC(C)C)[nH]c1=O 13556526 UGZFCHOGFAEXKF-UHFFFAOYSA-N 357.306 4.724 0 1 FJAF C[n+]1ccc2ccccc2c1CCCCCc1c2ccccc2cc[n+]1C 28712414 MOKFBIHQNJRXAH-UHFFFAOYSA-N 356.513 4.598 0 1 FJAF C[C@H]1CCCN(c2ccc(N(C)C)cc2C(=O)c2ccc(Cl)cc2)C1 29325788 CAXJLBQAJVQXSW-HNNXBMFYSA-N 356.897 4.873 0 1 FJAF CCCCCn1c(-c2ccc(OC)cc2)nc2c(NCC3CC3)ncnc21 82179651 UZEARMAKKVLMAY-UHFFFAOYSA-N 365.481 4.514 0 1 FJAF Cc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@]3(C)C[C@H]2c2ccccc2O3)cc1 102737180 WECSMEKBFPEVLX-JQEDJLELSA-N 361.441 4.575 0 1 FJAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C=C(C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 253638202 OYVGUGDAAZPUSG-PKBPYOBISA-N 360.538 4.895 0 1 FJAF Cc1c(-c2ccc(F)cc2F)noc1-c1ccc2c(c1)CN(C(C)C)C2=O 299858448 RSAAGCWSUZIMPM-UHFFFAOYSA-N 368.383 4.959 0 1 FJAF COc1ccc2c(c1)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586992776 TXWFIBLPKHKQRB-UHFFFAOYSA-N 365.388 4.732 0 1 FJAF COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1Cl 587092642 XYBRXNJUEVDLBM-UHFFFAOYSA-N 373.787 4.941 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2ccnc(Cl)c2[nH]1 587137317 ZKLHCWGKIMBQTC-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF COc1cccc(-c2cc(-c3cc[nH]c(=N)n3)nc3c2oc2ccccc23)c1 587363104 PBUDITNWDRRXQU-UHFFFAOYSA-N 368.396 4.526 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCc1cccc(C(F)(F)F)c1F)O2 587383334 WEZOWMBWHZREIG-LBPRGKRZSA-N 367.342 4.702 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(OC)ccc1-c1ccccc1)[C@@H](C2)C3=O 587444554 VCZCEBKTAXJMBL-RDPSFJRHSA-N 372.420 4.860 0 1 FJAF C[C@@]1(c2cc3ccccc3[nH]2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587591770 WXDQQCQFLLWNSV-OFNKIYASSA-N 371.392 4.751 0 1 FJAF Cc1cc(F)ccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587730078 WSUYBVRGVFRGBZ-BMLIUANNSA-N 352.222 4.659 0 1 FJAF CCc1ccc(C(=O)n2nc(-c3ccccc3C(F)(F)F)cc2OC)cc1 587862665 UYXOIKDOINAMEA-UHFFFAOYSA-N 374.362 4.828 0 1 FJAF C[C@H](O)c1ccc(Nc2nc(NCc3ccco3)c3ccccc3n2)cc1 1772634201 WMOYXAFPCAUKLI-AWEZNQCLSA-N 360.417 4.632 0 1 FJAF CC[C@@H](C)Nc1nc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 752828 VDVSQPNAXYRHBL-CYBMUJFWSA-N 367.449 4.533 0 1 FJAF CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 13393277 FSOGIJPGPZWNGO-CYBMUJFWSA-N 372.461 4.894 0 1 FJAF endogenous,in-man CC(C)=CCOc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1 14489969 FNMKZDDKPDBYJM-UHFFFAOYSA-N 350.370 4.534 0 1 FJAF biogenic Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@H]2c2nc(-c4ccccc4)no2)N3C)cc1 26659808 WYJIEKRDCVWTRP-ANULTFPQSA-N 359.473 4.779 0 1 FJAF O=C(O)c1cccc2[nH]c(-c3ccc(Oc4c(F)cccc4F)cc3)nc12 113982631 QINIBKSDESCWHX-UHFFFAOYSA-N 366.323 4.999 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@H]1C[C@H]2CC[C@H]1C2 137673620 CCQPFCCZWSBRTL-KOXIVNATSA-N 361.441 4.755 0 1 FJAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@H]2c2cccs2)C[C@H]1C 195479930 UKJSXJBJJJWIHD-VOZBZGINSA-N 368.458 4.629 0 1 FJAF CCn1c(=N)n(CCCOc2ccc(Cl)cc2Cl)c2ccccc21 299818507 AIZQUUGFNWVRQW-UHFFFAOYSA-N 364.276 4.718 0 1 FJAF CCC(=O)N(c1ccccc1)[C@H]1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1 299820367 OLHSRBZZORBSLQ-NUNAXRQHSA-N 362.517 4.668 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccnc3Cl)nc3ccc(O)c1c23 586987134 TXZUKVMUXKTAQA-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF Oc1c(F)cc(F)cc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587134975 YQOALYSTGQLSBP-UHFFFAOYSA-N 359.557 4.630 0 1 FJAF COc1cccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c12 587137797 LSROFXYCPYDMMK-UHFFFAOYSA-N 355.594 4.794 0 1 FJAF COc1ccc(Cc2nc3cc(Br)c(C)c(C)c3[nH]2)c(F)c1 587149111 PQUSKUANFDAEAB-UHFFFAOYSA-N 363.230 4.681 0 1 FJAF N[C@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F 587155689 KBISFFRXNHKRAO-QLJPJBMISA-N 369.749 4.716 0 1 FJAF CSc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167249 JJFLORWGYYELEZ-KRWDZBQOSA-N 370.453 4.793 0 1 FJAF CCO[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587351129 GCBYGMQNTGSMSN-KCZVDYSFSA-N 370.420 4.608 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)[C@H]1c1ccc(F)cc1 587354227 PWIBXDMPSLVCRL-YYGLUBFGSA-N 364.416 4.695 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1c(Cl)ccc(F)c1Cl)O2 587380619 BAJJBGAPSMGQPF-KRWDZBQOSA-N 354.208 4.904 0 1 FJAF Cc1cc(Cl)c2nc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2c1 587499872 NNLZONSMTIOZPQ-LJQANCHMSA-N 366.848 4.881 0 1 FJAF O=C1C[C@H](c2c(O)cccc2Br)Oc2c1ccc1c2CCCC1 587500653 UELUHQNLROGYTD-QGZVFWFLSA-N 373.246 4.740 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)ccc(F)c1F 587558380 RPYVYTUUJVDJHQ-JXFKEZNVSA-N 372.298 4.512 0 1 FJAF CCC(=O)c1c(-c2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587636720 FTKNMIFHSISTSS-UHFFFAOYSA-N 372.218 4.888 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc(O)ccc2Cl)N1 587692482 HGEYOYBOYLMUOU-ZKANADHPSA-N 370.649 4.571 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725703 RRRZDIBVZSPQAQ-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3ncccc23)N1 587780150 YWCONOCCQOGFPV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(N1)c1ccccc1CC[C@H]2C 587818870 GDDDQBNJRASUAR-IZDJOXEWSA-N 374.297 4.948 0 1 FJAF Cc1cc(O[C@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1Cl 587872095 GZTIYFBQAWLULF-LLVKDONJSA-N 372.783 4.864 0 1 FJAF O=C(O)c1cccc2c1CCN[C@]21CCC[C@H](c2ccc(Cl)s2)C1 963129524 GFNZCOPKQDHQTG-BUXKBTBVSA-N 361.894 4.799 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCc1c2[nH]c2cc(N)ccc12 963229670 OSXMTUJZLRITGS-GYCJOSAFSA-N 359.517 4.987 0 1 FJAF CC(C)COc1ccc(C(=O)OCC[C@H]2CCCN3CCCC[C@H]23)cc1 4610442 TVPOHZDOAWMQLL-WIYYLYMNSA-N 359.510 4.533 0 1 FJAF biogenic CCOc1ccc(Nc2nc(N)c(C(=O)c3ccccc3Cl)s2)cc1 8600141 BRRVRYQHILSEMW-UHFFFAOYSA-N 373.865 4.752 0 1 FJAF aggregator Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(Cl)cc1Cl 28352756 ZRFRMAUYISSNTM-UHFFFAOYSA-N 370.257 4.979 0 1 FJAF CN(C)[C@H]1CCCC[C@H]1Oc1ccc(-c2cccc(N)n2)c2ccccc12 29343550 HAUBUNNZVAGIGM-RBBKRZOGSA-N 361.489 4.736 0 1 FJAF C[C@@](O)(c1ccc(C(=O)N(CC2CC2)C2CCCCC2)cc1)C(F)(F)F 34853886 LZPTUQPRKHRPEL-LJQANCHMSA-N 369.427 4.641 0 1 FJAF COc1ccc(Sc2nc3cc(N)cc(N)c3nc2-c2ccccc2)cc1 40943329 YAMJDKJAVOJLBD-UHFFFAOYSA-N 374.469 4.621 0 1 FJAF CO[C@@H]1Cc2ccccc2[C@]2(CCCN(CCCCc3ccccc3)C2)O1 45255144 CSPPYCUFANIFMM-BJKOFHAPSA-N 365.517 4.546 0 1 FJAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)CC1CCCC1 59262436 DKVILNAQMBVZGF-GHTZIAJQSA-N 369.553 4.577 0 1 FJAF CC(C)(C)C(=O)N1CC[C@@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 72104291 WPOMEMRUSBHGPF-APWZRJJASA-N 363.457 4.889 0 1 FJAF CC(C)(Oc1ccc(CCCOc2nc3ccccc3s2)cc1)C(=O)O 95560231 HRBOXTXPCULZRY-UHFFFAOYSA-N 371.458 4.550 0 1 FJAF Cc1cc2cc(NC(=O)C3CC3)ncc2nc1-c1cc(F)ccc1Cl 144310250 JLBDGIWETORLNE-UHFFFAOYSA-N 355.800 4.746 0 1 FJAF CCCCC[C@H](O)CCC[C@@H](CCCCCCC(=O)O)SCCO 144345594 CHQQWSXEHAIOJB-ZWKOTPCHSA-N 362.576 4.617 0 1 FJAF CCCCC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 299867721 YONMFMTXEOLUIW-INIZCTEOSA-N 350.934 4.637 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C=CC1(CCOCC1)C3 586990009 CAUDOGRPBXHAIJ-UHFFFAOYSA-N 369.420 4.518 0 1 FJAF Cn1cc2ccc(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cc2n1 587105171 RDFOOAWOPDFVDY-UHFFFAOYSA-N 361.404 5.000 0 1 FJAF N=c1[nH]ccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141653 YUXGMRLYXABEPA-UHFFFAOYSA-N 368.412 4.608 0 1 FJAF Fc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)nc1Br 587156193 YUJSGIZYVFTTGG-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1ccc(C)c2[nH]c(/C=C/c3cccc(I)c3)nc12 587185197 ZDWGUGUKZPPMPT-CMDGGOBGSA-N 374.225 4.955 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cc(Cl)cc(F)c2[nH]1 587201198 JSTNPUUANRNQEZ-UHFFFAOYSA-N 369.868 4.936 0 1 FJAF Cc1nn(-c2ccccc2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587514004 DBYYQCMTFYSRNU-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF C[C@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587549935 TYYLNBMSZJMXTA-WIYYLYMNSA-N 366.800 4.923 0 1 FJAF CSc1cccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587615910 ZXGKPJVQZZSKFD-WIYYLYMNSA-N 364.422 4.817 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(F)c(F)cc2F)N1 587714454 FTZUJDXTURKZAW-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF CC[C@]1(Cc2ccccc2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814606 UWVRNKLCVHOCMV-ORAYPTAESA-N 362.286 4.970 0 1 FJAF COc1ccc(OC)n1-c1ccc(Oc2ccc3c(c2)CCC3)c(F)c1 587945876 SBPFATFPPYONIE-UHFFFAOYSA-N 353.393 4.915 0 1 FJAF N[C@@H](N=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950554 RVGKXZANEJRTCQ-NRFANRHFSA-N 358.401 4.670 0 1 FJAF Cc1ccnc([C@@]2(c3c(C)cccc3C)NCCc3ccc(F)c(C)c32)c1 962295119 CJCSCNOFGRZXFE-DEOSSOPVSA-N 360.476 4.892 0 1 FJAF COC(=O)C[C@@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962656656 BQHWICHXRNIAPQ-RUZDIDTESA-N 371.480 4.500 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cnn(-c2ccccc2Cl)c1 963089401 HCQDJRHHQHKDSS-LAUBAEHRSA-N 367.855 4.775 0 1 FJAF CCCc1ccc(-c2c[nH]nc2-c2cc(OC)c(OC)c(OC)c2)cc1 1857589327 WEHHTGPYZRUSBY-UHFFFAOYSA-N 352.434 4.722 0 1 FJAF CCCCn1c(-c2cc(-c3ccc(C)cc3)[nH]c(=N)n2)nc2ccccc21 1857770049 OECGGSAAQPQJLE-UHFFFAOYSA-N 357.461 4.681 0 1 FJAF CCCOc1ccc(-c2cc3onc(-c4ccccc4)c3c(=O)n2C)cc1 61959472 IRHUTDKCNPQMPS-UHFFFAOYSA-N 360.413 4.649 0 3 FJAF CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc2ccccc12 2721953 WKBXGWJYQDGZNH-UHFFFAOYSA-N 358.397 4.750 0 1 FJAF Cc1c(CCC(=O)O)c[nH]c1/C=C1\C(=O)Nc2cc(-c3ccccc3)ccc21 3834041 CEFJMJRPRONXNH-UNOMPAQXSA-N 372.424 4.500 0 1 FJAF CCCN(CCCc1ccccc1)CCc1ccc2nc(S)[nH]c2c1 5883263 YPNWEKIQMJCAGO-UHFFFAOYSA-N 353.535 4.739 0 1 FJAF CC(=O)O[C@@H]1C=C2C(C)(C)CCC[C@]2(C)[C@](O)(CCc2ccoc2)[C@@H]1C 33829842 SGXFKBQPKLDSQY-ALALXSPKSA-N 360.494 4.668 0 1 FJAF biogenic CCCOc1ccc(-c2cc(OCCN(C)C)c3ccccc3n2)cc1 96271011 RJCNEUGHMINGKU-UHFFFAOYSA-N 350.462 4.631 0 1 FJAF CC(C)c1nc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(Cl)s2)n1 209144861 DZUJRAMWYSUHJU-UHFFFAOYSA-N 374.853 4.819 0 1 FJAF O=C(NCc1cccc(C(F)(F)F)c1Cl)[C@H]1CCCc2ncsc21 220887690 OASWWNQRELWIIR-JTQLQIEISA-N 374.815 4.552 0 1 FJAF O=C1c2ccccc2[C@]2(c3ccc(Cl)cc3)N1CCN2c1ccccc1 299857384 CSKBSJGYTRSSFC-QFIPXVFZSA-N 360.844 4.517 0 1 FJAF CCc1oc2ccccc2c1-c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586904387 USOOXPGDIYBFNU-UHFFFAOYSA-N 366.730 4.952 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(C(=O)O)ccc2[nH]1 587067215 YZZWBOFOYPBDEQ-UHFFFAOYSA-N 351.793 4.681 0 1 FJAF Fc1ccc2nc(-c3cc(C(F)(F)F)ncc3Br)[nH]c2c1 587116121 OQJPNMSOICUBNE-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CCCCOc1cc2nc(COC(F)(F)F)[nH]c2cc1Br 587126182 WWDDJZWQENGJGP-UHFFFAOYSA-N 367.165 4.541 0 1 FJAF Cc1c(Br)ccc2nc([C@H](C)c3ccc(N(C)C)cc3)[nH]c12 587197483 PPODZRZAGYMOIX-LLVKDONJSA-N 358.283 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccn(Cc3ccccc3)c1)CC2=O 587468962 CDGMDSPKACTNFC-QFIPXVFZSA-N 361.441 4.901 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N(CC)CC)cc1)CC2=O 587470374 SXAYCYOIEWHEKF-OAQYLSRUSA-N 353.462 4.897 0 1 FJAF CCCOc1ccc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 587480471 KFYCLBYIXCKCGN-FQEVSTJZSA-N 356.418 4.546 0 1 FJAF O=C1C[C@@H](c2ccc(O)c(OCC3CC3)c2)Oc2c1ccc1c2CCCC1 587526902 UZBZXLQAZVNZNM-NRFANRHFSA-N 364.441 4.766 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)cc1Cl 587570403 WQQOWAKUBYQQDW-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF C[C@@H]1CC(C)(C)C[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601998 GPISBMUFNJGBRI-JVJLVOBOSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cncc3ccccc23)N1 587775808 ADOIJBFCBQINDL-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF O=C(Cc1nc2ccc(Oc3ccccc3)cc2[nH]1)OCc1ccccc1 587783110 XNNBTRKTEYVLAM-UHFFFAOYSA-N 358.397 4.641 0 1 FJAF Cc1ccccc1OC[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587802045 PIBRYPQKUDKDIH-DOMZBBRYSA-N 364.258 4.551 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3cc(Br)c(F)cc31)[C@H](C)C2 587824815 YVVRQDTUQCUWAC-MTJIALIYSA-N 374.297 4.867 0 1 FJAF COc1cccc(C(=O)c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)c1 587932084 LEBPPTXEXLLIMO-UHFFFAOYSA-N 363.804 4.518 0 1 FJAF COC(=O)c1ccc2nc(/C=C/c3ccccc3Oc3ccccc3)[nH]c2n1 587949823 KZMMLJHGDZAIMI-SDNWHVSQSA-N 371.396 4.707 0 1 FJAF Brc1cc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2cn1 587960465 CMUBQXSWLKJEEW-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF COCC[C@@]1(c2ccc(F)cc2)NCCc2c(Cl)cc(Cl)cc21 963109130 OWATXYIVSCERBC-SFHVURJKSA-N 354.252 4.558 0 1 FJAF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1CC[C@@H](C)c2c(O)cc(C(=O)O)cc21 2356845370 OECIULCWWQFRHD-NHIYQJMISA-N 362.466 4.687 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1CSCCc1ccccc1 28094207 ZLEMKOGTMZQMLN-YWUFZFQUSA-N 374.546 4.957 0 1 FJAF CC1(C)CC(C)(C)c2cc(C3(c4ccc(C(=O)O)cc4)OCCO3)ccc21 39035256 ISZBCQLHSNHWLM-UHFFFAOYSA-N 366.457 4.592 0 1 FJAF in-vitro O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1ccc2ccccc2n1 40421437 YCCHQUOMZVHIOW-SFHVURJKSA-N 358.825 4.806 0 1 FJAF Clc1ccc([C@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 72184605 NTKIYDPPTOXAHC-JOCHJYFZSA-N 363.892 4.647 0 1 FJAF C[C@@H](CN1CC[C@]2(C)c3cccc(O)c3C[C@@H]1[C@@H]2C)OCc1ccccc1 101094074 CUHNXKIICYLWNY-XYSCPGAMSA-N 365.517 4.522 0 1 FJAF COc1ccc(/C=C2/C(=O)Nc3ccccc32)cc1O[C@@H]1C[C@H]2CC[C@H]1C2 253848942 CCQPFCCZWSBRTL-UCYOPBMRSA-N 361.441 4.755 0 1 FJAF Oc1cccc(CCCCc2nc3ccc(OC(F)(F)F)cc3[nH]2)c1 586896086 JNNFHOSRSXEQPF-UHFFFAOYSA-N 350.340 4.733 0 1 FJAF COC(=O)c1cc(Cl)c2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023363 JMOREUHYVMUESR-UHFFFAOYSA-N 369.833 4.793 0 1 FJAF FC(F)(F)c1ccc2nc([C@@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043106 YDWLLYGTMLLGFB-JKSUJKDBSA-N 363.408 4.528 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(N)cc1F 587135735 CBOCPDARWKABFZ-UHFFFAOYSA-N 351.784 4.921 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cccc(NC(=O)CC(C)(C)C)c3)nc12 587241491 DLJUQXYEPLFUQS-UHFFFAOYSA-N 356.857 4.961 0 1 FJAF COc1ccccc1[C@]1(C2CCCC2)CC(=O)c2cc(C)cc(N)c2O1 587398283 DTPXLDCZPYJWCB-JOCHJYFZSA-N 351.446 4.637 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc4c(c3)OCO4)cc1)O2 587408747 OBJMAWZXGLLOIQ-NRFANRHFSA-N 373.408 4.679 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3cc(Cl)ncc13)CC2=O 587462804 TXDLHCVFYAYFQS-QGZVFWFLSA-N 356.809 4.581 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1C 587522640 GLAOTVJNDMQARZ-NRFANRHFSA-N 352.430 4.598 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(F)c(F)c1F 587554765 FHKOFOPABVAKCR-FOIQADDNSA-N 372.298 4.512 0 1 FJAF C[C@@]1(C2CCC(F)(F)CC2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559202 ZNXUYBVRVWYSQM-PXNSSMCTSA-N 374.383 4.938 0 1 FJAF C[C@@]1(c2ccc3[nH]ccc3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587588029 IZFPDEGAOIUZPE-REWPJTCUSA-N 371.392 4.751 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(F)c(F)c2F)N1 587714795 BPJRAOVNHHPWTD-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(F)cc(F)c2F)N1 587721933 WZKNRFDTALRTSS-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587926069 HFJPBUIHESFPAI-SNVBAGLBSA-N 366.248 4.824 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cccc(OC(F)(F)F)c3[nH]2)CC1 587951872 JGVQMIGEJZFYGA-PNESKVBLSA-N 372.387 4.539 0 1 FJAF CCc1ccc(C(=O)CCc2nc3ccc(Br)cc3[nH]2)cc1 587955537 MPLVPYKEHCWFCN-UHFFFAOYSA-N 357.251 4.703 0 1 FJAF CC(C)C[C@H](C)[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922237 ITRMKOMSBYAJDQ-WVFSVQOHSA-N 369.461 4.507 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc(-c3cccc(OC)c3)n2)N1 962940941 BBPFEROYDTWPAR-QRQCRPRQSA-N 373.456 4.845 0 1 FJAF Cc1sc2c(c1C)CCN[C@@H]2c1ccc(Br)c(C)c1F 963014938 WAFNFVMPGLKIGR-OAHLLOKOSA-N 354.288 4.810 0 1 FJAF COc1ccccc1CC[C@]1(c2ccccc2C)NCCc2c(C)ccnc21 963072538 MJJHICGRHVMSQO-RUZDIDTESA-N 372.512 4.729 0 1 FJAF COc1cccc2c1C(=O)[C@]1(CCCCN1CCc1ccccc1C)CC2 1772621824 FJOCVHATXSZKON-DEOSSOPVSA-N 363.501 4.600 0 1 FJAF Cc1cccc(C(=C2C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)c1 1857624468 HUZASWYVHNVIPP-UHFFFAOYSA-N 351.409 4.783 0 1 FJAF CC=C(C)[C@H](O)[C@H](C)C=C(C)C=CCC(C)=CCc1oc(O)cc(=O)c1C 2356696619 HYVNIEZADUZXIB-JPYJTQIMSA-N 372.505 4.998 0 1 FJAF CC1(C)CC2=C([C](NCc3ccc(Cl)cc3)c3ccccc3N2)[C@H](O)C1 2356842462 DCTCBJRTGMIECO-LJQANCHMSA-N 367.900 4.870 0 1 FJAF CCCCCn1nc(C(C)(C)C)cc1C(=O)NCc1ccc(Cl)cc1 2382247293 QZPUPNADMINWKA-UHFFFAOYSA-N 361.917 4.954 0 1 FJAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(-c2cc3ccccc3o2)cs1 61908943 AFWWUTMGDVFHEX-LJQANCHMSA-N 366.417 4.921 0 3 FJAF O=C(NC1CCCC1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6935655 BGPUFRBJOBJREW-UHFFFAOYSA-N 357.885 4.602 0 1 FJAF COc1ccccc1N1CCN(CCC[C@@H]2CCCc3ccsc32)CC1 13740675 LDTVGAHUVYKQFB-SFHVURJKSA-N 370.562 4.779 0 1 FJAF O=C(Nc1ccccc1)O[C@H]1C=CC=C[C@H](OC(=O)Nc2ccccc2)C1 16919298 TVUPLWUELDGWJI-OALUTQOASA-N 364.401 4.737 0 1 FJAF biogenic Cc1ccc(-c2nc(C(=O)N3CCCCC3)n(C)c2-c2ccc(C)cc2)cc1 28339837 ODFUPIJXHKDJJI-UHFFFAOYSA-N 373.500 4.997 0 1 FJAF COc1ccc([C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@@H]2N3C)cc1OC 28638193 UBUINJQFQXKDNL-UGTOYMOASA-N 351.490 4.746 0 1 FJAF COCSC1=C2CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CCC1=O 29329770 MLLXVMVHPAUKOD-LGZVPWNVSA-N 362.535 4.752 0 1 FJAF CC(=O)c1ccc2c(c1)N(CCCN(C)C)c1cc(C(C)=O)ccc1S2 29335634 WXRBGYDZETVCSH-UHFFFAOYSA-N 368.502 4.646 0 1 FJAF O=C1Nc2ccc(Br)cc2C1(c1ccccc1)c1ccccc1 29556501 MAJHNRPSZUBEHQ-UHFFFAOYSA-N 364.242 4.736 0 1 FJAF Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccc2cccnc2c1 40915711 SPVRNTZJWSWACV-UHFFFAOYSA-N 357.388 4.997 0 1 FJAF O=C(O)[C@@H]1CCCN(CC/C=C(\c2ccccc2)c2c(F)cccc2F)C1 66252489 MFJQMFNNMPTZDO-HJSBDDGSSA-N 371.427 4.583 0 1 FJAF CC1=CC[C@@H]2C(C)(C)[C@H](OC=O)CC[C@]2(C)[C@@H]1CC[C@@H](C)CCOC=O 85994192 CRPYXIIRNMAXKP-VNHVOUQCSA-N 364.526 4.916 0 1 FJAF biogenic COc1ccc2nc3c(cc2c1)C=NN=C(Nc1c(C)cccc1C)S3 98085387 PWXUVGBAKLQDMU-UHFFFAOYSA-N 362.458 4.768 0 1 FJAF c1ccc(CNCC[C@H]2COC(c3ccccc3)(c3ccccc3)CO2)cc1 473169241 MQXZNBYJMAMDBU-DEOSSOPVSA-N 373.496 4.526 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)cc(C)c2[nH]1 586916067 JMMXJXSDDGVXAG-QRWLVFNGSA-N 354.837 4.741 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2ccc(C(=N)N)cc2[nH]1 587015153 YVDCOWLCDXBRCV-UHFFFAOYSA-N 367.865 4.599 0 1 FJAF Oc1nc(-c2nc3ccc(-c4nc5ccccc5s4)cc3[nH]2)cs1 587019391 ZUTDMTTUJYFYDG-UHFFFAOYSA-N 350.428 4.669 0 1 FJAF Cc1nccc2[nH]c([C@@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587128813 DMLRUOMHKLKDMV-ZCFIWIBFSA-N 361.730 4.601 0 1 FJAF Fc1cc(Br)cc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587160835 FDHLFTRLUXZBNI-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(F)c(F)c2[nH]1 587169503 YAJBVJBNDBPGAA-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF Cc1ccc(CCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1N 587250919 SANLBYCLPPBYNN-UHFFFAOYSA-N 351.397 4.851 0 1 FJAF COc1cccc(-c2cc(Cc3cnn(C)c3)nc3c2oc2ccccc23)c1 587363835 OYUJLTHJNNVYQB-UHFFFAOYSA-N 369.424 4.981 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(OC(C)C)c(Cl)c1)O2 587376567 SGGNYANWKQGSHY-FQEVSTJZSA-N 359.853 4.898 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](CCCc1cccc(C(F)(F)F)c1)O2 587382101 NTAWSZKOZZGWNY-HNNXBMFYSA-N 363.379 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)ccc1OC(F)F)O2 587383979 XVQDWCPWXKXOEO-OAHLLOKOSA-N 353.752 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(C1CCC(C(F)(F)F)CC1)[C@@H](C2)C3=O 587424235 YBBFZTHDBOXCBV-TZQPCPOVSA-N 354.368 4.570 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccnc(-c3ccccc3)n1)CC2=O 587488779 JSKLZQAXIBGPFZ-FQEVSTJZSA-N 360.413 4.508 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1ccsc1)CC2=O 587497579 XDAKXYJUBJASNS-QGZVFWFLSA-N 354.431 4.503 0 1 FJAF O=C1C[C@]2(CCCCC[C@@H]2Cn2ccnc2)Oc2c1ccc1c2CCCC1 587513974 CNQNBUAABRASPV-JPYJTQIMSA-N 364.489 4.746 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724950 MPGICZSYYWDUSF-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF COc1ccc(/C=C\Cc2nc3ccc4nc(C)ccc4c3[nH]2)c(OC)c1 587928394 BBUXGYVLXCIYQZ-PLNGDYQASA-N 359.429 4.693 0 1 FJAF Cc1cc2oc(-c3cn4nc(Br)sc4n3)cc2cc1Cl 653763893 YODVYCFICAGHRC-UHFFFAOYSA-N 368.643 4.928 0 1 FJAF CCCCn1nc([C@@H]2c3ccsc3CCN2Cc2cccnc2)cc1C 962994479 DINBJDMGJIZGIW-NRFANRHFSA-N 366.534 4.596 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1cccc(OCCN(C)C)c1 963240673 LAJPFFSQVXVKKN-YADARESESA-N 366.549 4.547 0 1 FJAF Fc1ccc(CCCCN2[C@H]3CC[C@H]2CN(c2ccc(Cl)cn2)C3)cc1 2382223379 ZMDOIQGPLNKPIO-PMACEKPBSA-N 373.903 4.550 0 1 FJAF O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882125 WTLSILCKHMMQAL-HNNXBMFYSA-N 370.499 4.697 0 3 FJAF aggregator CCN(CC)C(=O)OCc1c(-c2cccc(OC)c2)ncc2ccccc12 36388744 VTTGAPFCLAXMEX-UHFFFAOYSA-N 364.445 4.889 0 3 FJAF CCOc1ccc(Cl)cc1-c1cc(C(=O)Nc2ccc(F)cc2)[nH]n1 61927212 PDJPDQNQAWPBCI-UHFFFAOYSA-N 359.788 4.520 0 3 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3cc(F)cc(F)c3F)cn12 3948377 SWLKWRLRWKYJKL-UHFFFAOYSA-N 358.323 4.592 0 1 FJAF FC(F)(F)c1cccc(-c2nnc3ccc(NC4CCCCC4)nn23)c1 16052733 XYYDXQCAYXOGQT-UHFFFAOYSA-N 361.371 4.555 0 1 FJAF in-vivo CCCCC[C@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)[C@@H](C)O 27090671 HQWDQCLZOGUKDS-LMNJBCLMSA-N 364.526 4.816 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1CCCN(CCc2ccccc2)CC1 28004297 DJCBYHBSPDXQNT-JOCHJYFZSA-N 350.506 4.527 0 1 FJAF COc1ccc(Cc2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)cc1 49050716 WATJUDKMSCNCAN-UHFFFAOYSA-N 361.470 4.848 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1cc(Br)ccc1O 84733267 GBNHGWFAGDFPOA-UHFFFAOYSA-N 372.671 4.604 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897445 IPMUIEOKKFRJCK-FGZHOGPDSA-N 370.487 4.907 0 1 FJAF CCCCNC(=O)c1ccc2c(c1)c1c(c(=O)n2CCCC)CCCCC1 169328887 LAABHMAFDZNRMP-UHFFFAOYSA-N 368.521 4.600 0 1 FJAF CC(C)(C)C1=NN(c2ccc(C(=O)O)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)C1 203669144 DVFYDKZICAOYRF-KRWDZBQOSA-N 367.405 4.647 0 1 FJAF CN(C)c1ccc(NC(=O)c2csc(-c3c[nH]c4ccccc34)n2)cc1 473249745 YPAYXJUKQCZONY-UHFFFAOYSA-N 362.458 4.610 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cccc(C(=O)O)c4[nH]3)c2)cc1 586881694 ZAXGCTSLDFMVTM-UHFFFAOYSA-N 356.381 4.798 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc(O)cc3F)nc3ccc(O)c1c23 586988611 OHGXYRDGFWKHLO-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF CCCn1cnc2cc(-c3nc4cccc(F)c4[nH]3)cc(Br)c21 587003913 NXKHFWBBOJJTKL-UHFFFAOYSA-N 373.229 4.891 0 1 FJAF Clc1c(-c2nc3ccc4ncccc4c3[nH]2)ccnc1Br 587006549 GDGQJOIDNKZKIA-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF C[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(F)cc(C(=O)O)c2[nH]1 587114566 UJIIMIMKQUFPQZ-VIFPVBQESA-N 366.314 4.765 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2ccc3nc(C)ccc3c2[nH]1 587229244 SQDYRMBOIMPPKD-UHFFFAOYSA-N 360.461 4.781 0 1 FJAF COC(=O)C[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587363717 SWTWNDVFBFNYTE-CQSZACIVSA-N 373.408 4.859 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)cc3F)o1)O2 587386701 WKHRGURJBGSOHP-IBGZPJMESA-N 355.340 4.822 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(-c3cccc(N)c3)c1)O2 587391465 UEDRFBHIENWFMA-QHCPKHFHSA-N 358.441 4.707 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Oc3cccnc3)c(C)c1)O2 587394156 CXDKRBNUMRROHT-NRFANRHFSA-N 360.413 4.779 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(CC(F)(F)F)s1)CC2=O 587461330 MEYXDQLTYNVQRM-ZDUSSCGKSA-N 371.380 4.613 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCC3)c(F)c1)CC2=O 587465648 GOWQHBOLSKTOGQ-OAQYLSRUSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(F)ccc31)CC2=O 587472883 WJYAIERXYSWXPU-NRFANRHFSA-N 356.393 4.517 0 1 FJAF O=C1C[C@@H](c2ccc3c(c2)OC(F)(F)O3)Oc2c1ccc1c2CCCC1 587501159 APGXSDRCWXODNA-KRWDZBQOSA-N 358.340 4.593 0 1 FJAF Cc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n(C2CCCC2)n1 587516450 SUYQOPSNUQYTPF-OAQYLSRUSA-N 350.462 4.892 0 1 FJAF Nc1ccc2c3c([nH]c2c1)[C@@]1(CCC3)CC(=O)c2ccc3c(c2O1)CCCC3 587524606 KVYBBEZTRCJLSQ-XMMPIXPASA-N 372.468 4.826 0 1 FJAF CSc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615934 YEBHZJMICVXKLD-APWZRJJASA-N 370.451 4.879 0 1 FJAF CCOC(=O)Cc1[nH]c2c(C)cc(Cl)cc2c1NC(=O)OC(C)(C)C 587624891 WFOAOAHDANGEDB-UHFFFAOYSA-N 366.845 4.582 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc(F)c(Cl)c1 587658928 VGDBFGTUQKSBPU-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(C(F)(F)F)c2[nH]1 587787284 MXFPHDWKROXWRO-UHFFFAOYSA-N 362.351 4.714 0 1 FJAF CCOc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587801104 IPIDUPAGLOKYSG-BBATYDOGSA-N 364.258 4.611 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCc1ccccn1 587865757 HYEKNAKDFIWEHD-UHFFFAOYSA-N 361.367 4.605 0 1 FJAF CS[C@@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961326040 QOQKNEVINANGDY-WBVHZDCISA-N 352.341 4.628 0 1 FJAF Cn1ccc2cc([C@@H]3c4cccc(F)c4CCN3[C@@H]3CCSC3)ccc21 962718972 RMHNWFOOMDGMSF-VGOFRKELSA-N 366.505 4.770 0 1 FJAF O=c1c2ccccc2oc2c(Cc3ccc(O)cc3)[nH]c(-c3nccs3)c12 1772642333 JYXBVOYUHLCRCC-UHFFFAOYSA-N 374.421 4.694 0 1 FJAF O=c1oc2ccccc2cc1[C@H](c1ccccc1)n1cnc2ccccc21 1911572073 KNYLVFGKKWNGPB-QFIPXVFZSA-N 352.393 4.780 0 1 FJAF COc1ccc(-c2csc([C@@](O)(c3ccccc3)C(F)(F)F)n2)cc1 61930783 MSHLXGNYMMOLLS-KRWDZBQOSA-N 365.376 4.617 0 3 FJAF Nc1nc(NCc2ccc(Cl)cc2)ccc1NC(=O)Oc1ccccc1 26819476 HTNIOCYDSCMHAC-UHFFFAOYSA-N 368.824 4.540 0 1 FJAF CC(C)(C)Cc1c[nH]c(C[C@](C)(O)c2ccc(-c3ccc(F)cn3)cc2)n1 66074747 SQDJZWNPXIGNRP-QFIPXVFZSA-N 367.468 4.650 0 1 FJAF CCS(=O)(=O)c1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 71329777 PKHSMOXXPBIKNI-UHFFFAOYSA-N 363.438 4.955 0 1 FJAF CCn1cc([C@H]2CCN(C(=O)c3ccc(OC)cc3C)C2)c2ccccc21 84687274 ZCUUJRXBURNUGR-KRWDZBQOSA-N 362.473 4.608 0 1 FJAF CCn1ccc2c3c(Cn4cncn4)cc(-c4ccccc4)nc3ccc21 96285997 CFSABHQRTGUEMV-UHFFFAOYSA-N 353.429 4.516 0 1 FJAF CCC(=O)[C@@H]1[C@@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@@H]2CC[C@@H]1N2C 100882985 AEOXYMZMDLKZPQ-IYZVWZADSA-N 365.517 4.956 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)(C)C)[C@H](C(C)C)/C1=C(\O)OC(C)(C)C 104677475 NMIUCCTYTQZYFO-DHSYKJLNSA-N 351.487 4.934 0 1 FJAF CCOc1cccc2ccc(Cc3cncc4cc(OC)c(OC)cc34)nc12 145154317 AHLQWOMXHMHRBF-UHFFFAOYSA-N 374.440 4.790 0 1 FJAF NC1=N[C@@H](CCc2ccc(Nc3cccc4cccc(Cl)c34)cc2)CO1 169701151 OXVOSYJVSIZTIC-KRWDZBQOSA-N 365.864 4.883 0 1 FJAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(-c2ccccc2)n1 204748898 PXBRMSLPAQOCCZ-SUMWQHHRSA-N 350.397 4.779 0 1 FJAF CCC(=O)O[C@@H]1CCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21 205710935 UCODYVFDWIAUDQ-MRXNPFEDSA-N 353.315 4.847 0 1 FJAF O=C1Nc2cc(Cl)ccc2S[C@H]1Cc1nc2ccc(Cl)cc2[nH]1 587041813 FUQPWDSKFRPCOO-AWEZNQCLSA-N 364.257 4.525 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3cc(Br)ccc3[nH]2)n1 587078817 BQLNWRGZRGWDRS-QMMMGPOBSA-N 353.651 4.813 0 1 FJAF Fc1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081708 ZAEKPUCVPOPJEI-GFCCVEGCSA-N 367.605 4.794 0 1 FJAF Cc1ccc2c3c(cc(-c4cccc(C(=O)O)n4)nc13)-c1ccccc1C2=O 587098332 SYWLOFWQPVFSMS-UHFFFAOYSA-N 366.376 4.515 0 1 FJAF C[C@@H](c1nc2cccc(O)c2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129853 MEICHBIKVOEAFY-YFKPBYRVSA-N 362.714 4.603 0 1 FJAF Cc1cc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2cc1F 587192247 SOISTEZKTGKZOF-SFHVURJKSA-N 369.440 4.967 0 1 FJAF CC1(C)[C@@H]2C[C@H]1c1c(nc3cccc4c3c1-c1ccccc1C4=O)[C@@]2(C)O 587207262 PIOXWPPZHFIXKY-IIOOSLMMSA-N 355.437 4.797 0 1 FJAF Cc1cc2nc([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)[nH]c2cc1C 587258765 SFDTUNWKXUGCFH-IBGZPJMESA-N 372.472 4.752 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc3cc(C)c(C)cc3[nH]1)CC2=O 587486690 SQXURHWMMBLYCN-LJQANCHMSA-N 350.418 4.544 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Cc2[nH]cc(C)c21 587486873 UJQVJUPAWKNDPT-QFIPXVFZSA-N 353.462 4.814 0 1 FJAF C[C@H]1CCC[C@H](N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 587513705 LBRUTVFRSIFQBL-HKUYNNGSSA-N 367.533 4.944 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602653 JIBDHFWYTUQCMX-NFBKMPQASA-N 358.393 4.504 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3cn2)N1 587776820 DVCBPBKKUQSBOJ-NSPYISDASA-N 371.253 4.760 0 1 FJAF COC1([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCCC1 587814008 XLOSFVCSMLVOBD-ZBEGNZNMSA-N 356.279 4.513 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cscc2Cl)N1 587852437 GQSDYWVXDBAUMK-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1cccnc1Cl 587861107 NOQBHTQDOLPQOK-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)C1 587970146 ZRXQSEINKSTAFQ-HUUCEWRRSA-N 365.481 4.552 0 1 FJAF CO[C@@H](CO)Cc1csc(Nc2ccc(C)c(-c3ccccc3C)c2)n1 653887833 PNRHXKOGGWGIRB-GOSISDBHSA-N 368.502 4.720 0 1 FJAF C[C@@]1(c2ccc3nc(O)oc3c2)NCCc2cccc(-c3ccccc3)c21 962669078 RQMAHQQLDMHMRD-QHCPKHFHSA-N 356.425 4.610 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(O)cc(Br)c2)N1 962939596 BOZUXBIPAUVKQS-ACJLOTCBSA-N 371.278 4.650 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(C)cc(C(F)(F)F)c1 963258605 PGEXWWHTJWKEIQ-QGZVFWFLSA-N 355.787 4.911 0 1 FJAF Oc1cccc(Cn2cncc2-c2cc3cc(Br)ccc3[nH]2)c1 1857633089 FPUYNFZIGIXUCA-UHFFFAOYSA-N 368.234 4.548 0 1 FJAF C=CC(C)=CC[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@@]12C 2356642302 CDYBXHABQVLJHE-MOXWOTFGSA-N 360.494 4.914 0 1 FJAF O=C(O)Cc1ccc(Oc2nc3ccccc3nc2-c2cccs2)cc1 1659564 XASQJAGGYCISIA-UHFFFAOYSA-N 362.410 4.778 0 1 FJAF O=c1cc(Cc2c(Cl)cccc2Cl)nc(SC2CCCC2)[nH]1 13556503 PTYWSTOKSFPGQB-UHFFFAOYSA-N 355.290 4.702 0 1 FJAF COc1ccc(-c2ccc(-c3cc(OC)c(OC)c(OC)c3)cc2)cc1O 13608711 NLMSEJAFRUNYFV-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF Clc1ccc2c(c1)Oc1ccccc1[C@@H]2SCCN1CCOCC1 25969930 FHQPVAVWEOPNPI-IBGZPJMESA-N 361.894 4.601 0 1 FJAF CN(C)[C@@H]1CCC[C@@H]1N(C(=O)C1CCC1)c1ccc(Cl)c(Cl)c1 28238184 IENHEXFICZMHDO-SJORKVTESA-N 355.309 4.609 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@@H]4N(C)CCC[C@@]4(C)[C@@H]3CC[C@]12C 29409858 QHNHXSFBBNVOAL-XDCCHMJQSA-N 374.613 4.808 0 1 FJAF COc1cccc(CN2c3ccc(OC(C)=O)cc3C(C)=CC2(C)C)c1 45259754 YTJOLVKIQZHYFR-UHFFFAOYSA-N 351.446 4.823 0 1 FJAF O=C(N[C@H](CCN1CCCCC1)c1ccc(Cl)cc1)c1ccccc1 45300369 LVFGABPIBKLJIV-HXUWFJFHSA-N 356.897 4.687 0 1 FJAF COc1cc(-c2cc(=O)c3cc(C(C)C)ccc3o2)cc(OC)c1OC 58592773 SSBHOAUWFKKMHB-UHFFFAOYSA-N 354.402 4.609 0 1 FJAF Cc1cccc(-c2csc(N3CCC[C@H]3C(=O)NC3CCCCC3)n2)c1 82192003 WGJNUFBJCVJHNK-IBGZPJMESA-N 369.534 4.536 0 1 FJAF COc1cc(NC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C(F)(F)F)c1 84651857 FSOUUWNBLSFOKY-UHFFFAOYSA-N 368.399 4.804 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169369973 QOBHVCSONWIIQM-OVHGPYEESA-N 371.565 4.857 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2cc(F)c(F)c(F)c2[nH]1 586981213 MHUCHTFSUKJYDP-UHFFFAOYSA-N 371.156 4.630 0 1 FJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@H]21 587027208 QNXMCNJKQGKYJF-LZQZEXGQSA-N 365.502 4.699 0 1 FJAF CCCCOC(=O)Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096976 MXLLKBZMKNEWAS-UHFFFAOYSA-N 359.425 4.640 0 1 FJAF CSc1ccc2[nH]c(-c3cc(-c4ccc(F)c(F)c4)nn3C)nc2c1 587148686 KBDFEFCIZOFKGT-UHFFFAOYSA-N 356.401 4.631 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587171107 YRESAILBSZXBMV-VIFPVBQESA-N 366.259 4.755 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]([C@H]1CCOC1)CCC3 587209124 JYEOAYDMTZOSTN-LSDHHAIUSA-N 355.437 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3cccc(F)c3)n1)O2 587384401 LLGRULLHORNRQA-QGZVFWFLSA-N 354.406 4.546 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H]([C@@H](c1ccccc1)c1ccc(F)cc1)O2 587386265 XENJQDCCDHLDSU-VXKWHMMOSA-N 361.416 4.882 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnn(-c3ccc4ccccc4c3)c1)O2 587393149 ZAWYHTGHHSVTHC-JOCHJYFZSA-N 369.424 4.623 0 1 FJAF CC(C)c1ccc2c(c1)[C@@]1(CC(=O)c3ccc4c(c3O1)CCCC4)C(=O)N2 587521533 CHOIFWGZAVEITC-QHCPKHFHSA-N 361.441 4.502 0 1 FJAF C[C@]1([C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600305 ALMVQCIJOIZAQT-XPOAJRFMSA-N 350.414 4.549 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@@H]1c1ccccc1 587602834 LJRJJXDXGJCKCF-TVLQYADYSA-N 358.393 4.526 0 1 FJAF CC1(C)[C@@H]2C[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604239 RROAJGKSXODTCD-LTCHKBIJSA-N 350.414 4.549 0 1 FJAF C=C(c1ccccn1)n1nc(-c2ccc(C(F)(F)F)cc2)cc1OCC 587864595 MQLXOKSZIPNPPD-UHFFFAOYSA-N 359.351 4.882 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](c2nc3ccccc3n2C)(C2CC2)N1 962944274 HLXICBCKOYQHNJ-VOIUYBSRSA-N 370.500 4.633 0 1 FJAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963108818 YRYQXKWFDFABCQ-FDDCHVKYSA-N 361.464 4.808 0 1 FJAF CO[C@H](c1nc(SC(C)C)nc(O)c1C)c1c(F)cccc1Cl 1857556438 WGNZFFSMUHYABE-AWEZNQCLSA-N 356.850 4.519 0 1 FJAF Cc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12 3896482 PPKQDLAVEPPRPV-UHFFFAOYSA-N 357.461 4.823 0 1 FJAF Cc1ccc([C@H]2NC(=N)NC3=C2CCOc2c3ccc3ccccc23)cc1 6522700 UCXARMUKMKBNJB-HXUWFJFHSA-N 355.441 4.511 0 1 FJAF COCCCNC(=O)c1ccccc1Nc1c(Cl)ccc(C)c1Cl 13438021 ZMMGBIJMLCNSOV-UHFFFAOYSA-N 367.276 4.812 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26396036 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362.520 4.983 0 1 FJAF C[C@H]1C[C@H](C)CN(c2nc(NCc3ccc(F)cc3)c3ccccc3n2)C1 299831246 JADDVLOFVZYCHV-HOTGVXAUSA-N 364.468 4.863 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586898400 KHNKVMREHAVKMX-UHFFFAOYSA-N 372.424 4.708 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 586918096 WINSSBCSPGSUAM-JLTOFOAXSA-N 354.837 4.741 0 1 FJAF Clc1ccc(CC2(c3nc4cc(Br)ncc4[nH]3)CC2)cc1 587073185 GDZADCOEADPZBG-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF C[C@]1(C2CCSCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375085 QOMPKEMWDOVBJT-PZJWPPBQSA-N 372.461 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCC[C@]1(C)CCC(=O)OC)CC2=O 587481000 QKNLOTJTTWZAHH-FGZHOGPDSA-N 374.477 4.582 0 1 FJAF C[C@]1(c2occc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587494899 AYEQGEIVDWAZNI-GOSISDBHSA-N 361.235 4.802 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Cl)N1 587699599 STIIDJMALMNYTD-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C(C)(C)C)(C(F)(F)F)N1 587706466 QDQWTBXTLLBARM-CLAHSXSESA-N 368.212 4.926 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccn(C)c3c2)N1 587758524 QKOQDTMBIJTADQ-NSPYISDASA-N 373.269 4.704 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3ccc(C)cc3)nc2C)N1 962946330 LLBTZUOAGZVOAK-XDHUDOTRSA-N 370.500 4.984 0 1 FJAF COc1ccc(-n2c(-c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1 1772603871 ZCKSFFYUHBDPPU-UHFFFAOYSA-N 362.816 4.715 0 1 FJAF CN(C)Cc1ccc(Nc2nnc(-c3cccc(-c4cccnc4)c3)o2)cc1 1772616620 BXWHNRUQZMUNQF-UHFFFAOYSA-N 371.444 4.604 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](c1ccc(Cl)cc1)C(=O)N2 1857758681 IRXIYGUMMDMEFH-SFHVURJKSA-N 354.793 4.684 0 1 FJAF CCC[C@@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccc(F)c1 3960743 LSSSSHDKQAFNQI-QGZVFWFLSA-N 367.424 4.950 0 1 FJAF Cc1c(F)c(Oc2cccc(F)c2)nc(Oc2cccc(C(=N)N)c2)c1F 13474025 WCTBUHGDESSWES-UHFFFAOYSA-N 373.334 4.676 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]2OC 14774451 VZMATVDJEYJHLC-PONJGIIJSA-N 360.494 4.878 0 1 FJAF biogenic Cc1[nH]c(Br)c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1 14945958 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CCCN(CCC)c1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587430265 SVJIRFCLWKHZTH-AUSIDOKSSA-N 365.473 4.810 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(F)c2CC[C@@H]1C 587471980 NTSZIDRIBNMTFV-XMHCIUCPSA-N 354.421 4.927 0 1 FJAF Cc1c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2ccccn2c1C=O 587519342 ZRPXQHAHVBBVAX-OAQYLSRUSA-N 359.425 4.646 0 1 FJAF CCOC(=O)[C@H](CC)[C@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521447 CWTVEJYAYVZNFA-PGRDOPGGSA-N 358.478 4.515 0 1 FJAF CC(C)c1ncc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587610767 HCTBNLHWRDWQAE-QFBILLFUSA-N 367.426 4.675 0 1 FJAF Cc1[nH]c2ccc(S(C)(=O)=O)cc2c1Cc1ccc(Cl)c(Cl)c1 587649595 QNJIYQZTLHVIED-UHFFFAOYSA-N 368.285 4.777 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587717959 LXHIDBZKOJYBIG-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cc[nH]c3c2)N1 587804718 SAMGXVZBSRZVJN-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]3C=C[C@H]2CC3)N1 587817485 CMEXDSMQFFKQOZ-MPLJDPDJSA-N 364.302 4.940 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccccc1OC(F)(F)F 587871243 REZIPRSBNBVGCU-UHFFFAOYSA-N 366.314 4.976 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cccc(Br)c2[nH]1 587935996 YJTRCFSHIXAGJG-UHFFFAOYSA-N 369.262 4.906 0 1 FJAF Oc1ccnc(-c2cccc([C@@H]3NCCc4c(Cl)cc(Cl)cc43)c2)c1 963114906 YANAVYPZEMAWQS-FQEVSTJZSA-N 371.267 4.996 0 1 FJAF Cc1cc2c(cc1O)[C@H]([C@@H](C)CC[C@@H](C)CC(C)(C)C)N[C@H](C(=O)O)C2 963547261 AWHXQOFWXQZECW-IUHVXIRESA-N 361.526 4.829 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@]3(C)c4[nH]c5ccccc5c4C[C@H]3CC[C@]12O 2356417713 JQTRPSHLFTZYHC-NCEZUQNJSA-N 351.490 4.518 0 1 FJAF CN(C)c1ncc(-c2c[nH]c3ccccc23)nc1-c1c[nH]c2ccccc12 1864757 QUPTWIXAJUJZHE-UHFFFAOYSA-N 353.429 4.839 0 1 FJAF CCCCNC(=O)[C@H]1C(c2ccccc2)=NO[C@@H]1c1cccc2ccccc12 4049863 GMBSMVWRQRTHDK-JTHBVZDNSA-N 372.468 4.848 0 1 FJAF CCCCc1cc(CC)c(OCCCCCC(C)(C)c2nnn[nH]2)cc1O 26157034 ZAEWKCQVCWBHIF-UHFFFAOYSA-N 374.529 4.727 0 1 FJAF O=C(O)c1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccccc3)n2)cc1 29042673 FBCBXRZGCIFZMS-UHFFFAOYSA-N 374.322 4.681 0 1 FJAF CC[C@@H]1Cn2c(cc3cc(OC(C)=O)ccc32)-c2ccc(OC(C)=O)cc21 29328108 MSCYKGSOXJKYII-OAHLLOKOSA-N 363.413 4.666 0 1 FJAF CC1(C)Oc2cccc(OCCNCc3cccc(C4=CCCC4)c3)c2O1 35259215 AYCDTYHHWKFGCP-UHFFFAOYSA-N 365.473 4.930 0 1 FJAF Cc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 36382597 QKCAXXVNZDAJAD-UHFFFAOYSA-N 359.385 4.539 0 1 FJAF CCOC(=O)c1cc(-c2cccc(OCc3ccccc3Cl)c2)on1 45258912 IOELKXPPSKTGSX-UHFFFAOYSA-N 357.793 4.751 0 1 FJAF CC1(C)C(C(=O)c2cn(CCC3CCNCC3)c3ccccc23)C1(C)C 45287243 NZGINBKPMKVRHZ-UHFFFAOYSA-N 352.522 4.896 0 1 FJAF c1ccc(CSc2nnc(-c3ccccn3)n2Cc2cccs2)cc1 66148179 YTDFSDPAYZLWFT-UHFFFAOYSA-N 364.499 4.742 0 1 FJAF COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCF 84672196 MJFORRPKBGTMPS-UHFFFAOYSA-N 365.767 4.523 0 1 FJAF CN(C)c1ccc(-c2cc3ccc(I)cc3o2)cc1 95565755 QMUCQVWPSHXVLW-UHFFFAOYSA-N 363.198 4.770 0 1 FJAF Cc1ccccc1CNc1nc(-c2ccccn2)nnc1-c1ccccc1 95570338 IQPNHTBTBKIPFH-UHFFFAOYSA-N 353.429 4.521 0 1 FJAF Cc1ccc(-c2ccc([C@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)cc1 100086919 QWUBEQDQRFZKGQ-LNWKWYTESA-N 354.497 4.602 0 1 FJAF O[C@]1(C(F)(F)F)c2ccccc2-c2c(Br)cc(Cl)cc21 144779519 XZVACZCRLQDXPC-CYBMUJFWSA-N 363.560 4.881 0 1 FJAF Cc1cccc2c([C@H](O)C[C@@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 169333449 ICRCFOVMEGQGOD-PGRDOPGGSA-N 364.464 4.915 0 1 FJAF O=C1CSC(N2N=C(c3ccccc3)C[C@H]2c2ccc3ccccc3c2)=N1 169336301 BVQPQYATPTWBFE-FQEVSTJZSA-N 371.465 4.620 0 1 FJAF CSc1cccc(N[C@H]2N=C3C=CC(Br)=C[C@@H]3S2)c1 473083576 BYMFATCWKOKSAI-KBPBESRZSA-N 353.310 4.509 0 1 FJAF CC[C@]1(C)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 586887652 GWXFCBBVNYFEEP-WPPNPWJKSA-N 358.077 4.992 0 1 FJAF COc1cc2nc(COc3ccc(Br)cc3C)[nH]c2cc1C 586981833 UTWLZGOHVJHDFO-UHFFFAOYSA-N 361.239 4.530 0 1 FJAF COc1nccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc12 587031369 RBGXZZQJCGFZFI-GFCCVEGCSA-N 364.474 4.926 0 1 FJAF Fc1c(F)c(F)c(/C=C\c2nc3ccc4ncccc4c3[nH]2)c(F)c1F 587135386 YUAXMYXAAMMESE-UTCJRWHESA-N 361.273 4.977 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(Cl)cnc2[nH]1 587191859 OGLIYUIUPARJPZ-HNNXBMFYSA-N 372.856 4.568 0 1 FJAF O=C1c2ccc(O)cc2O[C@@](CF)(c2ccccc2)[C@@H]1c1ccc(F)cc1 587334163 XOMBFXQYQUPSHT-IRLDBZIGSA-N 366.363 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(-c3ccc(Cl)cc3)noc1C)O2 587380869 XNTGXDAJMYVAJW-QGZVFWFLSA-N 368.820 4.901 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(OC(F)F)cc1)O2 587381906 IPTWKBKSUIRDPY-HXUWFJFHSA-N 361.388 4.535 0 1 FJAF CCCCOc1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587402606 ZTRMWVUYMMCEQG-JOCHJYFZSA-N 369.461 4.645 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1c(F)cccc1F)CC2=O 587465659 JIOJXEXTCGBKGL-NRFANRHFSA-N 360.400 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](/C(=C\N(C)C)c1ccc(C)cc1)CC2=O 587469310 NCISTYHQTSSTPH-PZNLSKEWSA-N 365.473 4.590 0 1 FJAF COc1cc(Cl)cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC 587497456 AWNBSIIBLBCDOB-SFHVURJKSA-N 372.848 4.943 0 1 FJAF O=C1C[C@@]2(CCCc3ncc(Cl)cc32)Oc2c1ccc1c2CCCC1 587498622 JKPZWIZTGHTWOR-OAQYLSRUSA-N 353.849 4.811 0 1 FJAF O=C1C[C@@H](c2cnc3ccc(Cl)cn23)Oc2c1ccc1c2CCCC1 587503845 ZPDRTKDCYRMRDH-SFHVURJKSA-N 352.821 4.573 0 1 FJAF CC(C)COc1cccc(OCc2nc3cc(Cl)c(Cl)nc3[nH]2)c1 587565492 BZXWPHMWZAGMGA-UHFFFAOYSA-N 366.248 4.879 0 1 FJAF Cc1cccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587725584 FDXYSZDQRVULGE-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF CCN(CC)CC(C)(C)[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587743996 YLVYNMJNRQKHLB-SJCJKPOMSA-N 371.338 4.532 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@@]12O 2356321351 INZKXQVWURMZIT-CZAWHOBRSA-N 372.549 4.508 0 1 FJAF COC(=O)C(=CCC[C@H](CCCc1ccoc1)C(=O)O)CCC=C(C)C 2356503439 HXALOZYLMZYNEY-SFHVURJKSA-N 362.466 4.929 0 1 FJAF CC(=O)O[C@@H]1CC(C)=CCCC(C)=CCCC2=C[C@@H](OC2=O)[C@H]1C(C)C 2356609646 IMDXZXMRERRXIF-NJYVYQBISA-N 360.494 4.899 0 1 FJAF CCCCC(=O)N(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(C)C 2382216113 IVWWCUUDABZYOO-UHFFFAOYSA-N 353.462 4.979 0 1 FJAF CCCCOn1cc(CC(=O)Nc2ccccc2Cl)c2ccccc21 2382217785 JXKXRXMSXRJEFS-UHFFFAOYSA-N 356.853 4.705 0 1 FJAF CC(C)NC(=N)c1cccc(-c2cc3cc(C(=N)NC(C)C)ccc3o2)c1 34435071 SLFMUPLMBSOCTH-UHFFFAOYSA-N 362.477 4.747 0 1 FJAF O=C(O)c1c(O)c(Cc2ccccc2Cl)nc2c3c(ccc12)CCCC3 35087208 LDASVCIUTPTLAT-UHFFFAOYSA-N 367.832 4.762 0 1 FJAF Cc1ccc2c(c1)[C@H](N1CCN(C)C(C)(C)C1)C[C@@H]2c1ccc(F)cc1 36238037 QMRDYJDBHVLYNI-IFMALSPDSA-N 352.497 4.737 0 1 FJAF CN(C)CCNCc1ccc(-c2cccc(-c3nc4ccccc4[nH]3)c2)cc1 45303153 GDJKGULRAFDKLI-UHFFFAOYSA-N 370.500 4.548 0 1 FJAF Cc1cc(C)cc(-c2cc3cc(C(C)(C)CO)ccc3n2C[C@H](C)O)c1 66251755 SENSSHKTWUNSLH-KRWDZBQOSA-N 351.490 4.576 0 1 FJAF Fc1cc(F)cc(CNc2cc(Oc3cccc4cccnc34)ncn2)c1 82068307 JSSJITJFENKIRD-UHFFFAOYSA-N 364.355 4.707 0 1 FJAF CCCCCCOc1ccc(-c2nc(C(=O)N3CCCCC3)co2)cc1 82088131 ICBDNVKKGGVFQA-UHFFFAOYSA-N 356.466 4.927 0 1 FJAF Cn1c(C23CC4CC(CC(C4)C2)C3)nn(CNc2ccc(F)cc2)c1=S 96937743 OGKZPSDFKUEDTI-UHFFFAOYSA-N 372.513 4.628 0 1 FJAF O[C@H]1C[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc21 586901899 JANDLCZPZCYYIV-FZMZJTMJSA-N 363.642 4.548 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C(=O)C(F)F)CC4)-c1ccccc1C2=O 586996910 VNFHWTVALQAINR-OAHLLOKOSA-N 363.363 4.619 0 1 FJAF Cc1cc(C)c2[nH]c(CCn3ncc4cc(Br)ccc43)nc2c1 587002907 PXWTXSBIEJBKQZ-UHFFFAOYSA-N 369.266 4.535 0 1 FJAF Clc1c(-c2nc3cnc4ccccc4c3[nH]2)ccnc1Br 587006276 CJXRUZUZUFXHFI-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF COc1cc(OC)c2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2c1 587084279 WPFDKWFMNALVJT-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF COC(=O)C1(c2nc3c(C)ccc4c3c(c2C)-c2ccccc2C4=O)CCC1 587099331 ZPTTWYCEZNIUJY-UHFFFAOYSA-N 371.436 4.658 0 1 FJAF CCc1c([C@@H](CC)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587106691 NEEUEFXBABAYIF-CQSZACIVSA-N 359.425 4.675 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3cnc(C(F)(F)F)cc3[nH]2)cc1 587251148 ZPMZJBTZDZRJQO-UHFFFAOYSA-N 354.335 4.893 0 1 FJAF Cc1cnc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587504370 RSEWHPJXKRLGKO-SFHVURJKSA-N 372.262 4.738 0 1 FJAF O=C1C[C@H](c2ccc(OC(F)F)c(O)c2)Oc2c1ccc1c2CCCC1 587505427 KUTAFVXXJJSBHY-GOSISDBHSA-N 360.356 4.579 0 1 FJAF CCC1(CC)[C@H](OC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807545 DNXPUHHXOLWWRJ-XNAIMREJSA-N 370.306 4.543 0 1 FJAF COc1cccc(C2(c3nc4cncc(Br)c4[nH]3)CCCC2)c1 587931820 PTASIADWPAVPDV-UHFFFAOYSA-N 372.266 4.589 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2c(Br)ccnc2[nH]1 587949835 DCSVVIGMNLTDEN-WZRBSPASSA-N 352.276 4.767 0 1 FJAF COc1ccc2c(c1OC)[C@](C)(CSc1ccccc1)N(C)[C@H](C)C2 962632090 OOGKPFHEOHXFNM-VFNWGFHPSA-N 357.519 4.588 0 1 FJAF CCCOc1c(OCC)cccc1[C@@H]1N[C@@H]2CC[C@H]2c2ccc(OC)cc21 962996995 PVACZFXESXNNIT-WEYGHZABSA-N 367.489 4.821 0 1 FJAF CSCc1ccc([C@@H]2c3ccsc3CCN2Cc2cccnc2)o1 962998816 WIKYKQZMDIYTGQ-IBGZPJMESA-N 356.516 4.747 0 1 FJAF Nc1sccc1[C@@]1(c2ccccc2)c2c(F)cccc2C[C@@H]2CCCN21 963116287 WJYZUQNQSMFNOG-JTSKRJEESA-N 364.489 4.782 0 1 FJAF Clc1ccccc1/C=C1\C=C(CCN2CCOCC2)c2ccccc21 1857585779 QBWVLQZGKDMJNA-KNTRCKAVSA-N 351.877 5.000 0 1 FJAF Oc1ccccc1-c1cncn1Cc1cc2cc(Br)ccc2[nH]1 1857748316 PIPVVXXXDHECFG-UHFFFAOYSA-N 368.234 4.548 0 1 FJAF CC(C)=CCN1Cc2cc(Cl)c(Cl)c3nc(S)n(c23)C[C@@H]1C 13474551 ROQNJTBXZCAOED-JTQLQIEISA-N 356.322 4.802 0 1 FJAF Fc1ccc([C@H](Oc2ccc(C(F)(F)F)cc2)[C@H]2CCCNC2)cc1 13530727 GGOSQACPTXPREV-KSSFIOAISA-N 353.359 4.964 0 1 FJAF CCN1CCc2c(Br)ccc3c2[C@H]1Cc1cc(OC)ccc1O3 13805128 VNJVDPRFGIWXFI-MRXNPFEDSA-N 374.278 4.725 0 1 FJAF CC(C)=Cc1cc2c(cc1N)N[C@@H](CC(C)C)C(=O)N(CCC(C)C)C2 49050759 VELGTNXAZBFHRD-NRFANRHFSA-N 357.542 4.907 0 1 FJAF CCn1cnc2c1C(=O)N(c1ccccc1)c1cc(Cl)ccc1N2C 66258506 CSMHCUAOTUPQBZ-UHFFFAOYSA-N 352.825 4.616 0 1 FJAF O[C@](c1ccc(Cl)cc1)(c1cccnc1)c1ccccc1Br 72101334 GUCUVVUQLSZNSI-GOSISDBHSA-N 374.665 4.782 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(Cl)cc2Cl)[C@@H](C)C1(Cl)Cl 103272525 MWDQYFKQDWNBMC-OTYXRUKQSA-N 369.119 4.872 0 1 FJAF Cc1nnc(Nc2ccc3c(c2)ncn3-c2ccccc2O)c2ccccc12 143475614 LOLUBIIDCPCNIG-UHFFFAOYSA-N 367.412 4.726 0 1 FJAF COc1ccnc(N[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218305923 GTGXIGFTFFYIGA-OAQYLSRUSA-N 357.413 4.608 0 1 FJAF COc1cncc(N[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 218306091 FHGKXWSNTAZCCJ-NRFANRHFSA-N 357.413 4.608 0 1 FJAF COCCc1nc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2o1 474607748 JXXRAIHCVBYJKZ-UHFFFAOYSA-N 353.809 4.962 0 1 FJAF Cc1c(Br)cnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c12 587024140 WOMZXYHQXPMZOO-UHFFFAOYSA-N 371.263 4.819 0 1 FJAF COc1cnc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1Cl 587064195 DPOFVSIDDCXISZ-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF Fc1c(F)c(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(F)c(F)c1S 587135157 UNKFANPTFOBFQQ-UHFFFAOYSA-N 368.142 4.777 0 1 FJAF O=C(O)c1ccc(-c2cc(-c3nc4ccc(O)cc4[nH]3)ccc2F)cc1F 587138525 LYZRGPLIZKKKAI-UHFFFAOYSA-N 366.323 4.579 0 1 FJAF Fc1cc(Br)cc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587161370 QOUACORXOLMQCM-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CC(C)[C@H](c1nc2cc(Cl)cc(F)c2[nH]1)N(C)C(=O)OC(C)(C)C 587197828 QAJRFSYBBPEHNY-CQSZACIVSA-N 355.841 4.919 0 1 FJAF CC[C@]1(c2cccnc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587336955 LFFTZRXAHLLRPT-IFMALSPDSA-N 363.388 4.591 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(C)cc(Br)cc1C)O2 587375974 GEZMYGVNIHVTFO-MRXNPFEDSA-N 360.251 4.663 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1Br)O2 587378241 SUZLHDLVVILCOB-CQSZACIVSA-N 366.642 4.700 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)cc4)o1)[C@@H](C2)C3=O 587426193 ADOSUMVUKYNLDA-BTYIYWSLSA-N 350.345 4.583 0 1 FJAF COc1cc2c3c(c1)O[C@H]([C@H](C)Cc1ccc(C(C)C)cc1)[C@@H](C2)C3=O 587446585 ZHZXJKKBSVZQNW-NTDBCUBYSA-N 350.458 4.813 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc3cnccc3c1)CC2=O 587491970 VJOYKBQWWXAXEY-GOSISDBHSA-N 361.441 4.860 0 1 FJAF COc1cc(-c2ccc[nH]2)[nH]c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527329 SXLAQDHIGPLJJP-FQEVSTJZSA-N 362.429 4.604 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C)[C@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602295 HPXPKXVQKBWMLZ-WHIJVDBASA-N 364.441 4.939 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)c1ccc(C)o1 587864234 HXCKPYGABUBJHF-UHFFFAOYSA-N 364.323 4.558 0 1 FJAF Fc1c(Cl)cc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1F 587949954 FORUJGHNIJLBPR-UHFFFAOYSA-N 352.812 4.980 0 1 FJAF c1ccc(CN2CCC3(CC2)NCCc2cc(-c4ccccc4)ccc23)cc1 962657373 BDGGWOQLNWWADZ-UHFFFAOYSA-N 368.524 4.991 0 1 FJAF Fc1ccc2c(c1)C[C@@H]1CCCN1[C@@H]2c1cc(OC(F)(F)F)ccc1F 963114688 WDYYWTRCQHQCPO-UGSOOPFHSA-N 369.333 4.973 0 1 FJAF FC1(F)CCN(Cc2ccc3n[nH]cc3c2)C[C@H]1CCc1ccccc1 1772610265 NLIFSQQWHYOITJ-LJQANCHMSA-N 355.432 4.653 0 1 FJAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@H](C)C[C@H]1C 2356480629 KMGDCJDRYJVZCA-CJVQWNQZSA-N 371.477 4.607 0 1 FJAF CCc1ccc(CCNC(=O)c2c(C(C)(C)C)noc2-c2ccoc2)cc1 776213 KAMQZMGPACENCU-UHFFFAOYSA-N 366.461 4.767 0 1 FJAF COc1cccc(C(=O)N[C@](C)(C(=O)c2cc(C)cc(C)c2)C(C)C)c1C 27548961 CJBYIIVEAXLTAD-QHCPKHFHSA-N 367.489 4.648 0 1 FJAF Cn1nccc1C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 36322778 VHPGMNFYRNXNDD-PSZCFUFSSA-N 352.522 4.737 0 1 FJAF O=c1cc(COc2ccc(Br)cc2)c2ccc(Cl)cc2[nH]1 45497232 UZQHBWJGQKQOQF-UHFFFAOYSA-N 364.626 4.523 0 1 FJAF Cc1cccc(-c2nc(CN3CCN(c4ccc(C)cc4C)CC3)co2)c1 72180905 AFVQNNDCRSNWEC-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF CCCCNC(=O)n1c2ccc(Cl)cc2c2ccc([C@H](C)C(=O)O)cc21 95553013 GZIZYOXOCOOJDZ-LBPRGKRZSA-N 372.852 4.994 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(C2(C(F)(F)F)CC2)cc1 96929171 XHQKHOLOSLGODV-UHFFFAOYSA-N 374.284 4.947 0 1 FJAF Cc1ccc(C(=CCCN2C[C@H]3[C@@H](C2)[C@@H]3C(=O)O)c2ccc(C)s2)s1 101640078 JMFXQGNCJBXLCG-MNZLEMJZSA-N 373.543 4.511 0 1 FJAF CSc1nc(O)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1cccs1 103948781 JXIYYRLLIDAIEM-ZDUSSCGKSA-N 373.503 4.816 0 1 FJAF C[C@@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1 199950275 OZLLUGNMXJLQIE-AWEZNQCLSA-N 371.352 4.687 0 1 FJAF COc1cc2oc(-c3cn4nc(SC)sc4n3)cc2cc1Cl 205914048 IAUVYRYLNYWPLJ-UHFFFAOYSA-N 351.840 4.588 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)C2 586885369 MIMPZCLKTCHKHI-BZSNNMDCSA-N 358.441 4.781 0 1 FJAF Fc1cc2[nH]c(-c3ccnc(Cl)c3Br)nc2cc1Cl 586979597 RDHYZMPDFUKPQG-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCc1cccnc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988826 XGUJKMVSWHMNNE-UHFFFAOYSA-N 352.393 4.776 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4cccnc34)nc3ccc(O)c1c23 586989663 OANFLKHAHZEDFA-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF Cc1c(Br)ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c12 587016021 DYGSIZUEEOMMEN-GFCCVEGCSA-N 364.268 4.609 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048299 GULARUVBDUBHER-IUCAKERBSA-N 365.191 4.978 0 1 FJAF Cc1cc(Br)c2[nH]c(CNc3ccccc3Cl)nc2c1 587060769 USCGVMUMEFPAHL-UHFFFAOYSA-N 350.647 4.899 0 1 FJAF FC(F)=C(C[C@H]1CCCN1)c1nc2cccc(OCc3ccccc3)c2[nH]1 587087972 HEHARXCYAYHZOY-OAHLLOKOSA-N 369.415 4.892 0 1 FJAF Fc1cc(Br)c2[nH]c(-c3cncc(C(F)(F)F)c3)nc2c1 587115718 YGCQKRIFWCZCIN-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF COc1ccc(Cc2nc3ccc(SC(F)(F)F)cc3[nH]2)c(F)c1 587148545 JXWCDLCXQDEUBZ-UHFFFAOYSA-N 356.344 4.913 0 1 FJAF O=C1c2ccccc2-c2cc([C@H]3COc4ccccc4O3)nc3cccc1c23 587209610 QSLLWKHNYVSKLG-JOCHJYFZSA-N 365.388 4.959 0 1 FJAF CN[C@@H](c1cccnc1)c1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1 587227199 WNEIPWXOSPBUON-IBGZPJMESA-N 371.469 4.543 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC1(CCN(c3ccc(C)c(Cl)c3)CC1)O2 587377226 VIMRTTJGTBUZNN-UHFFFAOYSA-N 370.880 4.543 0 1 FJAF COc1cc2c3c(c1)O[C@@H](CCc1ccc(C(C)(C)C)cc1)[C@@H](C2)C3=O 587445050 HJFLLZGADUMDNF-MOPGFXCFSA-N 350.458 4.742 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2cccc(F)c2CC[C@H]1C 587471977 NTSZIDRIBNMTFV-DMZKTXOQSA-N 354.421 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccc(F)cc3s1)CC2=O 587472481 RMBFLIJGCBUGCJ-INIZCTEOSA-N 357.406 4.800 0 1 FJAF Cc1[nH]c2c(c(Br)cc3n[nH]cc32)c1Cc1ccc(F)cc1 587622383 MFVRBIMRJPJEQC-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF Fc1ccc2c(CN3CCOCC3)c(-c3cc4ccccc4o3)[nH]c2c1 587636878 NFTIXMDTJICCQE-UHFFFAOYSA-N 350.393 4.552 0 1 FJAF Cc1cc(-n2ncc3ccc(Cl)cc3c2=O)c2ccc(Cl)cc2n1 587651821 PIQZWPFFURQLQB-UHFFFAOYSA-N 356.212 4.549 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827590 KZLKBRJMNULWKR-IGMLBDDESA-N 352.291 4.774 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587832186 ZHTBIOYKAHXILU-VVVCHXIZSA-N 352.247 4.596 0 1 FJAF CCc1ccc(C(=O)CCc2nc3cccc(OC(F)(F)F)c3[nH]2)cc1 587956107 UETZJHIGDRYXEL-UHFFFAOYSA-N 362.351 4.839 0 1 FJAF CN(C)CC[C@@]1(Cc2ccccc2)NCCc2cc(-c3ccccc3)ccc21 962660166 HIDSQGMZHMNGJI-SANMLTNESA-N 370.540 4.889 0 1 FJAF COc1cc(-c2nn(C)cc2-c2ccc(SC)cc2)cc(OC)c1OC 1857769871 LVRYOJHHLFDOFM-UHFFFAOYSA-N 370.474 4.502 0 1 FJAF CC(C)=CCCC(C)=CCC[C@@](C)(O)[C@@H]1Cc2cc(C(=O)O)ccc2O1 2356533429 FEWBLKHNHHTXBA-RBBKRZOGSA-N 358.478 4.912 0 1 FJAF O=C(Nc1nnc(-c2cccs2)o1)c1ccc(SC(F)(F)F)cc1 2382236633 BEKMYUSRGRTQHE-UHFFFAOYSA-N 371.365 4.662 0 1 FJAF Fc1cc(C[C@]2(Cc3ccncc3)c3ccccc3-c3ncccc32)ccn1 1484301 VUKVRXKAIKFRQR-XMMPIXPASA-N 367.427 4.763 0 1 FJAF Clc1cc(-n2ccnc2)nc(SCc2ccc3ccccc3c2)n1 5975034 WPYOMTZTCKXNGJ-UHFFFAOYSA-N 352.850 4.761 0 1 FJAF O=C1c2ccc(F)cc2CC[C@@H]1C1CCN(CCc2ccccc2)CC1 13734312 PFOHALKXQIXUFE-OAQYLSRUSA-N 351.465 4.526 0 1 FJAF O=C(Nc1ccc(C(=O)N2CCCc3ccccc32)cc1)c1ccsc1 13757934 IXWGXMVVDNFFOA-UHFFFAOYSA-N 362.454 4.593 0 1 FJAF CC(C)(C)[C@]1(O)CCN2C[C@@H](c3ccc(C(F)(F)F)cc3)CC[C@@H]2C1 29470469 LSKVBBDPSJKNDK-WDYCEAGBSA-N 355.444 4.824 0 1 FJAF C/C(C[C@@H]1CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O 39053248 FEMIUPGALVTKAK-YGZBIUCPSA-N 357.494 4.554 0 1 FJAF Cc1nc(CN[C@H]2CC[C@@H](F)C2)c(C(C)C)n1-c1cc(F)cc(F)c1 43060743 WXGFDISGDAGZCW-CJNGLKHVSA-N 351.416 4.563 0 1 FJAF Cc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 51076671 BQUHIEKANXEKGH-OAHLLOKOSA-N 359.395 4.880 0 1 FJAF biogenic O=C(Nc1ccccc1)c1nn(Cc2ccc(Cl)cc2)c2ccccc12 72175747 FXJOMRPVPHQPJC-UHFFFAOYSA-N 361.832 4.990 0 1 FJAF Cc1cc(C)c(CN2CCC(C(=O)NC3CCCCCC3)CC2)c(C)c1 82158053 LDDXCDYPGRCOLI-UHFFFAOYSA-N 356.554 4.663 0 1 FJAF COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Cc3n[nH]c(O)c32)cc1 103184171 RPKDFBKUMHXXST-QGZVFWFLSA-N 352.821 4.854 0 1 FJAF OCc1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 143484036 DWJYNKFLNFDLRY-HXUWFJFHSA-N 356.343 4.625 0 1 FJAF COc1cc2c(cc1O)[C@@H]1Cc3sc(CC(C)(C)C)cc3CN1CC2 299838255 UBEYCBQVUSZUDM-KRWDZBQOSA-N 357.519 4.706 0 1 FJAF Fc1ccc(Oc2ccc(-c3noc(-c4n[nH]cc4Cl)n3)cc2)cc1 299864819 MYRZKYMVKRPOFG-UHFFFAOYSA-N 356.744 4.712 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3cc(Br)cc(Cl)c3[nH]1)C2 586887541 UVSGYVVDJAPZDJ-GUBZILKMSA-N 365.658 4.618 0 1 FJAF Cc1cc2nc([C@@H](N)Cc3ccccc3Cl)[nH]c2cc1Br 587058878 KFTGDKZTVBKDAT-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF COc1ccc(Cl)c(-c2ccc(-c3nc4ccnc(O)c4[nH]3)cc2F)c1 587143748 YOKZBVJMVAIHOR-UHFFFAOYSA-N 369.783 4.799 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)O2 587408247 OJYAKIHXALEPFJ-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OC(C)C)[C@@H](C2)C3=O 587417666 DWCVBWGLWKTWNH-MGPUTAFESA-N 358.821 4.625 0 1 FJAF COc1ccc(C[C@H](C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527216 VSXGFQSDGQBBTH-NYHFZMIOSA-N 350.458 4.787 0 1 FJAF C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530480 CIGPYQTYESQCIS-SPLOXXLWSA-N 364.441 4.507 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccccc2F)N1 587725413 DGMQICOHQKUHJC-ZMZPIMSZSA-N 366.249 4.719 0 1 FJAF CCc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587814292 GSXBAJQWOOAABC-CWTRNNRKSA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CSC(C)(C)C)N1 587840849 NEGKVVKIXKVCSM-QLJPJBMISA-N 360.336 4.869 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1c(C)cc(C)cc1C 587868660 OCCMSAHGGYYHKH-UHFFFAOYSA-N 361.367 4.887 0 1 FJAF Cn1nc(-c2ccccc2)cc1[C@]1(C)c2c(F)cccc2C[C@@H]2CCCN21 963098662 IYNHDSYHQGRXIF-FDDCHVKYSA-N 361.464 4.510 0 1 FJAF COc1ccc(-c2cc3c(=N[C@H](C)C4CCCCC4)nc[nH]c3o2)cc1 1772581467 GUNJQUPJXFVBLR-CQSZACIVSA-N 351.450 4.701 0 1 FJAF Fc1ccc(-n2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1F 1772605108 XSQVJCUDBYVXQW-UHFFFAOYSA-N 363.367 4.792 0 1 FJAF C[C@H]1CN(c2snc3ccc(-c4cccc(Cl)c4)nc23)C[C@@H](C)O1 1911573505 IQERVQMCHBJSPO-TXEJJXNPSA-N 359.882 4.625 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3cccc(Cl)c3F)nc2c1 1911582966 BODPURINKKUQFC-QHCPKHFHSA-N 353.717 4.857 0 1 FJAF N[C@H](c1csc(Nc2nncc3ccccc23)n1)c1ccccc1Cl 61929039 GCRYBPRWBPKFMF-INIZCTEOSA-N 367.865 4.531 0 3 FJAF COc1ccc(Cc2oc3c(Cl)cc(CCCO)c(O)c3c2C)cc1 3800398 SYIHQALWEIPVRL-UHFFFAOYSA-N 360.837 4.625 0 1 FJAF COc1c2c(c3c(=O)occc3c1OC)CC[C@H]1C(C)(C)CCC[C@@]21C 13483212 WKJIVSUNCMEFJU-OYHNWAKOSA-N 356.462 4.840 0 1 FJAF biogenic C/C=C1\C[C@@]2(C)[C@@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C12 13651594 NQTJYLUENOWMAI-CWOJJGSVSA-N 352.474 4.824 0 1 FJAF CC(=O)N1[C@H]2CC[C@@H]1CC(OC(c1ccc(F)cc1)c1ccc(F)cc1)C2 13776247 KXVANVFVPHMDSA-WCRBZPEASA-N 371.427 4.613 0 1 FJAF O=C(OC[C@@H]1CCCN(CCCc2ccccc2)C1)c1ccccc1Cl 27205406 CPHUWRHMKFXMHV-LJQANCHMSA-N 371.908 4.842 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)Nc1ccccn1)CC2 28645127 WWQBRKMNPXXKQJ-FUHWJXTLSA-N 366.505 4.867 0 1 FJAF CCCCSc1nc(NC(C)=O)cc(OCc2ccc(Cl)cc2)n1 29131791 PLKKZIPGZIROHA-UHFFFAOYSA-N 365.886 4.560 0 1 FJAF O=C(O)c1c(O)c(-c2ccc(Cl)cc2)nc2c(C(F)(F)F)cccc12 35086900 IFOJFPDDHMLNHD-UHFFFAOYSA-N 367.710 4.978 0 1 FJAF O=S(=O)(Oc1cccc2ccccc12)c1ccc2[nH]c3ccncc3c2c1 40896531 ODXSPKNVLJCYLA-UHFFFAOYSA-N 374.421 4.637 0 1 FJAF CCCCCCSc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1 42989166 MMZIRTMSQRLTRJ-UHFFFAOYSA-N 369.958 4.917 0 1 FJAF CCN(CC)CCOc1cccc(-c2cn3c(n2)sc2ccccc23)c1 43130884 MXUKTKBOQPYUCK-UHFFFAOYSA-N 365.502 4.937 0 1 FJAF O=C(O)C[C@]1(C2CCCC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112267 AKONFVDGMSCXDM-GOSISDBHSA-N 368.260 4.908 0 1 FJAF OCCCCNc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12 62260417 MZZJDWBWZMUWDF-UHFFFAOYSA-N 359.429 4.741 0 1 FJAF CCCCCn1c(C(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179685 SRQBHFJWZJNHRC-UHFFFAOYSA-N 369.488 4.934 0 1 FJAF O=C(Nc1ccccc1-c1nc(Cl)cs1)OCC[C@H]1CCCCN1 84740344 YHQSHGPYYNXGGA-GFCCVEGCSA-N 365.886 4.544 0 1 FJAF CC1=C(Oc2ccccc2)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103180986 JIUCMAHZFGLDDG-UHFFFAOYSA-N 364.470 4.727 0 1 FJAF COc1ncccc1N[C@@H](c1cccnc1)c1c(C)[nH]c2cc(C)ccc12 103244950 MWRFNJNGUSICNX-NRFANRHFSA-N 358.445 4.785 0 1 FJAF C[C@H]1[C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23CN1O 153116199 IJXJZTJHUIMUND-ALCLCTQTSA-N 358.570 4.569 0 1 FJAF CCCC[C@H](CC)[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 169316727 OIQPCFHRGUSHSO-YPPGIZOVSA-N 364.526 4.916 0 1 FJAF Cc1ccncc1-c1ccnn2c(-c3cccc(C(F)(F)F)c3)cnc12 199760884 UPMUWMWPEHXKFG-UHFFFAOYSA-N 354.335 4.786 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1Cc1c2n[nH]c1C(F)(F)F 253639372 STCJOUJYTRRLKN-DZASIIFFSA-N 362.395 4.704 0 1 FJAF COc1cc(/C=C/c2nc3cc(C)cc(F)c3[nH]2)ccc1Br 586978161 YGNWJRYHOFUQFB-GQCTYLIASA-N 361.214 4.952 0 1 FJAF FC(F)(F)c1cc2nc(Cc3csc4nccn34)[nH]c2cc1Cl 587041304 YFOQOJJAWGQWLG-UHFFFAOYSA-N 356.760 4.535 0 1 FJAF Clc1ccc2ccc(-c3nc4cc5c(cc4[nH]3)OCCO5)nc2c1Cl 587083105 GSHCAJPQFUPHIA-UHFFFAOYSA-N 372.211 4.856 0 1 FJAF Cc1cc(C)c2[nH]c([C@@H](N)CCC(=O)Nc3ccc4ccccc4c3)nc2c1 587258755 SCKSAEKUEIKTKR-IBGZPJMESA-N 372.472 4.752 0 1 FJAF CC[C@]1(c2ccccn2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342117 YXTASKWYGCGLLZ-RBBKRZOGSA-N 363.388 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(Cc1ccc(Cl)c(Cl)c1)[C@@H](C2)C3=O 587418631 AFHIEJUNLFQACU-ORAYPTAESA-N 363.240 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)ccc(Cl)c1F)CC2=O 587465629 GDIYAMUFJCWZHM-OAHLLOKOSA-N 350.773 4.549 0 1 FJAF O=C1C[C@@]2(COCc3cccc(Cl)c32)Oc2c1ccc1c2CCCC1 587497112 FNTIWHJVTALWBN-NRFANRHFSA-N 354.833 4.610 0 1 FJAF Cn1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1-c1ccccc1 587514571 GZYKIKPBBBFKON-QFIPXVFZSA-N 358.441 4.672 0 1 FJAF C[C@H](CCc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602350 JKNNHWMFQXBQOC-WONHAXNMSA-N 374.436 4.991 0 1 FJAF CC[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609844 DUBZENULXRSEPW-GHTZIAJQSA-N 366.438 4.807 0 1 FJAF CC(C)OC1CCC2(CC1)N[C@@H](C)Cc1ccc(F)c(Br)c12 587812502 QYTZGUNKQMYYHG-DTVQEZCTSA-N 370.306 4.685 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](Cc2ccccc2)(C2CC2)N1 587815373 LXZLEOCHVAEHQV-RNODOKPDSA-N 374.297 4.970 0 1 FJAF Cc1cc(Cl)ccc1O[C@@H](C)C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587874278 SNVQOZGACCWLGF-NSHDSACASA-N 372.783 4.864 0 1 FJAF Cc1cc(C)n([C@H]2CCC[C@]3(C2)NCCc2c(Cl)cc(Cl)cc23)n1 963108378 NTZMLWATKOSIIH-HNAYVOBHSA-N 364.320 4.963 0 1 FJAF COc1ccc(N=c2nc(-c3cccs3)[nH]c3ccccc23)cc1OC 1857549552 DXSMVRTYTCGGBA-UHFFFAOYSA-N 363.442 4.541 0 1 FJAF COc1c(C)[nH]c2c(OC)ccc(CCCCCc3ccccc3)c2c1=O 2382216786 ZHNWMIKYJGIFQK-UHFFFAOYSA-N 365.473 4.809 0 1 FJAF CC(C)Oc1cccc(-c2ccc3nnc(-c4ccc5c(c4)CCO5)n3c2)c1 2382219981 DPAATBRYANSICE-UHFFFAOYSA-N 371.440 4.785 0 1 FJAF CCCCC/C=C\C[C@@H](O)c1ccc(/C=C\[C@@H](O)CCCC(=O)O)cc1 3785042 PMXCCDGQXSYFOD-AESKDIFHSA-N 360.494 4.876 0 1 FJAF investigational O=C1C[C@@H](c2nc3cc4ccccc4cc3[nH]2)CN1c1cccc(Cl)c1 4671019 ILZQBGIEATWEIQ-OAHLLOKOSA-N 361.832 4.890 0 1 FJAF Fc1ccc(CCN2CCC3(CCc4ccc(F)cc4O3)CC2)c(F)c1 13472076 RJHAJYOHAGENKY-UHFFFAOYSA-N 361.407 4.506 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)cc2C)c1 14945222 BOBGABAXWFYHQX-UHFFFAOYSA-N 371.440 4.858 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3cccc(OCc4ccccc4)c3)c12 28885038 CUUVDXRUAQXJBV-UHFFFAOYSA-N 370.456 4.825 0 1 FJAF Cc1nc(-c2ccccn2)nc(NCCc2ccc(Cl)cc2)c1Cl 40402646 UQYMOKPWDPKRNN-UHFFFAOYSA-N 359.260 4.808 0 1 FJAF Cc1c(Cc2cc(Cl)cc(Cl)c2)c(-c2ccccc2)nn1CCO 45319981 KPOHEKCMFLHBIW-UHFFFAOYSA-N 361.272 4.748 0 1 FJAF S=C(NCCc1ccccc1)N1CC[C@@H]2C[C@H]1c1c(Cl)cccc12 61924078 RQXZCPUCPTUARH-QAPCUYQASA-N 356.922 4.691 0 1 FJAF Cc1ccc(CCNCc2coc(-c3ccccc3Br)n2)cc1 72182534 YXZGALVYICPXHA-UHFFFAOYSA-N 371.278 4.745 0 1 FJAF CC[C@H](C)Cn1c(-c2ccc(OC)cc2)nc2c(NCC(C)C)ncnc21 82177800 AGXUCUCFMKKRHT-HNNXBMFYSA-N 367.497 4.616 0 1 FJAF O=C1C[C@@H]2CCOc3ccc(Cl)cc3C2=NN1c1ccc(Cl)cc1 103223640 ACUJKOHLRZMDHT-NSHDSACASA-N 361.228 4.533 0 1 FJAF Fc1cc(-c2ccn3c(CC4CC4)nnc3c2Cl)ccc1NC1CC1 114488983 VKSZVIKJHUIIQE-UHFFFAOYSA-N 356.832 4.716 0 1 FJAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)Nc1ccc(Cl)c(Cl)c1 117718184 UETZJIMFHAMSTA-GFCCVEGCSA-N 350.249 4.714 0 1 FJAF CCCC[C@@H](CC)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147125009 OIQPCFHRGUSHSO-KOYXMJBWSA-N 364.526 4.916 0 1 FJAF Nc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(O)cc3)C2)cc1 299824328 JSORGUPHUSFWMM-NRFANRHFSA-N 363.848 4.984 0 1 FJAF Cc1cc2nc(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)[nH]c2cc1F 586916490 ZWQYEUFXBNCAOY-UHFFFAOYSA-N 362.360 4.779 0 1 FJAF CCCC(Br)(CCC)c1nc2cc(OC)c(OC)cc2[nH]1 586970647 HTBYRKBFMRZSKK-UHFFFAOYSA-N 355.276 4.771 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587013418 OFWIHZGQGWLFNT-UHFFFAOYSA-N 364.474 4.630 0 1 FJAF Cc1ccc2c3c(c(CC(=O)O)c(-c4ccco4)nc13)-c1ccccc1C2=O 587100523 BRCXUKIQQSCKAE-UHFFFAOYSA-N 369.376 4.642 0 1 FJAF Cc1ccc2c3c(cc(-c4c(O)cccc4O)nc13)-c1ccccc1C2=O 587102356 WJENOCUPZRVOCY-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2c1 587108866 HFKFQQACSKRNHL-UHFFFAOYSA-N 372.705 4.828 0 1 FJAF FC(F)(F)Sc1ccc(/C=C/c2nc3cnc(Cl)[nH]c-3n2)cc1 587125891 VDZCXWQCOFRJJP-ZZXKWVIFSA-N 356.760 4.740 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3ccc4ncccc4c3[nH]2)c(N)cc1F 587136581 SCZOZQJKWUOMGO-UHFFFAOYSA-N 350.397 4.677 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc4cn[nH]c4cc3[nH]2)c1 587158644 IPKJIUKCAWXZLC-UHFFFAOYSA-N 368.375 4.584 0 1 FJAF C/C=C\COc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400890 SETQYAABHSOEKW-VMXOYPLMSA-N 365.473 4.889 0 1 FJAF COc1cc2c3c(c1)O[C@](c1cccc(C(F)(F)F)c1)(C1CC1)[C@@H](C2)C3=O 587420821 HOWREHUHWVHFPY-JXFKEZNVSA-N 374.358 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C[C@@H]1CCOC1)(c1ccccc1)CC2=O 587491728 PKCXOOSRIBASMV-HJPURHCSSA-N 366.457 4.632 0 1 FJAF O=C1C[C@H](c2cccc(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1 587515501 OYRUXWATWKMPIN-JOCHJYFZSA-N 356.425 4.729 0 1 FJAF CCCOc1cccc(Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587778090 HBKISTLZXQBYAR-UHFFFAOYSA-N 350.340 4.841 0 1 FJAF COc1cccc(C)c1-c1nc2cc(Cl)cc(Br)c2[nH]1 587787097 QATDMTXEZMDLGM-UHFFFAOYSA-N 351.631 4.963 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587952725 WFXOCUYGNAMSCC-KSMMKXTCSA-N 356.445 4.934 0 1 FJAF CCCc1ccc([C@H]2c3cc(OC)ccc3CCN2CCCOC)cc1 961329857 ZXLMLSJCIFYPBC-QHCPKHFHSA-N 353.506 4.632 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3ccc(C)cc3)nc2C)N1 962946327 LLBTZUOAGZVOAK-MZNJEOGPSA-N 370.500 4.984 0 1 FJAF COc1cc(NCc2cc3cc(C)c(C)cc3nc2O)ccc1-n1cccc1 1857555780 VUMOZMHQXHNBGZ-UHFFFAOYSA-N 373.456 4.969 0 1 FJAF Oc1n[nH]c(C(F)(F)F)c1Cc1ccc2c(Br)cccc2c1 3787867 VQFKRACRWUYEAI-UHFFFAOYSA-N 371.156 4.641 0 1 FJAF Clc1cccc(/C=c2\nc(-c3ccccc3)n3c2nc2ccccc23)c1 5597107 WULBRFKCIUKLCF-RGEXLXHISA-N 355.828 4.751 0 1 FJAF COc1ccccc1C(=O)c1ccc(Nc2ccccc2N)cc1Cl 13531301 AQXKGSIGOIIUJI-UHFFFAOYSA-N 352.821 4.905 0 1 FJAF CN1CCC(c2cc(-c3ccncc3)c(-c3ccc(F)c(F)c3)[nH]2)CC1 28470144 MTGNKYLCXIVAEY-UHFFFAOYSA-N 353.416 4.831 0 1 FJAF Cc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc[nH]3)C2)cc1 28653534 XRNLPBGOTLBDNT-FQEVSTJZSA-N 360.486 4.871 0 1 FJAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1CCCCc1ccccc1 64436528 TYKSHJPRQWJNHO-DHIUTWEWSA-N 365.517 4.821 0 1 FJAF in-vivo O[C@H](CSc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 84689919 SFWQVUHZYXNTJW-QFIPXVFZSA-N 363.526 4.842 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)c1ccco1 98082304 ROJWSSSDVOLADS-AMLHBDFJSA-N 369.505 4.600 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@H]3CC3(F)F)nn2-c2ccccc2)cc1 299831031 XSIZJNIOOVBCEX-MRXNPFEDSA-N 368.387 4.947 0 1 FJAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C(F)(F)F)cc2[nH]1 586881692 HXXIGIFGVIBXLJ-UHFFFAOYSA-N 360.335 4.510 0 1 FJAF C[C@H](SCc1ccccc1)c1nc2c(F)cnc(Br)c2[nH]1 586964096 UODJSMFHJIVXKN-VIFPVBQESA-N 366.259 4.854 0 1 FJAF COc1ccccc1Cc1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586990266 BSVRJNHBCZOQNW-UHFFFAOYSA-N 367.404 4.751 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3ccc(Br)cc3[nH]2)c1 587049334 GXOPEVKZUNPHLR-UHFFFAOYSA-N 364.630 4.604 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@H]4c4cccc(F)c4)[nH]c3c2)cc1N 587162241 UUNWXRJVZREDOU-DLBZAZTESA-N 358.420 4.805 0 1 FJAF CCC[C@H](O)[C@@]1(CCC)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587347945 CGRJJBPGJAEADX-JAXLGGSGSA-N 372.436 4.590 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)C[C@@H](C)Oc2ccc(F)cc21 587471726 MTGMGNOXQVISQK-GTJPDFRWSA-N 356.393 4.516 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3cc([C@H](N)N=O)ccc3[nH]2)cc1 587932616 QUORFSAKRUVSPM-HXUWFJFHSA-N 358.401 4.629 0 1 FJAF CCCCCCOc1ccc([C@@H]2NCCc3c2c(C(C)C)nn3C)cc1 962915206 GSNAVXOCWJOMGH-QFIPXVFZSA-N 355.526 4.738 0 1 FJAF O=C(Nc1ccc(Br)cc1)c1cc(Cl)c(Cl)cc1O 1772586873 BXTRKFQRNNWISU-UHFFFAOYSA-N 361.022 4.714 0 1 FJAF COc1cccc2c1C(=O)[C@@]1(CCCCN1CCc1ccccc1C)CC2 1772621826 FJOCVHATXSZKON-XMMPIXPASA-N 363.501 4.600 0 1 FJAF NCc1cc(Oc2cccc(COc3ccccc3)c2)nc(C(F)(F)F)c1 1857570573 SAHIZENKTPRYSN-UHFFFAOYSA-N 374.362 4.930 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)O[C@@H](c1ccccc1Cl)C(=O)N2 1857631981 KCEBSCSGPHXONU-SFHVURJKSA-N 354.793 4.684 0 1 FJAF Cc1cccc(C)c1N1CCN(CCOc2ccc3ccccc3c2)CC1 1857654416 ZMOPTDSDDWICRP-UHFFFAOYSA-N 360.501 4.658 0 1 FJAF COC(=O)[C@H](C)CCC[C@H](C)[C@@H]1CC[C@H](C)c2c(O)cc(C(=O)O)cc21 2356845368 OECIULCWWQFRHD-AYDFFVQHSA-N 362.466 4.687 0 1 FJAF C[C@H](OCC(=O)O)[C@@H](C)Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 597576 ADVNUIUADIXWMI-QWHCGFSZSA-N 368.539 4.958 0 1 FJAF Cc1ccn2cc(-c3ccc(OCCCN4CCCCCC4)cc3)nc2c1 1909635 OXUDXGUDCGIZEW-UHFFFAOYSA-N 363.505 4.955 0 1 FJAF CCCN(CCC)c1nc(C)nc2c(-c3ccc(Cl)cc3C)n(C)nc12 13445087 XXOSKRAGKXCEHR-UHFFFAOYSA-N 371.916 4.927 0 1 FJAF O=C1O[C@H](Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 14769475 IQRURBLUDNZHDE-XMMPIXPASA-N 354.449 4.937 0 1 FJAF biogenic C/C=C1/c2ccccc2C=C(N2CCN(C)CC2)c2cc(Cl)ccc21 26378860 GPGQEGGSDSKZFR-ZUWFHJRGSA-N 350.893 4.851 0 1 FJAF Cn1c2c(c3ccccc31)C(=O)[C@@H](CN1CCC(c3ccccc3)CC1)CC2 27740028 NPFGYEBTGQFLCQ-HXUWFJFHSA-N 372.512 4.803 0 1 FJAF CC(C)COC(=O)NCCc1nc(-c2ccc(-c3ccccc3)cc2)c[nH]1 28891197 KJCWZTRFZJNXNK-UHFFFAOYSA-N 363.461 4.668 0 1 FJAF COc1cc(-n2cncc2-c2ccc3ccccc3c2)cc(OC)c1OC 40577221 VQIFHAGEERVOKJ-UHFFFAOYSA-N 360.413 4.718 0 1 FJAF CC(C)Oc1ccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c(F)c1 84672130 PCUPMVDOMLPTKI-NRFANRHFSA-N 371.839 4.946 0 1 FJAF O=c1[nH]c2cc(-c3ccncc3)ccc2c2[nH]c(-c3ccccc3Cl)nc12 96270714 FUSNGHKYBLQGJW-UHFFFAOYSA-N 372.815 4.787 0 1 FJAF CCCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccc(C)o1 100703325 KYSHKOAHERKVIY-HNNXBMFYSA-N 371.462 4.800 0 1 FJAF CC[C@H](COc1cccc(C(F)(F)F)c1)OC(=O)NCc1ccccc1 103192660 NEIHWXHRXGMNLD-MRXNPFEDSA-N 367.367 4.789 0 1 FJAF COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586993716 ZLVGBGSCHVUYDB-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)c1 587051133 UYRBTROLLUWOPP-UHFFFAOYSA-N 371.721 5.000 0 1 FJAF Cc1cc(Cl)ccc1OCCCc1nc2cc(F)c(F)c(F)c2[nH]1 587067199 YDRQBAVUZVNEPR-UHFFFAOYSA-N 354.759 4.954 0 1 FJAF Cc1nc2[nH]c(-c3ccc(C(F)(F)F)cc3F)nc2cc1Br 587109427 PKDHXMQLASQFLE-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF Cc1cc(-c2nc3nccc(C)c3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145476 XPVVASULMFCZPL-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cc(F)cc(F)c2[nH]1 587191976 PYTUMKRFLBCQJE-KRWDZBQOSA-N 373.403 4.797 0 1 FJAF C[S@](=O)c1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1 587209697 SBXQUPGDERPBIJ-MHZLTWQESA-N 369.445 4.851 0 1 FJAF CCc1ccc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2c1 587242361 UBOHJQWHHBLMKC-UHFFFAOYSA-N 353.422 4.845 0 1 FJAF COC1(C[C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)CCC1 587347587 FIYMXAQRPGJWQV-PZJWPPBQSA-N 370.420 4.608 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3cc(Br)ccc3[nH]1)O2 587371693 MJTSMFCXCOYTHM-KRWDZBQOSA-N 371.234 4.528 0 1 FJAF COc1ccc([C@]2(CCC(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587445170 ZQNUEVBVXXYYSW-XXBNENTESA-N 366.457 4.783 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3c(cc1OCC)CCC3)CC2=O 587483470 XAVHKMFVOPQNKB-JOCHJYFZSA-N 366.457 4.939 0 1 FJAF Cn1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc2ccc(Cl)cc21 587496260 ARUQDDULYORBTK-IBGZPJMESA-N 366.848 4.812 0 1 FJAF Oc1nc(O)c2cc3c(nc2n1)CCCC=CCCCCCCCCC3 587562373 YLRRCNVMDBMHQD-UHFFFAOYSA-N 355.482 4.992 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1C[C@H]1c1ccccc1 587602831 LJRJJXDXGJCKCF-PYDOFHOQSA-N 358.393 4.526 0 1 FJAF COCCc1c([C@@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631867 XZOULKDCIJAVHG-SNVBAGLBSA-N 370.852 4.735 0 1 FJAF CCc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)cc1 587638415 KVUSMXMAFZJJES-UHFFFAOYSA-N 361.319 4.841 0 1 FJAF CC(C)Oc1ccc(NC(=S)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587876078 KXJAPVOBCGFDKV-UHFFFAOYSA-N 369.421 4.827 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4ccnc(Cl)c4[nH]3)c2)c1 587933083 JOQQXMDPIGLJNY-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CCOC(=O)Cc1ccc2nc([C@H](C)Oc3ccc4ccccc4c3)[nH]c2c1 587952120 YIEDANYRNDDZEF-HNNXBMFYSA-N 374.440 4.962 0 1 FJAF COc1ccc2c(c1)[C@H](c1ccc([C@@H]3CCCCO3)o1)N(C(C)C)CC2 962093885 QMRIUFQFSQJODB-SIKLNZKXSA-N 355.478 4.886 0 1 FJAF Cc1cc(C)c([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c(C)c1C=O 963102865 NQBYOAJFVJALKC-XXBNENTESA-N 351.465 4.847 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCCN(C(=O)OC(C)(C)C)C2 963236920 YHCAWBDCRUUWKE-VGOFRKELSA-N 358.526 4.569 0 1 FJAF O=C(Nc1ccc2sc(-c3ccc(F)c(F)c3)nc2c1)N1CCCC1 1772644445 RXBANXRPEZVSOX-UHFFFAOYSA-N 359.401 4.869 0 1 FJAF CC(C)c1ccc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)N(C)C)cc1 4211376 NXHWRYJFQQEUCU-UYAOXDASSA-N 370.880 4.643 0 1 FJAF COc1ccccc1C1CCN(C[C@@H]2CCc3ccccc3C(=O)C2)CC1 13488322 CDERSZAVJZTQTD-GOSISDBHSA-N 363.501 4.710 0 1 FJAF Fc1ccccc1-c1cc(-c2cnc3nc(C(F)(F)F)ccn23)ccn1 28570645 FIZTZZUELBWXAD-UHFFFAOYSA-N 358.298 4.616 0 1 FJAF O=C(Nc1cccc(C2=NCCO2)c1)c1ccc(-c2ccc(Cl)cc2)o1 28972776 HYGDVQUWLNEKQY-UHFFFAOYSA-N 366.804 4.629 0 1 FJAF CC1(C)CCC(C)(C)c2cc([C@@H](O)COc3ccc(C(=O)O)cc3)ccc21 34368241 UKOIJXMXVPKISB-FQEVSTJZSA-N 368.473 4.846 0 1 FJAF CC[C@@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)[C@@H](C)C1 58482546 GLFWSJZORURSFC-SJORKVTESA-N 371.550 4.557 0 1 FJAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccccc3OC)cc1CC2 95580489 DHBCQHMBVNVVIE-UHFFFAOYSA-N 359.425 4.777 0 1 FJAF C[C@H]1c2[nH]c3ccc(-c4ccccc4)cc3c2Cc2c(O)n(C)c(=S)n21 169729589 OLHVJTUTBNEVCF-LBPRGKRZSA-N 361.470 4.923 0 1 FJAF CC1=CC[C@@H](C[C@H](C)Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 473194476 KCXMCDKKIBWBCH-ZGRIDLSWSA-N 357.475 4.914 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 586884722 AJTZVMHXMKIHPU-MEDUHNTESA-N 350.340 4.607 0 1 FJAF Fc1ccc2nc([C@@H]3SCCc4sccc43)[nH]c2c1Br 587036771 MVTHVVKOIZLQAT-CYBMUJFWSA-N 369.284 4.905 0 1 FJAF Cc1nn(-c2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)c(C)c1Cl 587064344 ADMOMAVRBCNXEO-UHFFFAOYSA-N 358.779 4.964 0 1 FJAF FC(F)(F)Sc1ccc(/C=C\c2nc3nc(Cl)c[nH]c-3n2)cc1 587123524 DIXUFWZGFGBQJU-UTCJRWHESA-N 356.760 4.740 0 1 FJAF Fc1ccc(O[C@H](c2ccccc2)c2nc3cccnc3[nH]2)c(Cl)c1 587159445 QDWITCIIAWDXEK-QGZVFWFLSA-N 353.784 4.919 0 1 FJAF CCc1ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c2c1 587172009 CGJJBWHRXUYOIJ-UHFFFAOYSA-N 365.383 4.720 0 1 FJAF CC(=O)c1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4)cc3)nc2c1 587244281 NASRIOSGOGEYMJ-UHFFFAOYSA-N 355.397 4.685 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)([C@H]1O[C@H]1c1ccccc1)O2 587412181 MHTJGFDGBWUKTN-XWGVYQGASA-N 371.436 4.578 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2CC2(Cl)Cl)N1 587691487 GAXSCCAIBWEGGX-RDZIJCNDSA-N 367.089 4.531 0 1 FJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(C(F)(F)F)ccc3[nH]2)cc1 587785789 ORAOCXFYABCLLO-KBPBESRZSA-N 360.335 4.525 0 1 FJAF CCOC(=O)CCC[C@]1(C2CCCC2)N[C@H]2CC[C@@H]2c2ccc(OC)cc21 962992444 GKBBEBVVIITJEI-UNWVZKJWSA-N 371.521 4.663 0 1 FJAF C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3ccc4nccnc4c3)cc21 1857604859 AVBKOIKHCMUYHG-DEOSSOPVSA-N 365.436 4.749 0 1 FJAF Clc1ccc2nc(-c3ccccc3)nc(N=c3cc(C4CC4)[nH][nH]3)c2c1 1857630389 FWZSHVGHFOUDDF-UHFFFAOYSA-N 361.836 4.716 0 1 FJAF CCC=CCC=CC=C[C@H](O)CC=CC=C[C@@H](O)CCCCCC(=O)O 2356351614 BCWQNTXSYCKTHB-LEWJYISDSA-N 362.510 4.715 0 1 FJAF Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)c1ccc(F)cc1 1330000 JDFJCYYFHSPETA-UHFFFAOYSA-N 354.406 4.700 0 3 FJAF COc1cccc([C@@](C)(O)c2nc(-c3ccc(F)c(Cl)c3)cs2)c1 61898029 OXXDULMTQJYSIP-GOSISDBHSA-N 363.841 4.867 0 3 FJAF COC(=O)c1ccc2nc(C3CCCCC3)c(Cc3cccc(F)c3)n2c1 95567515 NIDIEQDFHVEQCH-UHFFFAOYSA-N 366.436 4.899 0 3 FJAF CCCCC(=O)N1CC[C@@H]2CC(=O)[C@@H](Cc3ccccc3)[C@@H]3CCC[C@H]1[C@@H]23 211061832 MRSBKNALSJZESL-AJLGQFKYSA-N 367.533 4.642 0 3 FJAF CSC1=N[C@H]2/C(=C(/O)OCCCCCSc3ccccc32)C(C)=N1 605591 PIRYLGGXEKYRTL-CFBLSMTOSA-N 362.520 4.983 0 1 FJAF O=C(c1ccco1)N1CCC2(CC1)CN(c1cccc(-c3ccccc3)c1)C2 3956098 JMLUYTYMRSRYCW-UHFFFAOYSA-N 372.468 4.689 0 1 FJAF CC(C)(C)c1cccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)c1 14979769 CEJTUXZGAJHLKB-UHFFFAOYSA-N 352.434 4.502 0 1 FJAF CSc1sc(C(=N)N)cc1-c1csc(NCc2ccc(C)cc2)n1 28006273 YODCXSDDGBHEEN-UHFFFAOYSA-N 374.560 4.798 0 1 FJAF O=C(Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1)N1CCCCC1 28826684 PWTSFLUGJNLKKD-UHFFFAOYSA-N 366.339 4.877 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)CCN[C@H]2Cc1ccccc1 29313862 CEXJLJZSVFHBKS-QFIPXVFZSA-N 359.469 4.704 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34212564 LKCRMGJZGXVDFH-DBJZPHGSSA-N 357.538 4.515 0 1 FJAF Cc1nc(CNc2ncnc3ccc(-c4sc(C)nc4C)cc23)cs1 64621964 KDEHKKREBWSZMI-UHFFFAOYSA-N 367.503 4.747 0 1 FJAF Cc1ccc(OCc2cn(C(c3ccccc3)c3ccccc3)nn2)cc1 72181531 SDBRJYKIAZXQCG-UHFFFAOYSA-N 355.441 4.803 0 1 FJAF Clc1ccc(-c2nnc([C@H](NCc3ccccc3)c3ccc[nH]3)o2)cc1 169307879 ORKDNCYUHVEQFA-GOSISDBHSA-N 364.836 4.597 0 1 FJAF COc1ccc2nc(-c3nc4cc(Br)c(C)cc4[nH]3)sc2c1 587034909 JDMJWDUIHXESOO-UHFFFAOYSA-N 374.263 4.919 0 1 FJAF COc1cc(OC)c2[nH]c([C@H](C)Cc3cccc(C(F)(F)F)c3)nc2c1 587113993 PYTVLZAESGMSQQ-LLVKDONJSA-N 364.367 4.945 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587168008 CQMDTOLOEWZQCC-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(Br)c[nH]c3c1)O2 587370682 HIQTUJPUDVRVHK-QGZVFWFLSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1NC(=O)OC(C)(C)C)O2 587390659 PLUJJDFJDYFGAW-GOSISDBHSA-N 368.433 4.631 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O 587438299 NDGNIXLQBCJGKJ-MHECFPHRSA-N 373.452 4.773 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3cc(C)c(C)cc31)CC2=O 587494686 ZQQHILFDXMFPMT-QHCPKHFHSA-N 366.457 4.995 0 1 FJAF O=C1C[C@]2(CCCOc3c(F)cc(F)cc32)Oc2c1ccc1c2CCCC1 587509223 QTFBHVAQRNDMFT-QFIPXVFZSA-N 370.395 4.877 0 1 FJAF CC1(C)Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604524 USVNKGDJFFZWIH-GBXCKJPGSA-N 372.420 4.832 0 1 FJAF COc1ccc(CCCc2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c1 587929469 UVPLMHJOCPMGKF-UHFFFAOYSA-N 364.367 4.774 0 1 FJAF CCc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc(O)c2)cc1 653899255 ZHILFWYSOVDSQK-CCEZHUSRSA-N 368.436 4.824 0 1 FJAF CC(C)(Cc1csc(-c2ccccc2)n1)NC(=O)N1CCCCCC1 1772634656 OWHIUKBYZYYTOH-UHFFFAOYSA-N 357.523 4.717 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(CC/C=C/c2ccc(F)cc2)CC1 1857572390 DJBHHEQBMOYWRH-HNQUOIGGSA-N 359.872 4.866 0 1 FJAF O=C(Nc1ncc(Cc2ccnc3ccccc23)s1)C1CCCCC1 1857756318 ULJGBKVTAWNQKY-UHFFFAOYSA-N 351.475 4.801 0 1 FJAF CCOCO[C@]12CCC[C@]3(CO1)c1ccc(C(C)C)c(OC)c1CC[C@@H]23 1857760265 PPVMHGGHYOIOHB-HJNYFJLDSA-N 360.494 4.540 0 1 FJAF C[C@@]1(Cc2ccccc2Cl)C(=O)Nc2ccc(OC(F)(F)F)cc21 61898175 NMLBKIZCLFXZBU-INIZCTEOSA-N 355.743 4.691 0 3 FJAF N=C(Nc1ccc(Br)cc1)Nc1ccc(Br)cc1 13733775 LRCORPJIFQHXPW-UHFFFAOYSA-N 369.060 4.670 0 1 FJAF CC(C)CSc1cc2c(cc1Cl)C=C(C(=O)O)[C@H](C(F)(F)F)O2 66157140 YBUPKAFNJNXZCU-CYBMUJFWSA-N 366.788 4.879 0 1 FJAF O=C(O)Cn1c(SCc2cc(Cl)ccc2Cl)nc2ccccc21 84654159 BVDPPJZYHPMSIR-UHFFFAOYSA-N 367.257 4.720 0 1 FJAF O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)N1CCCCC1 103259415 JCUGASAHATWYFQ-UHFFFAOYSA-N 356.813 4.561 0 1 FJAF Cc1cc(OC(F)(F)F)ccc1-c1ccc2nnc(C(F)(F)F)n2c1 114878658 DXDBYFBPUJZHDW-UHFFFAOYSA-N 361.245 4.622 0 1 FJAF C[C@@H](NC(=O)[C@H]1CCCc2ncsc21)c1ccc(Cl)cc1Cl 220883034 NOLDZMBPPJQJGJ-SKDRFNHKSA-N 355.290 4.747 0 1 FJAF CNC(=O)Nc1nc2cc(Oc3cccc(-c4ccccc4)c3)ccc2[nH]1 299833796 WOPNTHKBVUSOMY-UHFFFAOYSA-N 358.401 4.774 0 1 FJAF Cc1c(-c2nc3c(C)c(Br)ccc3[nH]2)oc2c1[C@@H](O)CCC2 586905492 QVFVVJLFPCONEM-LBPRGKRZSA-N 361.239 4.572 0 1 FJAF Cc1c(Cl)ccc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586984773 UPWABYHJGHTSOZ-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF CC(C)c1c([C@H]2CCCNC2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989835 RGQRPSIGZYLWTA-AWEZNQCLSA-N 372.468 4.742 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2cncc(Cl)c2[nH]1 587044788 RVQFXVOSUNGNLX-UHFFFAOYSA-N 358.612 4.602 0 1 FJAF Fc1ccc(/C=C\c2nc3cc(F)cc(Br)c3[nH]2)c(F)c1 587148714 KHNBKUCATFZKDM-RQOWECAXSA-N 353.141 4.913 0 1 FJAF Nc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c2ccccc2c1 587251331 CUSOHOAKAPPKDD-UHFFFAOYSA-N 365.440 4.797 0 1 FJAF O=C1c2ccc(O)cc2OC2(C[C@H]3CC[C@@H](C3)C2)[C@H]1c1ccc(F)cc1 587350865 IKRBYVPOKRYRRB-YRVVQQKDSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](C)c3c(Br)cccc31)O2 587370703 HJWYZKAIQADBES-WYRIXSBYSA-N 372.262 4.708 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(-c3ccc(F)cc3)ccc1O)O2 587383795 GWBFEZZGEFLKNC-NRFANRHFSA-N 363.388 4.795 0 1 FJAF CC1=CC[C@H]([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601801 HTIUXIRIAFVNKX-WQFQCULDSA-N 350.414 4.859 0 1 FJAF Cc1cccc2c1[C@]1(CC2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602657 JIBDHFWYTUQCMX-OFNKIYASSA-N 358.393 4.504 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c([C@@H](NC(=O)OC(C)(C)C)C(=O)O)c2c1 587643280 STBPLRDFQPUSPO-APPDUMDISA-N 360.454 4.640 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842849 GPDYRWPDBXAHHD-ZKANADHPSA-N 354.288 4.890 0 1 FJAF COc1cccc(C2(c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)CCCC2)c1 587929965 BGZNHNKVNZZDTN-UHFFFAOYSA-N 372.371 4.753 0 1 FJAF Cc1ccccc1[C@@]1(CCCCCCC(=O)O)NCCc2ccc(O)cc21 963340449 HOZKVKIRUUAMOI-HSZRJFAPSA-N 367.489 4.515 0 1 FJAF CC(C)Cc1nn(-c2cccc(F)c2)cc1C(=O)Nc1ccc(F)cc1 1772603029 PCURYZQNYCTHOW-UHFFFAOYSA-N 355.388 4.601 0 1 FJAF O=C(Nc1cc(Cl)ccc1C(=O)Nc1ccc(F)cc1)c1ccccc1 1772643181 GDYVOEAVFSPBLS-UHFFFAOYSA-N 368.795 4.984 0 1 FJAF CC[C@@H]1CN2CCc3ccccc3[C@@H]2C[C@@H]1C[C@@H]1NCCc2ccccc21 2356655803 KSQYVPHTTWSOHG-LGHCQICFSA-N 360.545 4.909 0 1 FJAF COc1ccc(/C=C/c2nc(C)c3c(c2C)COC(C)(C)O3)cc1OC 2382243123 LZVOMKXZFZPOKU-VQHVLOKHSA-N 355.434 4.531 0 1 FJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)NCCC(C)C 776260 CVUMIMFQMBNXFO-UHFFFAOYSA-N 358.482 4.814 0 1 FJAF O=C(O)CCCCCCCc1ccc(OCc2ccccc2C(=O)O)cc1 39219676 QCKOKXIFLRLNLH-UHFFFAOYSA-N 370.445 4.932 0 1 FJAF COc1cc(OC)c2ccn(CCC[C@@H]3CCC[C@@]4(CCCCO4)O3)c2c1 40953359 OKTDCOOPWZVWAN-HTAPYJJXSA-N 373.493 4.905 0 1 FJAF COc1cccc(N(C)C(=O)c2ccc(-c3ccc(F)c(F)c3)s2)c1 95582137 NOXGEZYMSCYIKZ-UHFFFAOYSA-N 359.397 4.979 0 1 FJAF O=C(c1ccccc1F)c1ccc(Nc2n[nH]c3cccnc23)cc1Cl 167009494 AQHFEYIJYHPEOR-UHFFFAOYSA-N 366.783 4.725 0 1 FJAF COc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3)nc12 586880143 NDEWAPSGQRYKRA-UHFFFAOYSA-N 358.397 4.912 0 1 FJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@H](C)c1nc3ccccc3[nH]1)N2 587030430 DVPUKNVZHPBXMV-ZEVOCZHWSA-N 370.503 4.690 0 1 FJAF COc1cnc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1Cl 587064184 CYDQZDHWUZCPPD-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF COC(=O)[C@@H]1CCCCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587098786 UMBTYPUNFQFKPU-GOSISDBHSA-N 371.436 4.738 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587189236 AFZXWZHZCUVBLM-OAHLLOKOSA-N 372.856 4.568 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1OCC(F)F)CC2=O 587467319 SFNPFTKVXXEGFG-GOSISDBHSA-N 362.372 4.695 0 1 FJAF Cc1ccc2nc(O)c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2c1 587524874 KVQKMCTXKLXMAU-OAQYLSRUSA-N 359.425 4.834 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2cccnc12 587587788 PUOITZAOJJNKQJ-XXBNENTESA-N 369.376 4.643 0 1 FJAF CC(C)c1cnc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852979 JWQJIVRCSYRUAQ-VFZGTOFNSA-N 369.303 4.792 0 1 FJAF N[C@@H](N=O)c1cccc(NC(=O)OC2c3ccccc3-c3ccccc32)c1 957756894 ZKLKJOWTFYLYAZ-FQEVSTJZSA-N 359.385 4.729 0 1 FJAF Cc1cccc(N2CCC([C@@H]3c4ccc(F)cc4C[C@@H]4CCCN43)CC2)n1 963110197 QSGXKUDTMRIBRZ-NZQKXSOJSA-N 365.496 4.507 0 1 FJAF Cc1ccc([C@@]2(c3cccc(F)c3)NCCc3cc(Cl)ccc32)nc1 963380338 JNKQIIXLDQKMSY-NRFANRHFSA-N 352.840 4.620 0 1 FJAF CCCOc1ccc(-c2cc(O)nc(-c3ccc(OC)cc3OC)c2)cc1 1857609010 VFNICRMHDJZYIO-UHFFFAOYSA-N 365.429 4.927 0 1 FJAF CCCCCn1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)c2cnccc21 1857616617 PEYOBKIXXLPKER-UHFFFAOYSA-N 365.521 4.925 0 1 FJAF CC(C)c1cccc2c(-c3ccc(Cn4cccn4)cc3)c(C(=O)O)[nH]c12 1857619548 YRQGZPDSSRKWSW-UHFFFAOYSA-N 359.429 4.901 0 1 FJAF O=C(OC1(c2cc3ccccc3c(=O)o2)CCCCC1)c1cccs1 36388776 FDKFAJHLFZRCEO-UHFFFAOYSA-N 354.427 4.871 0 3 FJAF COc1ccc(-c2n[nH]c3ccnc(-c4cccc(C(C)=O)c4)c23)c(C)c1 74388923 NRBQOAPEGBCZAJ-UHFFFAOYSA-N 357.413 4.812 0 3 FJAF COc1cc2c(c(OC)c1OC)C1(CCCCC1)C[C@H]2NCC=C(C)C 199724351 ASSQLQNFMGYDCX-QGZVFWFLSA-N 359.510 4.915 0 3 FJAF CO[C@H](C)CCCCCCCCC[C@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460249 BQXYXRGHAYTBOA-QAPCUYQASA-N 364.482 4.725 0 1 FJAF biogenic C[C@H]1CCC[C@@H](C)N1CCCNC(=O)C1(c2ccccc2)CCCCC1 13734059 QMNHUHKQSGXSPA-BGYRXZFFSA-N 356.554 4.658 0 1 FJAF O=C(NCc1ccccc1Cl)c1cccnc1Oc1ccccc1F 28460879 DYGPTDKLXVXKSQ-UHFFFAOYSA-N 356.784 4.596 0 1 FJAF O=C(O)C[C@@H](O)CCc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1 45298566 OEACPQMNTMJNAD-FQEVSTJZSA-N 362.425 4.914 0 1 FJAF Cc1csc(NC(=O)c2ccc(COc3cccc(OC(C)C)c3)o2)n1 95755584 WSINARZVMJOAKO-UHFFFAOYSA-N 372.446 4.663 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@@H](O2)[C@H]1COCCCc1ccccc1 299804790 WOGCVPJHUOMABS-NVWFQHRSSA-N 372.505 4.631 0 1 FJAF COc1ccccc1Oc1cc(NC[C@H]2CC[C@H]3C[C@H]2C3(C)C)ncn1 299881495 OBZABPCRXBXWRJ-OWCLPIDISA-N 353.466 4.762 0 1 FJAF FC(F)(F)c1ncc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)nc-2[nH]1 587050060 OKGUSNNSPSENTB-RNFRBKRXSA-N 373.165 4.901 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3cccc(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587061064 IWCSWFVIFLAWOB-KUHUBIRLSA-N 353.853 4.602 0 1 FJAF FC(F)(F)COc1cc(-c2nc3cc(Cl)cc(Cl)c3[nH]2)ccn1 587090956 CMZSEHCKUXAEJZ-UHFFFAOYSA-N 362.138 4.873 0 1 FJAF OCCc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095385 WJDBVOMWQHELDW-UHFFFAOYSA-N 374.284 4.802 0 1 FJAF COc1ccc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2c1 587137769 KNKZCBZATWFTCD-UHFFFAOYSA-N 355.594 4.794 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(Br)cc2[nH]1 587148881 BFMIAOKBKLLRDU-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF Cc1ccc2nc(/C=C\c3cccc(I)c3)[nH]c2c1C 587185203 ZFASFLVKVAXWNC-CLFYSBASSA-N 374.225 4.955 0 1 FJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4ccccc4N)cc3)nc2c1 587250797 PQWWSHQZHMAGMK-UHFFFAOYSA-N 371.440 4.585 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccccc1OC1CCCC1)[C@@H](C2)C3=O 587440103 AEGCKEQQOHNSSW-JTSKRJEESA-N 350.414 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccccc1Br)CC2=O 587459016 VVBKZUAHDYEAIM-KRWDZBQOSA-N 361.235 4.814 0 1 FJAF O=C1C[C@@H](c2cc(Cl)cc3c2OCOC3)Oc2c1ccc1c2CCCC1 587497415 ASLWYQMBLOENAB-IBGZPJMESA-N 370.832 4.792 0 1 FJAF C[C@H]1CCCC[C@H]1N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587515888 WZHDMSQNPHOTHI-LAUBAEHRSA-N 367.533 4.944 0 1 FJAF CC[C@H](C)[C@@H]1CC[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587600959 CGOIERNJZJTDCP-FGXHJERBSA-N 352.430 4.939 0 1 FJAF CC(C)c1csc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)n1 587609786 DITRFVQTWYUNCL-LPHOPBHVSA-N 367.426 4.675 0 1 FJAF CC[C@@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609943 FAVQTVXSFSSBMP-XLIONFOSSA-N 352.411 4.721 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccccc2F)[nH]c2c(C)cc(Cl)cc12 587624112 CYGUPFSNUKORAH-UHFFFAOYSA-N 359.784 4.682 0 1 FJAF [C-]#[N+]c1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587746123 LKJFPWMHZSUKAW-VOJFVSQTSA-N 359.242 4.937 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2nccc3ccccc23)N1 587774301 MDAZOWAPFHNXIV-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]3C=C[C@@H]2C3)N1 587818532 ILOPIXBKEZRLNQ-FYMKNAMNSA-N 350.275 4.550 0 1 FJAF COc1ccc(-c2cnc3c(OCCC(C)C)snc3c2)cc1OC 653771350 XCJBLMCWYVBSRF-UHFFFAOYSA-N 358.463 4.800 0 1 FJAF CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ncc(C(=O)O)cn1 1857612688 VYKJIHLLRUQSSY-UHFFFAOYSA-N 353.466 4.682 0 1 FJAF Cc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1N 1857653326 DRDLSFFXQYTBCZ-UHFFFAOYSA-N 363.360 4.660 0 1 FJAF COC(=O)C[C@]1(C)CC[C@]2(O1)C(C)=C(O)C[C@@H]1C(C)(C)CCC[C@]12C 2356433166 YZKVFPBCUJKGKM-RCOXNQKVSA-N 350.499 4.926 0 1 FJAF CCCNC(=O)[C@]1(C)CCCN(Cc2ccc(Oc3ccccc3)cc2)C1 61926132 TWVDHQNCTXKYDS-HSZRJFAPSA-N 366.505 4.607 0 3 FJAF CO[C@H](C)CCCCCCCCC[C@@H]1Cc2cc(O)cc(O)c2C(=O)O1 13460245 BQXYXRGHAYTBOA-CRAIPNDOSA-N 364.482 4.725 0 1 FJAF biogenic CC(C)(C)c1cc(/C=C/c2cc(CC(=O)O)on2)cc(C(C)(C)C)c1O 13819998 XZXFQRKXJWLSBZ-BQYQJAHWSA-N 357.450 4.773 0 1 FJAF C#CCSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947064 POXPTICCDZYJNK-CQIJRDABSA-N 368.542 4.744 0 1 FJAF CC(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3Cl)cn12 14961202 DSKANFBRGYWCHD-UHFFFAOYSA-N 356.788 4.967 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@@H]([C@@H]2c2nnc(-c4ccccc4)o2)N3C)cc1 26663283 MRDOIVGFARRMGI-IVAOSVALSA-N 359.473 4.779 0 1 FJAF CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2ccc(C(C)C)cc2o1 27999524 ILQUIYQQPGTRNO-SFHVURJKSA-N 352.434 4.538 0 1 FJAF CCCCCC[C@]1(C)NC(=N)NC(=N)[C@@H]1c1ccc(Cl)c(Cl)c1 45209715 IWCHSUVCEDNRLB-YOEHRIQHSA-N 355.313 4.911 0 1 FJAF CCS(=O)(=O)c1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 71329746 RRBKPISYFHWVFQ-UHFFFAOYSA-N 356.230 4.595 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(C)cc3)ncnc21 82179358 CNFLNJLMVZSTMH-HNNXBMFYSA-N 351.498 4.916 0 1 FJAF O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1Cc1ccncc1 84602872 WAFRMRHDJHIJEW-XSFVSMFZSA-N 373.843 4.565 0 1 FJAF COc1ccc(-c2ccccc2C(F)(F)F)cc1OC1CCNCC1 96175961 UZZFGKCGNFFAMH-UHFFFAOYSA-N 351.368 4.512 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(CC1CCCCC1)c1ccsc1)C2 101151940 FHNLUXLINNMPIP-DZFIZOCASA-N 362.539 4.897 0 1 FJAF CC(=O)N1N=C(c2cc3ccccc3nc2C)C[C@H]1/C=C/c1ccccc1 103273647 KMIYDPACALBFAT-DRUFCSCSSA-N 355.441 4.582 0 1 FJAF c1ccc([C@@H]2CC3(N4CCCCC4)CNCC2[C@H](c2ccccc2)C3)cc1 116203025 RDCZXFZEGOCFKG-HHLXFHKQSA-N 360.545 4.792 0 1 FJAF Cc1cccnc1-c1nc2ccc(O)c3c2c(c1C)-c1ccccc1C3=O 586988352 PSMHIZASBYLNRL-UHFFFAOYSA-N 352.393 4.831 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2ccc(Br)c(F)c2[nH]1 587013151 XTSTZBOHDKLUKU-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF COc1cc2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c2cc1OC 587033074 QSSKRNCSTXPZTI-UHFFFAOYSA-N 365.458 4.588 0 1 FJAF Cc1ccc(N(C)C(=O)OC(C)(C)C)c(-c2nc3c(Cl)ccnc3[nH]2)c1 587195463 HUOUQZGNBVAUMD-UHFFFAOYSA-N 372.856 4.958 0 1 FJAF COC(=O)Nc1ccc(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)cn1 587244824 LHPKSTATCWDUPD-UHFFFAOYSA-N 360.373 4.596 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(C(F)(F)F)c(Cl)c1)O2 587383073 VEUPGQHCNKLBEL-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(C)n1)CC2=O 587469329 CRFYFCKRBWOHNK-HXUWFJFHSA-N 362.429 4.545 0 1 FJAF O=C1C[C@@](c2ccccc2)(c2nccs2)Oc2c1ccc1c2CCCC1 587534546 CHZFGPPXPIUCEK-JOCHJYFZSA-N 361.466 4.931 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)c1F 587557661 OGCLQQLPWGONSN-KKSFZXQISA-N 368.335 4.682 0 1 FJAF Brc1ccc(-c2noc(Cc3c[nH]c4ccccc34)n2)s1 653703923 FYGBGHUMHJSUEC-UHFFFAOYSA-N 360.236 4.633 0 1 FJAF O=C1CCC[C@@H]1[C@@]1(C(F)(F)F)c2ccsc2CCN1Cc1ccco1 962708649 JIRDJCMPCPIWPW-GUYCJALGSA-N 369.408 4.526 0 1 FJAF CC(C)Nc1cc(-c2c(-c3ccccc3)nnn2Cc2ccccc2)ccn1 1857639803 SEGYXNWNGMHLAM-UHFFFAOYSA-N 369.472 4.876 0 1 FJAF CC[C@H]1CN(Cc2ccccc2)c2cc(-c3cccnc3)ccc2N1C(C)=O 1857761331 WJWVDISJAAEYCQ-QFIPXVFZSA-N 371.484 4.900 0 1 FJAF CC=C(C)C(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(C)=O)[C@@H](C)[C@]21C 2356515809 BFGZGYSBSJCPMQ-WFFFKWROSA-N 374.477 4.679 0 1 FJAF CC[C@@H]1C(C)=CC[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)O 2356648730 OGFGWQYOWINDKL-JBWOCFENSA-N 362.510 4.828 0 1 FJAF N[C@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2)n1 61903289 SHLFHGPJSLTUOV-OAHLLOKOSA-N 372.881 4.683 0 3 FJAF 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4.868 0 1 FJAF O[C@H](c1ccc(Cl)cc1)c1nnc(Nc2ccccc2Cl)s1 82078329 MFBLSYJESXFVIV-CYBMUJFWSA-N 352.246 4.670 0 1 FJAF CC(C)CN(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84688814 GOBUESNOBAYPOA-UHFFFAOYSA-N 353.853 4.678 0 1 FJAF Cc1ccc(CON/C=C/C(=O)c2cnc(-c3ccccc3)s2)cc1 98023280 YXCWLLAKBBAMRQ-VAWYXSNFSA-N 350.443 4.536 0 1 FJAF COC(=O)CC[C@H]1[C@@H]2CCC[C@@]23CC[C@@H]2CN3C[C@H](C(C)C)CC[C@@]21C 238757877 HJDGISYATUXIDQ-QLJKTGFMSA-N 361.570 4.893 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1 586881651 YAZIGISSBLJFBB-QBFSEMIESA-N 368.392 4.663 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(C)c(Cl)cc2[nH]1 586916071 JNPUMAATPJOHDS-VLIAUNLRSA-N 354.837 4.741 0 1 FJAF COc1nccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587163400 IQCPVWVWLLRNIG-KAMYIIQDSA-N 351.406 4.756 0 1 FJAF COc1ncc(F)cc1-c1nc2cc(Sc3ccccc3)ccc2[nH]1 587176553 VIATUURCQYXXNL-UHFFFAOYSA-N 351.406 4.924 0 1 FJAF CC(C)Oc1ccc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587197231 BIVFCLDYUWRNIA-QGZVFWFLSA-N 361.486 4.914 0 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YSMXDLDFBCKEKP-UHFFFAOYSA-N 371.799 4.609 0 1 FJAF Fc1cccc2c(-c3nc4cc(Cl)c(C(F)(F)F)cc4[nH]3)n[nH]c12 587175981 DKWCCNUOEXEEAK-UHFFFAOYSA-N 354.694 4.918 0 1 FJAF Cc1ccc(CCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1N 587250602 MRUCEEZHGMAEJS-UHFFFAOYSA-N 357.457 4.818 0 1 FJAF CC1(C)C[C@]2(Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)C(C)(C)O1 587353822 NPDKFUPPCMFREX-PGRDOPGGSA-N 370.420 4.607 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cnc(-c4ccccc4C)s1)[C@@H](C2)C3=O 587452639 SBUPFHPDGJMSKG-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC)c1OC(C)C)CC2=O 587487203 UXUHFEBOFBEFAH-HXUWFJFHSA-N 370.445 4.847 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc[nH]c2c1 587589779 QTFRNANZWYJKIB-DENIHFKCSA-N 357.365 4.576 0 1 FJAF CC[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600977 DKCRWXAKTPCHQE-REWPJTCUSA-N 360.409 4.745 0 1 FJAF CSC(=C[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)SC 587615607 YUFBNKMUNWFFJM-LPHOPBHVSA-N 374.483 4.680 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ncc(Cl)cn1 587855702 QLNXLVJWPIUGGD-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=N)c1ccccn1 587859283 VAYYUTZHEVUYRB-UHFFFAOYSA-N 361.232 4.524 0 1 FJAF CCC1=C[C@]2(CCC1)N[C@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188142 VPIVXPLAZDPRJB-RDJZCZTQSA-N 373.802 4.673 0 1 FJAF CC(=O)O[C@@H]1C[C@@H]2[C@](C)(CCc3ccoc3)[C@H](C)CC[C@@]2(C)[C@@H](C)C1=O 2356481481 RAWJLQOZIWQUKM-OWQJPLLCSA-N 360.494 4.812 0 1 FJAF Fc1c(Nc2ncnc3cc4c(cc23)OCCO4)ccc(Cl)c1Cl 2382221812 RAGDBHLFUMJKOB-UHFFFAOYSA-N 366.179 4.591 0 1 FJAF CCCC[C@@H](C)Oc1ccc([C@H](CO)NC(=O)[C@@H](C)c2ccccc2)cc1 2382236597 MVZOUQZBCWNDGR-FGSXEWAUSA-N 369.505 4.597 0 1 FJAF Cc1cnc(NC(=O)N2CCC[C@H](Nc3ccc(Cl)c(C)c3)C2)s1 2382250380 DMCUNSHBBRVZEX-AWEZNQCLSA-N 364.902 4.522 0 1 FJAF COc1ccc2c(c1)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)[C@@H](C(C)C)N2 96018403 FVDDMUCFJWZERA-LPTQZCDUSA-N 368.477 4.749 0 3 FJAF CS(=O)(=O)c1ccc(C2=C(c3ccc(F)cc3)c3ccccc3C2)cc1 3814578 DQLYCEYLLWWOCL-UHFFFAOYSA-N 364.441 4.744 0 1 FJAF CN1Cc2ccccc2[C@](C)(c2ccccc2)N=C1C[C@@H](O)c1ccccc1 13600313 IQMYQKPHIUDPJW-NOZRDPDXSA-N 370.496 4.918 0 1 FJAF CC(C)CC[C@]1(c2ccccc2)CC(=O)[C@@H](Sc2ccccc2)C(=O)O1 17991894 DZTDBSQBBORCIN-IFMALSPDSA-N 368.498 4.995 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3cc(O)c(Br)cc3C[C@H]1[C@@H]2C 26822655 YTONQGWHDGBSSY-IXDGSTSKSA-N 364.327 4.645 0 1 FJAF COc1cc2onc(CCC3CCN(Cc4ccccc4)CC3)c2cc1C 28459948 BLQLGEMORAKDCK-UHFFFAOYSA-N 364.489 4.990 0 1 FJAF COc1ccc([C@H]2CC(c3ccc(Cl)c(Cl)c3)=NN2C(C)=O)cc1 39932756 WIMSPGRFJUGMEL-GOSISDBHSA-N 363.244 4.700 0 1 FJAF COc1cccc2cc(CSc3nc4ccccc4s3)c(=O)oc12 40951641 MHKDWAFIBBTBNF-UHFFFAOYSA-N 355.440 4.704 0 1 FJAF O=C(O)C[C@H](Cc1nc2cc(Cl)ccc2[nH]1)c1ccc(Cl)c(F)c1 72118850 AUTJBPRXCWOAFE-JTQLQIEISA-N 367.207 4.810 0 1 FJAF Cc1n[nH]c2c1[C@H](c1ccc(N(C)C)cc1)C1=C(O)CC(C)(C)CC1=N2 101892749 HHGMTFASOODZSZ-SFHVURJKSA-N 350.466 4.634 0 1 FJAF C/C1=C/[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C/CC1 195260058 XUVXBQLHPFQADG-RDIKGWDOSA-N 358.478 4.627 0 1 FJAF O=C(c1ccccc1)c1ccc(OCCCCCC[n+]2ccccc2)cc1 261097202 FQDYFOMZHPGWIM-UHFFFAOYSA-N 360.477 4.845 0 1 FJAF COc1ccc2nc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)[nH]c2c1 299832589 JWKHKKMIWGIVDS-AWEZNQCLSA-N 351.450 4.512 0 1 FJAF O=C(CCCCCOc1ccccc1F)Nc1ccnc(C(F)(F)F)c1 299865783 OCNYDRLNKZTZNC-UHFFFAOYSA-N 370.346 4.817 0 1 FJAF Cc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F 587017717 PKHCVOSDYNIFJP-UHFFFAOYSA-N 351.406 4.736 0 1 FJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cnc(Cl)[nH]c-4n3)c21 587030298 BRKWAWFVHVFPFN-JTQLQIEISA-N 369.881 4.917 0 1 FJAF CC(=O)c1ccc2nc([C@@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2c1 587075383 ICFNDAJQNLZUKB-IBGZPJMESA-N 353.853 4.756 0 1 FJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)cc(F)c2[nH]1 587113935 OVALYNGOXKCPRX-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF Cc1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587117445 SBSUKJOWBFKWCI-UHFFFAOYSA-N 368.790 4.860 0 1 FJAF Cc1cnc(Cl)c2nc(C(=O)c3c(Cl)ccc(F)c3Cl)[nH]c12 587133325 OIAMPMSSADBLIO-UHFFFAOYSA-N 358.587 4.597 0 1 FJAF COc1ccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2n1 587139534 NROCSZFXHCBGIX-UHFFFAOYSA-N 361.376 4.642 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(C(F)(F)F)c1Cl)[C@@H](C2)C3=O 587420676 LNNCGNSHDIUQMA-APPDUMDISA-N 368.738 4.856 0 1 FJAF C[C@]1(c2cnn(C3CCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517798 VKKJLLJHHFORQJ-JOCHJYFZSA-N 350.462 4.758 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2cccc(F)c2)N1 587733183 PXKHUQHBGJRIPG-BBATYDOGSA-N 366.249 4.719 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3c2ccn3C)N1 587760624 ZKWSCTCYRXAJQE-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3[nH]2)N1 587802957 ORQZWLSPLFZWDR-MLCYQJTMSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2coc3ccccc23)N1 587828767 OWIKRQGQVBTISC-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF COc1ccc2c(c1)[C@@]1(CC(C)(C)Cc3[nH]c(C)cc31)N(C(C)C)CC2 962086868 DJDFGNSBNYPRPO-HSZRJFAPSA-N 352.522 4.814 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1ccc(-c3ccccc3)nc1)N(C)[C@@H](C)C2 962627097 KRGISSREDCMKHU-FYSMJZIKSA-N 374.484 4.732 0 1 FJAF CCC[C@H](OC)[C@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831728 HSTMDMKYHAQQMC-JTHBVZDNSA-N 364.489 4.749 0 1 FJAF c1ccc(CN=c2[nH]c3cnc(-c4ccc5ccccc5c4)cc3[nH]2)cc1 1857612311 MTCWGEQIIOWLGD-UHFFFAOYSA-N 350.425 4.812 0 1 FJAF COc1cc(OC)c2c(=O)c(-c3cccc(OCC=C(C)C)c3)coc2c1 1857764819 JJLHMOUQSWAENM-UHFFFAOYSA-N 366.413 4.822 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc4ncccc4c3)oc2c1 1911572821 VCQJUUFAUYBGTO-RUZDIDTESA-N 352.330 4.613 0 1 FJAF COc1c(Cl)c(OC(C)=O)c(Cl)c2c1CC[C@H](c1ccccc1)O2 2356283841 CTECTDAKIKVAIQ-CYBMUJFWSA-N 367.228 4.994 0 1 FJAF COc1ccc(Oc2ccc3c(-c4ccc(F)cc4)noc3n2)c(F)c1 205223678 BIAFJPGDWBROHG-UHFFFAOYSA-N 354.312 4.969 0 3 FJAF O=C(Oc1ccccc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1 3956316 MOXIYCNISXAIQV-UHFFFAOYSA-N 364.489 4.564 0 1 FJAF Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(C(C)C)cc2)c1C 13782415 URUYBJIXMGUFIG-UHFFFAOYSA-N 370.474 4.883 0 1 FJAF NC(=O)c1cc2c(Sc3ccc(C(F)(F)F)cc3)cncc2s1 13862348 VIAAOSSEVPAHGM-UHFFFAOYSA-N 354.378 4.565 0 1 FJAF Cc1cccc(CNC[C@H]2CCC[C@@H](CNCc3cccc(C)c3)C2)c1 45364866 QIBCTOUCKFDROF-PSWAGMNNSA-N 350.550 4.989 0 1 FJAF CC(C)(C)CCN1CCC[C@H](NC(=O)c2ccc(Cl)cc2Cl)C1 66124396 LJUAIJJBBDXWLJ-AWEZNQCLSA-N 357.325 4.624 0 1 FJAF C[C@@H](NCc1coc(-c2ccccc2Br)n1)c1ccccc1 72181386 WVASNWZOTASUBP-CYBMUJFWSA-N 357.251 4.955 0 1 FJAF CCc1c(C(=O)OCCc2ccc(N(C)C)cc2)[nH]c2ccc(Cl)cc12 84689575 LXLRSNKIIULUPH-UHFFFAOYSA-N 370.880 4.849 0 1 FJAF CCO[C@@H]1C[C@H](CC[C@]2(C)[C@H](C)CC[C@@]3(C)C(CO)=CCC[C@@H]32)CO1 85671055 FBKNZLADDYQBKT-FTWSKBIYSA-N 350.543 4.937 0 1 FJAF biogenic Cc1cccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3cc(C)ccc32)c1 102429978 FHNBDDZCOVNESU-KXERKJKRSA-N 372.512 4.734 0 1 FJAF N#Cc1cn(-c2ccc(C(=O)O)cc2)c2cccc(OCc3ccccc3)c12 113276050 MHKISWQOSSVIJC-UHFFFAOYSA-N 368.392 4.779 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3c(ccc(O)c3Br)C[C@@H]1[C@H]2C 195241865 DOUQADGXCVUBSK-MUKKUYKPSA-N 364.327 4.645 0 1 FJAF Nc1ccc(-c2ccc(-c3noc(Cc4c[nH]c5ccccc45)n3)o2)cc1 299827265 GARMVTJKUXLLRU-UHFFFAOYSA-N 356.385 4.651 0 1 FJAF Cc1c(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)oc2c1[C@H](O)CCC2 586905366 MXHAWRXWKXJNPO-LLVKDONJSA-N 354.303 4.659 0 1 FJAF CCOc1cc(/C=C/c2nc3c(C)nc(C)cc3[nH]2)ccc1OC(F)F 587129029 AUVSOEMIRLCJFD-SOFGYWHQSA-N 359.376 4.745 0 1 FJAF C[C@H](CSc1ccc(F)cc1)c1nc2cc(Br)cnc2[nH]1 587171106 YRESAILBSZXBMV-SECBINFHSA-N 366.259 4.755 0 1 FJAF C[C@]1([C@@H]2C[C@@H]3C=C[C@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350369 DOUSCSIGXBVLOK-WWLZYMGZSA-N 364.416 4.861 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(OC)c4ccccc14)[C@@H](C2)C3=O 587444907 XAVAKRNFIDUJBU-MBSDFSHPSA-N 360.409 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cc(Cl)c(OC)cc31)CC2=O 587458579 AGGNJPVKOOYNLH-NRFANRHFSA-N 372.848 4.814 0 1 FJAF C[C@]1(c2ncccc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587495017 BDKYCKKLHXQITJ-LJQANCHMSA-N 372.262 4.604 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)cs1 587611970 HXVWOECUPVFSKE-MAUKXSAKSA-N 358.802 4.810 0 1 FJAF Cc1cc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(C)s1 587615476 XNLWAFJFZNBUSO-NQIIRXRSSA-N 366.438 4.948 0 1 FJAF Fc1ccc2nc(COC/C=C\c3ccccc3)[nH]c2c1Br 587781908 YTHPSWVJUPQESA-DAXSKMNVSA-N 361.214 4.695 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587822563 LGSWSSGHTQAGQO-URFZZILJSA-N 374.297 4.948 0 1 FJAF Cc1nnc(N2CCCC2)c(-c2nc(-c3ccc(F)c(F)c3)cs2)c1C 587922141 JDFGIHCFTWKZFI-UHFFFAOYSA-N 372.444 4.762 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4ccc(F)c(F)c4[nH]3)c2)c1 587932880 RGEQZEIVYWKRMU-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3n[nH]cc3c2)n1 653665392 PRMAAUWWOMFHIN-HXUWFJFHSA-N 355.445 4.818 0 1 FJAF Cc1ccc([C@@]2(C[C@H](C)CC(=O)O)NCCc3c2sc(C)c3C)cc1 963025782 REPPFHYNTQAHEK-SPLOXXLWSA-N 357.519 4.564 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(CCc1ccccc1)C(C)C 963042058 ZVLRHUGFDZNNCC-DEOSSOPVSA-N 360.501 4.873 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CC[C@H](C(=O)OC)c1ccccc12 963243504 SPJDOFQTOCBRJC-VWQFJMCTSA-N 363.501 4.637 0 1 FJAF COc1cccc(-c2cn3c(-c4ccc5c(ccn5C)c4)cnc3cn2)c1F 1857595911 NYIOFQDTMZPHEY-UHFFFAOYSA-N 372.403 4.703 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@](O)(CC)C[C@H](CC)[C@@H](O)CC(=O)O 2356532290 VSFCXUJTWJIBPN-VNYTWHDVSA-N 354.531 4.708 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCO[C@@H]2O3)cc1 13609173 QIYIAVWWIGXXBQ-CTNGQTDRSA-N 353.418 4.817 0 1 FJAF CC(NC(=O)Oc1ccc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F 68573348 RZOFZTLEQPKCIP-UHFFFAOYSA-N 370.076 4.965 0 1 FJAF biogenic C=CC1=C(C(=O)NCc2ccccc2)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 73224473 PVAMLSXYCKMQTO-LJQANCHMSA-N 374.267 4.864 0 1 FJAF CCc1cc(/C=C/c2ccccc2)cc(CC)c1OC[C@@H](O)CNC(C)C 169318871 NTTBVFIBUPFHRM-OTOIZHKDSA-N 367.533 4.720 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1C[C@H]2OC 238768154 VZMATVDJEYJHLC-MCFFVMPBSA-N 360.494 4.878 0 1 FJAF FC(F)(F)c1ccccc1CSc1nnc2c(n1)[nH]c1ccccc12 299832031 JPVVNZCFHOSOPM-UHFFFAOYSA-N 360.364 4.817 0 1 FJAF Fc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2c(F)c1F 587017241 IJDDCKPMWITKSR-UHFFFAOYSA-N 373.359 4.706 0 1 FJAF CC(C)Oc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023041 IJLPHZMSCCOUPQ-UHFFFAOYSA-N 374.466 4.821 0 1 FJAF O=C(O)c1cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc2cc1F 587083644 DMVAECNJRMTIRA-UHFFFAOYSA-N 367.767 4.783 0 1 FJAF Cc1ccc2c3c(cc(CCC(C)(C)C(=O)O)nc13)-c1ccccc1C2=O 587101989 YCJMNJCJKPKYDP-UHFFFAOYSA-N 359.425 4.798 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C=C(c3ccccc3)Oc3ccccc31)O2 587409275 RERUUDNTUQSOMD-XMMPIXPASA-N 369.420 4.871 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCNc3cc(Cl)ccc31)CC2=O 587459424 DFUJZNTUGQRRGR-FQEVSTJZSA-N 357.837 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc3c(c1)CCCN3)CC2=O 587486747 TUGIDXDRZAAVSB-QFIPXVFZSA-N 351.446 4.583 0 1 FJAF CC(C)[C@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600553 OIOUGSUIQLMOLW-URXFXBBRSA-N 374.436 4.991 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccccc3)C2)N1 587819121 GRTGECJKHRAPDK-LMVFOVOHSA-N 374.297 4.970 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3o2)N1 587835068 UOBWGYRKZCBMIB-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1c(C)cccc1C 587872087 GUWLCWXDBDBIAQ-UHFFFAOYSA-N 369.465 4.950 0 1 FJAF CC(C)N1C[C@H]2CN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)C[C@@H]2C1 618017295 NDCXAZRLHFCLQK-OALUTQOASA-N 363.480 4.750 0 1 FJAF CC1=COc2ccccc2[C@@]12c1ccsc1CCN2Cc1cccn1C 962373425 LWTPKNNBHLMZKM-JOCHJYFZSA-N 362.498 4.685 0 1 FJAF O=C(C1CC1)[C@@]1(c2ccccc2F)NCCc2cc(-c3ccccc3)ccc21 962667367 NYHKDEUBMIEGMB-RUZDIDTESA-N 371.455 4.861 0 1 FJAF CC(C)c1ccc2c(c1)[C@@]1(CCO2)c2c(F)cccc2C[C@@H]2CCCN21 963112972 YCRNMDWMXTZNAD-MBSDFSHPSA-N 351.465 4.996 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(CC(C)=O)C(F)(F)Br 963238038 HJTNGLIQPSJLMW-WBMJQRKESA-N 374.269 4.505 0 1 FJAF c1ccc(O[C@@H]2COCCN(Cc3ccc(-c4ccccc4)cc3)C2)cc1 2356350182 WLUVZVKEQIMZIY-DEOSSOPVSA-N 359.469 4.633 0 1 FJAF CCCCCC=CC[C@@H]1O[C@H](C=C=CBr)C[C@H]1OC(C)=O 2356793382 KLCHFJGEHIUFMA-PCBRRKKVSA-N 357.288 4.666 0 1 FJAF CCN(CC)C(=O)c1nn(-c2ccccc2)c2c1[C@H]1CC[C@]2(C)C1(C)C 3166424 NPCBUTBQJRWYEU-ZHRRBRCNSA-N 351.494 4.529 0 1 FJAF O=c1cc(Cc2cccc3ccccc23)nc(SC2CCCCC2)[nH]1 5974980 FNYYYSZHBJDUSR-UHFFFAOYSA-N 350.487 4.939 0 1 FJAF O=C(Nc1cccnc1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 6899805 JLTDOLBNOXAAHW-UHFFFAOYSA-N 366.852 4.577 0 1 FJAF O=C(Nc1ccccn1)c1nc(-c2ccc(Cl)cc2)n2c1CCCCC2 9152926 PCOBXTZKQNUPES-UHFFFAOYSA-N 366.852 4.577 0 1 FJAF c1cncc([C@H]2CCCCN2Cc2c[nH]nc2-c2cc3ccccc3o2)c1 11663855 UPNRQPWUNVFBTH-LJQANCHMSA-N 358.445 4.945 0 1 FJAF CSc1cccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)c1 13580903 FWYWTODATDIUSD-UHFFFAOYSA-N 369.494 4.778 0 1 FJAF CC(C)OCC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610548 YFJRLGMCIGCKAF-CLWFVZRMSA-N 358.522 4.650 0 1 FJAF CC(C)S(=O)(=O)NC[C@H](Cc1ccccc1)c1ccc(C(C)(C)C)cc1 13835071 LPTJQBVVSCHMJH-FQEVSTJZSA-N 373.562 4.638 0 1 FJAF O=C1S/C(=C\c2sc(Cl)nc2Cl)C(=O)N1Cc1ccccc1 28650453 NCQSCMXQDFNABK-POHAHGRESA-N 371.270 4.686 0 1 FJAF CN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 34946592 WPDYLZPHLQWKCW-UHFFFAOYSA-N 363.301 4.635 0 1 FJAF Cc1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1 38149573 BSJRECXNWDHHRL-UHFFFAOYSA-N 357.335 4.723 0 1 FJAF Cc1ccn(Cc2c(F)cccc2F)c2nc(-c3c(F)cccc3F)nc1-2 40818606 NWTCTJLBKWEPPI-UHFFFAOYSA-N 371.337 4.963 0 1 FJAF O=C1NC(=O)[C@@H](Cc2ccc(Oc3ccc(Cl)cc3Cl)cc2)S1 45375161 FCQXSRQDBUWZDW-CQSZACIVSA-N 368.241 4.680 0 1 FJAF CC1(C)C[C@H](NC(=S)Nc2ccc(Cl)cc2)c2cc(N)ccc2O1 72176567 ABBPXIQTEGAQTC-HNNXBMFYSA-N 361.898 4.511 0 1 FJAF CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C[C@H](C(=O)O)[C@H](CC[C@@H]21)C3 100777053 ZKXLEDOCSSUHKY-RVXFQSDISA-N 362.510 4.663 0 1 FJAF endogenous,in-man CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118935087 UOFFWLNONNOOOK-BVSMIIMJSA-N 360.538 4.554 0 1 FJAF CC[C@@H](N)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1 164930418 RZGRZSXTMYGDRI-OAHLLOKOSA-N 364.470 4.834 0 1 FJAF COC(=O)[C@@H]1[C@@H]2C[C@H]3CC[C@@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 169346082 BLOLSIOUOOBUTD-VPJLHNEKSA-N 371.527 4.516 0 1 FJAF Oc1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccccc2)n1 169726287 JBPRGFOBDNXFFR-INIZCTEOSA-N 355.850 4.858 0 1 FJAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)c(F)c2)n(-c2ccccc2)n1 204750655 QZVZKUFXKQGDGX-SWLSCSKDSA-N 368.387 4.918 0 1 FJAF COc1ccc2nc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)[nH]c2c1 299832591 JWKHKKMIWGIVDS-CQSZACIVSA-N 351.450 4.512 0 1 FJAF CCC[C@@H]1CC(=O)Cc2nc3ccc(O)c4c3c(c21)-c1ccccc1C4=O 586989526 ANTYCFFWSSGXSF-GFCCVEGCSA-N 357.409 4.551 0 1 FJAF Cc1cc(Cl)cc2[nH]c(-c3cccn4c(Br)cnc34)nc12 587006534 FTWDCBFURFMEJG-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF FC(F)(c1ccccn1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 587090823 YTOCSVSGBWHASD-UHFFFAOYSA-N 351.356 4.677 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4ccccc4c3=O)nc3cccc1c23 587105757 HPDAMOXGDUDSIM-UHFFFAOYSA-N 374.399 4.955 0 1 FJAF FC(F)(F)c1cc(CCc2nc3cccnc3[nH]2)cc(C(F)(F)F)c1 587110969 LOSVXSXPNJZMEO-UHFFFAOYSA-N 359.273 4.781 0 1 FJAF Nc1cc(-c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)ccc1F 587139208 BPTZICMKLXWZMQ-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF N=C(N)c1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587163110 HLANEPCGLIWSLA-GDNBJRDFSA-N 362.433 4.636 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(F)c1Cl)CC2=O 587465640 GHJMAPWACPQQQG-OAHLLOKOSA-N 352.764 4.983 0 1 FJAF C[C@@H]1CCCN(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515583 VIWVMTAYSFADAA-IERDGZPVSA-N 355.522 4.657 0 1 FJAF Cc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587602040 IJBJDWRIQWYNHK-XUZZJYLKSA-N 372.420 4.968 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cc[nH]c3c2)N1 587804715 SAMGXVZBSRZVJN-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF CCCn1c(-n2nc(-c3cccc(F)c3)cc2OCC)nc2ccccc21 587872308 UCIWWZOTHDOGAJ-UHFFFAOYSA-N 364.424 4.837 0 1 FJAF Cc1cc(C(F)(F)F)nn1CCc1nc(-c2ccc(F)cc2)cs1 587921899 FJCIESCLFRMLJC-UHFFFAOYSA-N 355.360 4.716 0 1 FJAF CS[C@@H]1CCCC[C@]12NC1(CC1)Cc1ccc(Br)cc12 961326037 QOQKNEVINANGDY-NVXWUHKLSA-N 352.341 4.628 0 1 FJAF CC(C)c1nnsc1C[S@@](=O)C(c1ccccc1)c1ccccc1 1772613272 OVBMSRHWMYFNGO-XMMPIXPASA-N 356.516 4.700 0 1 FJAF CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccc(Cl)cc2)n1 1772614726 KTNCUFXGOMCSPT-UHFFFAOYSA-N 354.845 4.833 0 1 FJAF Cc1cc(C)cc(NC(=S)NC2C[C@@H]3CCC[C@H](C2)N3C2CCCC2)c1 4857154 MMVOFDXFPOWXGQ-VCSGRIEYSA-N 371.594 4.918 0 3 FJAF CCCCn1nc2cc(C(=O)N[C@H](C)C3CCCCC3)ccc2c1OCC 8628238 QYCKEESGTNXTQI-MRXNPFEDSA-N 371.525 4.934 0 3 FJAF CC(=O)c1ccc(Nc2nc([C@@H](N)c3ccccc3Cl)cs2)cc1 61907297 PUYPVDCZQAHFDZ-KRWDZBQOSA-N 357.866 4.791 0 3 FJAF COc1ccc(CC2=C[C@H](Cc3ccc(OC)cc3)[C@H]3CC[C@@H]2N3C)cc1 28526225 IIUCDLSWGJQFQI-IEXUWNMDSA-N 363.501 4.508 0 1 FJAF Cc1ccc([C@@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)cn1 43077091 JAKBXJLCBFHUQX-SFHVURJKSA-N 351.277 4.817 0 1 FJAF CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@@H]1c1ccc(F)cc1 53229554 PDGYHHNDLCODKQ-QGZVFWFLSA-N 351.208 4.830 0 1 FJAF Cc1ccc(-c2nc(/C=C3/C(=O)Nc4ccc(F)cc43)c3ccccn23)cc1 72107590 ILPTZZYRBADSJS-QGOAFFKASA-N 369.399 4.942 0 1 FJAF COc1ccc(-c2cc(Cn3ccnc3)c3ccc4[nH]ccc4c3n2)cc1 96286001 OXKAJZZOXOQXJH-UHFFFAOYSA-N 354.413 4.637 0 1 FJAF Cc1nc(NC2Cc3ccccc3C2)cc(-c2ccc3ncsc3c2)n1 143406634 FSXLEZUYPPXWDI-UHFFFAOYSA-N 358.470 4.641 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 299820996 RPIWNKCKNAVMOS-VGCFULBNSA-N 359.554 4.739 0 1 FJAF Cn1cc(-c2nc3ccccc3n2C(=O)c2ccccc2)c2ccccc21 473097865 CXGXVUHUGOMBIG-UHFFFAOYSA-N 351.409 4.884 0 1 FJAF Cc1cccc2nc(-c3ccccc3CS(=O)(=O)c3ccccc3)[nH]c12 586921464 ITTKSWQBWDXBAH-UHFFFAOYSA-N 362.454 4.512 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2cccc(OCc3ccccc3)c2[nH]1 587012364 ALIWATDAAGMRNW-UHFFFAOYSA-N 364.474 4.630 0 1 FJAF CCc1c([C@H](C)C(=O)OC)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096602 FIZBJESZOTVMRY-ZDUSSCGKSA-N 359.425 4.594 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(C=C(C)Oc3ccc(F)cc31)CC2=O 587471172 JFCNXQBLNSNNCQ-NRFANRHFSA-N 354.377 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(C)cc(C)c(C=O)c1C)CC2=O 587488151 ICRSGMKMTOUYOK-QHCPKHFHSA-N 366.457 4.963 0 1 FJAF COC(OC)c1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587507310 VUPSAGVBZNSNKU-IBGZPJMESA-N 370.420 4.702 0 1 FJAF COc1cc2c(c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1)O[C@H](C)C2 587534898 GTOCDCXOSLWXSU-LRTDBIEQSA-N 364.441 4.604 0 1 FJAF CC(C)[C@@]1(Cc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587600557 OIOUGSUIQLMOLW-ZJSXRUAMSA-N 374.436 4.991 0 1 FJAF Cc1cc(F)ccc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587731809 ZZXAVMMTKWTOPL-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF Cc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587820146 YIYQWWVANFUUGQ-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF Cc1coc(C)c1[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587830428 SZAKEIMRYYWQEJ-DYZYQPBXSA-N 352.247 4.596 0 1 FJAF COc1nc2ccccc2cc1/C=C/c1noc(/C=C/c2ccccc2)n1 653798249 PTSQXWIHDZRPGB-UIGAKZAYSA-N 355.397 4.967 0 1 FJAF Fc1cccc2c1c1c(n2CCCOc2ccc(Cl)cc2)CNCC1 1857620346 GLINWOKLYVNDGZ-UHFFFAOYSA-N 358.844 4.549 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@H]1Cc1ccc(O)cc1 1857633438 HZXRMIQICQMBGS-HXUWFJFHSA-N 358.437 4.611 0 1 FJAF COc1ccc(S(=O)(=O)n2ccc3cccc(-c4cccs4)c32)cc1 1857761026 IUEGEICELHQFCF-UHFFFAOYSA-N 369.467 4.615 0 1 FJAF COc1ccccc1N1CCN(CCC[C@H]2CCCc3ccccc32)CC1 13740670 HIHMWBRIJRFADD-OAQYLSRUSA-N 364.533 4.718 0 1 FJAF Cc1cc(-c2c(F)cc3/c(=N/C4CC4)ccn(C4CC4)c3c2F)cc(C)n1 27407114 WBRAPOAOVMYUAP-LGUFXXKBSA-N 365.427 4.996 0 1 FJAF CC[C@@](C)(c1ccc(O)cc1)[C@H](CCCC(=O)OC)c1ccc(O)cc1 29333311 NYMZWHJSVYSRHA-IRLDBZIGSA-N 356.462 4.893 0 1 FJAF CC(C)Oc1ccccc1OCCNCc1cccc(-c2ccco2)c1 35259211 XBTWMNHXNQEYOC-UHFFFAOYSA-N 351.446 4.902 0 1 FJAF COc1cc(OC)cc(Oc2cc(NCc3ccccc3Cl)ncn2)c1 82068284 BDQVNQLZAXJELN-UHFFFAOYSA-N 371.824 4.552 0 1 FJAF CCc1cccc([C@](SCCN)(c2ccccc2)c2cccc(O)c2)c1 95584426 LKEJFEOGGYEWTI-HSZRJFAPSA-N 363.526 4.938 0 1 FJAF in-vitro CC(C)c1ccc(-n2cc(C(=O)c3ccccc3C(F)(F)F)nn2)cc1 96270240 NHNPPAHOHUGRJU-UHFFFAOYSA-N 359.351 4.641 0 1 FJAF COc1ccc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc1OC 238761814 HSMDOSKNXLVXIP-WGOZBUGNSA-N 356.418 4.517 0 1 FJAF COc1cccc(-c2cnc3[nH]cc(-c4ccc(OC)c(OC)c4)c3c2)c1 299825623 DOJHPYAVRHNELI-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586880013 WQNWFRGACYHRKL-UHFFFAOYSA-N 355.397 4.536 0 1 FJAF Cc1ccc2c3c(c(Cc4cncc(F)c4)cnc13)-c1ccccc1C2=O 586995451 HDCTYYJVVZEVDQ-UHFFFAOYSA-N 354.384 4.880 0 1 FJAF C[C@H](c1nc2cc(Br)ncc2[nH]1)c1ccccc1C(F)(F)F 587098034 PBDVPTCOTYGXCK-QMMMGPOBSA-N 370.172 4.891 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 587112491 KQFJQIBRGHMIPX-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF Fc1cc(Br)c2[nH]c(CCc3cc(F)c(F)c(F)c3)nc2c1 587138550 LRVWYPVIQSDWSN-UHFFFAOYSA-N 373.147 4.667 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1Oc1ccccc1)[C@@H](C2)C3=O 587440657 CDABEYDTYGNHPG-FDDCHVKYSA-N 358.393 4.976 0 1 FJAF CCCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587444503 ZRNKXLCLOFNCRF-XMSQKQJNSA-N 352.430 4.537 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)cc1)CC2=O 587476562 VMKFIPXPHZYVMC-NRFANRHFSA-N 351.446 4.651 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(OC)c3[nH]1)CC2=O 587486594 RUMKZCJGZNIJGL-IBGZPJMESA-N 351.402 4.541 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3cccs3)n(C)n1)CC2=O 587494226 KCFLUKCJLJEXIK-GOSISDBHSA-N 368.458 4.513 0 1 FJAF C[C@H](COCc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524489 RLTPWSASYATVAB-OPAMFIHVSA-N 350.458 4.752 0 1 FJAF Cc1c(-c2c[nH]ccc2=N)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587628269 QIJDJBTWTHOSKH-UHFFFAOYSA-N 359.273 4.988 0 1 FJAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)cc1 587785096 LJGHMNZDEVETEB-OLZOCXBDSA-N 360.335 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1C[C@H]2C 587824612 XTPMFUGLNSUMCK-HNYWDRBLSA-N 360.270 4.558 0 1 FJAF CC[C@H](O[C@H]1CCC[C@H](C)C1)c1nc2c(F)cnc(Br)c2[nH]1 587952410 QJEAZGSNQQYQCX-NHCYSSNCSA-N 370.266 4.906 0 1 FJAF O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(C=C3CCC3)[nH]c2c1 587965798 YDIIYKAXLBEOEP-UHFFFAOYSA-N 373.865 4.584 0 1 FJAF FC(F)(F)CN1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 653704587 FUAYDGSDEDQIEE-GOSISDBHSA-N 368.830 4.609 0 1 FJAF Cc1cccc(-c2cn3c(-c4ccc(CCC(=O)O)cc4)cnc3cn2)c1C 653778419 UUSGOUUHCMIKQM-UHFFFAOYSA-N 371.440 4.697 0 1 FJAF Nc1cccc(-c2nc([C@H]3c4ccc(F)cc4C[C@@H]4CCCN43)cs2)c1 963102761 GBNRZFUCHLSBLP-FXAWDEMLSA-N 365.477 4.641 0 1 FJAF C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2c1ccc[n+]([O-])c1 1772582607 XGHSVMFGCIFTGH-PQNVCAMDSA-N 369.549 4.807 0 1 FJAF CN(C)CCCNc1c2c(nc3ccc(Cl)cc13)-c1ccccc1C2 1857584282 GYXUVERICKFWHA-UHFFFAOYSA-N 351.881 4.823 0 1 FJAF COc1ccc([C@H]2Oc3ccccc3CS2)cc1OC(=O)C(C)(C)C 2356283595 URVYWGKGORJHOM-SFHVURJKSA-N 358.459 4.971 0 1 FJAF CCOC(=O)c1[nH]c2ccc(OC)cc2c1Sc1ccc(OC)cc1 13680329 LIIZYUBYQAUCMW-UHFFFAOYSA-N 357.431 4.513 0 1 FJAF O=C1CCCN1CCOC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 13729548 IKWPZUNADYTRPJ-UHFFFAOYSA-N 364.272 4.722 0 1 FJAF CC(C)(C)c1ccc([C@@]2(c3ccc(O)cc3)C(=O)Nc3ccccc32)cc1 29545476 FQOXNRXNKIUAHM-DEOSSOPVSA-N 357.453 4.976 0 1 FJAF CC(=O)[C@@]1(OCCc2ccccc2)OC[C@H]2C=C[C@H]3C[C@@H](C)CC[C@@H]3[C@]21C 49053647 WFMHAGOWQRBMPG-QECFBVRUSA-N 368.517 4.806 0 1 FJAF Cc1cccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)c1 72182098 AJKYTGUZIOAFIF-UHFFFAOYSA-N 370.456 4.642 0 1 FJAF CC[C@H](COC(C)=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1 73224188 ZMTMWBRDDNKLQG-XMMPIXPASA-N 373.496 4.910 0 1 FJAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3ccc(F)cc3s2)C1 103183536 ZSYHAIGCLDDCRN-UHFFFAOYSA-N 366.461 4.986 0 1 FJAF CCc1nc2c(C)cc(C)nc2n1Cc1ccc(C(=O)c2ccccc2)cc1 138045788 AWQZLCBLGTVGCV-UHFFFAOYSA-N 369.468 4.890 0 1 FJAF CC(C)c1cc([C@H]2CCCN2C(=O)NCC23CC4CC(CC(C4)C2)C3)no1 473154626 JLTLUJLPOUMEAM-PQGQHUGISA-N 371.525 4.861 0 1 FJAF C[C@@H](O)c1ncc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)s1 587021931 MJGBHNWWUCKMRJ-LLVKDONJSA-N 353.472 4.891 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cncc(Br)c4[nH]3)C2)c1 587131245 AATUDTBDOBODSF-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF CC1(C)[C@@H]2CC[C@@]1(C(=O)O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587205652 AZDQGFLIRDFZGR-MYYSRTQBSA-N 369.420 4.686 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccn1)(c1cc3ccccc3o1)O2 587392980 AFIZRASPOVFEQJ-HSZRJFAPSA-N 370.408 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C[C@H]1CCOC1)(c1ccccc1)CC2=O 587491734 PKCXOOSRIBASMV-WAIKUNEKSA-N 366.457 4.632 0 1 FJAF COC(=O)CCCC[C@@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525008 OTRSGPIHZJEZJI-IVZQSRNASA-N 358.478 4.659 0 1 FJAF CCc1cc(C)cc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587604849 ZKWLYUIPKWUSDQ-NFBKMPQASA-N 360.409 4.966 0 1 FJAF CCOC(=O)c1ccc(NC(=O)c2c(C)[nH]c3cc(Cl)c(F)cc23)cc1 587631606 QKDSSMCUKUXYQM-UHFFFAOYSA-N 374.799 4.698 0 1 FJAF O=C(O)c1[nH]c2c(C(=O)O)cccc2c1-c1ccc(Cl)c(Cl)c1 587638776 PSEVQOZNBSXVQK-UHFFFAOYSA-N 350.157 4.538 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c[nH]c3ccccc23)N1 587802382 MAARZLQGJKFCRV-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCOC2CCCC2)N1 587812882 SHENOAJYBFRHRR-NHYWBVRUSA-N 356.279 4.513 0 1 FJAF CC(C)C[C@@H](C)[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922224 ITRMKOMSBYAJDQ-PUCZYUMASA-N 369.461 4.507 0 1 FJAF COc1ccccc1-c1ccc(C(=O)c2cc(F)c(F)c(O)c2F)s1 1857771740 CLIKNSSSHWQRMI-UHFFFAOYSA-N 364.344 4.778 0 1 FJAF C[C@H](CCOC=O)CC[C@@H]1C(C(=O)O)=CC[C@@H]2C(C)(C)CCC[C@]12C 2356487667 HVOITCZCMRGWKQ-NWUWZPLHSA-N 350.499 4.829 0 1 FJAF COc1cc(OC)c2c(-c3cccc(-c4cccc(N)c4)c3)cc(=O)oc2c1 13814834 MRAGZWIZZMAAIK-UHFFFAOYSA-N 373.408 4.726 0 3 FJAF aggregator COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13C=C(C(C)C)[C@@H](CC1=O)C[C@@H]32 5715503 UHJVGDFZCWFEKB-OYXXGVHCSA-N 358.522 4.944 0 1 FJAF CCc1nc(Nc2c(C)cc(C)cc2C)n2ccnc(N(CC)CC)c12 13437388 DTJRTEVICLKDAG-UHFFFAOYSA-N 351.498 4.807 0 1 FJAF Cc1nccc2c1[nH]c1cc(OCCC3(C)OCC(C)(C)CO3)ccc12 13587101 XCWOUIVZSJKBNI-UHFFFAOYSA-N 354.450 4.583 0 1 FJAF COc1ccc(C(=O)c2ccc3oc(CCN4CCC[C@H]4C)cc3c2)cc1 13606759 ZGSUVVWUSJSBAJ-MRXNPFEDSA-N 363.457 4.699 0 1 FJAF COc1c(-c2ccccc2C)c(SCCN(C)C)nc2ccccc12 26383336 OKHSRHVUJSPBQZ-UHFFFAOYSA-N 352.503 4.873 0 1 FJAF CCOC(=O)c1sc2ccccc2c1Nc1ccc(OC)cc1OC 28571821 ZMGRKMYKJCHYPE-UHFFFAOYSA-N 357.431 4.839 0 1 FJAF Cc1noc(NCc2ccncc2)c1C(=O)Nc1ccc(C(C)(C)C)cc1 28890104 YCJDQCDOTIDSLP-UHFFFAOYSA-N 364.449 4.540 0 1 FJAF COc1ccc2c(c1)CC[C@H]1[C@@H]3CCC(=C=CP(=O)(O)O)[C@@]3(C)CC[C@@H]21 31860964 PYVQTASVCPATQN-UNFPOJHESA-N 374.417 4.768 0 1 FJAF COc1ccc(COCc2ccccc2-c2cc3ccccc3c(=O)[nH]2)cc1 40875029 SDCVJQIYGYONFF-UHFFFAOYSA-N 371.436 4.921 0 1 FJAF CC(C)(C)c1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1 43079533 NFTCNPYILCTXCO-UHFFFAOYSA-N 369.530 4.852 0 1 FJAF c1ccc([C@@H]2ON=C(c3ccc(C4=NO[C@@H](c5ccccc5)O4)cc3)O2)cc1 49033702 HSFOIUZEWJQHSN-VXKWHMMOSA-N 372.380 4.501 0 1 FJAF CCCC(=O)Nc1cc(-c2ccccc2F)nc(-c2ccccc2F)n1 66103964 WNTWPGAWKVOARH-UHFFFAOYSA-N 353.372 4.827 0 1 FJAF CC(C)[C@H](C(=O)NCc1ccc(CN)cc1)c1ccc(-c2ccccc2)cc1 95581992 KZBAGUJKIHPQRQ-DEOSSOPVSA-N 372.512 4.868 0 1 FJAF COc1cc(O)c(C(C)=C(C)C)c2c1C(=O)C[C@@H](c1ccc(O)cc1)O2 103204750 RWTFCZYTBQFIQY-KRWDZBQOSA-N 354.402 4.626 0 1 FJAF COc1ccc(COc2nn(Cc3ccc(OC)cc3)c3ccccc23)cc1 103262983 GSTMDKTUYLEMNX-UHFFFAOYSA-N 374.440 4.681 0 1 FJAF NC1=NC[C@H](C23C[C@H]4C[C@@H](CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1 169325811 IUQUPAYQCWKZPU-JVDQWIMOSA-N 363.549 4.967 0 1 FJAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@H]3CC3(F)F)ncc2c1 169699924 YILWYLGYSKDOND-QGZVFWFLSA-N 356.347 4.943 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)[C@H]([C@H]1CCOC1)CCC3 586991872 QPBFOPSTZGEZIZ-KBPBESRZSA-N 371.436 4.608 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2cc(C)c(Br)cc2[nH]1 587133457 XMUKUFBRFWQRRP-UHFFFAOYSA-N 353.166 4.588 0 1 FJAF C[C@]1(c2nc3cccc(C(F)(F)F)c3[nH]2)C=C(c2ccccc2F)NO1 587157877 UZVUPOPNZKCURN-QGZVFWFLSA-N 363.314 4.512 0 1 FJAF CCCCOc1cc2nc([C@H](C(C)C)N(C)C)[nH]c2cc1Br 587198487 GPONQBUQBRUOMX-INIZCTEOSA-N 368.319 4.763 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc4c(c1)CCC4)(C(C)(C)C)[C@@H](C2)C3=O 587440585 BXHKOLVBQDRGFF-YADARESESA-N 362.469 4.873 0 1 FJAF O=C1C[C@H](c2c[nH]c3nccc(Cl)c23)Oc2c1ccc1c2CCCC1 587502271 UQIIJHIBKCVYFU-QGZVFWFLSA-N 352.821 4.802 0 1 FJAF C[C@@]1(c2ccccc2-n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516957 YHFRSOJYVGMEPW-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF COC(=O)CCCC[C@H](C)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525011 OTRSGPIHZJEZJI-OYHNWAKOSA-N 358.478 4.659 0 1 FJAF Cc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1F 587557660 OGCLQQLPWGONSN-IIBYNOLFSA-N 368.335 4.682 0 1 FJAF Cc1cc(O)cc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587833181 MCYOOOWUGGGRFL-BBATYDOGSA-N 364.258 4.534 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(C)c1cc(C)c(Cl)cc1F 963027857 ALOCHOYXASUJTD-OAQYLSRUSA-N 370.855 4.754 0 1 FJAF COc1ccc2c([C@@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)c[nH]c2c1 963088578 FSLCOXGJXJWJHD-NYHFZMIOSA-N 350.437 4.600 0 1 FJAF Fc1ccc(CC[C@@H]2CN(Cc3ncn4ccccc34)CCC2(F)F)cc1 1772602957 DGTVULHDSAZBML-QGZVFWFLSA-N 373.422 4.563 0 1 FJAF Cc1nc(-c2ccc3ccccc3c2)c(-c2ccnc(NC(=O)C3CC3)c2)[nH]1 1857535080 SOBUSVMVMWQPCA-UHFFFAOYSA-N 368.440 4.949 0 1 FJAF CC[C@@H]1CN(Cc2ccccc2)c2cc(Br)ccc2N1C(C)=O 1857755468 YRENEJOIDBVWLH-QGZVFWFLSA-N 373.294 4.601 0 1 FJAF CC(C)=CCc1ccc([C@@H]2C(=O)OC(=Cc3ccc(O)cc3)[C@@H]2C)cc1O 2356394885 INWBNVWKWLOEKI-OYHNWAKOSA-N 364.441 4.924 0 1 FJAF Cc1ccc(-c2ccc3oc(N4CCOCC4)cc(=O)c3c2)c2ccccc12 13677073 MQTFUXMLKAIJQX-UHFFFAOYSA-N 371.436 4.758 0 1 FJAF O=C(c1cccs1)[C@H]1C2CCC(CC2)N1C(=O)CCCc1ccccc1 13756415 MZQJPNBFKYQTQK-WIXQSORDSA-N 367.514 4.723 0 1 FJAF Clc1cccc2c1Oc1ccccc1[C@H]2SCCN1CCOCC1 25966610 FJBRKXRYYHUCNX-LJQANCHMSA-N 361.894 4.601 0 1 FJAF CC(C)OP(=O)(OC(C)C)C(Cl)(Cl)[P@@](=O)(O)OC(C)C 26395328 RCFAVXBYIFIDLY-UHFFFAOYSA-N 371.134 4.729 0 1 FJAF Clc1ccc2oc(N[C@@H](CN3CCSCC3)c3ccccc3)nc2c1 28016071 XHOFKWAZNYZNIK-KRWDZBQOSA-N 373.909 4.683 0 1 FJAF COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1 28522952 VPMSTXUURQETMW-UHFFFAOYSA-N 353.809 4.549 0 1 FJAF C[C@H]1[C@H]2CC[C@@H]3[C@H]4CC[C@H]5C[C@@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]23CN1C 33830697 ZUKZAQFFEBCYLE-CJQQCJHCSA-N 358.614 4.890 0 1 FJAF Brc1ccc(/C=C\c2cc[n+](Cc3ccccc3)cc2)cc1 33908838 YBSBRTBEDGFWLK-SREVYHEPSA-N 351.267 4.955 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]45CCCO5)[C@H]3CC[C@H]12 38158325 CAJALTAVRYNFRC-ACOSIKIGSA-N 359.554 4.789 0 1 FJAF CCc1c(Cc2cc(C)cc(C)c2)nc(SCc2ccccc2)[nH]c1=O 40405539 PKVWUKUQZJVCTN-UHFFFAOYSA-N 364.514 4.832 0 1 FJAF CCN1CCN(C2=Nc3ccc(Cl)cc3CC=C2c2ccccc2)CC1 40641012 DIYGMMSJHYNZKY-UHFFFAOYSA-N 365.908 4.647 0 1 FJAF CCCCN(CC)c1nc(C)nc2c1c(C)nn2-c1c(C)cc(C)cc1C 45291738 GTRLIIKGGYKIAK-UHFFFAOYSA-N 365.525 4.984 0 1 FJAF Cc1nc(-c2cnc(NCc3ccccc3F)nc2-c2ccco2)oc1C 82166186 JAYLVEBJVUSYCA-UHFFFAOYSA-N 364.380 4.760 0 1 FJAF c1ccc([C@@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cncn2)cc1 89469065 UCUUEYSGSMOFHP-NRFANRHFSA-N 367.412 4.801 0 1 FJAF CNC(=O)O[C@@H](c1cnccc1C(F)(F)F)c1cccc2ccccc12 103187479 LHBYKJQLWBNIOY-QGZVFWFLSA-N 360.335 4.699 0 1 FJAF CC[C@H](Cc1ccc(C)cc1C)NS(=O)(=O)c1c(C)cc(C)cc1C 103251343 BSSCIPHDXVAFCI-HXUWFJFHSA-N 359.535 4.528 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@H]2[C@H]3CN=C4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 169714049 IPGUXKPRPBBMKG-IBEPOWJWSA-N 357.538 4.874 0 1 FJAF Fc1ccc(Cn2cnc3c(N4CCCCC4)nc4ccccc4c32)cc1 299841201 YOHIJQATYHNFHJ-UHFFFAOYSA-N 360.436 4.762 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4nccc-4c3)nc3ccc(O)c1c23 586990038 UIFSASMXWCHMBB-UHFFFAOYSA-N 363.376 4.647 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCc1ccccc1C3 586991043 QIWGGXZEELEUTQ-UHFFFAOYSA-N 363.416 4.841 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc2c1 587076048 HSHHEYFBOMBJGU-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF Cc1cc2nc(-c3ncccc3C(F)(F)F)[nH]c2cc1Br 587109169 UKOVPHBETYHAME-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2ccc(F)c(F)c2[nH]1 587162862 KFHMFZLFJALKKQ-UHFFFAOYSA-N 352.315 4.878 0 1 FJAF Cc1cc2nc(-c3nnn(-c4ccc(F)cc4)c3C3CC3)[nH]c2cc1Cl 587167717 BLXRMDWOGNTYES-UHFFFAOYSA-N 367.815 4.789 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(Cc3c[nH]c4ccc(F)cc34)nc2c1 587174054 DVLANHKSUSTOLZ-UHFFFAOYSA-N 351.278 4.932 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCc2c1nc1cccc3c1c2CC3 587211857 ITUZMOPXCSVOHY-MJGOQNOKSA-N 364.489 4.763 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2ccc(C(C)(C)C)nc2[nH]1 587235758 RMHQHTFNONRESA-ZIAGYGMSSA-N 372.513 4.806 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCc3ccccc32)[C@H]1c1ccc(F)cc1 587351574 KENVQGKMDJTVDZ-JTHBVZDNSA-N 360.384 4.732 0 1 FJAF O=C1C[C@]2(COCc3cccc(Cl)c32)Oc2c1ccc1c2CCCC1 587497115 FNTIWHJVTALWBN-OAQYLSRUSA-N 354.833 4.610 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)cc1F 587555902 HPQKMIRWDISJSS-PXNSSMCTSA-N 372.298 4.512 0 1 FJAF C[C@H](Cc1ccccc1)[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602408 XIOFWUNTZBRZAO-WONHAXNMSA-N 374.436 4.991 0 1 FJAF COC(=O)C(=O)c1c(-c2ccccc2Cl)[nH]c2c(C)cc(Cl)cc12 587623723 MXBFBQVNRCZEIN-UHFFFAOYSA-N 362.212 4.806 0 1 FJAF Cc1cc2c(cc1C)[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818675 SFQIZSJXMNSFFC-ZUOKHONESA-N 374.297 4.929 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccsc2)N1 587851157 BASWYXNAJSBEJO-QFYYESIMSA-N 354.288 4.642 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1cc(C)nc(C)n1 587860597 YUMLAZHCQXIUPS-UHFFFAOYSA-N 363.248 4.652 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cc(O)cc(Br)c2)N1 962939620 BOZUXBIPAUVKQS-SCLBCKFNSA-N 371.278 4.650 0 1 FJAF CN(C/C=C/c1ccc(C(F)(F)F)c(F)c1)Cc1ccc2c(c1)OCO2 1857537703 OLCOSOVJXGZUOL-NSCUHMNNSA-N 367.342 4.718 0 1 FJAF CCCOc1ccc2c(c1)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@H]1CC2 1857587994 PGPLAFCWGOYIDB-NFBKMPQASA-N 350.506 4.928 0 1 FJAF Cc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1CCc1ccncc1 12511341 VHWCDDOINIMOMJ-UHFFFAOYSA-N 373.431 4.819 0 3 FJAF CCCCCCC1=NO[C@@H](c2c(F)cccc2Cl)[C@H]1C(=O)N(C)C 4310713 YEIQIXQPDOJJJZ-IRXDYDNUSA-N 354.853 4.581 0 1 FJAF COc1ccc([C@@H]2CCN(C(=O)c3cccs3)C2)cc1OC1CCCC1 13741124 RYRJQCVOJFPZTR-MRXNPFEDSA-N 371.502 4.708 0 1 FJAF O=C(COCCCCOc1ccc(-c2ccccc2)cc1)C(F)(F)F 13860578 UIWIODCFOXRAHG-UHFFFAOYSA-N 352.352 4.661 0 1 FJAF O=C(Nc1ccccc1C(=O)O)c1ccc2cc(Br)ccc2c1 14960600 KNVPXLPBRSRJCV-UHFFFAOYSA-N 370.202 4.553 0 1 FJAF in-vivo O[C@@H]1CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21 28564011 SRJZHPJMEZGLLR-HXUWFJFHSA-N 353.425 4.785 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 34315795 QOBHVCSONWIIQM-DIDJVTAESA-N 371.565 4.857 0 1 FJAF CCCCN(C)C(=O)C(=O)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 40867251 IKADQBVWALUMKR-UHFFFAOYSA-N 368.864 4.930 0 1 FJAF C=CC1=C(C(=O)NCCCCC)[C@H](c2ccc(Cl)c(Cl)c2)OC1 73390881 JJSOLJAHGWHYBA-KRWDZBQOSA-N 354.277 4.854 0 1 FJAF CC(=O)n1c2ccccc2c2cc(-c3ccc(Br)cc3)nnc21 220999986 VQUHPJYYYLPSLS-UHFFFAOYSA-N 366.218 4.674 0 1 FJAF CC(C)[C@@]1(O)CC[C@@H](C)[C@@H]2CCC(COC(=O)Cc3ccccc3)=C[C@@H]21 238731391 AXHPCMJFAOEIJI-NPWUYRIISA-N 356.506 4.542 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1[C@@H]1C[C@H]2CC[C@H]1C2 299808279 NUBAMRDDDMGSCF-NPPFBWRTSA-N 369.468 4.712 0 1 FJAF COc1ccc([C@](C)(O)c2nc(Oc3ccccc3)nc3ccccc23)cc1 299868182 RDCJPWBOFLJGBB-QHCPKHFHSA-N 372.424 4.687 0 1 FJAF Cc1cc(-c2nc3cnc(Cl)cc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586878710 JEAOPDUWHCEWKN-UHFFFAOYSA-N 363.804 4.952 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cccc(-c4ccccc4CO)c3)[nH]c2c1 586894702 BNEUIWZBAATDEX-UHFFFAOYSA-N 372.424 4.566 0 1 FJAF CCc1ccc2nc(/C=C\c3cc4c(cc3Br)OCO4)[nH]c2c1 586999349 YADWSRYRILBNSX-XQRVVYSFSA-N 371.234 4.787 0 1 FJAF Fc1cc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2cc1-n1cccn1 587023245 GNNUECFKVGZTLP-UHFFFAOYSA-N 361.405 4.678 0 1 FJAF COC(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048157 FVZIZCQNWOHEHO-WDEREUQCSA-N 361.228 4.927 0 1 FJAF Nc1ccc(-c2nc3cc(Br)c(F)cc3[nH]2)c(C(F)(F)F)c1 587095337 DUNNKOXHSRRSHM-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@]12CCc1nc3cccc4c3c(c1C2)CC4 587213337 VOSRKBKECILYDU-HSZRJFAPSA-N 364.489 4.592 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(F)c(C)c4[nH]3)c2)c1 587232382 SGUVBKVPVCDMTJ-UHFFFAOYSA-N 373.431 4.628 0 1 FJAF COc1ccc([C@@H]2CCCC[C@@]23CC(=O)c2cc(C)cc(N)c2O3)cc1F 587386660 VXZXAGWENUZPFI-KSFYIVLOSA-N 369.436 4.787 0 1 FJAF O=C1C[C@@H](c2cnn(-c3cccc(F)c3)c2)Oc2c1ccc1c2CCCC1 587504119 MVFJZYDGZCESAG-NRFANRHFSA-N 362.404 4.597 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ncccc12 587590424 ZZQHCKKUUBTFNZ-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF CC[C@@H]1Cc2ccccc2[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604466 UEYVBFIHXIZSNC-FBJLLXQBSA-N 372.420 4.832 0 1 FJAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2Cn2ccnc2)cc1 587631735 KOUXKGNKDJWLCG-UHFFFAOYSA-N 355.800 4.881 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587716956 KDMWNNNBAPBDGK-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@H](CCc1nc2ccc(-c3nc4ccccc4s3)cc2[nH]1)CC(=O)O 587963348 SXWKVXZHCGVGFB-GFCCVEGCSA-N 365.458 4.883 0 1 FJAF N[C@H]1CCc2c(Cl)cccc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962671853 XHHGKMDIKGBNBV-BJKOFHAPSA-N 374.915 4.670 0 1 FJAF Oc1ccc([C@H]2c3cccc(F)c3CCN2[C@@H]2CCSC2)c(Cl)c1 962706924 MTAFTHQZLONQJQ-CWTRNNRKSA-N 363.885 4.638 0 1 FJAF Cc1sc2c(c1C)CCN[C@H]2c1ccc(Br)c(C)c1F 963014936 WAFNFVMPGLKIGR-HNNXBMFYSA-N 354.288 4.810 0 1 FJAF COc1ccc2c([C@]3(C)c4c(F)cccc4C[C@@H]4CCCN43)c[nH]c2c1 963088583 FSLCOXGJXJWJHD-OYHNWAKOSA-N 350.437 4.600 0 1 FJAF Oc1ncccc1[C@@]1(c2ccccc2)NCCc2c(Cl)cc(Cl)cc21 963101502 BVPZZIUTCJFHIS-HXUWFJFHSA-N 371.267 4.532 0 1 FJAF CC=C(CC)C[C@@H](CC)C(=O)NC(=N)NC(=O)[C@H](CC)CC(=CC)CC 2356512392 ZSZIXCDEUHZLAH-QZTJIDSGSA-N 363.546 4.699 0 1 FJAF CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1Sc1ccccc1 13680335 WYSDVQNBXSRGCA-UHFFFAOYSA-N 357.431 4.513 0 1 FJAF COc1cc2c(c(OC)c1CC=C(C)C)[C@H]1Oc3cc(O)ccc3[C@H]1CO2 14819616 ZCGOJWAIXQAUMW-ZHRRBRCNSA-N 368.429 4.528 0 1 FJAF endogenous,in-man CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C(=O)Nc1ccccc1Cl 64637968 WGQZAJARZZQSJC-KRWDZBQOSA-N 372.852 4.645 0 1 FJAF CC(=O)OC1=CCC[C@H]2[C@@]1(C)CC[C@@H](C)[C@]21C[C@H](c2ccoc2)OC1=O 69482502 YQBLLNPEOGXFFB-TXZHMQSUSA-N 358.434 4.547 0 1 FJAF biogenic,in-vitro Cc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1 72185576 IVBZJZSGPRKJAJ-UHFFFAOYSA-N 370.456 4.642 0 1 FJAF Cc1cc2c(cc1-n1nnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C 95562016 QSRQAKVNYDAVIT-UHFFFAOYSA-N 363.461 4.776 0 1 FJAF O=C(NCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccsc1 98083116 YWGGOMUJDWPFOY-UHFFFAOYSA-N 359.454 4.531 0 1 FJAF CC1=NC(C)=C(C(=O)OC(C)C)[C@H](c2ccc(C)cc2)/C1=C(\O)OC(C)C 104086960 FITXPJYVDPNXSB-QOJBNDRUSA-N 371.477 4.973 0 1 FJAF O=C(c1ccccc1)c1cc(Cl)ccc1-n1sc2ccccc2c1=O 169327060 RVUKOMPEMSDBDZ-UHFFFAOYSA-N 365.841 4.937 0 1 FJAF CC/C=C\C[C@@H](O)/C=C/C=C\C=C\C=C\[C@@H]1O[C@H]1C/C=C\CCC(=O)O 169622231 BOFBVWROGCPAFH-ZIXRSAMDSA-N 358.478 4.507 0 1 FJAF Cc1cc(Br)cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c12 587016149 HJPNEBRCPRBHLU-LBPRGKRZSA-N 364.268 4.609 0 1 FJAF Cc1cc2nc(-c3noc(C)c3COc3ccc(Cl)cc3)[nH]c2c(C)n1 587076401 RXXGGKNAURPPKN-UHFFFAOYSA-N 368.824 4.771 0 1 FJAF C[C@@H](Oc1ccc(F)c(F)c1)c1nc2cc(Br)c(F)cc2[nH]1 587151738 VLMXJUGWPRWSMT-SSDOTTSWSA-N 371.156 4.883 0 1 FJAF Cc1nc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cs1 587376079 OMGITMJLXVAZJK-ICSRJNTNSA-N 369.417 4.571 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ncc(Cl)cc31)CC2=O 587463819 YXCLNZMVHQCRME-HXUWFJFHSA-N 357.837 4.590 0 1 FJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(COCc2ccccc2)C1 587478173 IGJAKJGQGBILST-UHFFFAOYSA-N 366.457 4.676 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(C)ccc3nc1O)CC2=O 587489494 MKLJRUNUKUGFFG-HXUWFJFHSA-N 363.413 4.613 0 1 FJAF C[C@H](c1ccc(F)cc1)[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567743 BPUAYTZHDMMSHO-JMGHSTIFSA-N 364.372 4.665 0 1 FJAF C[C@@]1([C@@H]2C[C@H]2c2ccccc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600361 AZJPXBQUWBOFDS-QNJCZANYSA-N 372.420 4.916 0 1 FJAF C[C@@H]1CC(C)(C)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587603328 MCVVNESTDHPZFC-JVJLVOBOSA-N 352.430 4.939 0 1 FJAF CC[C@]1(Cc2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609850 DUBZENULXRSEPW-WIYYLYMNSA-N 366.438 4.807 0 1 FJAF Cc1ccnc([C@]2(c3c(C)cccc3C)NCCc3ccc(F)c(C)c32)c1 962295224 CJCSCNOFGRZXFE-XMMPIXPASA-N 360.476 4.892 0 1 FJAF CC(C)c1nn(C)c(N(C)C)c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962662988 DGSWHAFSDCRQNT-QHCPKHFHSA-N 374.532 4.512 0 1 FJAF CCC[C@H](CC)C[C@@]1(c2ncco2)NCCc2c(OC)ccc(Cl)c21 963268924 BGALWPUXPBADMQ-VBKZILBWSA-N 362.901 4.942 0 1 FJAF COc1ccccc1CC[C@@]1(C2CCCC2)NCCc2ccc(O)cc21 963354374 WWQPZXSJYDIDOK-QHCPKHFHSA-N 351.490 4.565 0 1 FJAF c1ccc(Cc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1 1772581243 TTYIQLBORHNPNQ-UHFFFAOYSA-N 368.484 4.614 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(OC)c3c(c1)OCO3)O2 2356508312 UIWUAELYQAENKN-HXPMCKFVSA-N 354.402 4.703 0 1 FJAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)NC2CCCC2)cc1 773960 FHEBSVQBZUGLFY-UHFFFAOYSA-N 368.458 4.751 0 1 FJAF Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3CCCC4)c2c1 13581121 WEVQBZNODPTEIQ-UHFFFAOYSA-N 366.480 4.787 0 1 FJAF CCCCCCCCCCCCCC[C@@H](C(=O)O)[C@@H](CC(=O)O)C(=O)O 85637019 YBZIIVKQVVKTTD-IAGOWNOFSA-N 372.502 4.954 0 1 FJAF biogenic CCc1ccccc1NC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1cccs1 100423734 FXZKPMWWWRDVCA-QZTJIDSGSA-N 369.534 4.628 0 1 FJAF O=C(Nc1ccccc1)[C@@H]1C(=O)N2c3ccccc3Sc3cccc1c32 100658613 OPNFZNUANLMKDV-GOSISDBHSA-N 358.422 4.552 0 1 FJAF O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccc(F)cc2)o1 103211015 XHCKNBNVZOSKLG-UHFFFAOYSA-N 373.767 4.806 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc(Cl)c(C)c2[nH]1 586918098 WINSSBCSPGSUAM-VLIAUNLRSA-N 354.837 4.741 0 1 FJAF COc1c(F)ccc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1N 587132901 KMMIVYDUUMDBCR-UHFFFAOYSA-N 357.332 4.572 0 1 FJAF Fc1ccc(-c2nc3c(C(F)(F)F)cccc3[nH]2)nc1Br 587155787 SBNVDAIKCVFXEY-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)c(F)c(F)c2[nH]1)C1CCCC1 587223453 BSHMWJPOGPJOCW-AWEZNQCLSA-N 369.387 4.736 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccc(Br)cc1)(C1CC1)O2 587370022 ALJSVEVDDKBSGJ-LJQANCHMSA-N 372.262 4.610 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3)n1C)O2 587380414 UNTATBGAWHMCCK-FQEVSTJZSA-N 366.848 4.943 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(F)ccc3n1C)CC2=O 587473308 ZSHFRNHTQYYTDZ-HXUWFJFHSA-N 353.393 4.682 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1cccc(OC)c1)(C1CC1)CC2=O 587481228 QFAQWOYZTBWPIV-QFIPXVFZSA-N 352.430 4.624 0 1 FJAF C[C@@]1(c2c[nH]c3nccc(Cl)c23)CC(=O)c2ccc3c(c2O1)CCCC3 587498625 JLYAXUMVAJDHHO-NRFANRHFSA-N 366.848 4.976 0 1 FJAF CCOC(=O)c1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587525098 PTJBWUPOLQYRST-HSZRJFAPSA-N 364.441 4.623 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1 587565128 XJJVTPNTZQUWPC-LJQANCHMSA-N 352.438 4.553 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587951893 JONAYJYNALMITA-SYNHAJSKSA-N 359.514 4.550 0 1 FJAF CCCCCOC(=O)/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 653818494 AGDQVJZTCVKLOH-AATRIKPKSA-N 370.232 4.920 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1ccc(O)cc1 653887476 CNCIENOCRUMFQU-ACIOBRDBSA-N 356.425 4.533 0 1 FJAF CCOC(=O)CCC[C@]1(c2ccc(C)cc2)NCCc2cc(C)c(F)cc21 962295374 DFYCLSJZDCRYGZ-HSZRJFAPSA-N 369.480 4.565 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1cc(-c3ccccc3)co1)N(C)[C@H](C)C2 962619830 GTXHVMDNOWAPRD-IQMFZBJNSA-N 363.457 4.930 0 1 FJAF CC(=O)C[C@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962659370 GJBIZIYLTZIVME-RUZDIDTESA-N 355.481 4.916 0 1 FJAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(C)c(Cl)c3)C2)cc1 1772643629 OSTAGYOHNBNSMY-MGPUTAFESA-N 372.896 4.503 0 1 FJAF CN(c1nc(-c2cccnc2)nc2ccccc12)[C@H]1CCc2ccccc2C1 1857548665 VQHVGTSGQUJEJG-FQEVSTJZSA-N 366.468 4.686 0 1 FJAF Oc1nc2ccc(Cl)cc2cc1CNc1ccc(-c2csnn2)cc1 1857615104 XEMMAJMOHJYMRA-UHFFFAOYSA-N 368.849 4.724 0 1 FJAF COc1ccc(C=CC(=O)O)cc1CC=C(C)[C@H](CC=C(C)C)OC(C)=O 2356518003 BNKBJTGWXDOAKC-FQEVSTJZSA-N 372.461 4.570 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@](C)(C(=O)O)CCC[C@]4(C)[C@@H]2CC[C@H]1C3 2356572533 DPBCVQQQIVNUMJ-HCTIHVIFSA-N 362.510 4.663 0 1 FJAF CCOC(=O)c1cnc2ccc(OCC)cc2c1NC1CCCCCC1 34858122 WTZRKZLVSGREBT-UHFFFAOYSA-N 356.466 4.945 0 1 FJAF Cc1cc(N2CCCC2)cn2c(CSCCc3ccccc3)cnc12 40413946 HOFVGSQZPWTQKN-UHFFFAOYSA-N 351.519 4.719 0 1 FJAF Cc1ccc(CNc2ncc(-c3ncc(C)o3)c(-c3ccc(F)cc3)n2)o1 82164087 BIAUEZDRLDZLJF-UHFFFAOYSA-N 364.380 4.760 0 1 FJAF CN[C@H]1CCC[C@@H](c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)C1 84712078 FMQPLHSUIOCWGC-KGLIPLIRSA-N 352.507 4.912 0 1 FJAF COc1ccc([C@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc1 103268666 BGRIEJOGMWBZBP-FQEVSTJZSA-N 374.440 4.543 0 1 FJAF O=C(O)c1cc(C2CC2)ccc1Nc1cnc(-c2cc(F)ccc2F)nc1 113898725 BXJHMCWUEMJXJP-UHFFFAOYSA-N 367.355 4.741 0 1 FJAF O=S(=O)(Nc1ccc(O)cc1Cl)c1ccc(-c2ccccc2)cc1 166570550 FRRKBAFGWLALFO-UHFFFAOYSA-N 359.834 4.513 0 1 FJAF CCCCSc1nc([C@H](C)c2c(F)cccc2F)c(CC)c(=O)[nH]1 169352251 WYKNFUMAIWZRCQ-LLVKDONJSA-N 352.450 4.655 0 1 FJAF COc1ccc(Cl)c(C(=O)Nc2ccc(CN3CCCCC3)cc2)c1 205877144 ZJNVNJHOVVJNIS-UHFFFAOYSA-N 358.869 4.587 0 1 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O=C1c2ccc(O)cc2O[C@@]2(CCCc3occc32)[C@@H]1c1ccc(F)cc1 587357138 SJMWNWUGOZWEGP-IFMALSPDSA-N 364.372 4.715 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1c(Cl)ccc(F)c1Cl)[C@@H](C2)C3=O 587421970 BGMKRQXXGQSYJA-XTZNXHDOSA-N 367.203 4.804 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4O)cc1)[C@@H](C2)C3=O 587453074 XMLPIXSURLGKHF-MBSDFSHPSA-N 358.393 4.557 0 1 FJAF O=C1C[C@@H](c2ccc(O)c(C(F)(F)F)c2)Oc2c1ccc1c2CCCC1 587510823 YSXAAOYZLXWVSA-SFHVURJKSA-N 362.347 4.996 0 1 FJAF C[C@H](Cc1ccccc1)[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603225 ODRBVYWOWNXTRW-OFSQETHSSA-N 360.409 4.601 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587832187 ZHTBIOYKAHXILU-XLFHBGCDSA-N 352.247 4.596 0 1 FJAF O=C(O)c1ccc(Oc2ccc(-c3noc(-c4ccc(O)cc4)n3)cc2)cc1 653776574 SHOOGXKBNMNXEO-UHFFFAOYSA-N 374.352 4.600 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@@H]2c1cccc([C@H]2CCO2)c1 962719246 SVGDYZLGJNATAH-ZPMCFJSWSA-N 369.505 4.740 0 1 FJAF CCCCc1cc2c(=O)c(CC)c[nH]c2cc1OCCOc1ccccc1 1857572021 UMBJXYQMJMZPSI-UHFFFAOYSA-N 365.473 4.891 0 1 FJAF COc1cc([C@H]2C[C@](C)(F)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc(OC)c1OC 2382244279 VFBTVHWVACLTFT-GGBXQBQZSA-N 352.446 4.707 0 1 FJAF O[C@H](c1ccc(Cl)cc1)c1nnc(Nc2ccc(F)c(Cl)c2)s1 206023445 ZKLKLUJDOYGXMP-CYBMUJFWSA-N 370.236 4.809 0 3 FJAF C[C@]12C[C@H](c3ccc(O)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 13555406 HEGPPTNFRVOXKZ-MWIVGIEESA-N 364.485 4.709 0 1 FJAF CC(=O)Nc1ccc2nc(Nc3c(C)cccc3Cl)c3cncn3c2c1 13860312 SNMUOKBMKBBFEG-UHFFFAOYSA-N 365.824 4.546 0 1 FJAF CCCCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1ccc(C)cc1C 26393148 XJTIVCLQTFHBDG-UHFFFAOYSA-N 354.450 4.866 0 1 FJAF CN1CCN(c2cc(-c3ccc(C(C)(C)C)cc3)c3ccccc3n2)CC1 28571283 DUFUOFOUOWYGHD-UHFFFAOYSA-N 359.517 4.951 0 1 FJAF CCCOc1cc(C)c2c(c1C)C[C@H]([C@@H](C)C(=O)Nc1ccccn1)CC2 28645121 WWQBRKMNPXXKQJ-SJLPKXTDSA-N 366.505 4.867 0 1 FJAF CC[C@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 28772270 TUFQSDDYFMZWMX-SWGAWFCGSA-N 359.775 4.811 0 1 FJAF COc1ccc([C@@H]2[C@@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1 29054048 FSJVGFSWFAWCEC-DHIUTWEWSA-N 372.468 4.817 0 1 FJAF Cc1cc(Cl)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1 29481427 MXPBKVOBCGEMAO-SGFLJFKBSA-N 374.839 4.843 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34315793 QOBHVCSONWIIQM-AFIVKIBZSA-N 371.565 4.857 0 1 FJAF CC(C)Cn1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 143274356 DSZQCRPLNNDNGR-HXUWFJFHSA-N 372.390 4.985 0 1 FJAF CCc1c([C@H](C)c2c(F)cccc2F)nc(S[C@H](C)CC)[nH]c1=O 169352249 MLMDHCXMTSRTJR-GHMZBOCLSA-N 352.450 4.653 0 1 FJAF CCCCSc1nc([C@@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 169352537 YAHAIXLFRPRKPX-LBPRGKRZSA-N 352.450 4.791 0 1 FJAF Clc1c(Br)cnc2[nH]c([C@H]3C[C@]34CCc3ccccc34)nc12 586888688 XHABWULWCWOULL-DIFFPNOSSA-N 374.669 4.745 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2cc(OC(F)(F)F)c(Cl)cc2[nH]1 586961532 JUSLORAAKMGPMP-ZETCQYMHSA-N 374.775 4.758 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3ccc(Br)cc3[nH]2)s1 587015157 YXLMKOHQLDMZHL-SECBINFHSA-N 366.284 4.855 0 1 FJAF COc1cc2nc(-c3cccn3-c3ccc(Cl)cc3C)[nH]c2cc1OC 587066733 QRRJOGOUAAXTEH-UHFFFAOYSA-N 367.836 5.000 0 1 FJAF CCOc1cc(/C=C/c2nc3cc(Cl)cnc3[nH]2)ccc1OC(F)F 587130422 LZVDNNGDRLRVIM-GQCTYLIASA-N 365.767 4.782 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)C[C@H]([C@H]1CCOC1)CC3 587208950 HHQXAIGZUCVQPW-CABCVRRESA-N 355.437 4.588 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cc(Cl)c(F)c(F)c2[nH]1 587233585 SYFXRRASPMVQIF-WPRPVWTQSA-N 371.815 4.655 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(Cl)cc3)n1)O2 587380186 QOBKVOWMGVORCQ-FQEVSTJZSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1cccnc1)(c1cc3ccccc3o1)O2 587394205 DNHSHBUDEVRRMB-QHCPKHFHSA-N 370.408 4.627 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3ccccc3F)no1)CC2=O 587469144 WXLXVJLWYBUKMB-IBGZPJMESA-N 367.376 4.845 0 1 FJAF O=C1C[C@H](c2cccnc2N2CCCCC2)Oc2c1ccc1c2CCCC1 587515938 XWQQQNPNUKBMLO-OAQYLSRUSA-N 362.473 4.657 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1nccc2ccccc12 587587228 LSUFYPNPELLFSW-XXBNENTESA-N 369.376 4.643 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@@]1(C2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602303 HPXPKXVQKBWMLZ-XLIBOJQPSA-N 364.441 4.939 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2o1 587619822 ZPGWDCFVHNFFPI-SIKLNZKXSA-N 358.349 4.841 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc(O)cc2Cl)N1 587698853 VSNQQVRTSQOGTK-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF CC(C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707863 XNGJNSMPKUWOPG-AMIZOPFISA-N 354.185 4.536 0 1 FJAF CC[C@@]1(c2ccccc2F)N[C@H](C)Cc2ccc(F)c(Br)c21 587725429 DKWUNTFKAAJXPG-ZMZPIMSZSA-N 366.249 4.915 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc(C)c1O 587821558 IWGIGMXPXKDUIR-APPDUMDISA-N 364.258 4.534 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)C2(N1)[C@H]1CCC[C@H]2CN(C(C)(C)C)C1 962944244 HKYJGZZPBXGMFD-BZSNNMDCSA-N 365.565 4.818 0 1 FJAF Cc1ccc([C@@]2(c3ccc(C(C)C)cc3)NCCc3ccc(O)cc32)cn1 963342645 QYLHBCHUCMPQAQ-XMMPIXPASA-N 358.485 4.657 0 1 FJAF CC1(C)CCC[C@@]2(C)[C@H]1CC[C@H]1[C@H]2C[C@H](O)[C@@]2(C)[C@@H]3C(=CC[C@H]12)CO[C@@H]3O 2356317370 KWFVQHWNVZGEIL-ATLZHANHSA-N 374.565 4.527 0 1 FJAF COc1cccc(O[C@@]2(C)CCN(Cc3ccc(-c4ccccn4)cc3)C2)c1 61906844 CKUOMXWVTQUEIX-DEOSSOPVSA-N 374.484 4.801 0 3 FJAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 5963383 BMUVJFGCCPHXOJ-PONJGIIJSA-N 358.478 4.893 0 1 FJAF biogenic,in-man CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386034 RDPJISLOFXUIDK-SFTOWQTJSA-N 357.538 4.515 0 1 FJAF CCCCCCC(=O)Nc1cc(CO)cc(NC(=O)CCCCCC)c1 40429565 BDYVHQUHIXBHSI-UHFFFAOYSA-N 362.514 4.997 0 1 FJAF Clc1ccc2[nH]c3c(c2c1)CCN(CCc1ccc2ccccc2n1)C3 40465135 QDYHAJOTWCKLHP-UHFFFAOYSA-N 361.876 4.970 0 1 FJAF C[C@](O)(CSc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)no1 73295487 NILYCQSOTHNHKV-KRWDZBQOSA-N 364.829 4.529 0 1 FJAF COc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O 95559145 RBCTZAFVHDBCAO-UHFFFAOYSA-N 354.409 4.575 0 1 FJAF CN(C(=O)c1cc2c(s1)-c1ncccc1OCC2)c1ccccc1Cl 95584364 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NCYZZZQWUQTAQY-FXAWDEMLSA-N 352.773 4.749 0 1 FJAF COc1cc(C)ccc1OCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1 587563439 DWKIFZKSVQBOGG-UHFFFAOYSA-N 354.303 4.617 0 1 FJAF CCn1ncc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)c1C 587629043 DHFWCXKTDOCIGX-UHFFFAOYSA-N 355.747 4.600 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3c(ccn3C)c2)N1 587756791 MEWFEVHGWGQRGP-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF COC(=O)c1cccc2nc([C@H](c3ccccc3)c3ccc(OC)cc3)[nH]c12 587938649 YBIDQBFLKRQUDN-HXUWFJFHSA-N 372.424 4.538 0 1 FJAF COc1cc2oc(-c3cn4nc([C@@H](C)F)sc4n3)cc2cc1Cl 653682160 UWGGAGCONWPWLH-SSDOTTSWSA-N 351.790 4.897 0 1 FJAF COc1ccc(C(C)C)cc1[C@@H]1c2c(ccc(OC)c2OC)C[C@H](C)N1C 962640861 XDLAFPCJRVLPRO-OYHNWAKOSA-N 369.505 4.802 0 1 FJAF C[C@@H]1NO[C@H](C)[C@@H]1c1ccc2c(c1)CN(C)C[C@@H]2c1ccc2ccccc2c1 1772641210 CQTQIPQVYQLOGC-XLNKWOIBSA-N 372.512 4.813 0 1 FJAF N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2ccc(C(F)(F)F)cc12 1857604862 BUFDOEPBSSIBDH-UHFFFAOYSA-N 359.273 4.535 0 1 FJAF COc1ccc([C@@H]2c3ccc(OC)cc3O[C@@H]2c2cccc(OC)c2)cc1 1857744421 UPMSWICUWCTLQT-DHIUTWEWSA-N 362.425 4.978 0 1 FJAF CCCN1CCC(N(CCC)C(=O)Nc2cccc(C(F)(F)F)c2)CC1 1857759267 SPQBEWRIVKFIRA-UHFFFAOYSA-N 371.447 4.824 0 1 FJAF CCCCC[C@@H]1CC[C@@H]2[C@H](CC(=O)[C@@H]2CC=CCCCC(=O)OC)O1 2356437034 FCMFHXNVRJAYJM-XSYGEPLQSA-N 350.499 4.609 0 1 FJAF CCC[C@@H]1CNC(=O)C12CCN(C1(c3ccc(C)s3)CCCCC1)CC2 38147579 IBBBSENXABSARG-GOSISDBHSA-N 374.594 4.844 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccc(F)cc2)o1 82164568 SIEFWBGJJGPNIC-ZIAGYGMSSA-N 366.440 4.728 0 1 FJAF CC(C)NC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(F)(F)F)cc1 84671157 JRKVBRANZVWTGC-INIZCTEOSA-N 368.424 4.832 0 1 FJAF COc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)c(F)c1 95584107 RZCHHVDFTCOSDU-UHFFFAOYSA-N 367.489 4.818 0 1 FJAF Fc1ccc(-c2nncn2-c2ccc3nc(-c4ccccc4)oc3c2)cc1 103289229 OKZJWLDBJHXTQV-UHFFFAOYSA-N 356.360 4.882 0 1 FJAF Clc1ccc(CN2C[C@@H]2COc2cccc3cnccc23)c(Cl)c1 169328832 FAXVDFJZIAPIMJ-ADRQNKRLSA-N 359.256 4.805 0 1 FJAF CC(C)Cn1cc2c(n1)[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C2 299812470 YWKNRYHANZDVCM-SRUXOGRHSA-N 350.506 4.815 0 1 FJAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2c(N)ncnc2[nH]1 587070899 INBNRGKCWIOXEQ-DTUFIANYSA-N 374.275 4.608 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2cc(F)c(Br)cc2[nH]1 587071372 KPCZKUPMFHAGEE-UHFFFAOYSA-N 367.605 4.543 0 1 FJAF Cc1c(Cl)ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c12 587074316 RZOXNTCQJWBDFK-UHFFFAOYSA-N 372.259 4.793 0 1 FJAF Fc1c(Br)ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c12 587084740 SCFGTUXREQFNIW-UHFFFAOYSA-N 366.621 4.593 0 1 FJAF Fc1c(F)c(-c2nc3cc(Cl)cc(F)c3[nH]2)c(F)c(F)c1S 587133938 FPGIEFOVKLMRJZ-UHFFFAOYSA-N 350.699 4.868 0 1 FJAF O=Cc1ccc(-c2cc(F)ccc2-c2nc3c(Cl)nccc3[nH]2)cc1 587158948 UCHXZFMIVNFCFX-UHFFFAOYSA-N 351.768 4.897 0 1 FJAF COC(=O)c1ccc2nc(-c3ccccc3Nc3ccccc3OC)[nH]c2c1 587240879 QTXZTVLKHSQPGE-UHFFFAOYSA-N 373.412 4.769 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(-c3ccccc3)no1)CC2=O 587482567 JKNGXVWIHQVTEH-QFIPXVFZSA-N 363.413 4.880 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(OC)c3[nH]1)CC2=O 587486596 RUMKZCJGZNIJGL-LJQANCHMSA-N 351.402 4.541 0 1 FJAF O=C1C[C@@](c2ncc[nH]2)(C2CCCCC2)Oc2c1ccc1c2CCCC1 587522417 FEWKLXVQFLAVDN-QFIPXVFZSA-N 350.462 4.730 0 1 FJAF O=Cc1ccc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)o1 587534824 ZGRLVBBRMSYBSA-NRFANRHFSA-N 362.381 4.937 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]3C=C[C@H]2C3)N1 587820416 PFFSRPRHHRGPBB-JWYKHVQJSA-N 350.275 4.550 0 1 FJAF CC(C)CSC[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587841879 CJZCSLQHWSFJGU-MEDUHNTESA-N 360.336 4.727 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS[C@@H](C(C)(C)C)C2)N1 587854183 BRFCCUBFRFCIID-OMXAPOSASA-N 372.347 4.869 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587926543 IGNFEYHYRDAEQD-AWEZNQCLSA-N 353.466 4.815 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4ccc(C(C)=O)cc4[nH]3)c2)c1 587933812 VSUCXBBVXASZMS-UHFFFAOYSA-N 358.397 4.814 0 1 FJAF CC/C(=C\c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(C)cc1 587967981 QVOHVVOURLSENO-OBGWFSINSA-N 360.505 4.574 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2coc(-c3cccc(OC)c3)n2)N1 962940939 BBPFEROYDTWPAR-OYHNWAKOSA-N 373.456 4.845 0 1 FJAF CCOC(=O)CCCCC[C@]1(C2CC2)c2ccc(F)cc2C[C@H]2CCCN21 963102230 KMOVURYYBMRJQE-OFNKIYASSA-N 373.512 4.965 0 1 FJAF CCCn1c(C)cc([C@H]2c3cccc(Br)c3CCN2C)c1C 963281386 RWJHIDUJQRPVAS-LJQANCHMSA-N 361.327 4.855 0 1 FJAF COc1ccc([C@]2(c3sccc3C)NCCc3cccc(Cl)c32)cn1 963390592 LCVDOSQUEMMZHB-FQEVSTJZSA-N 370.905 4.551 0 1 FJAF O=C(O)c1cc(-c2ccc(Br)cc2)cc(-c2ccccc2)n1 1857757786 SKVJSHOZHGDDLF-UHFFFAOYSA-N 354.203 4.876 0 1 FJAF CC(C)=CCCC(C)=CCC[C@](C)(O)[C@H]1Cc2cc(C(=O)O)ccc2O1 2356533428 FEWBLKHNHHTXBA-IRLDBZIGSA-N 358.478 4.912 0 1 FJAF CC(C)=CCCC(C)=CC=C[C@]1(C)C[C@H](O)CC(C)=C1[C@H](O)CC(=O)O 2356845646 OGXRBXPEGCXCCR-WOIUINJBSA-N 362.510 4.548 0 1 FJAF O=C(NC1CCCC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 2951106 KVIJGHOCSOYHKK-UHFFFAOYSA-N 373.412 4.822 0 3 FJAF aggregator COc1cc(-c2coc3c(C(=O)NCc4ccccc4)cccc23)ccc1O 61905304 WFQMMAQRKQMWTL-UHFFFAOYSA-N 373.408 4.744 0 3 FJAF COc1ccc2c(c1)[C@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823944 GEVHBTFEMMAPPF-REWPJTCUSA-N 356.425 4.669 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CCN2CCCCC2)cc1 13780322 WIJROCGFVQGECR-UHFFFAOYSA-N 369.896 4.755 0 1 FJAF COc1ccc(NC(=O)Nc2nc(-c3ccccc3)nc3ccccc23)cc1 26284848 LEINAWGPSGPTFE-UHFFFAOYSA-N 370.412 4.949 0 1 FJAF CN(C)CCSc1nc2cc(N(C)C)ccc2cc1-c1ccccc1 26380332 CRKRSEJMWHHPTC-UHFFFAOYSA-N 351.519 4.622 0 1 FJAF c1cc(CN2CCCCC2)cc(OCCCNc2nc3ccccc3o2)c1 27527287 VIASCVHAGATDQI-UHFFFAOYSA-N 365.477 4.695 0 1 FJAF COc1ccc(CNCc2coc(-c3cccc4ccccc34)n2)c(OC)c1 72185689 BCOPLMRJQGJFSO-UHFFFAOYSA-N 374.440 4.802 0 1 FJAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2CCCCC 82186217 PBXXUDFHYNBQTN-UHFFFAOYSA-N 367.497 4.991 0 1 FJAF COc1cc2c(C)[nH]c(=O)c(Cc3ccc4ccccc4c3)c2cc1OC 169703360 GZNZXNRRUAJXKK-UHFFFAOYSA-N 359.425 4.598 0 1 FJAF CCCCCCO[C@H](C)[C@H]1[C@H](C/C=C\CCCC(=O)O)[C@H]2CC[C@H]1O2 253633140 DTSBTUSKJKTLJH-OQZOLXATSA-N 352.515 4.967 0 1 FJAF O=C1C(=O)[C@@H]([C@H]2CC[C@H](c3ccc(Cl)cc3)CC2)C(=O)c2ccccc21 261176359 UYFLKEIEOREOFC-RFUYNDQBSA-N 366.844 4.878 0 1 FJAF CCOc1cc(C=O)ccc1OCCCOc1ccc(-n2cccc2)cc1 473114321 MTJRLGIDSQSPHO-UHFFFAOYSA-N 365.429 4.536 0 1 FJAF CC(C)COc1cc2nc(C(F)(F)C(F)F)[nH]c2cc1Br 587089646 XDOYOHWBOPTAFX-UHFFFAOYSA-N 369.156 4.717 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccc(O)cc4[nH]3)c(F)c2)c(F)c1 587152530 PGKBDVUVCQEJLC-UHFFFAOYSA-N 352.340 4.889 0 1 FJAF OCCc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164481 RYDMRURPDJZTDC-ATVHPVEESA-N 364.445 4.887 0 1 FJAF Cc1ccncc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587341289 VWGUCHLTAQSZPJ-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(-c3ccc(C(=O)O)cc3)c1)O2 587407713 KHPLIWQASLLAOP-NRFANRHFSA-N 373.408 4.649 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)([C@H](C)c1ccc(OC)cc1)CC2=O 587476761 FSLURDBVTBPUKH-JLCFBVMHSA-N 354.446 4.881 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N3CCCC3)cc1)CC2=O 587478014 ZDQRPCBUMMXPKO-QHCPKHFHSA-N 365.473 4.826 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1cccc(O)c1)CC2=O 587488484 JTWCNPAAQKUNKS-DEOSSOPVSA-N 374.436 4.959 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cccnc23)N1 587777708 JCTYGMJQEOPXCU-NSPYISDASA-N 371.253 4.760 0 1 FJAF C[C@@]1(Cc2ccccc2F)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716794 WDNUPRAZSHPSKH-IIBYNOLFSA-N 359.485 4.786 0 1 FJAF Fc1cccc2c1[C@]1(CCCC[C@@H]1N1CCCCCC1)N1CCC[C@H]1C2 963113053 YZKNTCIOOVYOOJ-IEIRFRATSA-N 356.529 4.860 0 1 FJAF CC/C=C(\C=C\c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1772650348 CTUXHJXJVGZLQK-SLJZNBOJSA-N 369.461 4.810 0 1 FJAF COc1cccc(-c2ccc([C@@H](OC3CN(C#N)C3)c3ccccc3)cc2)c1 1911571153 SGFMJKFESZEQMF-DEOSSOPVSA-N 370.452 4.633 0 1 FJAF C[C@@H](Nc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Br)cc1 1911582554 HQFVNYLIKOIUEL-CYBMUJFWSA-N 373.294 4.767 0 1 FJAF CC[C@H]1[C@H](CC)Cc2cc(OC)c(O)cc2[C@H]1c1ccc(O)c(OC)c1 2356469688 XWRKSUJIWPCHLR-DHZVRSILSA-N 356.462 4.855 0 1 FJAF COc1ccc([C@@H]2c3cc(OC)c(OC)cc3C=C(C)[C@H]2C)cc1OC 14726921 GRJMIMFTPGNXIC-JLCFBVMHSA-N 354.446 4.906 0 1 FJAF biogenic c1csc(CNc2ncnc3cc(-c4ccc5c(c4)OCO5)ccc23)c1 36382593 IEKBSIKXOUYILC-UHFFFAOYSA-N 361.426 4.699 0 1 FJAF Fc1ccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc1 72184631 OTMAYBCURWDCGV-UHFFFAOYSA-N 350.315 4.789 0 1 FJAF CC(C)(C)c1cccc(Sc2ccc3nnc(-c4cncs4)n3n2)c1 95601158 KGNXSPBPKNCZMW-UHFFFAOYSA-N 367.503 4.697 0 1 FJAF Clc1cc(Cl)cc(Cn2c(CN3CCCC3)nc3ccccc32)c1 96285126 OBLLRECESBTLCK-UHFFFAOYSA-N 360.288 4.987 0 1 FJAF CC[C@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)[C@@H](C)C1 169305623 GLFWSJZORURSFC-IRXDYDNUSA-N 371.550 4.557 0 1 FJAF CC(C)NCC1CCN(c2ncnc3scc(C4CCCCC4)c23)CC1 223008962 VKUZVAMNZJYACE-UHFFFAOYSA-N 372.582 4.953 0 1 FJAF COc1cccc2nc(-c3cccc(NC(=O)c4ccc(F)cc4)c3)[nH]c12 587162386 BRMYFRLTKGVFQB-UHFFFAOYSA-N 361.376 4.630 0 1 FJAF Fc1ccc(-c2ccsc2-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587163882 MNMHJUDPMAPVES-UHFFFAOYSA-N 364.327 4.906 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)O2 587174768 SDRRAYFKZDNFCJ-CQSZACIVSA-N 354.328 4.990 0 1 FJAF COc1cc(C)c(N)c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1 587248682 FIYMITGOZWBFOB-UHFFFAOYSA-N 353.369 4.741 0 1 FJAF N[C@@H](Cc1nc2cc(Cl)c(F)c(F)c2[nH]1)c1cccc2ccccc12 587258428 BWWKHKWQCXXOBO-AWEZNQCLSA-N 357.791 4.890 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ncccc1C(F)(F)F)CC2=O 587464397 PKEPXPILJOCVDE-SFHVURJKSA-N 365.351 4.639 0 1 FJAF CCCOc1c(OC)cccc1[C@H]1CC(=O)c2ccc(O)c(CCC)c2O1 587482283 NLRTXKDSBDYTSM-HXUWFJFHSA-N 370.445 4.849 0 1 FJAF COCC[C@]1(Cc2cccc(F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587504054 MAMMSYMAEQJHFO-QHCPKHFHSA-N 368.448 4.688 0 1 FJAF Cc1cccc(-n2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587517723 SYEBTQRIXWKCOU-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559596 XTTLKENXQPRAIZ-DENIHFKCSA-N 364.372 4.717 0 1 FJAF C[C@H](c1ccc(F)cc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587567745 BPUAYTZHDMMSHO-OEVHLYDDSA-N 364.372 4.665 0 1 FJAF Cc1cc(F)ccc1[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569293 PVENIOQLDPASHT-WIYYLYMNSA-N 350.345 4.543 0 1 FJAF COc1ccc(C)cc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587811382 ZTPMSSVCGDHECG-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF Cc1ccc(C)c(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)c1 587875131 GDPVGSYAGXNTBN-UHFFFAOYSA-N 374.375 4.490 0 1 FJAF CCOc1cc(C(C)=O)c(OCC)n1-c1ccc(O)c(-c2ccccc2)c1 587927544 WECXFUUCBNZLGC-UHFFFAOYSA-N 365.429 4.850 0 1 FJAF Fc1cccc2c1[C@@H](c1ccc(OCc3ccncc3)cc1)N1CCC[C@H]1C2 963101345 REUGGFAZKSVRAR-GBXCKJPGSA-N 374.459 4.910 0 1 FJAF Cc1cc(C)c2c(N)c([S@@](=O)c3ccc(C(C)(C)C)cc3)sc2n1 4123212 JMTHDMQJJDFLCY-XMMPIXPASA-N 358.532 4.960 0 3 FJAF CC[C@H]1Cn2nc(-c3ccc(Cl)cc3Cl)c3nc(C)cc(c32)N1C 13672701 MUYIKAQALMIFDM-LBPRGKRZSA-N 361.276 4.942 0 1 FJAF COc1cc(NCCCC(C)=O)c2nccc(OCc3ccccc3)c2c1 35000894 GZDWUGDDOKONLA-UHFFFAOYSA-N 364.445 4.604 0 1 FJAF Cc1cccc([C@H](N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1 49036128 WUUOFVCLZPFLPB-IBGZPJMESA-N 360.486 4.605 0 1 FJAF OCC[C@@H](Nc1nc2ccc(-c3ccncc3)cc2s1)c1ccccc1 63298329 HOBMVEVXDIOMDM-GOSISDBHSA-N 361.470 4.894 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N[C@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132772 XEOAYELRNLQUJL-BXWFABGCSA-N 366.509 4.663 0 1 FJAF CC(C)n1cc(-c2cccc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 144858861 OKXYKTBGPQYZHZ-LJQANCHMSA-N 358.363 4.910 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc2[nH]ccc12 299856473 IVMRISUWLAMZAQ-NSHDSACASA-N 363.244 4.558 0 1 FJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(O)c1 586992691 SBQLZPUTDVWKQL-UHFFFAOYSA-N 369.376 4.533 0 1 FJAF Cc1cc2nc(Cn3nc(C(F)(F)F)cc3C3CC3)[nH]c2cc1Cl 587117185 DZMUCURJKYHQNB-UHFFFAOYSA-N 354.763 4.666 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1cc2c(cc1C3)OCO2 587208564 BVCHBAOWYFMWLG-UHFFFAOYSA-N 363.372 4.746 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(C(C)C)c(OC)cc1C)[C@@H](C2)C3=O 587442042 IDQYZINSECRJAP-JTSKRJEESA-N 352.430 4.624 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCO[C@@H](c3ccccc3)C1)CC2=O 587494104 XAVLVEKYHWXUNY-IRLDBZIGSA-N 352.430 4.600 0 1 FJAF O=C1C[C@@H](c2c[nH]nc2-c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587500456 CAAJLQBHIZHQIY-FQEVSTJZSA-N 362.404 4.801 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccccc3)C2)N1 587822840 MRRXXCQDJKLBIV-JUJQQSPASA-N 374.297 4.970 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Nc1ccc(Cl)cc1 587871450 XGLYQNOUXDDQQP-UHFFFAOYSA-N 359.788 4.822 0 1 FJAF COc1ccc2c(c1)[C@@H](c1nc(C)oc1C)N(Cc1ccc(F)cc1)CC2 963304194 SATNPWJSFROFOS-QFIPXVFZSA-N 366.436 4.587 0 1 FJAF COc1ccc(-c2ccccc2F)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772624473 SQOQXISOAHFNLD-MRXNPFEDSA-N 371.433 4.873 0 1 FJAF Cc1ccc(Nc2nc3ccc(Br)cc3c3[nH]nc(N)c23)cc1 1772637273 KLMBIKJDPAUDGO-UHFFFAOYSA-N 368.238 4.508 0 1 FJAF O=C1COc2ccc(-c3cnc4ccccc4c3)cc2N1C1CCCCC1 1857569481 JTASMHQNPIGCLV-UHFFFAOYSA-N 358.441 4.960 0 1 FJAF Cc1noc(C)c1-c1ccc(C(=O)NCCc2ccccc2)c2occc12 61905854 IYWXLBMEMRKNGY-UHFFFAOYSA-N 360.413 4.677 0 3 FJAF c1ccc(CNc2nc(N3CCc4ccccc43)nc3ccccc23)cc1 168209675 RYHBTLBXXBAGPS-UHFFFAOYSA-N 352.441 4.936 0 3 FJAF Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3C[C@H](C(F)(F)F)C[C@@H]32)cc1 14972445 CLYUNXJFERDYMU-VHWLVUOQSA-N 350.336 4.904 0 1 FJAF 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364.372 4.717 0 1 FJAF CCC[C@]1(c2cccnc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587774160 LTRYIKNAKCKAPW-KPZWWZAWSA-N 363.274 4.561 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c[nH]c3ccccc23)N1 587803428 PWGVEKHBTKKUOY-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3[nH]ccc3c2)N1 587807662 XRVHHTMKGHYCTL-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF CC(C)O[C@H]1C[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)C1(C)C 587813405 VLELGBIMFFAOBS-CDNVCLAFSA-N 370.306 4.541 0 1 FJAF CCc1ccc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587814291 GSXBAJQWOOAABC-BUXKBTBVSA-N 362.286 4.948 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](C2Cc3ccccc3C2)N1 587822371 KAZZXODVMMUACP-WLRWDXFRSA-N 360.270 4.579 0 1 FJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587934115 AZXDFSRZRCLCLU-FVMDXXJSSA-N 351.233 4.715 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2ccc(Br)nc2[nH]1 587951650 ICVSFWZUDCDHFQ-MDZLAQPJSA-N 352.276 4.767 0 1 FJAF COc1c(OCC=C(C)C)cc(O)c2c(=O)cc(-c3ccccc3)oc12 653757895 XGGOVTHLGSUXER-UHFFFAOYSA-N 352.386 4.519 0 1 FJAF CCCCOc1cccc([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c1 962625430 MHDQNUSCCMGHKZ-ZHRRBRCNSA-N 369.505 4.849 0 1 FJAF CC(=O)Oc1ccc([C@@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1 962669176 RYDIEXBCKITZDP-XMMPIXPASA-N 357.453 4.688 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CCC(=O)OCC)c1ccccc1 963221325 ADXZBFYCWAQGKJ-DVECYGJZSA-N 365.517 4.930 0 1 FJAF Cc1cccc(Oc2cc(F)cc(N3Cc4ccccc4S3(=O)=O)c2)c1 1772624755 NDVHJXNCSPCIMT-UHFFFAOYSA-N 369.417 4.635 0 1 FJAF CC(C)(CO)CCCCOc1ccc(OCCCCC(C)(C)CO)cc1 25977373 BAFICOWLMLCEOZ-UHFFFAOYSA-N 366.542 4.822 0 1 FJAF Cc1ccccc1COc1cc(O)c2c(=O)c(O)c(-c3ccccc3)oc2c1 64540827 PGXOLPWVMKRFDJ-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF Cc1cc(C)cc(Cn2cc(C(=O)Cc3ccc(Cl)cc3Cl)nn2)c1 72125715 MDTHAELNZMSCFX-UHFFFAOYSA-N 374.271 4.675 0 1 FJAF CCOc1ccccc1-c1nc(CN[C@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)co1 72185217 KYNKDMSWNOGRRG-OHQAAIJDSA-N 354.494 4.901 0 1 FJAF CCC(CC)c1cc(C)n2nc(-c3ccc(OC)cc3Cl)n(C)c(=O)c12 73163983 NFJHXOLDAZHWHG-UHFFFAOYSA-N 373.884 4.574 0 1 FJAF Cc1cnc(-c2cnc(NCCOc3ccccc3)nc2-c2ccccc2)o1 82162753 YNZDDHNNQOLNDS-UHFFFAOYSA-N 372.428 4.598 0 1 FJAF CC[C@@](C)(CCO[C@@H](CO)COC(=O)C[C@@](C)(CC)C(C)C)C(C)C 87723346 BGFPMEIULZPARM-SESVDKBCSA-N 358.563 4.832 0 1 FJAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@H]1c1cccc(Cl)c1 103079516 XNVRJZOGHHBUMT-IBGZPJMESA-N 353.849 4.900 0 1 FJAF NC(=O)c1cc(-c2ccccc2)sc1Nc1cccc(C(F)(F)F)n1 141673102 KRUHDWCIWRXWRL-UHFFFAOYSA-N 363.364 4.671 0 1 FJAF c1cncc(CCNc2ccc3ncc(-c4cc5ccccc5s4)n3n2)c1 146051580 FHTDHDFIXMDGBB-UHFFFAOYSA-N 371.469 4.661 0 1 FJAF COc1ccc(Cl)c(C(=O)Nc2ccc(CCN3CCCCC3)cc2)c1 205042231 CDBSTAIZJCRCNO-UHFFFAOYSA-N 372.896 4.629 0 1 FJAF COc1ccc(OC)c(-c2coc3c4c(ccc3c2=O)OC(C)(C)C=C4)c1 299840739 ZHQPSUSDWSDFGK-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF OCc1ccc(-c2nc3cc(Br)c(C(F)(F)F)cc3[nH]2)cc1 586895754 XDFHTEKRZVCXPH-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(C(F)(F)F)ncc4[nH]3)cs2)o1 587016773 NPSYNQDLLVLSNN-UHFFFAOYSA-N 350.325 4.669 0 1 FJAF CCOC(=O)c1ccc2nc([C@H](CC)Oc3ccccc3Cl)[nH]c2c1 587062970 YNINVWLBHNODQL-INIZCTEOSA-N 358.825 4.923 0 1 FJAF Oc1cccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c12 587110054 MEHCKKLQSGLKSI-UHFFFAOYSA-N 360.257 4.897 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2c(C)nccc2[nH]1 587121415 BSUJUTBLDHDCQF-UHFFFAOYSA-N 358.323 4.689 0 1 FJAF C[C@@]1(CCC(F)(F)F)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587334802 ZBCZUSLYNCLUGB-AEFFLSMTSA-N 368.326 4.991 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CC(C)(C)Cc4cc(C)cc(C)c41)[C@@H](C2)C3=O 587446760 FIYAMZCGHHBTOR-MHECFPHRSA-N 362.469 4.927 0 1 FJAF C[C@]1([C@@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600303 ALMVQCIJOIZAQT-OXVZUAPVSA-N 350.414 4.549 0 1 FJAF COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2ccc(F)c(Cl)c12 587629291 IUVNFZYGYSFRCS-UHFFFAOYSA-N 353.727 4.616 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1[C@H]1COCCN1C(=O)OC(C)(C)C 587631908 LVOGQZOHFMBHMO-CYBMUJFWSA-N 368.836 4.577 0 1 FJAF COc1cccc(-c2[nH]c3cc(F)ccc3c2C(=O)C(F)(F)Cl)c1 587633930 OTANPYQUNVQXGO-UHFFFAOYSA-N 353.727 4.997 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3cnccc3c2)N1 587779329 QYPSYJPHIUUJQY-JEOXALJRSA-N 371.253 4.760 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cc(C)cc(C)c1 587862340 KTFVYZOXIXPLOI-UHFFFAOYSA-N 374.362 4.883 0 1 FJAF CC(C)(C)[C@@]1(c2ccc(Cl)c(F)c2)NCCc2c(C(=O)O)cccc21 963136567 ZODONFSOZYCELQ-FQEVSTJZSA-N 361.844 4.613 0 1 FJAF Cn1cnc(CCCO[C@@H](c2ccccc2)c2nc3ccccc3s2)c1 1772649715 TVZWDLHGMNDWBS-FQEVSTJZSA-N 363.486 4.769 0 1 FJAF CN(C/C=C/c1ccccc1C(F)(F)F)Cc1ccc2c(c1)OCCO2 1857537843 JFLDGOGMWOPCBQ-GQCTYLIASA-N 363.379 4.622 0 1 FJAF COc1ccc(Nc2ncc3c(n2)-c2ccccc2SC3)cc1OC 1857650874 COSLTNSLCMOPGO-UHFFFAOYSA-N 351.431 4.510 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(OC(=O)CC(=O)O)CCC[C@@]21C 2356396561 OKHGAAQNADNSGY-NYVOZVTQSA-N 358.478 4.591 0 1 FJAF CCN(CC)C(=O)c1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 13765499 KJWHSGYXODJKPL-UHFFFAOYSA-N 362.260 4.790 0 1 FJAF CC(C)(C)c1ccc(-c2ccnc(Nc3ccc4c(c3)OCCO4)n2)cc1 14974027 CCSHHOSWJAFQQA-UHFFFAOYSA-N 361.445 4.956 0 1 FJAF C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3[C@@H](CCCN3CCCC(C)(C)C3)[C@@H]12 28001463 KEEHNWJFNGQLMW-AUYGFBLUSA-N 361.570 4.893 0 1 FJAF CC(C)Cc1ccc(N2CC[C@@H](Oc3cccc4ccc(N)nc34)C2)cc1 28390068 UHSGLDYWKWJJLG-HXUWFJFHSA-N 361.489 4.673 0 1 FJAF CSc1sc(C(=N)N)cc1-c1nc(-c2ccnc(Cl)c2)cs1 28770573 QGSDCVGMOUWGJT-UHFFFAOYSA-N 366.924 4.593 0 1 FJAF C/C=C/[C@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@@H](C)CCC[C@@H]12 29220204 ZAWHOLMDNIHGEJ-FDATYNEUSA-N 351.446 4.610 0 1 FJAF COc1cccc(NC(=O)C[C@@]2(c3ccccc3)CCOC(C)(C)C2)c1 72107980 IVMPGORTJRSJER-QFIPXVFZSA-N 353.462 4.551 0 1 FJAF O=C1Nc2ccc(F)cc2/C1=C\c1nc(-c2ccccc2F)n2ccccc12 72109732 LKPFVSLCDVMERO-FOWTUZBSSA-N 373.362 4.772 0 1 FJAF Nc1ccccc1Cn1cncc1CNc1ccc(F)c(-c2ccccc2)c1 96940272 QVDOBOLRQLKXPR-UHFFFAOYSA-N 372.447 4.932 0 1 FJAF COc1cc(OC)c2c(c1CC=C(C)C)O[C@H](c1ccc(O)cc1)CC2=O 103204075 RBOKUKGXDGEEQC-SFHVURJKSA-N 368.429 4.625 0 1 FJAF N#Cc1cn(-c2ccc(C(=O)O)cc2)c2ccc(OCc3cccs3)cc12 113276264 YXFWLSVWSAXUJP-UHFFFAOYSA-N 374.421 4.841 0 1 FJAF FC(F)(F)c1ccc(CN2C[C@@H]2COc2cccc3cnccc23)cc1 169328834 AYKSPCUGCZMKGI-SMFUYQKNSA-N 358.363 4.517 0 1 FJAF CC[C@H]1C(C)=CC[C@@H]2[C@H]1[C@@H](OC(C)=O)C[C@H]1[C@](C)(C(=O)O)CCC[C@]21C 238783006 OGFGWQYOWINDKL-SUOCVSLLSA-N 362.510 4.828 0 1 FJAF Cc1cc(NCc2ccc(Cl)cc2Cl)c2cccc(C(N)=O)c2n1 473090241 NITLQKCEJDSWEQ-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF O=Cc1ccc(OCc2occc2-c2nc3cc(F)c(F)c(F)c3[nH]2)cc1 586900791 MVLYBYOXCJHUOW-UHFFFAOYSA-N 372.302 4.632 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 586960388 BNJXVSKTOICSHB-QMMMGPOBSA-N 356.398 4.818 0 1 FJAF COc1cc(/C=C\c2nc3c(C)nc(C)cc3[nH]2)ccc1Br 586977936 WBOIVTIJFCNMMF-ALCCZGGFSA-N 358.239 4.516 0 1 FJAF C[C@H]1CCc2sc(-c3nc4c(Br)ncc(F)c4[nH]3)cc2C1 587033122 DGGNIWZEELITQH-ZETCQYMHSA-N 366.259 4.713 0 1 FJAF Cc1c(-c2nc3cnc4ccccc4c3[nH]2)cnn1-c1ccc(Cl)cc1 587075564 IELRTGICUBTLOU-UHFFFAOYSA-N 359.820 4.926 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C)C[C@@H](C(=O)O)C4)-c1ccccc1C2=O 587100563 CXZXPKROAHIXKT-CHWSQXEVSA-N 357.409 4.505 0 1 FJAF FC(F)(F)Oc1ccc2c(-c3nc4cc(Cl)ccc4[nH]3)n[nH]c2c1 587127600 YZFSDTZONLSZCD-UHFFFAOYSA-N 352.703 4.658 0 1 FJAF COc1ccc(-c2cccc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)c2)cc1 587403775 QSWBWDJXSXFDDI-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1cccc(C)c1)[C@@H](C2)C3=O 587445153 INMWYKVDNIEMKK-GBXCKJPGSA-N 356.421 4.695 0 1 FJAF Cc1c(-c2ccc(F)cc2O)[nH]c2c1c(Br)cc1n[nH]cc12 587622484 NTXJNCSYJVTSJM-UHFFFAOYSA-N 360.186 4.627 0 1 FJAF CS[C@@H]1CCCC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587847355 WPEJMJGWNOMTBT-AMKSKSKJSA-N 358.320 4.623 0 1 FJAF CC(C)COc1ccc(CC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874108 UPZWRLYFNZPWOS-UHFFFAOYSA-N 366.392 4.713 0 1 FJAF CN(C)CCN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772600038 GZPUUYIIMZZMKO-UHFFFAOYSA-N 371.695 4.855 0 1 FJAF Fc1ccc2nc(Cc3c[nH]c4c(F)cccc34)n(Cc3cccnc3)c2c1 2382247831 MJWASXCSDRXANR-UHFFFAOYSA-N 374.394 4.830 0 1 FJAF c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1 13559982 IKQBVJXRVSTRPN-UHFFFAOYSA-N 358.426 4.585 0 1 FJAF O=C1[C@@H]2CCCC[C@@H]2C(c2cccc(Cl)c2)=NN1Cc1ccccc1 13863449 HPBQZWUNIXOGTG-RBUKOAKNSA-N 352.865 4.893 0 1 FJAF CCCC/C(C)=C\C=C\[C@H]1CCC(=O)N1CCc1ccc(C(=O)O)cc1 28951577 SJKJSDLRYXXUDS-TXTRBURLSA-N 355.478 4.611 0 1 FJAF CC(=O)OC/C1=C2\C(=O)O[C@H](C/C(C)=C\CC1)[C@H]2[C@@H](C)CCC=C(C)C 33955810 AGPUEDODDFNEDE-POJPRBGQSA-N 360.494 4.900 0 1 FJAF CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@]4(F)C[C@H](F)CC[C@]4(C)[C@H]3CC[C@]12C 40894988 OSWQWBXNZWSONW-ADGKCSTMSA-N 368.464 4.570 0 1 FJAF CCc1cccc(C(=O)N(CC)c2ccnc(N[C@@H](C)c3ccccc3)n2)c1 49069266 KILDPOAUKNGBJP-KRWDZBQOSA-N 374.488 4.879 0 1 FJAF C[C@](O)(c1ccc(F)cc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1 49126212 AZRXVMYLZOAQMU-NRFANRHFSA-N 350.368 4.560 0 1 FJAF O[C@@H](c1ccccc1)c1nnc(Nc2cc(C(F)(F)F)ccc2F)s1 82078510 RCVKSAHSJOBOGB-ZDUSSCGKSA-N 369.343 4.521 0 1 FJAF CCCCCn1c(CC(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184533 DNGYARPSZUISOM-UHFFFAOYSA-N 369.488 4.966 0 1 FJAF CC(C)Nc1nc(NCCCN(C)C)c2sc(-c3ccccc3)cc2n1 103263050 HDDVTCWANKHVSB-UHFFFAOYSA-N 369.538 4.542 0 1 FJAF Oc1cccc(Nc2ccnc3[nH]c4ccc(Br)cc4c23)c1 103297578 LJADPSQLSXMRRG-UHFFFAOYSA-N 354.207 4.928 0 1 FJAF Oc1ccc2c(c1)[C@@]1(c3ccccc3)CCN(CCc3ccccc3)[C@@H](C2)C1 169314627 KJZXLVAUKMUMLR-OZXSUGGESA-N 369.508 4.942 0 1 FJAF C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](NC=O)CC[C@]4(C)[C@@H]3CC[C@]12C)N(C)C 255287699 ZROQUMPZTDXHBC-SFLXVXIKSA-N 374.613 4.710 0 1 FJAF CCn1c2cnccc2c2ccc(C(=O)N[C@H](C)c3cccc(OC)c3)cc21 473135748 KHDTWGHINMBUJH-OAHLLOKOSA-N 373.456 4.709 0 1 FJAF Fc1c(Br)ccc2nc([C@H]3C[C@@]34CCc3ccccc34)[nH]c12 586886361 FXLWKLZGIKDDSP-KZULUSFZSA-N 357.226 4.836 0 1 FJAF Cc1c(O)ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1O 586992360 VVELEXCSCNHSBT-UHFFFAOYSA-N 369.376 4.538 0 1 FJAF Fc1cc2[nH]c([C@@H]3SCCc4sccc43)nc2cc1Br 587036479 CNSOXWDDNFFQBW-CYBMUJFWSA-N 369.284 4.905 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@@H]1OC(C)(C)O[C@@H]1C4)-c1ccccc1C2=O 587103651 ZPYPVHPNRHCDSS-OPAMFIHVSA-N 357.409 4.503 0 1 FJAF COc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(OC)n1 587107240 PYKWRBMGLJXZSZ-UHFFFAOYSA-N 368.392 4.525 0 1 FJAF COc1cc2nc(-c3cc(Cl)c(Br)cc3F)[nH]c2cc1F 587136494 JFOKKBZGFUTKMT-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF Cc1ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587192633 XLPRPLOJNBBHNB-GOSISDBHSA-N 351.450 4.828 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]1SCCS[C@H]1C3 587207138 BWFKYNKKEONQJG-KKSFZXQISA-N 361.491 4.892 0 1 FJAF O=C1c2ccc(O)cc2O[C@](CF)(c2ccccc2)[C@H]1c1ccc(F)cc1 587334166 XOMBFXQYQUPSHT-RBBKRZOGSA-N 366.363 4.755 0 1 FJAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1F)(C1CC1)[C@@H](C2)C3=O 587426180 MGHSJENEISZVKJ-XOBRGWDASA-N 358.796 4.541 0 1 FJAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1C 587656777 NXZPKELEUSESPZ-UHFFFAOYSA-N 362.379 4.948 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587717347 FWDTYJIHIJHZLL-WNWIJWBNSA-N 370.212 4.798 0 1 FJAF COc1cccc([C@H](C)Cc2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)c1 587930469 INQXIEKJSZXMRY-CQSZACIVSA-N 372.472 4.749 0 1 FJAF Cc1cc([C@@]2(C)c3cccc(F)c3CCN2[C@H]2CCSC2)cc(C)c1O 962715920 PRZPBZBNWWSJLD-JTSKRJEESA-N 371.521 4.775 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cccc(OCC(C)C)c1 963056747 MLEDIVKJIYCRIM-JOCHJYFZSA-N 362.473 4.513 0 1 FJAF Nc1cccc(-c2nc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)cs2)c1 963102777 GBNRZFUCHLSBLP-YLJYHZDGSA-N 365.477 4.641 0 1 FJAF CC(C)CC(=O)OCC=CCCNC(=O)C=CC=CC=Cc1cccs1 2356402913 UXKHBPOYZOPFIH-UHFFFAOYSA-N 373.518 4.526 0 1 FJAF CC(C)C[C@H](N[C@H](c1cc(Cl)cc(Cl)c1)C(F)(F)F)C(=O)O 2382253503 AEMSIGHGSFJCRJ-NWDGAFQWSA-N 358.187 4.686 0 1 FJAF c1ccc2c(c1)CN1C(=N2)COc2ccccc2[C@@H]1c1nc2ccccc2[nH]1 95598814 WHFKXZRNKKWHTJ-JOCHJYFZSA-N 366.424 4.591 0 3 FJAF Cc1nnc2c3c(-c4ccccc4)c(-c4ccccc4)oc3nc(N(C)C)n12 1650424 LTVYECPXBFJLFD-UHFFFAOYSA-N 369.428 4.579 0 1 FJAF O[C@H]1CCc2cc(-c3[nH]c(-c4ccccc4)nc3-c3ccncc3)ccc21 28564013 SRJZHPJMEZGLLR-FQEVSTJZSA-N 353.425 4.785 0 1 FJAF CN(C)CC[C@H](NC(=O)/C=C/c1ccccc1)c1ccc2ccccc2c1 28654056 TWEHNYKGYPOPRW-UXZSZYKQSA-N 358.485 4.662 0 1 FJAF O=c1ccc2cc3ccoc3c(OCCCCOc3ccccc3)c2o1 43065201 FIJVWSMVTCDFJN-UHFFFAOYSA-N 350.370 4.777 0 1 FJAF C=CC1=C(C(=O)NCCCCC)[C@@H](c2ccc(Cl)c(Cl)c2)OC1 73390876 JJSOLJAHGWHYBA-QGZVFWFLSA-N 354.277 4.854 0 1 FJAF FC(F)(F)c1ccc(-c2cc(NCc3ccc4c(c3)OCO4)ncn2)cc1 82161907 FVMVPVJGRNPEIY-UHFFFAOYSA-N 373.334 4.503 0 1 FJAF CN1[C@@H]2CC[C@@H]1CC(OC(=O)N(CC1CCCCC1)c1ccsc1)C2 101151951 FHNLUXLINNMPIP-IAGOWNOFSA-N 362.539 4.897 0 1 FJAF Cc1cccc(-c2cc3n(C)c(=O)c4ccc(-c5ccccc5)cc4n3n2)c1 169350941 FVSDYGNIKYHISS-UHFFFAOYSA-N 365.436 4.829 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(CO)CCC4)cc3)cc12 205302970 OSNPJCNKGDNYRY-UHFFFAOYSA-N 355.821 4.601 0 1 FJAF COc1cccc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4)c(C)c3)nc12 586878812 DYBPEXHXGYDWNU-UHFFFAOYSA-N 358.397 4.912 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)cc1 586880394 MSJKECUCQHMCFZ-UHFFFAOYSA-N 356.381 4.828 0 1 FJAF CCN(CC)[C@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988723 ORAJDMGIMWOKPY-SFHVURJKSA-N 372.468 4.871 0 1 FJAF COc1cc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2cc1OC 587066755 RFHYCBXETBJLDI-UHFFFAOYSA-N 360.841 4.554 0 1 FJAF CC(C)n1ncc2c1CCc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587104797 JISJGJZSCCTBIH-UHFFFAOYSA-N 365.436 4.989 0 1 FJAF Fc1ccccc1CCc1nc2cc(Br)cc(Cl)c2[nH]1 587148791 HIFAAQJVRYRJEI-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC=C(C)C 587401246 UUTWNCTVSRHOFD-FQEVSTJZSA-N 367.445 4.637 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccc4OC)c1)[C@@H](C2)C3=O 587443221 POFOUTOACFKKMJ-YADARESESA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC)c(OC)c1)CC2=O 587495070 ZQDIOBDTANCCAC-KRWDZBQOSA-N 358.459 4.782 0 1 FJAF CC(C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587614097 RANJVEADFJWDQY-GHTZIAJQSA-N 366.438 4.967 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1cccs1)C1CC1 587616036 YRPAUKSECGILOL-RXVVDRJESA-N 364.422 4.721 0 1 FJAF COc1ccc(C[C@H](C)c2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC 587925131 AUAQLZYCNKOTKZ-NSHDSACASA-N 364.367 4.945 0 1 FJAF COc1ccccc1CC[C@@]1(c2ccccc2C)NCCc2c(C)ccnc21 963072540 MJJHICGRHVMSQO-VWLOTQADSA-N 372.512 4.729 0 1 FJAF O=C(O)c1cc(NCc2ccc(OCc3ccc(F)cc3)cc2)ccc1F 1857575510 KCVLTOIVFQOUNB-UHFFFAOYSA-N 369.367 4.854 0 1 FJAF CCc1ccccc1Nc1ncc(-c2sc(NC(C)=O)nc2C)s1 1857584144 UBPDOZFRRFGWDD-UHFFFAOYSA-N 358.492 4.839 0 1 FJAF C/C=C/C[C@H](C)C[C@H](C)C(=O)c1c(O)ncc(-c2ccc(O)cc2)c1O 2382250879 HLYMRXUSGGFLEA-CTXXGXLOSA-N 355.434 4.677 0 1 FJAF CCSc1cc(N2C[C@@H](C)O[C@H](C)C2)nc(-c2ccccc2Cl)n1 631235 RWIWHLCQBPJWNF-CHWSQXEVSA-N 363.914 4.523 0 3 FJAF CCOC(=O)C1(c2ccccc2)CCN(CCCCc2ccccc2)CC1 29316523 RSFKQMBOUGOWIV-UHFFFAOYSA-N 365.517 4.606 0 1 FJAF CC(C)(C)C(=O)CC1=Nc2ccccc2S[C@]1(O)CC(=O)C(C)(C)C 102961007 DPOBZBFEZWWIMT-HXUWFJFHSA-N 361.507 4.564 0 1 FJAF CC(=O)N1C[C@@]2(CCCN(Cc3ccc(Cl)cc3)C2)Cc2ccccc21 299851732 JCXGJXDRSXUUPP-QFIPXVFZSA-N 368.908 4.531 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cc(CN5CCOCC5)ccc4[nH]3)cc2)o1 586904734 AGEPKIRDHCSTNN-UHFFFAOYSA-N 373.456 4.631 0 1 FJAF Cc1c(-c2nc3c(C)c(Br)ccc3[nH]2)oc2c1[C@H](O)CCC2 586905491 QVFVVJLFPCONEM-GFCCVEGCSA-N 361.239 4.572 0 1 FJAF Nc1cc(F)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988327 JUAZPXOJTXUQRZ-UHFFFAOYSA-N 356.356 4.540 0 1 FJAF Cc1cc2c(Br)ccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2o1 587003514 KMGKASVLLPIDHW-UHFFFAOYSA-N 367.206 4.923 0 1 FJAF O=C(Nc1nc(Cc2nc3ccc(Cl)cc3[nH]2)cs1)c1cccs1 587019192 HFIHJVSNIUUQKG-UHFFFAOYSA-N 374.878 4.577 0 1 FJAF Fc1cc(C(F)(F)F)ccc1-c1nc2cc3c(cc2[nH]1)OC(F)(F)O3 587108896 IDFZRZZXOVSNPZ-UHFFFAOYSA-N 360.213 4.709 0 1 FJAF FC(F)(F)c1nc2ccc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cc2[nH]1 587120507 MIBMAIYZUFAHLM-UHFFFAOYSA-N 372.137 4.827 0 1 FJAF OC1(c2nc3ccc(C(F)(F)F)cc3[nH]2)CCC(C(F)(F)F)CC1 587125471 FSUOUTGJGAOIIO-UHFFFAOYSA-N 352.278 4.522 0 1 FJAF CC(C)(C)OC(=O)NC[C@@H]1CCCCc2c1nc1cccc3c1c2CC3 587212370 HBLAEOJMBBUAMH-HNNXBMFYSA-N 352.478 4.668 0 1 FJAF C[C@@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587359814 ZVKWLWBXIBWFQB-UNMCSNQZSA-N 364.372 4.511 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Cl)cc1)(c1ccccn1)O2 587377424 IDNPWDGHAUMHKR-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF CCOc1ccc([C@@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587401269 VMEYMDRRUDUMMM-JOCHJYFZSA-N 369.461 4.645 0 1 FJAF COc1cc2c3c(c1)O[C@@](CCc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O 587444627 WOTSYEBPRMMVSC-FDDCHVKYSA-N 350.458 4.860 0 1 FJAF O=C1C[C@@H](c2cccn2Cc2cccnc2)Oc2c1ccc1c2CCCC1 587513826 UQTYGGRJUQYTHF-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF CCOC(=O)C(CC)(CC)[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587526443 XQGYZJFPFQPASS-OAQYLSRUSA-N 358.478 4.659 0 1 FJAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1cc(Cl)ccc1Cl 587632452 CHKAGFDDCSWQMY-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1nccc2sccc12 587662219 XUGJGTCEYFFIGU-UHFFFAOYSA-N 373.412 4.802 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3ncccc23)N1 587780152 YWCONOCCQOGFPV-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF CC(C)c1ccc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873571 HPXASQMLBRUYBT-UHFFFAOYSA-N 352.365 4.638 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)cnc(Cl)c2[nH]1 587926537 IEWRSVUIMWAIED-JTQLQIEISA-N 366.248 4.824 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)c1ccc(OCCOC)cc1 963244901 XQEORINJOVAHLX-JPYJTQIMSA-N 353.506 4.632 0 1 FJAF O=C(CNc1ccc(-n2ccnc2)cc1)Nc1ccc(-c2ccccc2)cc1 1772643397 SLVAQWDMFLQVMP-UHFFFAOYSA-N 368.440 4.590 0 1 FJAF COc1ccc(C(=O)O[C@@H]2C=C(C)CC[C@]3(C)CC[C@](O)(C(C)C)[C@H]23)cc1 2356685800 FWEXPIFVUNZITF-PRTQVNTJSA-N 372.505 4.764 0 1 FJAF CC[C@@H](CO)Oc1cc(NCc2ccc(F)cc2)c2ncn(C(C)C)c2c1 61948957 XEJOQKLHUOTQTQ-KRWDZBQOSA-N 371.456 4.518 0 3 FJAF CC[C@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95570949 NHWIYXNGWYWBAJ-QGZVFWFLSA-N 370.412 4.532 0 3 FJAF O=C1Nc2cccc3c2[C@]1(CCCCN1CCc2sccc2C1)CCC3 2007270 PSWCYJDXBLJOMH-QFIPXVFZSA-N 366.530 4.503 0 1 FJAF O=C(N(c1ccccn1)c1ccccn1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12524598 YOPRVBOLIGBAHF-XBLGPDGASA-N 367.880 4.719 0 1 FJAF CC[C@@H](O)C(C[C@@H](C)N(C)CC1CC1)(c1ccccc1)c1ccccc1 28000793 YHPOEDVSZWYMCZ-AUSIDOKSSA-N 351.534 4.864 0 1 FJAF N=C(N)c1ccc2[nH]c(Cc3cccc(CCc4ccccc4)c3)cc2c1 28763896 QLGWIXVKXLGMJW-UHFFFAOYSA-N 353.469 4.828 0 1 FJAF O=C(O)c1cccc2c(=O)cc(-c3ccc(OCc4ccccc4)cc3)oc12 29225726 ISVWCSWNSKOHGX-UHFFFAOYSA-N 372.376 4.737 0 1 FJAF COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=C=CP(=O)(O)O)CC[C@@H]12 31860966 PYVQTASVCPATQN-JCOQEJNOSA-N 374.417 4.768 0 1 FJAF CCC(=O)[C@@H]1[C@@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@H]2CC[C@@H]1N2C 36270704 AEOXYMZMDLKZPQ-JWIQCUOBSA-N 365.517 4.956 0 1 FJAF C/C(=N\N(C)C)C1=CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 40496682 NFCLKPWCVFMOEG-FAEWRNNISA-N 356.554 4.784 0 1 FJAF COc1ccc(F)c(-c2c[nH]c(-c3cccc(CN4CCCCC4)c3)n2)c1 66058791 YWDVOTYHQWVPGI-UHFFFAOYSA-N 365.452 4.877 0 1 FJAF COc1cc(-c2cscc2-c2ccc3c(c2)OCO3)cc(OC)c1OC 72107974 NDYAMYMPGQNUBF-UHFFFAOYSA-N 370.426 4.837 0 1 FJAF Cc1cccc(-c2nc(NC3CCCC3)ncc2C(=O)N(C)CC(C)C)c1 82145013 CMKONMHHCKTIBC-UHFFFAOYSA-N 366.509 4.535 0 1 FJAF O=C(Nc1ccccc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 148609764 SOESWJFJHLNZDR-UHFFFAOYSA-N 364.355 4.586 0 1 FJAF O=C(c1cccc(Br)c1)[C@@H](c1ccccc1)c1ccccn1 169333161 YZZIFCWWEWCJMP-SFHVURJKSA-N 352.231 4.859 0 1 FJAF O=C(c1cccc(Br)c1)[C@H](c1ccccc1)c1ccccn1 169333162 YZZIFCWWEWCJMP-GOSISDBHSA-N 352.231 4.859 0 1 FJAF Brc1cncc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587022949 AFMCOLOFTRJNDM-UHFFFAOYSA-N 363.265 4.572 0 1 FJAF N=c1cc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c2c[nH]1 587060651 QYLHMLGSJHOYFC-UHFFFAOYSA-N 371.831 4.906 0 1 FJAF O=C1CCc2cc3[nH]c(-c4ccc(-c5ccccc5)c(Cl)n4)nc3cc2N1 587083973 PRPRQWZTYMFGKR-UHFFFAOYSA-N 374.831 4.830 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](c1cncnc1)CCC3 587105506 BNPZJVMBEHJEHP-OAHLLOKOSA-N 363.420 4.704 0 1 FJAF CCOC(=O)C1(c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)CCCC1 587106566 LMLAYQWWUYPEFV-UHFFFAOYSA-N 371.436 4.821 0 1 FJAF Cc1ccnc2[nH]c(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc12 587110070 MPSSSVLUUIPDFT-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(F)cc3C)o1)O2 587384457 DNDFXIHRNNQSSH-FQEVSTJZSA-N 351.377 4.991 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccccc3C)s1)O2 587412224 IFICHYNDNFEISW-QGZVFWFLSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cc(F)c1O)CC2=O 587465975 KRMNFXZGEFXNSK-INIZCTEOSA-N 350.773 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cn(C)c3cc(OC)ccc13)CC2=O 587475001 JONYCWUUSNSLNG-OAQYLSRUSA-N 365.429 4.552 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)ccc1Cl 587569238 HCGXFAQYNBCXEY-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ncccc12 587590423 ZZQHCKKUUBTFNZ-NFBKMPQASA-N 369.376 4.643 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2c(F)cc(F)cc2F)N1 587721680 QCPDDJFKOZILGS-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(OC(C)C)cc2[nH]1 587927458 QXBNFODTZGPDQT-MRXNPFEDSA-N 354.450 4.909 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587930022 FOJHEQHYWHQALP-LLVKDONJSA-N 350.340 4.816 0 1 FJAF Brc1cc2nc(Cc3ccccc3-c3ccccc3)[nH]c2cn1 587958767 JNNJERWRCBSETC-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(CCc1ccc(C)cc1)C1CC1 963051420 YPHWPKYPAHKOTI-RUZDIDTESA-N 372.512 4.936 0 1 FJAF CC(C)(C)OC(=O)c1cccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)c1 963101960 JRZYTIZFWRXQPH-NQIIRXRSSA-N 367.464 4.891 0 1 FJAF Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4C[C@H]3C)CC2)cc1 13860167 JUCOWYBTHHKLNZ-LJQANCHMSA-N 362.517 4.575 0 1 FJAF CNCCC[C@]1(C(C)C)Cc2ccccc2N(c2ccc(C)cc2)C1=O 28528867 PHZZSZDDGUPIKS-HSZRJFAPSA-N 350.506 4.858 0 1 FJAF FC(F)(F)c1ccc(O[C@H]2CCc3ccccc3[C@@H]2n2ccnc2)cc1 66098942 GTNGGVBUXWMYKQ-OALUTQOASA-N 358.363 4.885 0 1 FJAF CC(C)Oc1ccc(Oc2ccc(CC[C@H](C)NC(=O)C3CC3)cc2)cn1 66259368 ZKLUUIYEAKAKIE-INIZCTEOSA-N 368.477 4.508 0 1 FJAF C[C@@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)C1CCCCC1 95570642 SWSOEWNFYYVHKJ-MRXNPFEDSA-N 359.477 4.981 0 1 FJAF CN1CCC2(N3CCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 169306171 IEEUUMSWWJYKDX-ARIYZQMHSA-N 360.545 4.887 0 1 FJAF CC(=O)[C@H](CCCCCCC(=O)O)CCC[C@@H](O)CCc1ccccc1 169322247 DJCMOAQEGWWEJG-NHCUHLMSSA-N 362.510 4.781 0 1 FJAF CCCCCc1cc2c(s1)C[C@H]1c3cc(O)c(OC)cc3CCN1C2 210428324 PLCWEVBEXIVMCL-SFHVURJKSA-N 357.519 4.851 0 1 FJAF CC(=O)OCC1=CC[C@H]2[C@@](C)(C(=O)O)CCC[C@]2(C)[C@H]1CCc1ccoc1 238773021 BMYLRKVXOFJPON-PSBKLILYSA-N 374.477 4.619 0 1 FJAF O=c1ccc2cc(-c3nc4cc(SC(F)(F)F)ccc4[nH]3)ccc2o1 586917096 DNVGFZXFUNRUGF-UHFFFAOYSA-N 362.332 4.948 0 1 FJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21 587027209 QNXMCNJKQGKYJF-MNEFBYGVSA-N 365.502 4.699 0 1 FJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3ccccc3cc2[nH]1 587111760 AYLMVSFPKMBVPB-INIZCTEOSA-N 355.363 4.977 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4ccc(C(=N)N)cc4[nH]3)ccc2F)cc1 587139485 LLNAGQZUPJBWRP-UHFFFAOYSA-N 372.403 4.523 0 1 FJAF Cc1c(-c2cc3c4c(cccc4n2)CC3)nnn1Cc1ccc(Cl)cc1 587209407 OYHAJDZZMKDQLC-UHFFFAOYSA-N 360.848 4.602 0 1 FJAF C[C@@]1(C(F)(F)C(F)F)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587331913 RCZDUNZCBMSVMF-WMLDXEAASA-N 372.289 4.549 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cc[nH]c1)(c1cccc3ccccc13)O2 587396798 PIUMDUAGNJGSCA-XMMPIXPASA-N 368.436 4.968 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(N3CCCCC3)o1)CC2=O 587473893 CSLNCXOXHBDYSU-LJQANCHMSA-N 355.434 4.635 0 1 FJAF Cc1ccc([C@]2(c3occc3N)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587512587 ZDFICBTWEFOIRS-DEOSSOPVSA-N 373.452 4.958 0 1 FJAF O=C1C[C@@H](c2ccc(-c3ncccn3)cc2)Oc2c1ccc1c2CCCC1 587514703 JDQLUDWVHZBRFE-NRFANRHFSA-N 356.425 4.729 0 1 FJAF O=C1C[C@](c2ccccc2)([C@H]2CCCCN2)Oc2c1ccc1c2CCCC1 587525535 NTDWHPQWQISBBB-VWNXMTODSA-N 361.485 4.568 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1F 587559599 XTTLKENXQPRAIZ-UGKGYDQZSA-N 364.372 4.717 0 1 FJAF CC(C)Oc1ccc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1 587660809 UEEQKYUMSMMWAO-UHFFFAOYSA-N 374.415 4.979 0 1 FJAF Cc1c(-c2nsc(=O)o2)c(=O)oc2cc3occ(C4CCCC4)c3cc12 1857578777 DJCSLXVHDVWJMJ-UHFFFAOYSA-N 369.398 4.582 0 1 FJAF Brc1cc2c(s1)CC[C@@H](NCCCc1ccccc1)CC2 1911570994 COEFOOWNWLEYHU-INIZCTEOSA-N 364.352 4.980 0 1 FJAF Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)c3ccco3)n2)cc1 932709 CDBYZAGEHJNVJG-MRXNPFEDSA-N 368.458 4.537 0 3 FJAF Clc1ccc(Nc2nc(NC3CCCCC3)nc(N3CCCC3)n2)cc1 756917 DTMNTIWRFIOWHA-UHFFFAOYSA-N 372.904 4.613 0 1 FJAF Cc1cc(C)cc(Oc2c(C(C)C)c(=O)[nH]c(=O)n2CCC2=CCCC2)c1 6521915 QCUCVTURHNWUAU-UHFFFAOYSA-N 368.477 4.570 0 1 FJAF N[C@@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@H](c1ccccc1)C2 40874886 RYSREWLCUBCLSN-HTOMHKFXSA-N 360.545 4.920 0 1 FJAF COCc1ccc(Nc2nnc(Cc3c(Cl)cccc3Cl)o2)cc1 49071431 HNDTVOAMRZXTIP-UHFFFAOYSA-N 364.232 4.857 0 1 FJAF O=C(O)C1=Cc2cc(Cl)cc(-c3ccc(F)cc3)c2O[C@@H]1C(F)(F)F 66103671 JJWCCMOALVRLLA-HNNXBMFYSA-N 372.701 4.937 0 1 FJAF O=C(c1ccc(Cl)cc1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 71318758 OPLSUIUJWGFZEH-ONTIZHBOSA-N 369.892 4.633 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1sccc1C 103530032 LWFMRSRUCDSXBW-UKJPIOLTSA-N 353.447 4.908 0 1 FJAF Clc1ncc(Br)c2nc([C@]34CCC[C@H]3[C@H]3CC[C@H]4C3)[nH]c12 586885436 USUAENSZNOJZJF-MLQVYSHPSA-N 366.690 4.842 0 1 FJAF Nc1ccc(-c2ccc3nc([C@H]4Cc5ccccc5S4)[nH]c3c2)cc1N 587042400 JGMJCFBSQVYKSN-HXUWFJFHSA-N 358.470 4.784 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(F)cc(Br)c2[nH]1 587067288 RWWGVKBINYNLOL-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF COc1cc2nc([C@@H](C(C)C)N(C)C(=O)OC(C)(C)C)[nH]c2cc1Cl 587197790 OHOCOYBCFDPRAJ-OAHLLOKOSA-N 367.877 4.789 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c1 587242603 XDXXKLMGCMATJP-UHFFFAOYSA-N 362.355 4.628 0 1 FJAF CC(C)[C@@H]1C[C@]2(CS1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587372542 JPRVUTHWYJPUQI-IRFCIJBXSA-N 372.461 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)c(O)c(Cl)c1)CC2=O 587464977 DFSHUZSUFPYPHT-MRXNPFEDSA-N 350.773 4.549 0 1 FJAF CCC(=O)Oc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523339 LIJQOZAQPHUGEV-FQEVSTJZSA-N 350.414 4.587 0 1 FJAF CCC[C@H]1CC[C@H](CC[C@H]2CCc3nc4nc(O)nc(O)c4cc3C2)CC1 587561470 IGASQIHFONZXCX-JYJNAYRXSA-N 369.509 4.928 0 1 FJAF CS[C@@H]1CCCC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587847356 WPEJMJGWNOMTBT-GTTSAUCSSA-N 358.320 4.623 0 1 FJAF CC[C@H](O[C@H]1CCC[C@@H](C)C1)c1nc2cncc(Br)c2[nH]1 587952187 MMYVBHBKPFTXLA-SUNKGSAMSA-N 352.276 4.767 0 1 FJAF FC(F)(F)c1ncc2nc([C@@H](Cc3ccccc3)c3ccccc3)nc-2[nH]1 587957066 ZKOYLPAYZBRJJA-HNNXBMFYSA-N 368.362 4.698 0 1 FJAF COc1cc2c(cc1OC)[C@]1(CC[C@H](c3ccccc3)C1)N(C)[C@@H](C)C2 962631104 QIKULXJJAVNYPU-TXBYWVTISA-N 351.490 4.743 0 1 FJAF COc1cc(F)ccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772642823 VDDDKGKFKKMQBT-MRXNPFEDSA-N 357.406 4.564 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cc(O)nc4n[nH]c(C)c34)cc2)c1 1772653594 FPCLYJNWIPGJNM-UHFFFAOYSA-N 373.416 4.591 0 1 FJAF CCCOc1ccc2c(c1)[C@@]1(C)Cc3cnc(C)nc3C(C)(C)[C@@H]1CC2 1857587995 PGPLAFCWGOYIDB-NZQKXSOJSA-N 350.506 4.928 0 1 FJAF CC(=O)OCC1=C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@H]2CC[C@H]1C3 2356511206 BPNHQUDTVYQGKS-NGRMMRFWSA-N 360.494 4.583 0 1 FJAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cncnc1 15925017 WYYWSBPUWDDWRJ-UHFFFAOYSA-N 372.350 4.800 0 3 FJAF CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1OC(C)(C)C(=O)O 3964260 RUIWUDJYVYEUJX-UHFFFAOYSA-N 373.371 4.994 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CCO[C@@H]2N3C)cc1 14947357 NPANUSRHFVUOKM-RBBKRZOGSA-N 366.461 4.875 0 1 FJAF c1cc2c(cc1OCCCN1CCCCC1)CCN(CC1CCCCC1)C2 36188064 GGEPZPNNSAXBCJ-UHFFFAOYSA-N 370.581 4.880 0 1 FJAF O=C(O)[C@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1 45286821 SMIOIVPAQCHIDD-QHCPKHFHSA-N 360.453 4.937 0 1 FJAF O=C(CCc1ccc(O)cc1)C[C@@H](O)CCCCCCc1ccccc1 82155075 XDTCCLMIQQZZNE-QFIPXVFZSA-N 354.490 4.838 0 1 FJAF Cc1nc(-c2cnc(N[C@H]3CCCC[C@H]3C)nc2-c2ccco2)oc1C 82165408 DQNWAQPUXAHPGM-WBMJQRKESA-N 352.438 4.999 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cc(Cl)ccn3)nc3ccc(O)c1c23 586984964 CHUPUCGREQTSBD-UHFFFAOYSA-N 358.784 4.867 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cnc(Cl)cc2[nH]1 587077386 WNJXEQAXXUFURM-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF N=c1[nH]c2c(-c3cc4c5c(cccc5n3)C(=O)c3ccccc3-4)cccc2o1 587104382 GRARZWFMRJJAOZ-UHFFFAOYSA-N 363.376 4.667 0 1 FJAF FC(F)(F)Sc1ccc(/C=C\c2nc3cnc(Cl)[nH]c-3n2)cc1 587125889 VDZCXWQCOFRJJP-UTCJRWHESA-N 356.760 4.740 0 1 FJAF Cc1cc2nc(-c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C)N4)[nH]c2cc1Cl 587126946 OZOVHZIUMXEVGC-SDBXPKJASA-N 369.778 4.696 0 1 FJAF N[C@H](c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1)c1ccc(F)cc1F 587151918 WTTIPEAURCASKO-LBPRGKRZSA-N 361.701 4.561 0 1 FJAF Fc1cccc2c(-c3nc4c(Cl)cc(Br)cc4[nH]3)n[nH]c12 587176846 VJZUNWSZOAMKFT-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Cc1cnc(Cl)c2[nH]c(C(C)(C)C(C)(C)NC(=O)OC(C)(C)C)nc12 587201567 SLTVWPMSEBMTLQ-UHFFFAOYSA-N 366.893 4.501 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(C[C@@H](c3ccccc3)Nc3ccccc31)O2 587402002 UZWSXZIZYRKFOF-XUZZJYLKSA-N 370.452 4.995 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccccc1OC1CCCC1)[C@@H](C2)C3=O 587440101 AEGCKEQQOHNSSW-HTAPYJJXSA-N 350.414 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)cc1OC(F)F)CC2=O 587468365 WOZOOTXIZAVBFC-QGZVFWFLSA-N 366.335 4.792 0 1 FJAF CC1=C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587504227 GUDIDMXFCKEIKG-JOCHJYFZSA-N 350.389 4.861 0 1 FJAF O=C1C[C@@H](c2nc(C(F)(F)F)cs2)Oc2c1ccc1c2CCCC1 587509375 RWONIUZGUCNYRN-ZDUSSCGKSA-N 353.365 4.747 0 1 FJAF CC[C@@]1(c2ccc(C(=O)OC)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528015 YCQWRKFKNIBOLB-QHCPKHFHSA-N 364.441 4.623 0 1 FJAF CC[C@]1(c2ccc(C(=O)O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587528533 BBMNQZIYBKIVOZ-JOCHJYFZSA-N 350.414 4.534 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)cc1 587546618 JNMMEUKUXRZPCL-YLJYHZDGSA-N 352.773 4.749 0 1 FJAF Cc1cccc(C2CC3(C2)Oc2ccccc2C(=O)[C@H]3C(=O)c2ccco2)c1 587603354 MSAQDMYVOIAXCJ-LBVATQBMSA-N 372.420 4.979 0 1 FJAF CC1(C)[C@H]2CC[C@](C)(C2)[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604034 QOBOPKIQJOSIHE-XNXHMXAWSA-N 364.441 4.939 0 1 FJAF CC1=COc2ccccc2[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587608324 KAGUZPWAEYAXOO-REWPJTCUSA-N 372.376 4.546 0 1 FJAF Cc1[nH]c2cc(F)ccc2c1Cc1ccc(I)cc1 587635088 GUBRJAVQBIKPKV-UHFFFAOYSA-N 365.189 4.811 0 1 FJAF CCCOc1cccc(Cc2nc3cc(Br)c(F)cc3[nH]2)c1 587778929 RUOAONYNCPWNIC-UHFFFAOYSA-N 363.230 4.844 0 1 FJAF O=C(COc1ccc2ccccc2c1)n1nc2cc1Oc1ccc(F)cc1-2 587873125 CLSPQRKDIKWBJH-UHFFFAOYSA-N 360.344 4.667 0 1 FJAF Oc1ccc2c(c1)[C@](c1ccc(Br)cc1)(C1CCCC1)NCC2 963329409 NVJQFHHNONAZSE-HXUWFJFHSA-N 372.306 4.734 0 1 FJAF O=c1oc2ccccc2c2c1N[C@H](c1ccc(F)cc1)[C@H]1CCCO[C@@H]21 1772643543 DQDBAAXDZHXLER-XFQXTVEOSA-N 351.377 4.567 0 1 FJAF CCC(=CCc1c(O)cc2c(c1O)C(=O)C[C@H](c1ccc(O)cc1)O2)CC 1857769650 WVWCMLYTYYIHOH-LJQANCHMSA-N 368.429 4.799 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@@H](OC(C)=O)c3c(C)coc3C[C@@H]12 2356497249 HLYBLRRKNWNJDY-LISSUJMISA-N 374.477 4.679 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c3c(c1)OCO3)O2 2356508311 UIWUAELYQAENKN-CWTRNNRKSA-N 354.402 4.703 0 1 FJAF O[C@H](c1ccccc1)c1nc(-c2cccc(OCc3ccccc3)c2)c[nH]1 61903934 SHXKSUCNBOLAFM-JOCHJYFZSA-N 356.425 4.737 0 3 FJAF Cc1ccc(NC(=O)Nc2cc(C(C)(C)C)sc2C(=O)N(C)C)cc1 26674474 RALWYNSHHMYKBY-UHFFFAOYSA-N 359.495 4.700 0 1 FJAF CSc1cccc(-n2c(SC)nc3sc4c(c3c2=O)CCCC4)c1 28948915 FRAYBFZZYQHOLB-UHFFFAOYSA-N 374.556 4.770 0 1 FJAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3cccnc3)cc12 49070891 SRMRMSFVDXVBTM-UHFFFAOYSA-N 372.428 4.736 0 1 FJAF COC(=O)[C@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2cccs2)s1 100884215 BLOLSIOUOOBUTD-RISWNFLISA-N 371.527 4.516 0 1 FJAF CC1=C2C(=O)O[C@@H](c3ccoc3)[C@]2(C)CC[C@H]1OC(=O)c1ccc(C)cc1 103206844 JOPYLSLLZYQJGV-ZWCUEREDSA-N 366.413 4.528 0 1 FJAF Oc1cccc(-c2ccc3ncnc(Nc4cccc5[nH]ncc45)c3c2)c1 143076212 XHECPIUEWZFGGQ-UHFFFAOYSA-N 353.385 4.622 0 1 FJAF C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCCC(=O)O)cc2)cc1 144761132 NWARXTXDBNSWOA-GOSISDBHSA-N 351.490 4.788 0 1 FJAF Brc1n[nH]c2ccc(-c3nc4ccc5c(c4[nH]3)CCCC5)cc12 587006221 BBBQSJLKWVRSEI-UHFFFAOYSA-N 367.250 4.748 0 1 FJAF Fc1cc(C(F)(F)F)c2[nH]c(-c3csc([C@H]4CCCO4)n3)nc2c1 587017354 UWHFPGBTRCXHHB-LLVKDONJSA-N 357.332 4.696 0 1 FJAF Clc1nc(-c2nc3cc(Br)ncc3[nH]2)cc2ccccc12 587085735 DSMVVPNAVUXALC-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CC(C)[C@H](c1nc2cc(Cl)c(Cl)nc2[nH]1)N(C)C(=O)OC(C)(C)C 587197780 NYIQKWRZVDSZET-LLVKDONJSA-N 373.284 4.829 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN([C@@H](C)c3ccccc3)[C@@H](C)C1)O2 587400019 NLGYNZKPOLYDMG-QQMNAOGKSA-N 364.489 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1N)(C1CCCC1)CC2=O 587473087 PSQQIUYDQVRMBY-QHCPKHFHSA-N 365.473 4.978 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccncc1)CC2=O 587488760 JJPJTAAWHBFDAZ-QHCPKHFHSA-N 359.425 4.649 0 1 FJAF CC(C)=C1Oc2cc(O)ccc2[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587533413 SUANPTFNMPAPHG-QHCPKHFHSA-N 362.425 4.818 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCc1sccc12 587616990 IJMXYRZTSXSMCX-NQIIRXRSSA-N 364.422 4.647 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(O)c2Cl)N1 587692289 GUIFVTGGXGRCBU-VPTHRUTESA-N 370.649 4.571 0 1 FJAF CCCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831800 YIPNQYRLKAZWPP-BMLIUANNSA-N 352.247 4.757 0 1 FJAF CSc1ccc(-c2csc(C[C@@H](C)NC(=O)OC(C)(C)C)n2)cc1 587924624 GGTOSEICQIKYMQ-GFCCVEGCSA-N 364.536 4.988 0 1 FJAF Cc1ccc(-c2cccc(CNC(=O)CCc3ccc4c(c3)OCO4)c2)cc1 1772593465 MOGONATXGFJOCG-UHFFFAOYSA-N 373.452 4.640 0 1 FJAF Nc1sc(-c2ccccc2)cc1C(=O)NCCCCc1ccccc1 1772636023 DMJONCCMYZLQDF-UHFFFAOYSA-N 350.487 4.750 0 1 FJAF Cc1cccc(CCNC(=O)c2ccc3c(c2)ncn3C2CCCCC2)c1 201460284 RKRWHUHIWWHZSH-UHFFFAOYSA-N 361.489 4.822 0 3 FJAF CCCN(C(=O)CCc1nc(-c2ccc(C)cc2)no1)c1cccc(C)c1 4921003 MXKZUSLQALBPAK-UHFFFAOYSA-N 363.461 4.729 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCC[C@H]1N(C)C 28237292 CKBBSTXXVDRFDD-IAGOWNOFSA-N 357.325 4.999 0 1 FJAF Fc1ccc2[nH]c([C@@H]3CCN(Cc4ccc(C(F)(F)F)cc4)C3)nc2c1 51048224 GEYNCDPYQZKMAZ-CYBMUJFWSA-N 363.358 4.710 0 1 FJAF biogenic CC(C)(C)c1cccc(C(C)(C)C)c1N1C(=O)c2ccc(N)cc2C1=O 71334448 WVFVQMLYVBYXFQ-UHFFFAOYSA-N 350.462 4.664 0 1 FJAF Clc1ccc([C@]23CCNC[C@@]2(Cn2ncc4ccccc42)C3)cc1Cl 72116471 GRCVTMNCDBAKJY-WOJBJXKFSA-N 372.299 4.665 0 1 FJAF Cc1cccn2c([C@H]3CC(c4ccccc4)=NN3)c(-c3ccc(F)cc3)nc12 95592361 ITTRKZJFUJBSHX-HXUWFJFHSA-N 370.431 4.888 0 1 FJAF Cc1ccccc1-c1ccc(CCC(=O)Nc2ccccc2C(=O)O)cc1 137951340 VKCIGBKESIDUAE-UHFFFAOYSA-N 359.425 4.932 0 1 FJAF C[C@@H]1CN(CCOC(=O)[C@@H](c2ccccc2)[C@@H]2C=CCCC2)C(C)(C)C1 256075672 URSAPVYAZIFTPK-TYPHKJRUSA-N 355.522 4.790 0 1 FJAF CCO[C@@H]1CC[C@@H]2[C@H](CC[C@@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 299816935 ZOYLVBQKNCQNAG-HTWCNVFQSA-N 366.505 4.622 0 1 FJAF COc1ccc(CNC2(c3ncc(-c4ccc(C)cc4)[nH]3)CCCC2)cc1 473094845 WMWUQTXOEORCTN-UHFFFAOYSA-N 361.489 4.953 0 1 FJAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(N)c1 586988035 WAOCMAGDQPZEJB-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF O=Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586991560 OOQRUTZTAZDFAS-UHFFFAOYSA-N 351.361 4.631 0 1 FJAF Cc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F 587012839 LCELDNGRJAWEIE-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF O[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccccc1Cl 587058985 KMXLDRPGMQDIRB-ZDUSSCGKSA-N 358.772 4.910 0 1 FJAF Cc1cc(Cl)cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c12 587060516 GPYHQZHKGORSAL-UHFFFAOYSA-N 370.243 4.715 0 1 FJAF FC(F)(F)c1n[nH]c(C(F)(F)F)c1-c1nc2cnc3ccccc3c2[nH]1 587120724 DOJRJRBMOUNHAZ-UHFFFAOYSA-N 371.244 4.539 0 1 FJAF COc1ccc(Cc2nc3cc(Cl)cc(Br)c3[nH]2)c(F)c1 587149390 RPGILGRRKQSVKX-UHFFFAOYSA-N 369.621 4.717 0 1 FJAF C[C@@H](c1ccc(N(C)C)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587196372 TZILKMPYLVXJMO-JTQLQIEISA-N 362.246 4.682 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 587233923 WWINSEOVUSVRLZ-JQWIXIFHSA-N 369.387 4.743 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)cc2Cl)N1 587698858 VSNQQVRTSQOGTK-ZKANADHPSA-N 370.649 4.571 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](Cc2ccccc2)(C2CC2)N1 587813437 CSKVKSQIFGGOLB-ZUOKHONESA-N 374.297 4.970 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cnc(C3CC3)s2)N1 587856169 WJPXVWNITIGQOR-AYVTZFPOSA-N 367.287 4.546 0 1 FJAF O=C(c1ccc(OC(F)(F)F)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587873410 AWFZCUHQDPDGOI-UHFFFAOYSA-N 364.254 4.382 0 1 FJAF Fc1c(Br)cc2nc(C[C@@H]3C[C@H]3c3ccccc3)[nH]c2c1F 587959365 DIRVMIDOBZGCPB-QWRGUYRKSA-N 363.205 4.950 0 1 FJAF c1ccc2c(c1)Sc1cccnc1N2CCCCCCN1CCOCC1 653707186 UIEKSGGZBSOENC-UHFFFAOYSA-N 369.534 4.577 0 1 FJAF Cn1ccc2c3ccccc3nc-2c1C(=O)c1ccccc1Br 653784971 JWEVJRANFFDACY-UHFFFAOYSA-N 365.230 4.672 0 1 FJAF COc1ccc2c(c1)[C@](C)(Cc1cc(Cl)cnc1Cl)N[C@@H]1CC[C@H]21 962995967 NVKYASPRPXROJW-SUMDDJOVSA-N 363.288 4.704 0 1 FJAF Cc1cccc([C@@]2(C3CCCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c1 963018906 FJDGIZNLZXIQBJ-AVRWGWEMSA-N 374.528 4.872 0 1 FJAF Clc1cccc2c1[C@@H](c1ccc(OCc3ccncc3)cc1)NCC2 963389565 BMTLFSMRSAODLP-OAQYLSRUSA-N 350.849 4.549 0 1 FJAF CC(C)(C)c1ccc(-n2cc(CN3CCc4cc(Cl)ccc43)nn2)cc1 1857547718 RXZRKSDZWAPRME-UHFFFAOYSA-N 366.896 4.781 0 1 FJAF OCCCCCN1CCCC[C@@H]1c1nc(-c2ccc3ccccc3c2)no1 1857594294 VGZLEPWHYSCXKG-HXUWFJFHSA-N 365.477 4.579 0 1 FJAF O=C(CCC=CCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356346173 LALIMVNVUDRVIW-UHFFFAOYSA-N 355.478 4.948 0 1 FJAF CC(C)(Sc1nc2cccnc2n1-c1cccc2ccccc12)C(=O)O 2382235714 QFFCRCDXRWZBOG-UHFFFAOYSA-N 363.442 4.529 0 1 FJAF CCC(=O)N(CCN1CCC(Cc2ccccc2)CC1)c1ccc(C)cc1 2382240899 VGXBZPOHKHDSPD-UHFFFAOYSA-N 364.533 4.693 0 1 FJAF CC1(C)Cc2c(cnn2-c2cccc(F)c2)[C@H](NC2CCSCC2)C1 12386475 SYVFYLPDGXJQRD-GOSISDBHSA-N 359.514 4.510 0 1 FJAF C[C@H](NC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1ccc(Cl)cc1Cl 13097076 YBFUUMBZJISEEE-BGEGXTBBSA-N 368.304 4.502 0 1 FJAF COc1cccc(NC(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)c1 13684812 DVOLCAAFHLSTNK-SFHVURJKSA-N 362.857 4.590 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c3CNC4=O)c(C)c2)c1 14945220 LEYFQNHJQAEERL-UHFFFAOYSA-N 371.440 4.858 0 1 FJAF CC(C)C(=O)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1 40395202 SVQUSXPSFACFNF-UHFFFAOYSA-N 372.827 4.510 0 1 FJAF CC(C)NC(=N)c1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1 40403780 SNBVHMLQLRNYBU-UHFFFAOYSA-N 372.881 4.525 0 1 FJAF S=c1[nH]nc(Nc2nc(-c3ccccc3)cs2)n1-c1ccccc1 49069068 XIPKDYRLOSOPGO-UHFFFAOYSA-N 351.460 4.797 0 1 FJAF O=C(c1ccc(Cl)cc1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@H]21 71317661 OPLSUIUJWGFZEH-VWPQPMDRSA-N 369.892 4.633 0 1 FJAF Oc1ccc(-c2nc(CNCC(c3ccccc3)c3ccccc3)co2)cc1 72183699 HIRSOGFUMSEXPG-UHFFFAOYSA-N 370.452 4.969 0 1 FJAF CCCCn1c2cc(OC[C@@H](O)C(F)(F)F)ccc2c2ccnc(C)c21 95593536 IJQMMIJWXIXEBN-QGZVFWFLSA-N 366.383 4.600 0 1 FJAF O=C1O[C@]2(CCCc3ccccc32)CC(O)=C1SCc1ccccc1 100364312 UWEOGUVTAPKLPD-OAQYLSRUSA-N 352.455 4.868 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1ccccc1 104056567 CCSPNLSKQGARHA-AWEZNQCLSA-N 353.447 4.508 0 1 FJAF CC[C@H](C)c1cc2cc(OC)c(Cl)cc2n1Cc1cccc(C(=O)O)n1 169701334 BDCCHFGQWVYVDB-LBPRGKRZSA-N 372.852 4.958 0 1 FJAF CN[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 217347765 YYZXRKLXYNZSDC-BGTVMMHMSA-N 351.538 4.575 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cc(Br)cc(Cl)c2[nH]1 586960243 AAMDOHIRWDKJLI-SSDOTTSWSA-N 369.675 4.622 0 1 FJAF CCc1c(-c2c(C)n[nH]c2C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989335 FKPOSCFIOOPEKX-UHFFFAOYSA-N 369.424 4.721 0 1 FJAF FC(F)=C(C[C@H]1CCCN1)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587087086 AVHRSWFZWCCZQS-MRVPVSSYSA-N 365.733 4.985 0 1 FJAF FC(F)(F)c1ccccc1Cc1nc2ccc(Br)cc2[nH]1 587097450 HZSUFTPVNQRLAT-UHFFFAOYSA-N 355.157 4.935 0 1 FJAF COC(=O)c1cccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c12 587112059 JSGIAZUKSMRDQY-UHFFFAOYSA-N 371.318 4.584 0 1 FJAF Oc1cccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c12 587150054 JYEDYQWLBLPBOD-IBGZPJMESA-N 352.340 4.715 0 1 FJAF Cc1c(Br)cnc2[nH]c([C@H]3C[C@@H]3c3cccc(F)c3F)nc12 587153401 ZKNVODDRXMOGQU-ZJUUUORDSA-N 364.193 4.578 0 1 FJAF Cc1cc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2cc1C 587167066 HAUGLNPJEYEZMJ-GOSISDBHSA-N 352.413 4.688 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(CCCCF)c1F)O2 587383565 SQCBNTCNQSQXNG-OAQYLSRUSA-N 359.416 4.889 0 1 FJAF CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386957 YGJRQJMIEOYHRQ-ZSEKCTLFSA-N 370.468 4.905 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(-c3ccc(C=O)o3)cc1)O2 587407557 CIMPZRZRHCQJRN-QFIPXVFZSA-N 361.397 4.530 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccn(Cc3ccccc3)c1)CC2=O 587468958 CDGMDSPKACTNFC-JOCHJYFZSA-N 361.441 4.901 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cc(F)ccc3[nH]1)CC2=O 587470099 DFBDJOOIUWDGBZ-NRFANRHFSA-N 353.393 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(C)ccc1OC)CC2=O 587477812 JJPKDEMKJNZZDK-JOCHJYFZSA-N 354.446 4.932 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](c3cccnc3)C1)CC2=O 587486571 CUDYMZWLJGLSPU-QRQCRPRQSA-N 351.446 4.802 0 1 FJAF O=C1C[C@@H](c2cc(F)ccc2-n2cccn2)Oc2c1ccc1c2CCCC1 587507118 UHOWGHIYPWOMHY-NRFANRHFSA-N 362.404 4.597 0 1 FJAF O=C1C[C@H](c2csc3cnc(Cl)nc23)Oc2c1ccc1c2CCCC1 587536592 XDRFZOLUHFAGMG-OAHLLOKOSA-N 370.861 4.930 0 1 FJAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)c(Cl)c1 587628005 FEMSLBJBMBQECY-UHFFFAOYSA-N 368.191 4.917 0 1 FJAF CCn1cc(C(=O)c2c(C(F)(F)F)[nH]c3cc(Cl)c(F)cc23)c(C)n1 587630200 VLOFHIDANVGCDO-UHFFFAOYSA-N 373.737 4.735 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)o1 587832188 ZHTBIOYKAHXILU-XYZCENFISA-N 352.247 4.596 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](C2=Cc3ccccc3OC2)N1 587836473 VQHSZVKEKVOEFH-JEOXALJRSA-N 374.253 4.640 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(-c2ccccc2)nn1 587871854 ODRMJEAWEHYKTH-UHFFFAOYSA-N 360.392 4.534 0 1 FJAF COc1cc(C(C)=O)c(OC)n1CCCc1ccc(Cl)c(Cl)c1 587943304 VGAWSECRCLMHDA-UHFFFAOYSA-N 356.249 4.648 0 1 FJAF CC(C)(c1ccccc1)[C@@]1(C)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962730436 NRMHQMGQLKIQEN-PXNSSMCTSA-N 361.407 4.525 0 1 FJAF Cc1ccc(CC[C@]2(c3ccccc3F)NCCc3c(C)ccnc32)cc1 963089048 PZWASXMXMXFXPA-XMMPIXPASA-N 360.476 4.860 0 1 FJAF Clc1ccc(COc2cccc3o[nH]c(=Nc4cccnc4)c23)cc1 1857646800 ADTWCQQSSUEDKS-UHFFFAOYSA-N 351.793 4.621 0 1 FJAF CC(=O)[C@]1(OCCc2ccccc2)OC[C@@H]2C=C[C@@H]3C[C@H](C)CC[C@@H]3[C@@]21C 2356452600 WFMHAGOWQRBMPG-KULGPUGRSA-N 368.517 4.806 0 1 FJAF CC(=O)N[C@H](c1ccccc1)c1nc(-c2cnc3ccccc3c2)cs1 61930933 JTYZVTFYSGVUIF-HXUWFJFHSA-N 359.454 4.584 0 3 FJAF CC1(c2nnc3ccc(-c4ocnc4-c4cc(F)c(F)cc4F)cn23)CC1 3963025 JOHOCXWBNVWZSY-UHFFFAOYSA-N 370.334 4.520 0 1 FJAF CC(C)=CCn1c2c(ccc1=O)[C@H](NCCc1ccccc1Cl)CCC2 13743299 JIEGOIANEFFTCT-HXUWFJFHSA-N 370.924 4.678 0 1 FJAF CSc1ccc(C2=C(c3ccc(F)c(F)c3)C(=O)N3CCC[C@@H]3C2)cc1 29413221 FHEKJMWJCZUXGE-OAHLLOKOSA-N 371.452 4.992 0 1 FJAF C[C@@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499213 HCSCBGKMVNYQNJ-NJAFHUGGSA-N 371.546 4.897 0 1 FJAF O=C(COc1ccccc1)N1CCS[C@H]1c1ccc(Cl)c(Cl)c1 40575925 LBFQMXBQOZLNNR-KRWDZBQOSA-N 368.285 4.646 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)OC[C@@H]1CCCN2CCCC[C@H]12 84741443 LAGAODHREHSTBR-XJKSGUPXSA-N 356.388 4.518 0 1 FJAF CCC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(Cl)c(Cl)c1 100809428 JVJYOCYVDQOIIM-IQMVSJCASA-N 350.289 4.839 0 1 FJAF Cc1ccc(/C=C/C(O)=C2\C(=O)N(C)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 102737186 WECSMEKBFPEVLX-GKPYIJNCSA-N 361.441 4.575 0 1 FJAF COc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)nc2)cc1 103193343 LPERMAQZONWELN-UHFFFAOYSA-N 368.820 4.575 0 1 FJAF Cc1ccc2ccc3c(c2n1)Oc1ncnc(N)c1[C@@H]3c1ccc(Cl)cc1 103200345 JJBQRIXEPJMASH-MRXNPFEDSA-N 374.831 4.855 0 1 FJAF O=C(Nc1ncc(Cc2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 299871001 XLYHRRWHFJBRAU-UHFFFAOYSA-N 352.503 4.889 0 1 FJAF Fc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977378 MFQVWVAEEOXYKS-UHFFFAOYSA-N 355.594 4.697 0 1 FJAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3cccc(Br)c3)[nH]c12 586983568 DPYUSGONMDZAOY-ZDUSSCGKSA-N 364.674 4.530 0 1 FJAF Oc1ccc2nc(COc3ccc4ccccc4c3Br)[nH]c2c1 587000714 JYPJYDPRGISBAU-UHFFFAOYSA-N 369.218 4.763 0 1 FJAF O=C(Nc1nc(Cc2nc3cccc(Cl)c3[nH]2)cs1)c1cccs1 587019933 SSWQNYRIYHUCKS-UHFFFAOYSA-N 374.878 4.577 0 1 FJAF COc1ccc2nc(-c3nc4c(OC(F)(F)F)cccc4[nH]3)sc2c1 587034498 GTWLSQNUZFQOQC-UHFFFAOYSA-N 365.336 4.747 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 587154957 HJEADDDNIRJSLG-QMMMGPOBSA-N 374.725 4.646 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(COc3ccc(F)cc3)o1)O2 587385783 VBNZNYBJCGRGQI-HXUWFJFHSA-N 367.376 4.595 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OCc3ccccc3)cc1)O2 587399021 IARVRARUCMSKMH-JOCHJYFZSA-N 359.425 4.863 0 1 FJAF CC[C@H](C)c1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OC 587442751 LJHCWNCCYOLGJG-DGIMUSOZSA-N 352.430 4.706 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)c(C)c(C)c(C)c1C)[C@@H](C2)C3=O 587445690 MVLLGFKBNXKZTB-FDDCHVKYSA-N 350.458 4.900 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1Br)CC2=O 587459018 VVBKZUAHDYEAIM-QGZVFWFLSA-N 361.235 4.814 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3nc(Cl)ccc13)CC2=O 587463041 VGYZYXKKEOUQIF-INIZCTEOSA-N 356.809 4.581 0 1 FJAF Cc1ccc(/C(=C/N(C)C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587511706 MZIHCOLWAWBQIR-FQWPPLDYSA-N 361.485 4.810 0 1 FJAF C[C@H](C[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)c1ccccc1 587602035 IJBAFUUJWJDIBR-IPHXSNPTSA-N 360.409 4.916 0 1 FJAF C[C@@H]1C[C@@]2(Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c2ccccc21 587603033 KOTLOPBNOYFZCR-HCVAFPHWSA-N 358.393 4.757 0 1 FJAF CCOC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccccc1F 587629286 ILZNOTMURKFNTI-UHFFFAOYSA-N 363.747 4.507 0 1 FJAF CCOC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1ccc(F)cc1 587631212 XURKYHSMURWAFJ-UHFFFAOYSA-N 363.747 4.507 0 1 FJAF CC(C)COc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873029 AWTCMNBGDJFJCJ-UHFFFAOYSA-N 352.365 4.518 0 1 FJAF O=C(C1CC1)[C@]1(c2ccccc2F)NCCc2c(Cl)cc(Cl)cc21 963103601 FYWZFSLOORGBRM-LJQANCHMSA-N 364.247 4.501 0 1 FJAF NCc1ccc([C@@H]2CC[C@]3(C2)NCCc2c(Cl)cc(Cl)cc23)cc1 963110494 QAUDENGTUOTVMV-FOIQADDNSA-N 361.316 4.761 0 1 FJAF O=C(c1ccc(-c2ccc3nc[nH]c3c2)s1)c1cc(F)c(F)c(O)c1F 1857653288 PPTPKIIVWBVPJA-UHFFFAOYSA-N 374.343 4.645 0 1 FJAF Fc1ccc(Nc2cc3nc(-c4cccc(C(F)(F)F)c4)[nH]c3cn2)nc1 1857762616 ZKUZCAPSWNOFJD-UHFFFAOYSA-N 373.313 4.921 0 1 FJAF COc1ccc(-c2nc(Nc3cccc([N+](=O)[O-])c3)c3ccccc3n2)cc1 5658305 NYFSBSYMSVXEFA-UHFFFAOYSA-N 372.384 4.957 0 1 FJAF CC(C)CCN1CCc2nc(-c3ccccc3)c3c(c2C1)CO[C@H](C)C3 7991977 AIXQLNDNGJLHFO-QGZVFWFLSA-N 350.506 4.614 0 1 FJAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C 13523238 ARDZHBGLAMKFGJ-IXKJSCDLSA-N 356.293 4.511 0 1 FJAF O=C1[C@H]2CCCC[C@H]2C(c2cccc(Cl)c2)=NN1Cc1ccccc1 26508198 HPBQZWUNIXOGTG-MOPGFXCFSA-N 352.865 4.893 0 1 FJAF CCc1c(O)nc(SC(C)C)nc1C(=O)c1cccc2ccccc12 28635242 PRRIWHOBJKOZBB-UHFFFAOYSA-N 352.459 4.629 0 1 FJAF OCC[C@@H]1CC(c2cn(-c3cccc(C(F)(F)F)c3)c3ccccc23)=NO1 66075547 GCETYSUVFZPOSZ-OAHLLOKOSA-N 374.362 4.525 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185828 FDZFSSAKJUXANR-OAHLLOKOSA-N 369.488 4.822 0 1 FJAF CCCCN(C(=O)c1ccccc1Cl)c1nnc(-c2cccnc2)s1 84604304 YZGUZKGZACMNFH-UHFFFAOYSA-N 372.881 4.700 0 1 FJAF CC(=O)O[C@@H]1C[C@@]2(C)C(C(=O)O)=CCC[C@@H]2[C@@](C)(CCc2ccoc2)[C@@H]1C 85693070 WVFCUDNKYBYAQX-HRLOXLBDSA-N 374.477 4.617 0 1 FJAF CC(C)(C)[C@@]1(c2ccccc2)OCC[C@@H](CCNCc2ccccc2)O1 95554519 YSBUGXUYZXDSGC-GGAORHGYSA-N 353.506 4.871 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](OC(=O)N(Cc1cccs1)c1ccccc1)C2 101152310 VSHUCQXNUSYTML-PIIMJCKOSA-N 356.491 4.517 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCN2CCc3ccccc3C2)CC1 103283884 ZPIPOBYWEXESSF-MSEWRSJXSA-N 358.526 4.518 0 1 FJAF O=CNc1cc(C(=O)O)cc(SCc2ccccc2)c1-c1ccccc1 169343299 NMNMTHOIMIGNEG-UHFFFAOYSA-N 363.438 4.912 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@H]2CC[C@H](OC(=O)C=C(C)C)[C@H](C)[C@@]12C 238773815 LVEQJEMTPJQUOC-PVSDOEOMSA-N 374.477 4.679 0 1 FJAF CC(=O)OC[C@H]1C=C(C)[C@@]2(C)C(C)=CC[C@H](OC(=O)C=C(C)C)[C@]2(C)C1 238781236 KKLZNIQYCOGUJF-BLKABHOGSA-N 360.494 4.756 0 1 FJAF CC1=C[C@@H](O)[C@H](C(C)C)[C@H](OC(=O)c2ccc(O)cc2)CC(C)=CCC1 253916096 XUVXBQLHPFQADG-NJYVYQBISA-N 358.478 4.627 0 1 FJAF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2C3=CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 299845677 IVNWMYBVYAJPRM-OMTSXFOYSA-N 373.581 4.828 0 1 FJAF CC(C)Nc1c[nH]nc1-c1nc(-c2ccc(Oc3ccccc3)cc2)no1 299865103 NEJFOZWCGFPPQE-UHFFFAOYSA-N 361.405 4.739 0 1 FJAF CC(=O)[C@@H](c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2)C(C)(C)C 586990358 DGKMZQMKBITWHP-NRFANRHFSA-N 359.425 4.871 0 1 FJAF Clc1ccccc1-c1cc(-c2nc3cncnc3[nH]2)c2ccccc2n1 587060483 NOUOAMRTMAZRCZ-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF Cc1nn(-c2ccc(Cl)cc2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587075783 MDFYRTYRDFVCLK-UHFFFAOYSA-N 362.742 4.795 0 1 FJAF COc1cncc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587097140 LSALBOKQXXZALC-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]([C@@H]1CCOC1)CC4)-c1ccccc1C2=O 587102244 UHUFFBYJFGETON-JKSUJKDBSA-N 369.464 4.896 0 1 FJAF Cc1c(-c2cc3c4c(cccc4n2)CC3)sc2c1C(=O)N/C(=C/Cl)N2 587359656 IGUBVHFNLIZGML-ZSOIEALJSA-N 367.861 4.563 0 1 FJAF C[C@@]1(Cc2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372645 FSZDCBNBXFTSNC-FPOVZHCZSA-N 368.429 4.953 0 1 FJAF Cc1ncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)s1 587379604 YYCIFJJKKJUROE-QUCCMNQESA-N 369.417 4.571 0 1 FJAF CCCc1cc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)ccc1OCC 587440246 FMDVZLJJDVWVPE-VGOFRKELSA-N 352.430 4.535 0 1 FJAF CCc1cccc([C@]2(c3ccccc3)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587444714 GHZLPHBCQGXUEL-BWKNWUBXSA-N 370.448 4.949 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCCC[C@@H]1C(=O)OCC)CC2=O 587477876 HQNBZLYEUXWOHD-VGSWGCGISA-N 374.477 4.582 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1csc(-c3ccccn3)n1)CC2=O 587497508 WUZYDNXMXFEDFF-GOSISDBHSA-N 366.442 4.570 0 1 FJAF CSC(C)(C)C[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587840104 JMCUEXRWDRXQHB-HWPZZCPQSA-N 360.336 4.869 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2sccc2Cl)N1 587841762 CJLBBBCMHILBRG-WPPNPWJKSA-N 360.679 4.927 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2ccsc2)N1 587854105 PUKKRQRUADKPJA-HWPZZCPQSA-N 354.288 4.642 0 1 FJAF Cc1cc(C)c(/C=C2\C(=O)Nc3cc(-c4cnc5ccccc5n4)ccc32)[nH]1 653762363 JDSBQROSBHQSSC-BOPFTXTBSA-N 366.424 4.734 0 1 FJAF Cc1sc2c(c1C)CCN[C@@]21CCc2ccc(OC(F)(F)F)cc21 963004304 BTPRIQMSCSVCHI-QGZVFWFLSA-N 353.409 4.599 0 1 FJAF Cc1nc(-c2ccc(F)cc2)sc1COc1ccc(CCC(=O)O)cc1 1857621538 XEWIPFRGNCBHPD-UHFFFAOYSA-N 371.433 4.854 0 1 FJAF CCCCOc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857655583 IGIHARQGIWDWGP-UHFFFAOYSA-N 354.402 4.656 0 1 FJAF CC(C)CNC(=O)/C=C/C=C/CCCC/C=C/c1ccc2c(c1)OCO2 13838501 RPOYGOULCHMVBB-ADDDGJNWSA-N 355.478 4.874 0 3 FJAF endogenous,in-man COc1ccc(NC(=O)O[C@@H](CCN(C)C)c2ccc(Cl)cc2)cc1 13684759 JGEPIEFNRYBGEJ-SFHVURJKSA-N 362.857 4.590 0 1 FJAF C/C1=C/C[C@@H](OC(=O)c2ccc(O)cc2)/C(C)=C/[C@@H](O)C(C)(C)CCC1 14441594 JDZBITULCWBIMC-WVWUUFBGSA-N 358.478 4.771 0 1 FJAF COc1ccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)cc1 14975385 XEEJFCRYWIMJSK-UHFFFAOYSA-N 374.400 4.730 0 1 FJAF Clc1ccc(-c2cnc3cc4c(cc3n2)[C@@H]2CNC[C@H]4C2)c(Cl)c1 28527288 DARDPWIATXWZOT-MNOVXSKESA-N 356.256 4.778 0 1 FJAF Cc1nccn1-c1ccc(-c2cccn3c(C)nc(Br)c23)cc1 28763708 UOEKPSANVKMISP-UHFFFAOYSA-N 367.250 4.566 0 1 FJAF CC[C@@]1(c2ccccc2)c2c(F)cccc2NC(=O)N1CC(F)(F)F 36485942 DAGPDAHSXJBBJH-QGZVFWFLSA-N 352.331 4.889 0 1 FJAF O=C(Nc1ccc2c(c1)CCCC[C@H]2O)c1cc2cc(Cl)ccc2[nH]1 40380577 IHMNHFIOUCNDBW-LJQANCHMSA-N 354.837 4.833 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2F)o1 82175748 YZKDZXFGWPOSBW-OKILXGFUSA-N 366.440 4.728 0 1 FJAF CN(Cc1ccccc1)Cc1csc(N)c1C(=O)c1ccc(Cl)cc1 96913286 HWTFUUHETKVPHV-UHFFFAOYSA-N 370.905 4.847 0 1 FJAF CCOC(=O)[C@H]1Oc2ccc(Cl)cc2[C@H](C)c2cc(Cl)ccc2O1 100375427 GIGXYLNNCMPCGM-MUWWLHTESA-N 367.228 4.806 0 1 FJAF in-man COc1c(C(C)C)cc2c(c1OC)[C@]13CCCC(C)(C)[C@@H]1C[C@@H]2OC3=O 100779281 BMUVJFGCCPHXOJ-WCJKSRRJSA-N 358.478 4.893 0 1 FJAF endogenous,in-man COc1cc(-c2ccc3ncnc(Nc4cccc(O)c4C)c3c2)ccc1O 143155673 YUKMSXPRELDPTH-UHFFFAOYSA-N 373.412 4.769 0 1 FJAF CC(C)CCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2ccccc21 200594673 ZRGISGYPZJCFJD-UHFFFAOYSA-N 374.488 4.582 0 1 FJAF O=C(Nc1ncccc1OCc1cccc(F)c1)NC1CCCCCC1 206968168 MVMJMDRXWJMERR-UHFFFAOYSA-N 357.429 4.644 0 1 FJAF CC(=O)OCC1=C2CCC(C)=CCC[C@@]3(C)O[C@@H]3CCC(C)=C[C@H]2OC1 299806799 TXHSJFIFLNLZSW-YPAWHYETSA-N 360.494 4.649 0 1 FJAF Oc1cccc(CCCCc2nc3ccc(Br)c(F)c3[nH]2)c1 586895924 DLIITIKDRMDZBH-UHFFFAOYSA-N 363.230 4.736 0 1 FJAF O=C1c2ccccc2-c2cc([C@H]3CC3(Cl)Cl)nc3ccc(O)c1c23 586987042 YCTFJZSZITYYOU-GFCCVEGCSA-N 356.208 4.813 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)C[C@@H]3c1ccccc1F 586988544 LFGGLALPXOFOTN-OAHLLOKOSA-N 367.379 4.979 0 1 FJAF Cc1nccc2[nH]c(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)nc12 587138453 JHWSUJOQJOLGBG-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF Cc1cnc2[nH]c(-c3ccc(-c4ccc(C(=O)O)cc4C)cc3F)nc2c1 587145405 WBTZUWBNWYIKEN-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF CC(C)CCOc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587257697 JVXOJUSATOADPI-OAHLLOKOSA-N 368.319 4.796 0 1 FJAF Cc1c[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587346917 NZSLEECZXKENKS-UNMCSNQZSA-N 365.404 4.751 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(Br)cc1Cl)O2 587376719 JYUTYZQTSYZHFP-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(Cl)cc(C)cc31)O2 587379811 LDTSCCUPYDBBSZ-FQEVSTJZSA-N 357.837 4.572 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)c(O)cc1F)CC2=O 587466248 MSJQJGIWQYYNMO-QGZVFWFLSA-N 350.773 4.549 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCC[C@@H](n3nc(C)cc3C)C1)CC2=O 587476150 PPFWMULTOUBRIP-OPAMFIHVSA-N 368.477 4.677 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3sc(C)nc3c1)CC2=O 587495379 NXGVETGWZZQGGO-SFHVURJKSA-N 353.443 4.969 0 1 FJAF C[C@@]1(c2cnn(C3CCCC3)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587517799 VKKJLLJHHFORQJ-QFIPXVFZSA-N 350.462 4.758 0 1 FJAF CCC(=O)Oc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587523340 LIJQOZAQPHUGEV-HXUWFJFHSA-N 350.414 4.587 0 1 FJAF COc1cccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587524625 KXPYNEBTETVBFW-OAQYLSRUSA-N 374.440 4.671 0 1 FJAF Cc1nc2ccc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cc2o1 587584918 BZABPJPZTNLUDI-KNQAVFIVSA-N 373.364 4.545 0 1 FJAF CC1(C)C([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600793 CFXIWIWECCKULG-OPAMFIHVSA-N 352.430 4.795 0 1 FJAF CCOc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)ccc1C 587779003 WFVBYQISSHHICZ-UHFFFAOYSA-N 366.646 4.748 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cccnc23)N1 587779324 QWMDVROKPFVREO-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF Cc1cc(C)c(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)c(C)c1 587873911 PHNDAONNZQEYHA-UHFFFAOYSA-N 352.365 4.439 0 1 FJAF COc1cc(C)c(OC)n1CCOc1cc(C)c(Cl)cc1C(C)C 587943179 PIEAXZCEPZVIQP-UHFFFAOYSA-N 351.874 4.978 0 1 FJAF CC[C@]1(c2ccc(C)c(C)c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962772338 VZDVVHCTDYRUAJ-AZUAARDMSA-N 361.407 4.603 0 1 FJAF CCOc1cc(OCC)cc([C@]2(C)c3ccc(F)cc3C[C@H]3CCCN32)c1 963092926 BBUIGALFORFZFY-AUSIDOKSSA-N 369.480 4.907 0 1 FJAF CCC[C@@H](OC)[C@@H]1NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963831726 HSTMDMKYHAQQMC-GGAORHGYSA-N 364.489 4.749 0 1 FJAF N[C@]1(CO)CC[C@H](c2ccc3c(c2)CC[C@@H](CSc2ccccc2)C3)C1 1911585723 LRQMAAXMARQRAB-FRGLQRNOSA-N 367.558 4.541 0 1 FJAF CC(C)(C)OC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1 36387548 IJTVIURYPFOLCT-KRWDZBQOSA-N 357.450 4.747 0 3 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N1CCCC1 28238211 NRVOCEKOSKQIOD-IRXDYDNUSA-N 355.309 4.753 0 1 FJAF O=Nc1c(-c2ccccc2)nc2sc(Cc3noc4ccccc34)nn12 43076941 PUWYKABXWNHGJS-UHFFFAOYSA-N 361.386 4.588 0 1 FJAF CCCCCC[C@@]1(C)NC(=N)NC(=N)[C@@H]1c1ccc(Cl)c(Cl)c1 45209711 IWCHSUVCEDNRLB-WMLDXEAASA-N 355.313 4.911 0 1 FJAF CCCCCN1C(=O)[C@]2(CCCc3cc4c(cc32)OCO4)c2ccccc21 71340934 PZKABQGUVWNWLA-HSZRJFAPSA-N 363.457 4.575 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 103539221 OGIAMTJYHURKCL-LYHOESIGSA-N 351.381 4.677 0 1 FJAF O=C1NC(=O)/C(=C/c2cccc(OCCCc3ccccc3)c2Cl)S1 139446979 AXBWDICYDXVUOR-VBKFSLOCSA-N 373.861 4.676 0 1 FJAF Cc1noc(C)c1-c1ccc2c(c1)[C@](NC(C)C)(C1CCCCC1)C(=O)N2 219462272 NVPQBWHSQMUTRJ-JOCHJYFZSA-N 367.493 4.684 0 1 FJAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)cc4)nc3O)nc2cc1F 587077210 UNIDCNPFFLQEDS-UHFFFAOYSA-N 369.783 4.799 0 1 FJAF CCOC(=O)[C@@H]1c2nc3c(C)ccc4c3c(c2C[C@H]1C)-c1ccccc1C4=O 587097247 JZPZCUIKKZBKAC-ACJLOTCBSA-N 371.436 4.594 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cc(F)c(F)cc2[nH]1 587192680 ZCVRODNUIHARQB-QGZVFWFLSA-N 373.403 4.797 0 1 FJAF O=C(O)c1cc(F)cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c12 587241762 AGTIPZXXUGKTLP-UHFFFAOYSA-N 363.348 4.516 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(C(F)(F)F)cc1)O2 587382309 OTBDHLDKCDUMDX-LJQANCHMSA-N 363.379 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(OCCC(C)C)cc1)O2 587398052 AGSAOVCVUVASEJ-JOCHJYFZSA-N 353.462 4.883 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587422425 PSXCMELDUGOQHO-ORAYPTAESA-N 361.224 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccc(F)c1F)CC2=O 587466070 JMIWRIJNNJQIBF-HNNXBMFYSA-N 352.764 4.983 0 1 FJAF COc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Cl 587510714 ZPWMZUSKSNMAOG-LJQANCHMSA-N 372.848 4.943 0 1 FJAF C[C@]1([C@H]2C[C@H]3CC[C@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600294 ALMVQCIJOIZAQT-FEZTVTASSA-N 350.414 4.549 0 1 FJAF CC(C)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587601305 CNWLKNWGUDYKEY-YOMUGFJLSA-N 352.430 4.939 0 1 FJAF Cc1cccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587728222 RNVATCKDUGXQGP-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccccc23)N1 587831040 VMOUWOGRPARKRZ-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF CCc1nn2cc(-c3nc4ccc(OC5CCCCC5)cc4o3)nc2s1 653684769 NJCPBWSOCCVXPR-UHFFFAOYSA-N 368.462 4.873 0 1 FJAF COc1ccc(CCC2CCN(CCc3ccc(OC)cc3)CC2)cc1 653820975 CJQBGGMZHPDTBN-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF Cc1nc(-c2ccccc2)[nH]c1[C@@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963109070 YRYQXKWFDFABCQ-WZONZLPQSA-N 361.464 4.808 0 1 FJAF CCN(c1cnc(C(=O)O)cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C 1857542760 IOUOLCFRWHTJBJ-UHFFFAOYSA-N 367.493 4.990 0 1 FJAF COc1cccc([C@@H](O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)c1 61907472 IAOCUERMDDMFSD-MRXNPFEDSA-N 365.376 4.919 0 3 FJAF CCNC(=O)NC(=O)[C@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 1549412 UCJASZOKKRTZRQ-CYBMUJFWSA-N 357.281 4.503 0 1 FJAF CN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccc4ccccc4c3c12 13741139 HPUSLEQBUFQORT-BVZFJXPGSA-N 368.480 4.963 0 1 FJAF COc1cc2c(cc1OCc1ccccc1)CCN[C@@H]2Cc1ccccc1 29313856 CEXJLJZSVFHBKS-JOCHJYFZSA-N 359.469 4.704 0 1 FJAF O=C(Nc1ccc2nc(C3CC3)cn2c1)c1ccc(-c2ccccn2)cc1 43016210 AQDSANBSLIXFAX-UHFFFAOYSA-N 354.413 4.526 0 1 FJAF O=C(c1ccccc1)[C@H]1C[C@H]1CN1CC=C(c2c[nH]c3ccccc23)CC1 45324248 HSVNEFNKZLUKJI-FPOVZHCZSA-N 356.469 4.776 0 1 FJAF CCCC(=O)Nc1n[nH]c2cc(-c3ccc(O)cc3)c(-c3ccco3)cc12 49124594 XIPSRSJZRHACBD-UHFFFAOYSA-N 361.401 4.934 0 1 FJAF CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 66101310 NBWOPUCRMDNZJI-UHFFFAOYSA-N 362.473 4.677 0 1 FJAF O=C(O)c1cc(-c2ccc(Oc3ccccn3)cc2)nc2ccc(F)cc12 96927282 KBISCPXKHUIRPL-UHFFFAOYSA-N 360.344 4.926 0 1 FJAF CC[C@]12CCCN(C(=O)c3ccc4c(c3)N=CC4)[C@@H]1CCc1ccccc12 100621070 XAZBZJMVVXUUSS-ISKFKSNPSA-N 358.485 4.844 0 1 FJAF COC[C@H]1CCCCCc2c1oc(O)c([C@H](c1ccccc1)C1CC1)c2=O 100916034 VPXXSTZDNSFSTJ-IEBWSBKVSA-N 368.473 4.734 0 1 FJAF CCC(=O)C(CCCCCCOc1ccc(O)cc1Cl)C(=O)CC 138196046 OQZBLYDKNBBFRA-UHFFFAOYSA-N 354.874 4.949 0 1 FJAF Cc1cc(Cl)cc2nc([C@H](N)Cc3cccc(Br)c3)[nH]c12 586983567 DPYUSGONMDZAOY-CYBMUJFWSA-N 364.674 4.530 0 1 FJAF Oc1cccc2nc(COc3ccc4ccccc4c3Br)[nH]c12 587002047 SGUHFYOOFQKZTF-UHFFFAOYSA-N 369.218 4.763 0 1 FJAF Clc1ccc(C2=C[C@@H](c3nc4c(Cl)c(Cl)cnc4[nH]3)ON2)cc1 587075673 GUUSPOOKFJVYIR-NSHDSACASA-N 367.623 4.535 0 1 FJAF Cc1cc(Br)c2[nH]c([C@H]3Cc4cc(Cl)ccc4O3)nc2c1 587079771 GUTPETSONQNKQM-CQSZACIVSA-N 363.642 4.963 0 1 FJAF COc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2n1 587094592 CZBBKIHPJNIWSC-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF CSc1ccc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c2c1 587116103 NMPWFUCWXCVWHR-UHFFFAOYSA-N 360.364 4.914 0 1 FJAF Cn1nc(C(F)(F)F)cc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587118428 PWQWATMRQXFCAR-UHFFFAOYSA-N 372.350 4.561 0 1 FJAF COc1cc2nc(CN(Cc3ccccc3)c3ccccc3)[nH]c2cc1OC 587196768 WRQIZMXYTNTFAK-UHFFFAOYSA-N 373.456 4.787 0 1 FJAF CCCOc1cc2c(cc1[C@@H]1CC(=O)c3cc(C)cc(N)c3O1)CCC2 587400488 PYAUBBVHQUZKTH-NRFANRHFSA-N 351.446 4.561 0 1 FJAF CC[C@@]1(c2ccc(OC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438175 CVVNPEJNDWVKPH-GCJKJVERSA-N 352.430 4.535 0 1 FJAF O=C1C[C@H](c2c(F)c(F)c(O)c(F)c2F)Oc2c1ccc1c2CCCC1 587505523 LQRMQRVLXBLKPZ-GFCCVEGCSA-N 366.310 4.534 0 1 FJAF C[C@]1(c2ccnn2-c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517724 SYHFVCVRJMHGHM-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF CCOc1cc(OC)ccc1[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587527875 ZCZIHDSOZFQOBM-QHCPKHFHSA-N 366.457 4.853 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C(F)F 587558889 XYADKLSGJCRDLQ-LAUBAEHRSA-N 368.335 4.514 0 1 FJAF CSCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587613010 MEPWRRKZZVMSJA-PXNSSMCTSA-N 368.410 4.551 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1F 587713128 BGMMWTXAYIQESC-HUTHGQBESA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cccnc23)N1 587777707 JCTYGMJQEOPXCU-JEOXALJRSA-N 371.253 4.760 0 1 FJAF C/C(=C\c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1)C1CCCCC1 587967556 KYFMCELKFCBMSQ-WYMLVPIESA-N 363.465 4.606 0 1 FJAF Cc1cc2c(cc1F)[C@H](c1ccc(OC(F)F)c(OC(F)F)c1)NCC2 962303137 VDPMAZTXYPVNBU-INIZCTEOSA-N 373.321 4.572 0 1 FJAF CC[C@H](C)C[C@]1(c2ccccn2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962628523 POPSFESJVCOSHI-QQMNAOGKSA-N 368.521 4.655 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cccc([C@@H]2CCO2)c1 962719244 SVGDYZLGJNATAH-WTNAPCKOSA-N 369.505 4.740 0 1 FJAF Clc1ccc(CCN2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)cc1 1857645589 JJCGJDZVONBYDX-KKSHJYNMSA-N 370.968 4.778 0 1 FJAF CC(=O)[C@@H]1[C@@H](O)C[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)C(=O)CC[C@@]45C[C@]35CC[C@]12C 2356440412 AJTJMWNUICROTB-IWNJITSDSA-N 372.549 4.554 0 1 FJAF CC(=O)N[C@@H](c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1 61930472 ADLLROOGIYXEMV-VYENPZKTSA-N 352.434 4.678 0 3 FJAF C=C=C[S@](=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 28007224 TWJIXIMVSAVZGQ-ARTZUXCXSA-N 358.547 4.934 0 1 FJAF C[C@@H](Nc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12)c1ccco1 36382607 PIIKCSLESSIJGZ-CYBMUJFWSA-N 359.385 4.792 0 1 FJAF COc1cccc(CNc2cc(Oc3cccc(Cl)c3)ncn2)c1OC 82067681 HJUJFYCPQVHREU-UHFFFAOYSA-N 371.824 4.552 0 1 FJAF Cc1cc(/C=C/c2cccc(C(=O)O)c2)cc(Cl)c1O[C@H]1CCN(C)C1 84690912 AGTXXBOURCWMAR-DKFQHHCZSA-N 371.864 4.600 0 1 FJAF COC(=O)C(C)(C)[C@H](c1ccc(Nc2ccccc2)cc1)n1ccnc1C 95559701 DAOUUETWFUNFOI-FQEVSTJZSA-N 363.461 4.724 0 1 FJAF C/C(=C\CCc1ccoc1)CC(=O)C[C@@]1(C)CC[C@H]([C@]2(C)CCC(=O)O2)O1 139034957 HSIIPIZSJWLXTE-NMVBHYADSA-N 374.477 4.541 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)c(F)c(F)c2[nH]1 587011598 IQHKOFCOIKIJIF-UHFFFAOYSA-N 370.222 4.913 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(OC(F)(F)F)c2[nH]1 587028553 RIXHEQXEMAOUIY-UHFFFAOYSA-N 364.352 4.889 0 1 FJAF FC(F)(F)c1cccc2nc([C@@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587043386 ZHLFHGINRZXXBX-GJZGRUSLSA-N 363.408 4.528 0 1 FJAF N[C@@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc(Cl)c(F)cc2[nH]1 587113492 LBABEJQVMIGUNG-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF COC(=O)c1cccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c12 587114614 VLFKYPKQMVJKIP-NSHDSACASA-N 362.351 4.715 0 1 FJAF Cc1cncc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)c1 587341347 WDRBCZNVCMSHDC-IRLDBZIGSA-N 363.388 4.509 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(Cc1ccccc1)C1CC1 587602658 KRJJKOWGYLOZAZ-URXFXBBRSA-N 372.420 4.745 0 1 FJAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)F)c(C)n1 587628861 AXHQOXHAFOMTQY-UHFFFAOYSA-N 355.747 4.600 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1-c1nc(-c2ccc3c(c2)OCO3)no1 587632100 FSSNYJCQMUHKHZ-UHFFFAOYSA-N 371.755 4.715 0 1 FJAF Cc1cccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587725582 FDXYSZDQRVULGE-BMLIUANNSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2ccc(-c3nc4nc(Cl)ccc4[nH]3)cc2)cc1OC 587929103 QMCZYZBKUUFBDT-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF CN1N=C2c3cc(O)ccc3O[C@H](c3ccccc3)[C@@H]2[C@H]1c1ccccc1 653865360 RDFGPWJUUHXDJX-MDNUFGMLSA-N 356.425 4.533 0 1 FJAF FC(F)(F)[C@]1(C2=COCCC2)c2ccsc2CCN1Cc1ccco1 962720257 ZLSZWEXKGBSQHP-KRWDZBQOSA-N 369.408 4.851 0 1 FJAF CN1CCc2c(Br)cccc2[C@H]1c1c(F)c(F)cc(F)c1F 963280849 QBWFDGVHDMMCKF-INIZCTEOSA-N 374.175 4.583 0 1 FJAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2cccc(F)c2)=NO1 12477927 GFRUFHJPQIJUFZ-SFHVURJKSA-N 357.772 4.569 0 3 FJAF O=C(c1cc2ccc3cccnc3c2[nH]1)N1CCC(Cc2ccccc2)CC1 20575401 VRAIDRBPAICZMP-UHFFFAOYSA-N 369.468 4.811 0 1 FJAF COc1ccc(CCC=C2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 27330172 ADZPAKWPCSSPEV-UHFFFAOYSA-N 372.420 4.715 0 1 FJAF CN(C)CCNc1cc(-c2ccc(C(F)(F)F)cc2)nc2ccccc12 29480010 VNOPEOQTWXNIPW-UHFFFAOYSA-N 359.395 4.894 0 1 FJAF C[C@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccco1)C(=O)N2c1ccccc1 100033470 CBJSRNNINRMSKX-HTAPYJJXSA-N 374.396 4.602 0 1 FJAF C[C@]12CC(c3ccoc3)(c3ccoc3)[C@@H](c3ccccc31)c1cccc[n+]12 100722088 GMJLUXSIPVIVRM-GOTSBHOMSA-N 354.429 4.759 0 1 FJAF CC1(C)CC2=Nc3cccnc3N[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 104095953 YNSIQICJUHNWPH-IBGZPJMESA-N 363.417 4.682 0 1 FJAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(F)cc3)C2)cc1 169726240 PIGFSLMRERKGQI-QGZVFWFLSA-N 353.422 4.652 0 1 FJAF Cc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)ccc1-c1ccc(C(=O)O)cc1 586880112 MQNLEMUUGMPHPN-UHFFFAOYSA-N 372.380 4.602 0 1 FJAF COc1cccc2c1Cc1c-2nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991550 KXXGOOKMJWEACD-UHFFFAOYSA-N 365.388 4.732 0 1 FJAF COc1cc(O)c2c(c1)Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587108227 ZXUUWZMJERPYMS-UHFFFAOYSA-N 365.388 4.732 0 1 FJAF FC(F)(F)Oc1ccc2c(-c3nc4c(Cl)cccc4[nH]3)n[nH]c2c1 587127363 RFFAQFBXJXWXMA-UHFFFAOYSA-N 352.703 4.658 0 1 FJAF Cc1c(C(=O)c2coc3ccc(Cl)cc23)cnn1-c1ccc(F)cc1 587278709 JIFIEYBNLCZJGE-UHFFFAOYSA-N 354.768 4.950 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(C)c(Br)s1)O2 587410764 PFXDXQYAGZEJIJ-INIZCTEOSA-N 366.280 4.590 0 1 FJAF CCCC[C@@]1([C@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455920 RAGPZELKLDIERO-JIGPKXGUSA-N 358.478 4.577 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(F)cc(F)cc1F)CC2=O 587467220 RNWHWSXWHCYTNS-IBGZPJMESA-N 350.336 4.643 0 1 FJAF CCc1c(C)[nH]c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587587682 HJKQBBNHVDRZGY-PGRDOPGGSA-N 363.413 4.602 0 1 FJAF Cc1c(F)ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1F 587717333 FWDTYJIHIJHZLL-CQLKUDPESA-N 370.212 4.798 0 1 FJAF COc1cccc(CCCCCCCCN2CCC[C@H](OC(C)=O)C2)c1 653702423 LNCDQARJXWKHNB-QFIPXVFZSA-N 361.526 4.606 0 1 FJAF Brc1ccc2c(c1)[C@@H]([C@H]1CCc3ccccc3C1)NC1(CC1)C2 961329109 XKPCNLVXEJNBKL-OXJNMPFZSA-N 368.318 4.974 0 1 FJAF c1ccc(Sc2ccc([C@@H]3NCCc4nc5ccccn5c43)cc2)cc1 962981041 DCGJVGSMCPHNPJ-NRFANRHFSA-N 357.482 4.721 0 1 FJAF CO[C@@H]1Cc2ccccc2C2(CCC(N(C)CC3CCCCC3)CC2)O1 1857598025 MBRMOGQHSBUGKH-APKLWFBNSA-N 357.538 4.882 0 1 FJAF CC1=C[C@@H]2C(C)(C)CC(=O)[C@]2(C)[C@H](COc2ccc3ccc(=O)oc3c2)C1 2356760153 FUBRDSMBDLGQMF-XKDCRVNJSA-N 366.457 4.760 0 1 FJAF CC(=CC(=O)O)CC[C@H]1[C@@]2(C)CCCC(C)(C)[C@@H]2CC[C@@]1(C)OC=O 2356855215 RAPGMQQTEPEGFO-IDPBPBMLSA-N 350.499 4.972 0 1 FJAF CC(C)N(Cc1nc(-c2cccs2)no1)C(=O)c1cc2ccccc2o1 2382244769 ODVVYGPPFUOYPT-UHFFFAOYSA-N 367.430 4.595 0 1 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2cccc3ccccc23)O1 95569456 JBXRZDALEHREMW-KUHUBIRLSA-N 366.486 4.807 0 3 FJAF CC(=O)O[C@@H]1CC2(N(C)C)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 28863159 TWABYZAIMLYBQR-LXDQLMLUSA-N 363.501 4.600 0 1 FJAF Cc1ccc(Nc2nc(C)cc(NCc3ccc(-n4ccnc4)cc3)n2)cc1 45196309 JOXBCKBLJFDENQ-UHFFFAOYSA-N 370.460 4.635 0 1 FJAF Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCN(C)CC5)cc34)[nH]c2c1 66066396 QDHNXQVLJYGUNC-UHFFFAOYSA-N 359.477 4.526 0 1 FJAF c1cc(OC2C[C@H]3CC[C@H](C2)C3)c2nc(-c3nnc4ccccn34)ccc2c1 100631654 PADREQKUUXIWHG-HOTGVXAUSA-N 370.456 4.902 0 1 FJAF Cc1nn(-c2ccccc2)c2nc(S)nc(-c3ccc(Cl)cc3)c12 103223217 NAXLUOZJKQWLRT-UHFFFAOYSA-N 352.850 4.733 0 1 FJAF CC1(C)c2ccc(N3CCCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114802463 PPMCRTHTLJNVRO-UHFFFAOYSA-N 355.441 4.510 0 1 FJAF C[C@@H](c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N(C)C 164941559 QOZYMUQOKYGGAL-LBPRGKRZSA-N 364.470 4.738 0 1 FJAF CCOC(=O)COc1ccc2c(c1)CCc1c-2ccc2c1CCC2(C)C 169344168 JQDJHRDMGUVCOV-UHFFFAOYSA-N 350.458 4.618 0 1 FJAF Fc1ccc(OCCCn2c3c(c4cc(Cl)ccc42)CNCC3)cc1 169350511 JFXPNMLRCWCZEB-UHFFFAOYSA-N 358.844 4.549 0 1 FJAF CCO[C@H](C)c1nc(C)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)s1 587014898 SYFWYWYSENPTGI-SSDOTTSWSA-N 357.266 4.794 0 1 FJAF FC(F)(F)c1ccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c2c1 587043105 YDWLLYGTMLLGFB-HZPDHXFCSA-N 363.408 4.528 0 1 FJAF Oc1c(Br)ccc2nc([C@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587152303 LOARNBNBLSZQJD-IUCAKERBSA-N 365.177 4.580 0 1 FJAF O=C(CCc1nc2cc(C(F)(F)F)c(F)cc2[nH]1)c1ccc(F)cc1 587163380 QBVHGALWGSQXGN-UHFFFAOYSA-N 354.278 4.675 0 1 FJAF Oc1nc2cc3[nH]c(-c4sccc4-c4ccc(F)cc4)nc3cc2[nH]1 587165233 NEEFRGRWKPYYOK-UHFFFAOYSA-N 350.378 4.679 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccn1)(c1ccccc1Cl)O2 587378775 PRGAANSKDYNEEZ-OAQYLSRUSA-N 364.832 4.535 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1)(c1ccc(F)cc1)O2 587383757 FZTHSVURQKLCJP-HSZRJFAPSA-N 361.416 4.820 0 1 FJAF COc1ccc(Cc2ccccc2)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587401419 XVVHIKSNJCVARM-QHCPKHFHSA-N 373.452 4.883 0 1 FJAF COc1cccc([C@@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587402444 CUJADLZCQVMBEB-DEOSSOPVSA-N 373.452 4.803 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCOc3c(CC)cccc31)CC2=O 587491838 QBJHVSWWEHFDML-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF O=C1C[C@@H](c2c[nH]nc2-c2ccc(F)cc2)Oc2c1ccc1c2CCCC1 587506253 JQFIOPOTFQNSBM-FQEVSTJZSA-N 362.404 4.801 0 1 FJAF Cc1ccc(F)c([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587557884 POVZWYQPDLQXSJ-SIKLNZKXSA-N 364.372 4.717 0 1 FJAF COC(=O)C(=O)c1c(-c2ccc(Cl)c(Cl)c2)[nH]c2cccc(F)c12 587632741 JYDCMLXFTZJYMP-UHFFFAOYSA-N 366.175 4.637 0 1 FJAF Cc1cc([C@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(C)o1 587825918 CAPZJPFLLXZCQI-XYZCENFISA-N 352.247 4.596 0 1 FJAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)oc1C 587826951 HELCEMFDBBIATD-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF O=C(CCN1CCC(Cc2ccc(F)cc2)CC1)c1c[nH]c2ccccc12 1772570420 VCUBMZNMRSDYHD-UHFFFAOYSA-N 364.464 4.835 0 1 FJAF O=C(CCCc1ccccc1)O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1 1772596779 SGPYTNWDWFYFGF-FQEVSTJZSA-N 368.864 4.844 0 1 FJAF CC(C)CN1CCc2cccc3[nH]cc(c23)[C@@H]1c1ccc(/C=C/C(=O)O)cc1 1857601038 FJOTVKIMZYPXQE-DDVUFSRBSA-N 374.484 4.869 0 1 FJAF O=C(Oc1cc(Cl)ccc1Cl)c1cc2cc(Cl)ccc2oc1=O 1857645727 ZPZAXZFGQUGOPT-UHFFFAOYSA-N 369.587 4.972 0 1 FJAF COC(=O)C[C@@H]1CCCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)C1 13685714 GSTUITBFYBSFBA-OAHLLOKOSA-N 352.430 4.653 0 1 FJAF CCN(CC)CCCN1CC=C2C(=C(c3ccccc3)c3ccccc32)C1 39223512 JVUOSBPMBYBDSJ-UHFFFAOYSA-N 358.529 4.933 0 1 FJAF c1ccc2[nH]c(Oc3ccc(OCCN4CCCCCC4)cc3)nc2c1 40919151 ZDSPTXNJRKVNMY-UHFFFAOYSA-N 351.450 4.610 0 1 FJAF O[C@H](c1ccccc1)c1nccc2c1[nH]c1ccc(Br)cc12 84670621 FUINDJPWTVFMGF-GOSISDBHSA-N 353.219 4.560 0 1 FJAF biogenic CCCCCCCN=C1CC(C)(C)[C@@H](C(=O)OC)C(O)=C1C(=O)CCC 85868116 PBVPIPJBGAESIG-GOSISDBHSA-N 365.514 4.798 0 1 FJAF biogenic O=C1C[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@@H]2N1 96929573 FLOVARDSPJUOHV-PCCBWWKXSA-N 368.908 4.714 0 1 FJAF CCCCOc1ccc(-n2c(=O)c(CCCC)c(O)c3cccnc32)cc1 100814663 YGCONDOHLJOSMC-UHFFFAOYSA-N 366.461 4.613 0 1 FJAF C[C@H](CN1CC[C@@]2(C)c3ccc(O)cc3C[C@H]1C2(C)C)Oc1ccccc1 103019947 LMKGEGFYXCALHV-UWSIMGETSA-N 365.517 4.774 0 1 FJAF O=C(O)c1csc(-n2nc(-c3ccccc3)c3oc4ccccc4c32)n1 103249834 RVZHDDCNBFOJJW-UHFFFAOYSA-N 361.382 4.593 0 1 FJAF CCOC(=O)/N=c1/sc(C(C)C)cn1-c1cccc(C(F)(F)F)c1 103293712 YXDGOPGSJTUDFS-XSFVSMFZSA-N 358.385 4.738 0 1 FJAF O=C(O)c1cccc2c1oc1c(C(=O)O)ccc(-c3ccccc3F)c12 140088256 YVAKKZLRDUSNPI-UHFFFAOYSA-N 350.301 4.789 0 1 FJAF CC[C@H](N)c1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 150196949 AKQZETDWLRAYLX-HNNXBMFYSA-N 364.470 4.828 0 1 FJAF C[C@@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1 166026584 ZZOWQPSBJUXHCA-LLVKDONJSA-N 358.854 4.741 0 1 FJAF CCCCC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 299867722 YONMFMTXEOLUIW-MRXNPFEDSA-N 350.934 4.637 0 1 FJAF CC(C)Oc1cc2nc(-c3occ4c3CCC4)[nH]c2cc1Br 586905063 GECNXKRKHONGJT-UHFFFAOYSA-N 361.239 4.861 0 1 FJAF Cc1ccc(SCc2nc3cc(Br)c(C)nc3[nH]2)c(C)c1 586964195 YCPVCWAQMUUDDW-UHFFFAOYSA-N 362.296 4.938 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@@H](C(F)F)C3 586987433 WBXGWRRUTDNBQX-SNVBAGLBSA-N 351.352 4.522 0 1 FJAF Cc1c(Cl)ccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586994771 BYGWQQPZRNUGGV-UHFFFAOYSA-N 364.674 4.942 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cncc(Br)c2[nH]1 587062525 UUPKRXWGYVEZOY-GFCCVEGCSA-N 366.646 4.904 0 1 FJAF COc1cc(Cl)ccc1-c1nc2ccc(F)c(Br)c2[nH]1 587065954 AARHRRNOXORQTJ-UHFFFAOYSA-N 355.594 4.794 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3cc4ccccc4c(Cl)n3)[nH]c2c1 587086166 VHVZVBFXMKNJRB-UHFFFAOYSA-N 365.820 4.537 0 1 FJAF FC(F)(F)c1ccc(C(F)(F)F)c(-c2nc3c(Cl)ncnc3[nH]2)c1 587093549 OPJUABUSGLOLEN-UHFFFAOYSA-N 366.652 4.711 0 1 FJAF Fc1cc2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2cc1-n1cccn1 587098054 QCVQKEVISWTDGU-UHFFFAOYSA-N 364.277 4.713 0 1 FJAF Cn1nc(-c2ccc(F)c(F)c2)cc1-c1nc2cc(F)c(Cl)cc2[nH]1 587147085 FBMJHZBYQDAFJL-UHFFFAOYSA-N 362.742 4.701 0 1 FJAF C[C@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356750 RMKGNBOELMGJIJ-JTHBVZDNSA-N 362.400 4.892 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CC=C2Cl)N1 587702647 DTXSWCLSLALCFJ-HWPZZCPQSA-N 354.650 4.566 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H]2CCCF)N1 587717229 KTNXUWSHANGVCU-NDGTYSDOSA-N 358.270 4.868 0 1 FJAF COc1cccc(C)c1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805261 FCLGQICMKYFSAD-BBATYDOGSA-N 364.258 4.529 0 1 FJAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)o1 587827881 MCOSVHJKEBKYGR-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(Cl)cs2)N1 587850141 XJCVILXUBVMGNV-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF C/C(=C/c1nc2cc(I)cnc2[nH]1)C1CCCCC1 587966347 CQTJZLNCZIRMAY-YFHOEESVSA-N 367.234 4.546 0 1 FJAF CN=c1[nH]c(-c2cccc(Cl)c2)c(-c2ccc3ncccc3n2)s1 1857760836 AKMXABGACKXAHI-UHFFFAOYSA-N 352.850 4.537 0 1 FJAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc3ccccc3c2)O1 95602014 LXZAAEFPJWNERV-LPHOPBHVSA-N 366.486 4.807 0 3 FJAF COc1ccc([C@H]2[C@@H](c3ccc(C)cc3)C[C@@H]3CC[C@H]2N3C)cc1OC 13676213 UBUINJQFQXKDNL-VAWZGJIGSA-N 351.490 4.746 0 1 FJAF O=[S@](c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1)C(F)(F)F 28220206 QSZRZIJVHPBXHB-VWLOTQADSA-N 372.318 4.649 0 1 FJAF O=c1c2cc(F)c(-c3ccc(F)cc3)cc2n(C2CC2)c2snc(O)c12 28571102 JAWPNZIFCXTZDM-UHFFFAOYSA-N 370.380 4.597 0 1 FJAF CCCNc1cc(-c2ccccc2Cl)nc2c(Br)cnn12 28959060 KMLUVSGZYOUCAX-UHFFFAOYSA-N 365.662 4.634 0 1 FJAF CC(C)(C)c1cccc(OC(=O)N2CCc3c([nH]c4ccc(O)cc34)C2)c1 95593353 IFYAMRAHDMRWCG-UHFFFAOYSA-N 364.445 4.728 0 1 FJAF C[C@@H]1CN(C(c2ccccc2)c2ccccc2)[C@H](Cc2ccccc2)CN1 96270771 YMPROSRVUQJLNK-HYBUGGRVSA-N 356.513 4.681 0 1 FJAF Cc1cccc(NC(=O)c2cc(Cl)cc(Oc3cncc(F)c3)c2)n1 96939149 AGDUASOAFRXTRF-UHFFFAOYSA-N 357.772 4.622 0 1 FJAF CC[C@@H](C)c1cc2cc(OC)c(Cl)cc2n1Cc1cccc(C(=O)O)n1 169701333 BDCCHFGQWVYVDB-GFCCVEGCSA-N 372.852 4.958 0 1 FJAF Cc1cc(Br)ccc1OCc1nc2c(C)cnc(Cl)c2[nH]1 586981025 JJZNQXBFFQTOHO-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF CNc1ccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)cc1N 587104765 VTGQCSPLAAMKBY-UHFFFAOYSA-N 351.409 4.737 0 1 FJAF OCCc1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126230 WJOJDEQIYYAVOJ-YWEYNIOJSA-N 364.392 4.880 0 1 FJAF Nc1cc(-c2nc3ccc(Br)c(F)c3[nH]2)c2ccccc2c1 587251491 GFKDKZIRFYSSPC-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF CCCOc1ccc2[nH]cc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)c2c1 587397144 TXSRXNAPSDSVQE-HXUWFJFHSA-N 350.418 4.554 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1OC(C)C)[C@@H](C2)C3=O 587417667 DWCVBWGLWKTWNH-YWZLYKJASA-N 358.821 4.625 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(SC(F)(F)F)c1)[C@@H](C2)C3=O 587418602 ABXAAEKBATWPCK-SUMWQHHRSA-N 366.360 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)cccc1N1CCCC1)CC2=O 587464860 BRSSIWODEZIVRO-FQEVSTJZSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)[nH]c3ccc(F)cc13)CC2=O 587469518 ADDGSYQNERBURN-LJQANCHMSA-N 353.393 4.980 0 1 FJAF CCN(CC)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587503698 HRVPSYMHAKPIPO-JOCHJYFZSA-N 365.473 4.824 0 1 FJAF O=C1C[C@@H](c2ccc(N3CCCCC3)nc2)Oc2c1ccc1c2CCCC1 587516168 ZFCLPQRQINCWLN-NRFANRHFSA-N 362.473 4.657 0 1 FJAF CCc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615993 YIITVTGFWCIJRV-RXVVDRJESA-N 366.438 4.893 0 1 FJAF COc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1C 587804062 AHBWBPVSCGYENP-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 587872277 SRFCMGPIQGFUQL-VQIMIIECSA-N 356.441 4.967 0 1 FJAF COc1cccc(Cc2nc3cc(Br)cc(Cl)c3[nH]2)c1 587930420 HZSWWXJPWQMGAA-UHFFFAOYSA-N 351.631 4.578 0 1 FJAF COc1ccc2c(c1OC)[C@H](c1cnc(C3CCCC3)s1)N(C)[C@@H](C)C2 962639224 VNQRZAITEUHEHY-DJJJIMSYSA-N 372.534 4.784 0 1 FJAF COc1ccc(-n2cc(COc3ccc(-c4ccccc4)cc3)nn2)cc1 1772586009 KPISOIQATJXSPS-UHFFFAOYSA-N 357.413 4.522 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@H](F)c2cccc(F)c2)CC1 1857558991 PWYOWTVTNKWSTQ-NRFANRHFSA-N 372.459 4.744 0 1 FJAF CC1(C)OC[C@H]([C@]2(C)CC[C@@]3(C)[C@@H]4[C@H](O)CC[C@@]5(C)C[C@]45CC[C@@H]3C2)O1 2356562417 SKELSLCGYZIGFV-GQSZWKOXSA-N 362.554 4.912 0 1 FJAF CC=C(C)[C@@H](O)[C@@H](C)C=C(C)C=CCC(C)=CCc1oc(O)cc(=O)c1C 2356696618 HYVNIEZADUZXIB-FDDCHVKYSA-N 372.505 4.998 0 1 FJAF CCN(C(C)=O)c1ccc(Cc2ccc(CCN)cc2C)cc1C(C)C 2382256452 CEKSPEFUSOTCAC-UHFFFAOYSA-N 352.522 4.583 0 1 FJAF Fc1cccc(-c2cc3c(Nc4ccc5c(c4)OCCO5)nccc3[nH]2)c1 74386886 OJDPYDNMACGAPW-UHFFFAOYSA-N 361.376 4.884 0 3 FJAF CC1(C)OC(=O)C2=C(C[C@@H](CCc3ccccc3)O[C@H]2C2CCCC2)O1 95569811 FDAAGLJKXPHDKL-XLIONFOSSA-N 356.462 4.531 0 3 FJAF O=[S@@](Cc1ccccc1)c1nc2ccccc2nc1-c1cccs1 6575271 PYHGYMDSADRIIM-XMMPIXPASA-N 350.468 4.666 0 1 FJAF COc1cc2c(=O)c(OC)c(-c3ccccc3)oc2c2c1OC(C)(C)C=C2 13485082 HIMWSGBRGFKFJN-UHFFFAOYSA-N 364.397 4.661 0 1 FJAF biogenic,in-vitro O=S(=O)(c1ccccc1)N1N=C2CCCC[C@@H]2[C@H]1c1ccc(Cl)cc1 58602659 RZDDIZYQUPEAAW-PKOBYXMFSA-N 374.893 4.632 0 1 FJAF CN(C)C(=O)c1ccc(-c2cc3c(Nc4ccccc4)nccc3n2C)cc1 74386851 LXGNBLKPWSPIFO-UHFFFAOYSA-N 370.456 4.686 0 1 FJAF COc1cccc(CCN2CCC(CCc3ccccc3OC)CC2)c1 218834281 OZOOFFIDFPCKNJ-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF O=C(O)[C@H](CC(=O)C1(S)CCCC1)Cc1ccc(-c2ccccc2)cc1 219763785 YQNCAIMXIRNLHN-IBGZPJMESA-N 368.498 4.799 0 1 FJAF CC1(C)CC(=O)c2ccc(OCc3ccc(Br)cc3)cc2O1 386115380 QYAUTLKMORTFCU-UHFFFAOYSA-N 361.235 4.772 0 1 FJAF CCOC(=O)c1ccc2nc(-c3ccccc3-c3ccc(O)cc3)[nH]c2c1 586897947 AYXATWTWGXZBFD-UHFFFAOYSA-N 358.397 4.779 0 1 FJAF CC[C@@H](Sc1nc(C)cc(O)n1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586963442 NWWZAEJECPYYSR-LLVKDONJSA-N 369.277 4.917 0 1 FJAF Clc1ccccc1-c1cc(-c2nc3ncc[nH]c-3n2)c2ccccc2n1 587060287 JWMSEFCOJLEXAP-UHFFFAOYSA-N 357.804 4.840 0 1 FJAF COc1ccc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c(Cl)n1 587083808 NFAZMULQTYNYBM-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF CCOC(=O)[C@@H]1CC[C@@H](C)c2c1nc1cccc3c1c2-c1ccccc1C3=O 587106642 MPIUMTSAYYLCEO-CXAGYDPISA-N 371.436 4.990 0 1 FJAF O=C(O)c1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128784 QKHWDLWTCZKFBL-UHFFFAOYSA-N 371.368 4.989 0 1 FJAF COc1cc2nc(/C=C/c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587133928 FHNRZDMXYSCVPI-NSCUHMNNSA-N 358.241 4.577 0 1 FJAF Cc1ccoc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587347253 ATDLSIFYHOGZNY-NQIIRXRSSA-N 352.361 4.707 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c1ccc(Cl)c3Cl)O2 587380441 UTOWLQZYGQVRLU-SFHVURJKSA-N 364.228 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(OC(F)(F)F)c(Cl)c1)O2 587382836 OYGFCTBOHAVLCF-OAHLLOKOSA-N 371.742 4.836 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)ccc1C(F)(F)F)[C@@H](C2)C3=O 587420241 JGAFXDHCDCANHG-SJCJKPOMSA-N 368.738 4.856 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(Br)c1)CC2=O 587456695 AIDOLSTZDFDTSH-QGZVFWFLSA-N 361.235 4.814 0 1 FJAF Cc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587725537 QUZKEUGYPVMSAX-BTDLBPIBSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](CCCc2ccccn2)N1 587772888 PLZVSPQGPURQRR-KZULUSFZSA-N 363.274 4.581 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]3CC[C@H]2C3)N1 587819148 LJLAMZPFVKMURF-XNAUFCNNSA-N 352.291 4.774 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccnc2ccccc12 587867786 BAOZTKUNVFJJJN-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)CC1 587950201 AEHPAHYOCONPAI-UNXYVOJBSA-N 374.378 4.799 0 1 FJAF CCCn1c(-c2ccco2)nc2c(NCCCc3ccccc3)ncnc21 653812635 KWEBXLGAMBZZSQ-UHFFFAOYSA-N 361.449 4.541 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(CC1OCCO1)C1CCCCC1 963223810 DFWAWNFIAIMZED-JPYJTQIMSA-N 357.538 4.882 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]2(c1cc(F)ccc1C)C(F)(F)F 963269035 DMBOWSSKDIIKKK-QGZVFWFLSA-N 373.777 4.748 0 1 FJAF CCOc1ccccc1C[C@H]1CN(Cc2ccc(Cl)cc2)CCCO1 1772577550 GQMISPKLZVOONX-FQEVSTJZSA-N 359.897 4.572 0 1 FJAF ClC1=C(Cn2cc(C3CC3)nn2)CCc2nc(-c3cccs3)ccc21 1857568470 CGDPFIMVRVCKEC-UHFFFAOYSA-N 368.893 4.875 0 1 FJAF COc1cccc(NCc2ccc(CNc3cccc(OC)c3)s2)c1 1857573599 FTXJTGCEWXJZAR-UHFFFAOYSA-N 354.475 4.990 0 1 FJAF Clc1ccc2c(CN3CCC4(CC3)OCCc3sccc34)c[nH]c2c1 1857771515 OQEZINMRLMZWRM-UHFFFAOYSA-N 372.921 4.947 0 1 FJAF CCCCCCC1=NO[C@@H](c2ccc(F)cc2Cl)[C@H]1C(=O)N(C)C 4295625 HHODYQZOCMVWFE-IRXDYDNUSA-N 354.853 4.581 0 1 FJAF CC(C)(C)c1cc(-c2nnc(SCCN)s2)cc(C(C)(C)C)c1O 13796293 AKGGOFKXDGINAT-UHFFFAOYSA-N 365.568 4.557 0 1 FJAF CCCCN[C@H](c1ccc(O)cc1)[C@H](NCCCC)c1ccc(O)cc1 39283061 DKBDIHXAMHKFKL-FGZHOGPDSA-N 356.510 4.660 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@H]3[C@H](CC[C@]4(C)[C@@H](O)CC[C@H]34)[C@@]1(C)C2 40492371 ZRESSCVMJGYKHQ-JKIJMZBWSA-N 354.490 4.577 0 1 FJAF C[C@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@@H]1C2=O 40499212 HCSCBGKMVNYQNJ-SZMVWBNQSA-N 371.546 4.897 0 1 FJAF CCOC(=O)[C@@H](C)Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1 40835872 YAQGSLNNQIOOHS-GFCCVEGCSA-N 365.886 4.534 0 1 FJAF O=C(NCCCc1ccccc1)c1cc(-c2ccc3ccccc3c2)on1 72170992 PSSGBGPGIWZUAW-UHFFFAOYSA-N 356.425 4.857 0 1 FJAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@@H](C)C3)ncc2-c2ncc(C)o2)c1 82173376 LZFOQMYXTKOSTE-IYBDPMFKSA-N 362.477 4.898 0 1 FJAF CCOc1ccc(-c2cnc(N)c(C(=O)c3ccc(Cl)cc3)c2)cc1 96285671 PJHSLGPTUQHJCV-UHFFFAOYSA-N 352.821 4.614 0 1 FJAF O=C(N(c1ccccn1)c1ccccn1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 101581861 YOPRVBOLIGBAHF-RKAKKKFESA-N 367.880 4.719 0 1 FJAF CCCCc1cc(CC)c(O)cc1OCCCCCC(C)(C)c1nnn[nH]1 103263476 GENMASFTMJUCRL-UHFFFAOYSA-N 374.529 4.727 0 1 FJAF Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)Nc3ccc(C)cc3)[C@H]3C=C[C@H]2CC3)cc1 106594434 BWLIEAZBZIXWPK-GPHNJDIKSA-N 374.484 4.709 0 1 FJAF biogenic CCCCN(CCCC)C[C@@H](O)c1ccc2cc(OC)c(Cl)cc2n1 169337614 JUMGGAMCZNJMNL-LJQANCHMSA-N 364.917 4.832 0 1 FJAF Cc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(F)cc3)C2)cc1 169726241 PIGFSLMRERKGQI-KRWDZBQOSA-N 353.422 4.652 0 1 FJAF Clc1ccc(CN[C@@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299839463 RXZWAODCFKEIAP-HXUWFJFHSA-N 367.880 4.740 0 1 FJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc[nH]c(=N)c2[nH]1 586983297 YMJNCFFBMHQPTH-CYBMUJFWSA-N 373.298 4.505 0 1 FJAF CCOC(=O)Cc1ccc2[nH]c(-c3ccc(-c4nccs4)s3)nc2c1 587023952 TUFZBNKWBFKXFA-UHFFFAOYSA-N 369.471 4.521 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(C(F)(F)F)c3[nH]2)c1 587050028 LSSVZWQHPPJMBJ-UHFFFAOYSA-N 353.731 4.861 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c2c1 587052687 IDHVHNCRCSUMQM-UHFFFAOYSA-N 365.820 4.851 0 1 FJAF Cc1cc(Br)cc2nc(-c3ncoc3CCC(F)(F)F)[nH]c12 587091329 DRQUTERRODOHDG-UHFFFAOYSA-N 374.160 4.784 0 1 FJAF COc1cc2nc(/C=C\c3c(F)c(F)c(F)c(F)c3F)[nH]c2cc1F 587133927 FHNRZDMXYSCVPI-IHWYPQMZSA-N 358.241 4.577 0 1 FJAF CC[C@@H](Oc1ccccc1F)c1nc2cc(Br)c(C)nc2[nH]1 587156000 PYUBPVJYRPSMBV-CYBMUJFWSA-N 364.218 4.698 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)c(F)c1)[C@@H](C2)C3=O 587428429 ZHQATDYTYILZJA-MBSDFSHPSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1ccccc1C)[C@@H](C2)C3=O 587444734 GLBMEJMTYYAGGB-RDPSFJRHSA-N 356.421 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](COC)(c1ccc(Cl)cc1)CC2=O 587461561 KZTUERWGGCIRKN-FQEVSTJZSA-N 360.837 4.505 0 1 FJAF O=C1C[C@H](c2ccccc2-c2cncnc2)Oc2c1ccc1c2CCCC1 587515504 OYSZABSWGAWPNH-JOCHJYFZSA-N 356.425 4.729 0 1 FJAF COc1ccc2nccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587527344 TWJYSULOHNUUEF-QFIPXVFZSA-N 359.425 4.829 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccnc2ccccc12 587661303 WMQWTSAWMZJXCM-UHFFFAOYSA-N 367.383 4.740 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cncc(Cl)c2[nH]1 587783086 WGDNURSCBGEPOJ-UHFFFAOYSA-N 351.793 4.563 0 1 FJAF COc1ccc(C)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587807177 KBPSBNZIVNEZOG-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(N1)c1ccccc1CC[C@H]2C 587824234 VSGSZEVSFDDNDB-IZDJOXEWSA-N 374.297 4.948 0 1 FJAF COc1cccc([C@@]2(c3cccc(F)c3)NCCc3cc(C)c(F)cc32)c1 962087276 BRZHALGHBLDSJG-HSZRJFAPSA-N 365.423 4.719 0 1 FJAF C1=C(c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)CCCC1 1772607140 PEBRGFYMIKVBAL-UHFFFAOYSA-N 366.428 4.802 0 1 FJAF O=C(Nc1cccc(Cl)c1)c1csc([C@@H](O)C2CCCCC2)n1 1857589250 LHDKMVNMOWMYGR-HNNXBMFYSA-N 350.871 4.663 0 1 FJAF NC[C@H](Oc1n[nH]c2ccc(-c3ccccc3Cl)cc12)c1ccccc1 1857617580 JZDOYHINLKPXOF-FQEVSTJZSA-N 363.848 4.962 0 1 FJAF CC(C)=CCc1cc(C=CC(=O)O)ccc1OC(=O)CCc1ccccc1 2356490233 BJIVLGIZOMJQRT-UHFFFAOYSA-N 364.441 4.831 0 1 FJAF COc1ccc(-c2noc(-c3ccccc3)c2C(=O)N[C@@H](C)C(C)C)cc1 774288 YMMPEWLEIPNHMR-HNNXBMFYSA-N 364.445 4.792 0 1 FJAF Cc1ccc(/C=C(\NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 5504004 JBXRJXORKDOBEU-QNGOZBTKSA-N 353.425 4.799 0 1 FJAF CC[C@@H]1O[C@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 6424590 TUFQSDDYFMZWMX-MNJDHSKXSA-N 359.775 4.811 0 1 FJAF O=C([C@@H]1[C@@H](c2ccc3c(c2)OCO3)C=C[C@H]2CCCC[C@H]21)N1CCCCC1 14950431 XILCCXRIHYUMKY-KIQACKJLSA-N 367.489 4.504 0 1 FJAF O=C(O)c1c(O)c(Cc2c[nH]c3ccccc23)nc2c3c(ccc12)CCCC3 35087114 OYAKPCVXYCMLAM-UHFFFAOYSA-N 372.424 4.590 0 1 FJAF CSCC[C@@H](NC(=O)c1sccc1Cl)c1nc2ccccc2[nH]1 71340978 JOBQEJLXPYTGGO-CYBMUJFWSA-N 365.911 4.502 0 1 FJAF COCc1ccccc1-c1cc(C(=O)Nc2nc3c(s2)CCC3)c(C)o1 72181504 TZTJTNYAYKYBEP-UHFFFAOYSA-N 368.458 4.599 0 1 FJAF COc1cccc(CN(C)C(=O)c2cccc(-c3cccc(OC)c3)c2)c1 73195901 FYDLSKBAWVHAPG-UHFFFAOYSA-N 361.441 4.643 0 1 FJAF C/N=c1\[nH]c2cnc(-c3cccc4ccccc34)cc2n1-c1cccc(F)c1 82083892 IPDIIRWCZFXFDY-UHFFFAOYSA-N 368.415 4.843 0 1 FJAF C/C(=C\Cc1cc(C(=O)O)ccc1O)CC[C@H]1C(C)(C)[C@@H]2CC[C@@]1(C)O2 95912668 FDXWQZPEESTRTQ-DFYXEXQJSA-N 358.478 4.953 0 1 FJAF biogenic,in-vitro NC(=O)CCc1ccc2c(c1)c(CCc1ccccc1)cn2-c1ccccc1 140223819 WQJKOHQLJXHYMV-UHFFFAOYSA-N 368.480 4.834 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)c1ccc2ccccc2c1 142103884 ZOELTMFQLAGRRR-AWEZNQCLSA-N 362.433 4.538 0 1 FJAF Nc1c(F)cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1F 586985988 JBUAEJIVAAXRIQ-UHFFFAOYSA-N 374.346 4.679 0 1 FJAF COc1cc2nc(-c3ccnc(Br)c3Cl)[nH]c2cc1Cl 587005734 PNSLTYDJYYGZSH-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CCO[C@@H](C)c1nc(C)c(-c2nc3ccc(Br)cc3[nH]2)s1 587015158 YXLMKOHQLDMZHL-VIFPVBQESA-N 366.284 4.855 0 1 FJAF FC(F)(F)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587043388 ZHLFHGINRZXXBX-HUUCEWRRSA-N 363.408 4.528 0 1 FJAF O=C1C[C@H](c2c[nH]nc2-c2cccc(F)c2)Oc2c1ccc1c2CCCC1 587500458 CAAJLQBHIZHQIY-HXUWFJFHSA-N 362.404 4.801 0 1 FJAF O=C1CC2(CCN(c3cccc(F)c3)CC2)Oc2c1ccc1c2CCCC1 587504963 PAABIBNUWVEIDU-UHFFFAOYSA-N 365.448 4.709 0 1 FJAF CSC[C@]1(C(C)(C)C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587609437 VURJWSXIZWNJML-JXFKEZNVSA-N 358.459 4.502 0 1 FJAF CCOC(=O)c1c(-c2ccc(Br)cc2)[nH]c2cccc(F)c12 587632785 PXEZQGGHJDRJRD-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)c1 587724917 MLDZJIKLNSJLOD-BMLIUANNSA-N 352.222 4.659 0 1 FJAF CCC[C@]1(c2cccnc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587774162 LTRYIKNAKCKAPW-KZULUSFZSA-N 363.274 4.561 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3ccc(Br)cc3[nH]2)c1 587778549 PEYIQXJVTKWKMY-UHFFFAOYSA-N 361.239 4.790 0 1 FJAF Clc1ccc2c(c1)nc(-c1cscn1)n2Cc1ccc(Cl)nc1 1857597662 VSOVHEBNOXLWDK-UHFFFAOYSA-N 361.257 4.910 0 1 FJAF COc1ccc([C@](C)(O)c2nc(-c3ccc(F)cc3)nc3ccccc23)cc1 1911571399 NNVHAWNEUDKGIX-QHCPKHFHSA-N 374.415 4.700 0 1 FJAF Fc1cc(F)cc(OCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1 2382216966 IJEQTEVIXYPEPD-FNORWQNLSA-N 363.367 4.986 0 1 FJAF CCOc1ccccc1-c1cc2c(=N[C@H](C)c3ccccc3)nc[nH]c2[nH]1 2382248931 GAUBIWZQEGWAKV-OAHLLOKOSA-N 358.445 4.619 0 1 FJAF O=C1CS[C@H](c2c(Cl)cccc2Cl)N1c1ccc(Cl)cn1 3587236 DQYNAPRNBCHHGF-CQSZACIVSA-N 359.665 4.820 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(COC(=O)CC(=O)O)CCC[C@@]21C 3618267 CTEBYFKLDQEMJB-OIBXWCBGSA-N 372.505 4.838 0 1 FJAF biogenic c1ccc2c(c1)CN(C[C@@H]1C[C@H]3c4ccccc4Cc4ccccc4N3O1)C2 13437038 XKZZKFWMYWZWDI-DHLKQENFSA-N 368.480 4.858 0 1 FJAF CC[C@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C[C@@H](C)O2 13461817 DJCPAKRYTYQGOM-QWHCGFSZSA-N 370.445 4.560 0 1 FJAF biogenic C[C@]12CC(c3ccoc3)(c3ccoc3)[C@H](c3ccccc31)c1cccc[n+]12 27180348 GMJLUXSIPVIVRM-PKTZIBPZSA-N 354.429 4.759 0 1 FJAF Fc1ccc(-[n+]2nc(-c3cccc4ccccc34)nn2-c2ccccc2)cc1 29130861 APJKVVZNHUYUMY-UHFFFAOYSA-N 367.407 4.503 0 1 FJAF CCOC(=O)[C@@H](CC/C(=C/CCc1ccc2c(c1)OCO2)CC)C(=O)CC 34075009 KKYNALKLIIANAU-WHMKARLCSA-N 374.477 4.623 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]21)[C@@H](C(=O)O)C3 39179181 ZKXLEDOCSSUHKY-DRAFNHJNSA-N 362.510 4.663 0 1 FJAF Fc1cc(Cl)ccc1CN1CCC(N2CCc3ccccc3C2)CC1 40900323 WDJOREDQQVTCKC-UHFFFAOYSA-N 358.888 4.502 0 1 FJAF Nc1nc(N)c2c(Oc3cc(Cl)c(Cl)c(Cl)c3)cccc2n1 45318824 OKWKCNFULPIODN-UHFFFAOYSA-N 355.612 4.547 0 1 FJAF COc1ccc([C@H](c2ccccc2)C(C)(C)C(=O)Nc2nccs2)cc1 72108021 PNQYBFZDYCCUAN-SFHVURJKSA-N 366.486 4.949 0 1 FJAF Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1C(=O)NC(C)C 103185292 JOIAFFBIGQTHPX-UHFFFAOYSA-N 365.260 4.692 0 1 FJAF CCOP(=O)(OCC)[C@H](NC(=O)c1cccc(F)c1)c1ccccc1 103205001 KNFGCORLPMMOCO-SFHVURJKSA-N 365.341 4.520 0 1 FJAF CC(C)(C)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1 146072587 BXVIAVBBMNBNRJ-UHFFFAOYSA-N 362.433 4.541 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@]4(C)[C@@H]3CC[C@@]12C 253634919 QHNHXSFBBNVOAL-SFFYIQHWSA-N 374.613 4.808 0 1 FJAF CC(C)(C)c1ccc(-c2ccc([C@@]3(O)CN4CCCC[C@H]4CO3)cc2)cc1 473112307 CMJYCIHZKRQNTI-LADGPHEKSA-N 365.517 4.681 0 1 FJAF Cc1c(Br)cc2nc([C@@H]3C[C@@H](O)c4ccccc43)[nH]c2c1C 586904303 SYAHASCTQDRBLF-CZUORRHYSA-N 357.251 4.511 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4cc5c(cc4[nH]3)OCO5)ccc2F)cc1 587139783 WJOWRNOPYVRDIA-UHFFFAOYSA-N 374.371 4.967 0 1 FJAF COc1cccc(-c2cc(Cc3nc(C)no3)nc3c2oc2ccccc23)c1 587363265 QRJSTJWRUSKKRJ-UHFFFAOYSA-N 371.396 4.939 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1OCCc1ccccc1)O2 587397906 BXRJFSZSBJUALY-QHCPKHFHSA-N 373.452 4.905 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)cc4C)o1)[C@@H](C2)C3=O 587430060 ZIJVGUKJYQCMIA-AOMKIAJQSA-N 364.372 4.891 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(O)c(C(C)C)c1)(C(C)C)[C@@H](C2)C3=O 587451197 QDEZXUJODWBVLD-FDDCHVKYSA-N 366.457 4.823 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC)c(OC(C)C)c1)CC2=O 587480711 GFIRIZNBJJULLD-FQEVSTJZSA-N 370.445 4.847 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1[nH]c3ccc(OC)cc3c1C)CC2=O 587483249 LODGVZONZOROMT-HXUWFJFHSA-N 365.429 4.850 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(O)cc2Cl)N1 587692497 HLVSAIMRMRGZJZ-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(N1)C1CCCC2CCC1 587819270 UYRJBMQBJFTKJO-URFDXJLMSA-N 352.291 4.918 0 1 FJAF CC[C@]1(c2cccs2)N[C@H](C)Cc2cc(Br)c(F)cc21 587849290 SCJJWEHASRTOPK-HWPZZCPQSA-N 354.288 4.838 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1cccc(OC(F)(F)F)c1 587870558 CTELYVXFUPKAKJ-UHFFFAOYSA-N 366.314 4.976 0 1 FJAF C[C@H]1CCc2c(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)csc2C1 587876903 WNHNBKOWKXXJKQ-JTQLQIEISA-N 354.406 4.670 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1OC 587925269 DIVNSYATCCIAAD-LLVKDONJSA-N 364.367 4.945 0 1 FJAF CC[C@]1(Cc2nc3cc(OC)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587959558 GVHHDYBGYKWKPY-OAQYLSRUSA-N 368.864 4.993 0 1 FJAF CN(C)CC[C@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962659384 GLBGCFYQTJMTHV-AREMUKBSSA-N 370.540 4.889 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cncc(-c2ccccc2)c1 963059122 SJIGMGNLUJEPRO-QHCPKHFHSA-N 367.452 4.541 0 1 FJAF Oc1ccc2c(c1)[C@@H](C1=CSC(=C3SC=CS3)S1)NCC2 963329805 URPKVCJAAJYIFJ-ZDUSSCGKSA-N 351.543 4.978 0 1 FJAF CC(C)=C[C@H](CC(C)=CCCC(C)=CCO)S(=O)(=O)c1ccccc1 2356329035 QFDXZSAOHRHYSQ-OAQYLSRUSA-N 362.535 4.850 0 1 FJAF C[C@@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N[C@H](C)c1ccccc1 2356631560 GLOQOWHSMRSGLK-CHWSQXEVSA-N 370.836 4.539 0 1 FJAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccsc1 776007 AOVLKDNTMXDGFS-UHFFFAOYSA-N 370.474 4.639 0 1 FJAF O=C(O)c1ccc(Nc2nc3cc(C(F)(F)F)ccc3n3cccc23)cc1 1864341 VVDHEEMJIQCXTL-UHFFFAOYSA-N 371.318 4.948 0 1 FJAF Nc1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 5933066 FGILZYIHFYIIDA-UHFFFAOYSA-N 360.166 4.992 0 1 FJAF Cc1c(C)n([C@H](C)c2ccccc2)c2nc(-c3ccccc3O)nc(N)c12 13835478 UCHXFQZMOVKNLR-OAHLLOKOSA-N 358.445 4.612 0 1 FJAF COC(=O)CC[C@]12C3=CCC[C@@]34CC[C@@H]3CN(C4)[C@H]1[C@@H](C(C)C)CC[C@@]32C 14955896 DCVUNQKEVPAWQP-FYXJZHGMSA-N 371.565 4.813 0 1 FJAF COc1cccc(C(=O)c2sc3nc(-c4cccs4)ccc3c2N)c1 27086622 XZFOFSMEHAKKDV-UHFFFAOYSA-N 366.467 4.847 0 1 FJAF CN(C)C1(c2ccc(Cl)cc2)CCC(O)(CCc2cccc(O)c2)CC1 27407442 CPROZFXCHGQGBD-UHFFFAOYSA-N 373.924 4.740 0 1 FJAF CC[C@H](c1ccc(N(C)C)c(O)c1)[C@H](CC)c1ccc(N(C)C)c(O)c1 27653271 SNRYJZDSFBLRCV-QZTJIDSGSA-N 356.510 4.917 0 1 FJAF CC(C)(C)C(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cccc(O)c1 28523820 JGQZJNAWAPHWAR-SFHVURJKSA-N 356.853 4.769 0 1 FJAF Cc1[nH]c(=S)n(Nc2cccc(Cl)c2)c1-c1cccc(C(=O)O)c1 33493441 RDMJXXCAYPMPTF-UHFFFAOYSA-N 359.838 4.748 0 1 FJAF CCCCCC[C@@H](O)C/C=C\CCCCCCCC(=O)N1CCOCC1 58591943 XTHBDBXHFQJGHN-ZDKIGPTLSA-N 367.574 4.854 0 1 FJAF Cc1ncccc1-c1nc(C)c2c(C)nc3ccc(C(F)(F)F)cc3n12 73197288 FMHQKWMVSBVGPC-UHFFFAOYSA-N 356.351 4.889 0 1 FJAF CC(C)c1cccc(Nc2nnc([C@@H](O)c3cccc(N(C)C)c3)s2)c1 82082999 LNYJXQARKDCHKG-SFHVURJKSA-N 368.506 4.553 0 1 FJAF Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)c(C(C)C)cc1O 84690945 ZSMSSHJKUFZECT-UHFFFAOYSA-N 362.882 4.604 0 1 FJAF CC(C)=C[C@H](O)C/C(C)=C/COc1c2occc2cc2ccc(=O)oc12 142275832 KIBSPHPOWGOQIS-ZZZKQGFOSA-N 354.402 4.582 0 1 FJAF C1=C(CCN2CCOCC2)c2ccccc2/C1=C/c1cccc2cc[nH]c12 148920079 GHMDNFTZEJNWKP-HEHNFIMWSA-N 356.469 4.828 0 1 FJAF CCCCC1CCC(c2nc3ccc(CN4CCOCC4)cc3[nH]2)CC1 586883804 GROJSMCLANBFSM-UHFFFAOYSA-N 355.526 4.859 0 1 FJAF CCCOc1cc2nc([C@H]3CCCO[C@@H]3CC)[nH]c2cc1Br 586910310 HPXXVPVAYZMKNR-XHDPSFHLSA-N 367.287 4.787 0 1 FJAF Cc1ccc(-n2cnnc2SCc2nc3cccc(C)c3[nH]2)cc1Cl 586967887 HNBXDPATEAKPIH-UHFFFAOYSA-N 369.881 4.706 0 1 FJAF COc1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)ccc1Br 586977451 OXZFAADOEMMFGH-XVNBXDOJSA-N 364.630 4.553 0 1 FJAF COc1nccc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc12 587021040 GYVGLPWMJODWNM-UHFFFAOYSA-N 368.487 4.691 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2ccc(Br)cc2[nH]1 587028669 ZORXHPMGSGPTOC-UHFFFAOYSA-N 359.252 4.752 0 1 FJAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 587069785 KQGSKVHSICDQKC-JTQLQIEISA-N 354.668 4.808 0 1 FJAF Cc1cnc2[nH]c([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587151675 SQFKAQCALKOAET-SFHVURJKSA-N 351.356 4.713 0 1 FJAF COc1nccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c12 587240366 CPTLMKXXDCUBFG-UHFFFAOYSA-N 359.433 4.576 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCSc3ccc(Cl)cc31)O2 587415312 QZQFEPBBSCKGCX-LJQANCHMSA-N 359.878 4.977 0 1 FJAF COc1cc(F)c2c(c1)CC[C@@]21CC(=O)c2ccc3c(c2O1)CCCC3 587503164 DEYNCWJOHSGWEO-JOCHJYFZSA-N 352.405 4.520 0 1 FJAF Cn1c(C(F)(F)F)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506506 JZQCMFNHNCSRLA-LJQANCHMSA-N 363.379 4.803 0 1 FJAF Cc1ccc([C@@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602038 IJBJDWRIQWYNHK-QPPBQGQZSA-N 372.420 4.968 0 1 FJAF CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587611633 HGLJUWUSSSKDRR-WIYYLYMNSA-N 364.422 4.817 0 1 FJAF Cc1c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)ccc(F)c1F 587721018 VFPYQNSXHIUHKF-CQLKUDPESA-N 370.212 4.798 0 1 FJAF CC(C)c1cnc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587852976 JWQJIVRCSYRUAQ-BJOHPYRUSA-N 369.303 4.792 0 1 FJAF Cc1nc(-c2ccccc2)[nH]c1[C@]1(C)c2c(F)cccc2C[C@H]2CCCN21 963109064 YRYQXKWFDFABCQ-JPYJTQIMSA-N 361.464 4.808 0 1 FJAF C[C@@H](NC(=O)c1cc2c3ccccc3ccc2n1C)c1ccc(C(=O)O)cc1 1857557652 ONNXAVGAFQARAO-CQSZACIVSA-N 372.424 4.521 0 1 FJAF Clc1ccc(SCCCN2CCn3c(nc4ccccc43)C2)cc1 2382250758 DCKFNACIHBFETJ-UHFFFAOYSA-N 357.910 4.688 0 1 FJAF Cc1ccc(NCc2nnc3c(-c4ccccc4)nc4ccccc4n23)cc1 1659126 IULVBMURKJVAFA-UHFFFAOYSA-N 365.440 4.865 0 1 FJAF CCN(CC)CCCCNc1ncc(C)c2c1c1cc(OC)ccc1n2C 5139266 SZNLAGFMXLMHQZ-UHFFFAOYSA-N 368.525 4.577 0 1 FJAF Oc1cccc(N[C@@H](c2ccc(F)cc2)c2nnc(-c3ccccc3)o2)c1 6914962 YWNPWMATZXXBDL-IBGZPJMESA-N 361.376 4.783 0 1 FJAF C/C=C\c1cc(OC)c2c(c1)[C@H](C)[C@H](c1cc(OC)c3c(c1)OCO3)O2 13462773 UIWUAELYQAENKN-FZWBUAPGSA-N 354.402 4.703 0 1 FJAF endogenous,in-man CCCC[C@]1(CC)CS(=O)(=O)c2ccccc2[C@@H](c2ccccc2)[C@@H]1O 13672944 UOLPWQTZNSRMCK-BHIFYINESA-N 372.530 4.553 0 1 FJAF C[C@H]1C[C@@H]2N(C)C(=O)CC[C@@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26397012 SYCPRHSKXPRURM-MBJJLBQCSA-N 359.554 4.645 0 1 FJAF COc1ccccc1-c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O 29207432 FEUHPIODKZZXRH-UHFFFAOYSA-N 354.409 4.780 0 1 FJAF COc1cc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@H]2C)ccc1O 35458907 YPQNDHHCUQGPFN-WGOZBUGNSA-N 358.434 4.503 0 1 FJAF Fc1cccc(-c2nc(CNCc3ccccc3C(F)(F)F)co2)c1 72102508 ZRFOCDLBYKLBOA-UHFFFAOYSA-N 350.315 4.789 0 1 FJAF CC(C)c1noc(C(C)C)c1CC(=O)NCc1ccc(F)cc1Cl 84690073 DAYKUCWIONQITL-UHFFFAOYSA-N 352.837 4.573 0 1 FJAF CCCCC[C@@H](O)CCC[C@H](CCCCCCC(=O)O)SCCO 144346213 CHQQWSXEHAIOJB-MSOLQXFVSA-N 362.576 4.617 0 1 FJAF Clc1ccc(C2=C[C@H](c3nc4cc(Cl)c(Cl)nc4[nH]3)ON2)cc1 587077268 TYXKYKGGBCIURM-GFCCVEGCSA-N 367.623 4.535 0 1 FJAF COc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1F 587111187 ARXXQNJAFWIYBR-UHFFFAOYSA-N 361.298 4.945 0 1 FJAF Cc1c(CC(=O)c2ccc(Br)cc2)nc2cccc3c2c1CC3 587207990 JRBIGHJKJJNYAC-UHFFFAOYSA-N 366.258 4.830 0 1 FJAF CCn1cccc1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587342814 PVXBWYCRSICCGO-UNMCSNQZSA-N 365.404 4.627 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CC[C@@H](C3CC3)C2)[C@@H]1c1ccc(F)cc1 587351864 LAVYJKRCRXZECL-QPJICYPMSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(F)c(Cl)cc1Cl)O2 587381895 MVRVUWHVXRGHIP-KRWDZBQOSA-N 354.208 4.904 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(OC)c(F)c1)CC2=O 587465026 FEUGOSJRXVKQGP-FQEVSTJZSA-N 362.372 4.512 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC(F)F)cc1)CC2=O 587465314 HEWZVPNQJVOIIH-FQEVSTJZSA-N 362.372 4.827 0 1 FJAF CC1CCN(CC(C)(C)[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)CC1 587512384 CYBCLUSSQPZIEN-NRFANRHFSA-N 355.522 4.657 0 1 FJAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)nc1-c1ccccc1 587513441 SLUVBVKGKIYDOZ-NRFANRHFSA-N 358.441 4.672 0 1 FJAF CCCc1csc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)n1 587851217 HQGOMEHSIARVSY-RFAUZJTJSA-N 369.303 4.621 0 1 FJAF CSc1ccc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)cc1 587926438 YGPWFQRZKWKNRG-UHFFFAOYSA-N 364.536 4.989 0 1 FJAF Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cn2)n(C2CCCCC2)n1 1857613135 CCNPROUYTQAHKZ-UHFFFAOYSA-N 374.488 4.940 0 1 FJAF Clc1ccc(N2CCN(CCOc3ccc4ccccc4c3)CC2)cc1 1857654850 BYDBEXIRSKDUGY-UHFFFAOYSA-N 366.892 4.694 0 1 FJAF CC[C@@H](c1nc2ccccc2[nH]1)n1c(-c2cccnc2)nc2ccccc21 95566445 MDJRFMHUZAAWLQ-IBGZPJMESA-N 353.429 4.974 0 3 FJAF Cc1cc(C)cc(-n2cnc3cc(C(=O)N[C@H]4CCCC[C@@H]4C)ccc32)c1 3025794 HDKIIYBKLFFERU-PXNSSMCTSA-N 361.489 4.951 0 1 FJAF COc1ccc([C@@H]2[C@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822824 RTXIBZMHCIEZDT-NZQKXSOJSA-N 356.425 4.669 0 1 FJAF COc1ccc2c(c1)[C@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823946 GEVHBTFEMMAPPF-OFNKIYASSA-N 356.425 4.669 0 1 FJAF c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1 13610398 DDBNDNXQPMWNBL-UHFFFAOYSA-N 372.428 4.718 0 1 FJAF CCC[C@@H]1CNC(=O)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 14210504 YGXIRUYGAMKSJZ-LJQANCHMSA-N 372.528 4.613 0 1 FJAF Clc1ccc(OCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 27092792 YZLWLOOEGMGHIW-MGPUTAFESA-N 352.865 4.962 0 1 FJAF CCCCn1c(SC)nnc1-c1sc(SC)c2c1CCCC2=O 28362220 JTKKGEQRSZWSII-UHFFFAOYSA-N 367.565 4.770 0 1 FJAF Cc1cc(-c2cc(Cl)cc(C)c2/C=C/[C@H]2C[C@@H](O)CC(=O)O2)ccc1F 29483234 VVRWMJVGSUCUFZ-FDRQBBGKSA-N 374.839 4.843 0 1 FJAF O=C(O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(Cl)cc1 40836035 OXJDQEPIDWXSOZ-UHFFFAOYSA-N 364.792 4.516 0 1 FJAF CCCCCn1c(C(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184653 GNCZBLBTPZLFEG-UHFFFAOYSA-N 355.461 4.891 0 1 FJAF COc1cc2cc(-c3cccc(C(C)(C)C)c3)[n+](C)c(C)c2cc1OC 95559478 DBEJFGGKYNDVKN-UHFFFAOYSA-N 350.482 4.954 0 1 FJAF CCc1ccc(C(=O)N[C@@H](C(=O)c2cc(C)cc(C)c2)C(C)(C)C)cc1 103183419 NXNWPCHOVFXSTI-NRFANRHFSA-N 351.490 4.893 0 1 FJAF Oc1ccccc1C1(c2nc3cc(Br)cc(Cl)c3[nH]2)CC1 586897291 YXGVTVWLKMCNHC-UHFFFAOYSA-N 363.642 4.764 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3cc4cn[nH]c4cc3[nH]2)c(C)c1 586966159 HZQCTCLGDARLHE-UHFFFAOYSA-N 374.473 4.534 0 1 FJAF CCc1c(-c2cccnc2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586988211 NANLULAAGYHAND-UHFFFAOYSA-N 352.393 4.776 0 1 FJAF Oc1nncc2nc(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)[nH]c12 587048100 QMYDDEWDTNNZGN-UHFFFAOYSA-N 357.200 4.699 0 1 FJAF Oc1ccc(-c2nc3cc(C(F)(F)C(F)(F)F)ncc3[nH]2)c(Cl)c1 587055143 SOLBHRDNLMPGAU-UHFFFAOYSA-N 363.673 4.638 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cn(-c4ccccc4)nn3)nc3cccc1c23 587105262 VKNAJEKITMRNNN-UHFFFAOYSA-N 374.403 4.694 0 1 FJAF COc1cccc(-c2cc(F)cc(-c3nc4cc5c(cc4[nH]3)OCO5)c2)c1 587160673 ZPUXOORJZGYSDT-UHFFFAOYSA-N 362.360 4.773 0 1 FJAF COc1cc2nc(-c3cccc(Nc4ccc(O)cc4)c3)[nH]c2cc1OC 587241876 CGRJSRHIAPMIMP-UHFFFAOYSA-N 361.401 4.696 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)cc4)cc1)[C@@H](C2)C3=O 587426516 DBDOZZASCBDZAK-WMZHIEFXSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4cccs4)cs1)[C@@H](C2)C3=O 587453202 VXDIFQQZJGILCS-ORAYPTAESA-N 354.452 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H]([C@H](C)Cc1ccc(OC)c(F)c1)CC2=O 587468954 ZFDUKAUFGLKLMW-LRTDBIEQSA-N 372.436 4.705 0 1 FJAF COc1ccc(OC(F)F)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587509848 XFKMESKEKPENPW-LJQANCHMSA-N 374.383 4.882 0 1 FJAF C[C@@]1(c2ccc(-n3cccn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518052 ZDNNBQSJZFEZEG-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615643 XIQIVZQXBJHJAX-FXAWDEMLSA-N 352.411 4.719 0 1 FJAF C[C@]1(CCc2ccsc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587620378 YQWDMDJAJCUHGB-WIYYLYMNSA-N 366.438 4.807 0 1 FJAF CCc1cccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587815891 QZUIDYUPBPBKMR-BLVKFPJESA-N 362.286 4.948 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2[C@@H]2CCC[C@H]32)N1 587825755 FDQZCMPVHSLPNA-RTLYGLLGSA-N 364.302 4.774 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](/C=C/c2ccccc2O)N1 587832947 LJFRUIMXOAPXKT-HDKSMCJESA-N 362.242 4.583 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1ccc(OC(C)C)cc1 587870262 CKZIYZGULCGBOC-UHFFFAOYSA-N 368.408 4.564 0 1 FJAF Oc1cc(-c2ccccc2)c(O)n1-c1cc(F)c(Br)cc1F 587944031 WUSGCUQVRRYUPT-UHFFFAOYSA-N 366.161 4.596 0 1 FJAF Fc1ccc(-n2cccn2)c([C@H]2NCCc3cccc(-c4ccccc4)c32)c1 962660476 CNIRCTRBAZCQRR-XMMPIXPASA-N 369.443 4.914 0 1 FJAF c1ccc([C@]2([C@H]3CCOC3)c3ccsc3CCN2Cc2ccco2)cc1 962714541 ZUAXXKQYBKVNDE-AVRDEDQJSA-N 365.498 4.680 0 1 FJAF C[C@@]1(c2ccncc2Cl)c2ccsc2CCN1Cc1cccnc1 963002335 ZLBIYBPBSZDGTJ-LJQANCHMSA-N 355.894 4.513 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(-c2ccccn2)cc1 963066024 LCGLCBVQSRPOIF-HSZRJFAPSA-N 367.452 4.541 0 1 FJAF Cc1cnc([C@H](CC(=O)O)c2cc(Cl)cc(-c3cccnc3)c2)s1 1772582822 LDLXEOQIDWEIGF-MRXNPFEDSA-N 358.850 4.774 0 1 FJAF Fc1ccc(-c2nc(Cc3c[nH]c4ccccc34)no2)c(C(F)(F)F)c1 1857585891 NPDOYAKZWDIPAK-UHFFFAOYSA-N 361.298 4.967 0 1 FJAF COc1cc(-n2cccc2-c2ccc(SC)cc2)cc(OC)c1OC 2382221598 NRHPDGDBBPPYEV-UHFFFAOYSA-N 355.459 4.892 0 1 FJAF COc1cc(F)ccc1Oc1ccc2c(-c3ccccc3OC)noc2n1 205223452 KAVNTEADDBYNCP-UHFFFAOYSA-N 366.348 4.838 0 3 FJAF CCc1ccc(CC[C@@H]2CCC(C)(C)[C@H](OC)[C@H]2Cn2cncn2)cc1 3803305 SEIBZZUZDXNLIC-QHAWAJNXSA-N 355.526 4.541 0 1 FJAF COc1cc2c(cc1OC)C(Nc1ccc(F)c(Cl)c1)=NC(C)(C)N2 26395125 UJOGNYLLSLDSQY-UHFFFAOYSA-N 363.820 4.517 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27421543 ZRESSCVMJGYKHQ-NGVSTBRYSA-N 354.490 4.577 0 1 FJAF COc1ccccc1C(=O)n1cc(C)n(-c2ccc(Cl)cc2)c1=S 103283284 OTKXYKPHYMQHTL-UHFFFAOYSA-N 358.850 4.667 0 1 FJAF O=C1CSC(N2N=C(c3ccccc3)C[C@@H]2c2ccc3ccccc3c2)=N1 169336299 BVQPQYATPTWBFE-HXUWFJFHSA-N 371.465 4.620 0 1 FJAF CC1(CO[C@H]2CCc3c(-c4ccc(C(F)(F)F)cc4)cncc32)COC1 205708268 NAPVCBYVZVATQN-SFHVURJKSA-N 363.379 4.808 0 1 FJAF CSc1cccc(N[C@H]2N=C3C=CC(Br)=C[C@H]3S2)c1 473083578 BYMFATCWKOKSAI-KGLIPLIRSA-N 353.310 4.509 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(Br)c(F)cc3[nH]2)cc1 586889719 MQDSRCUILLVTKS-MGPLVRAMSA-N 363.230 4.610 0 1 FJAF FC(F)(F)Oc1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587037009 QFKBGPWBTWVTTR-ZDUSSCGKSA-N 356.394 4.902 0 1 FJAF N[C@@H](Cc1ccccc1Cl)c1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587058694 ILAINHMMIGJURN-LBPRGKRZSA-N 357.738 4.617 0 1 FJAF CCc1ccc2nc([C@@H]3CC(=O)N(CC)[C@H]3c3ccccc3Cl)[nH]c2c1 587061010 HESJLKGLGINVPN-QRWLVFNGSA-N 367.880 4.856 0 1 FJAF Cc1cccc(-n2ncc3c2CCc2c-3nc3cccc4c3c2CC4)c1C 587210749 GUEXJKRZYYJSNL-UHFFFAOYSA-N 351.453 4.902 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1csc(-c3ccc(F)cc3)n1)O2 587384601 NHCVMBWNGRQDMT-QGZVFWFLSA-N 354.406 4.546 0 1 FJAF O=C1C[C@H](c2ccc3c(c2)OC(F)(F)O3)Oc2c1ccc1c2CCCC1 587501162 APGXSDRCWXODNA-QGZVFWFLSA-N 358.340 4.593 0 1 FJAF Cn1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)s2)cn1 587531965 OAZYHQWTQHPSAH-SFHVURJKSA-N 364.470 4.734 0 1 FJAF CC1(C)OCc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc2O1 587536211 RYRVBUCHZCTWTN-NRFANRHFSA-N 364.441 4.917 0 1 FJAF CCNc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587573876 UYJOIUDYJJKUMZ-SIKLNZKXSA-N 361.397 4.527 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2Cc3ccccc3C2)N1 587823106 OHASXTYZSJBRKU-NSPYISDASA-N 360.270 4.579 0 1 FJAF Cc1ccsc1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587846630 VDDYCAGYMPTFQF-QLJPJBMISA-N 354.288 4.756 0 1 FJAF COc1ccc(C[C@H](C)c2nc3cc(Cl)c(Cl)nc3[nH]2)cc1OC 587927037 QZEJBGUZYOLLGB-VIFPVBQESA-N 366.248 4.628 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@](CCc2ccccc2)(C2CC2)N1)C(F)(F)F 962759646 CNIGMENIFOXQIP-CTNGQTDRSA-N 373.418 4.570 0 1 FJAF Cc1ccnc([C@@]2(c3ccccc3)c3ccc(F)cc3C[C@@H]3CCCN32)c1 963110532 VTORGSXOPWHKJB-XUZZJYLKSA-N 358.460 4.842 0 1 FJAF CO[C@H](c1nc(SC2CCCC2)nc(O)c1C)c1c(F)cccc1F 1857570836 VCFFBUKIYAGPRV-INIZCTEOSA-N 366.433 4.539 0 1 FJAF COC(=O)CC=C[C@@H](C)[C@@H](OCc1ccccc1Br)C(C)C 1857621838 ZNXUGWNPKPHYLU-KDOFPFPSSA-N 369.299 4.746 0 1 FJAF N[C@H](Cc1ccccc1)c1csc(Nc2ccc(C(F)(F)F)cn2)n1 61928462 SFDXUDKASGPRNY-CYBMUJFWSA-N 364.396 4.543 0 3 FJAF COc1cc(OC)c(-c2noc(C)c2-c2ccccc2)c(OC)c1Cl 13583269 YXMSVAXKJVEKJJ-UHFFFAOYSA-N 359.809 4.996 0 1 FJAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)NCCC2 13737853 KWRRGOAPOBYBJX-UHFFFAOYSA-N 362.517 4.920 0 1 FJAF c1ccc(Oc2ccccc2O[C@@H](c2cccnc2)C2CCNCC2)cc1 43011291 MVRJFCQZNCIBPF-HSZRJFAPSA-N 360.457 4.994 0 1 FJAF CCN(CC)CCCCN(CCc1ccccc1)Cc1ccc(O)cc1 84688291 BSWOJUSGQGSTEU-UHFFFAOYSA-N 354.538 4.559 0 1 FJAF CCCCCCNC(=O)Oc1cccc(-c2ccc(CC(=O)O)cc2F)c1 143641958 AWXIYEGJBOAMER-UHFFFAOYSA-N 373.424 4.789 0 1 FJAF Fc1cc(-c2cccnc2OCC2CC2)ccc1-c1cnc2[nH]ccc2n1 224800205 AOBXVCZUTRENSI-UHFFFAOYSA-N 360.392 4.615 0 1 FJAF CCCCCCO[C@H](C)[C@@H]1[C@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 253633142 DTSBTUSKJKTLJH-UQLDUZDTSA-N 352.515 4.967 0 1 FJAF O[C@@H]1C[C@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586902209 JWEZSBICXIJNHH-SMDDNHRTSA-N 352.743 4.804 0 1 FJAF Fc1cc2nc(COc3ccc(Cl)cc3Br)[nH]c2cc1F 586976141 DITQNNOTBNERJV-UHFFFAOYSA-N 373.584 4.836 0 1 FJAF Clc1cc2nc(Cc3csc(-c4ccco4)n3)[nH]c2nc1Cl 587017653 OLJSJMSPROASMO-UHFFFAOYSA-N 351.218 4.572 0 1 FJAF CC(C)(C)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587077522 VQVJQWAMXXXIIV-OAHLLOKOSA-N 354.841 4.526 0 1 FJAF CN(C)C(=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164834 CHTMBWBOVHKJAG-UHFFFAOYSA-N 365.433 4.799 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3[nH]nc(Cl)c3c1)CC2=O 587461906 NYAFYKQHMGFDPQ-QGZVFWFLSA-N 356.809 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ccccc3nc1OC)CC2=O 587486316 BGGQMMRIFIDVJN-FQEVSTJZSA-N 363.413 4.608 0 1 FJAF CCOC(=O)[C@@H]1CC(C)(C)CC[C@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525723 RLWCDHQKJJIXQH-MBSDFSHPSA-N 370.489 4.659 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CC(c1ccccc1)C2 587600920 BYCSFVYNRCDELG-VRVFXRSRSA-N 358.393 4.670 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C(C)(C)C)(C(F)(F)F)N1 587706471 QDQWTBXTLLBARM-XLKFXECMSA-N 368.212 4.926 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](Cc2ccccc2F)N1 587724944 AJMAFMGEGRNAEV-QGHHPUGFSA-N 352.222 4.545 0 1 FJAF Clc1c[nH]c2nc(/C=C\c3ccc(OCc4ccccc4)cc3)nc-2n1 587783882 IENWNFNDWBMLGC-FLIBITNWSA-N 362.820 4.707 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(F)c(F)c1 587861897 XRLDNYHZAHVQGG-UHFFFAOYSA-N 368.305 4.904 0 1 FJAF CC[C@@]1(Cc2nc3c(F)cnc(Cl)c3[nH]2)CC(=O)c2ccccc2C1 587962278 WTIPPRHCFGUHOD-IBGZPJMESA-N 357.816 4.518 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3ccc(OC(F)(F)F)cc3[nH]2)CC1 587970488 IJTSDYMEYAVIMI-UHFFFAOYSA-N 374.362 4.891 0 1 FJAF CCNC(=O)Nc1cn([C@H]2C=CCCC2)c2cc(-c3cccnc3)cnc12 653749332 FUOXGNXVVQDOGU-KRWDZBQOSA-N 361.449 4.521 0 1 FJAF Brc1ccc2c(c1)[C@@H](C1=Cc3ccccc3OC1)NC1(CC1)C2 961329853 ZVOXQTMVHUOGNW-LJQANCHMSA-N 368.274 4.645 0 1 FJAF Fc1cccc2c1[C@@H](c1ccc(OCc3ccncc3)cc1)N1CCC[C@@H]1C2 963101349 REUGGFAZKSVRAR-HYBUGGRVSA-N 374.459 4.910 0 1 FJAF Oc1ccc2c(c1)[C@H](c1cc(F)ccc1Oc1ccc(F)cc1F)NCC2 963340454 HPHYPNBXPVIMSB-OAQYLSRUSA-N 371.358 4.837 0 1 FJAF C[C@@H]1NO[C@H](C)[C@H]1c1ccc2c(c1)CN(C)C[C@@H]2c1ccc2ccccc2c1 1772641209 CQTQIPQVYQLOGC-TXUMWKRHSA-N 372.512 4.813 0 1 FJAF COc1cc2cnn(Cc3ccc(F)cc3)c2cc1-c1c(C)noc1C 1857609433 OHATVSUUVWNVDX-UHFFFAOYSA-N 351.381 4.504 0 1 FJAF C=CC(C)=CC[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@@]12C 2356642300 CDYBXHABQVLJHE-GHDARCQNSA-N 360.494 4.914 0 1 FJAF CC[C@@H](C)C[C@@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C 14587330 PBQNIVCBQWLBLF-WBMJQRKESA-N 355.438 4.560 0 1 FJAF biogenic CCCC[C@@]1(c2ccccc2)CC(=O)[C@H](SCc2ccccc2)C(=O)O1 18113746 MVPJEKQXGCAIGL-UNMCSNQZSA-N 368.498 4.890 0 1 FJAF Fc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnnc2)cc1 28890370 OZIYMDFQNGXCOY-UHFFFAOYSA-N 373.435 4.952 0 1 FJAF Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1 45498610 DKHCMNUPWHVUKS-UHFFFAOYSA-N 360.457 4.890 0 1 FJAF CCN(C)c1ncc(-c2ncc(-c3ccccc3)s2)c(-c2ccco2)n1 82166460 VBBUAHOEQXQMEQ-UHFFFAOYSA-N 362.458 4.983 0 1 FJAF CC[C@@H](C)[C@H](C)c1sccc1NC(=O)c1cn(C)nc1C(F)(F)F 103197798 NXJYCVLHPIOEMR-ZJUUUORDSA-N 359.417 4.902 0 1 FJAF Cc1nc(SCC(=O)c2ccc(F)c(F)c2)n(Nc2ccccc2)c1C 103244304 WYSITJVQHYMVJS-UHFFFAOYSA-N 373.428 4.628 0 1 FJAF O=C(/C=C\NOCc1ccc(Cl)cc1)c1cnc(-c2ccccc2)s1 208524139 SAALBVNDFAPHAV-KHPPLWFESA-N 370.861 4.881 0 1 FJAF CC/C(=C(/c1ccc(N)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1 299858847 HCWBEBHDRQKDTP-WCWDXBQESA-N 374.484 4.681 0 1 FJAF Cc1c(Br)cc2nc(C34CCC(CO)(CC3)CC4)[nH]c2c1C 586895219 AEJTXNBIBJBQMA-UHFFFAOYSA-N 363.299 4.527 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc3ccccc3cc2[nH]1 586915947 JINABXROCQHELP-JPYJTQIMSA-N 356.425 4.933 0 1 FJAF Cc1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)sc1C 586993026 DADKGHVCFWYRNW-UHFFFAOYSA-N 358.422 4.892 0 1 FJAF C[C@H]1CCc2sc(-c3nc4nc(Cl)nc(C(F)(F)F)c4[nH]3)cc2C1 587032821 BGVGSAQAIWLGAL-LURJTMIESA-N 372.803 4.878 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587133545 ZVAYKIHPOLWHIN-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF COc1ccc(C(=O)c2ccccc2-c2nc3ccc(F)cc3[nH]2)cc1F 587144250 KIWJQQATKPYYJC-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF Cc1c(F)ccc2nc(-c3cn(C4CC4)c4cc(F)c(F)cc4c3=O)[nH]c12 587170496 AIJAIKCJIKCNBD-UHFFFAOYSA-N 369.346 4.605 0 1 FJAF Cc1ccc(NC2(c3nc4cnc(C(F)(F)F)[nH]c-4n3)CCCC2)cc1 587237576 UPZLZLKRRVRNHD-UHFFFAOYSA-N 361.371 4.513 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1c(C4CC4)oc4ccc(O)cc14)[C@@H](C2)C3=O 587451844 BURLEESTBVRCAF-OYHNWAKOSA-N 362.381 4.513 0 1 FJAF Cc1ccc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(O)nc2c1 587528049 WKYYIEYWJFWDPS-NRFANRHFSA-N 359.425 4.834 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1Cc1ccc(Cl)cc1 587542947 AXUDHVUFWCOSIC-RTBURBONSA-N 366.800 4.619 0 1 FJAF Cc1cccc(F)c1[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587559361 WNNMZMCMAZCMPZ-GHTZIAJQSA-N 350.345 4.543 0 1 FJAF Cc1cccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)c[nH]c12 587588162 JVIJFLIDRNHHEI-WMZHIEFXSA-N 371.392 4.885 0 1 FJAF Cc1cc(Br)cc2nc(COC/C=C/c3ccccc3)[nH]c12 587780762 HTJTZHOQUCZQMP-VMPITWQZSA-N 357.251 4.864 0 1 FJAF Cc1ccc2c(c1)CC[C@@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587817497 LBXUHGFRFCZRGX-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(N1)c1ccccc1CC2(C)C 587818118 BUIRTNYFDFLZPE-FKIZINRSSA-N 374.297 4.948 0 1 FJAF CSC[C@]1(C(C)(C)C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587841899 CMJWIJOTKKQVHZ-QFYYESIMSA-N 360.336 4.727 0 1 FJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2cc(C(=O)O)c(F)cc2[nH]1 587952062 XNWOKRSHWMMNSN-NSHDSACASA-N 350.349 4.693 0 1 FJAF C[C@H]1C[C@@H](C)C[C@H]([C@]2(C)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)C1 962974972 LYGAGBWSFKSJIZ-YINVBRBWSA-N 371.855 4.505 0 1 FJAF CCCCNC(=O)Nc1ccc(-c2nonc2-c2ccc(Cl)cc2)cc1 1772606562 PIRBRAGQLXNMCM-UHFFFAOYSA-N 370.840 4.979 0 1 FJAF CC[P@](=O)(OC)c1ccc2nc(-c3ccc4cccnc4c3)oc2c1 1911574600 IAPZAHAHIAYSFI-VWLOTQADSA-N 352.330 4.613 0 1 FJAF CC(C)=CCCC(C)=CCC[C@@]1(C)Oc2ccc(C(=O)O)cc2C[C@@H]1O 2356499838 KSXMPLFGEDQAEG-RBBKRZOGSA-N 358.478 4.912 0 1 FJAF C[C@@H]1CC[C@]2(C)C(OC(=O)CC(=O)O)=CCC[C@H]2[C@@]1(C)CCc1ccoc1 2356598431 PPQVAHQHYRDJTI-HIAJTZQDSA-N 374.477 4.967 0 1 FJAF C[C@@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(F)cc2)=NO1 12476811 ALKPURORZXZVMK-SFHVURJKSA-N 357.772 4.569 0 3 FJAF CC(=O)Nc1cc(-c2cccc(F)c2)cn2c(-c3ccc(F)cc3)cnc12 61928920 DCLGIQNIXSIEPG-UHFFFAOYSA-N 363.367 4.905 0 3 FJAF COc1ccc(-c2ncn(CCc3ccccc3OC)c2C(C)C)cc1 198628037 VQAVTSGCKUABLU-UHFFFAOYSA-N 350.462 4.933 0 3 FJAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NCc2ccccc2)cc1 774378 QFGQXBLAVHVVPB-UHFFFAOYSA-N 374.396 4.540 0 1 FJAF CC(C)C(=O)N1Cc2cc(Cl)cc(Cl)c2OC(=O)c2ccccc21 1627640 HNKCQDBWNGLOTM-UHFFFAOYSA-N 364.228 4.715 0 1 FJAF C(#CCSc1nc2ccccc2o1)CSc1nc2ccccc2o1 3066142 LPBKZZSSVBPXQW-UHFFFAOYSA-N 352.440 4.857 0 1 FJAF biogenic CCCCc1n[nH]c(=S)n1Cc1ccc(-c2ccccc2C(=O)O)cc1 13825634 RBMNVUGTZQSBCW-UHFFFAOYSA-N 367.474 4.697 0 1 FJAF Cc1cc(C)c(/C=C/[C@H]2C[C@@H](O)CC(=O)O2)c(-c2cc(C)c(F)c(C)c2)c1 29483959 ZVQCWCXKCFTMCM-YSKLNCTFSA-N 368.448 4.806 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184660 QIHYYHNBOFSBNP-CQSZACIVSA-N 355.461 4.747 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897438 IPMUIEOKKFRJCK-XRMCVISESA-N 370.487 4.907 0 1 FJAF Cc1n[nH]c2c1[C@@H](c1ccc(N(C)C)cc1)C1=C(O)CC(C)(C)CC1=N2 101892742 HHGMTFASOODZSZ-GOSISDBHSA-N 350.466 4.634 0 1 FJAF COc1ccc2c(c1F)CCCC=C2c1cc(OC)c(OC)c(OC)c1 103291466 CUFKYMYDQIHHIJ-UHFFFAOYSA-N 358.409 4.628 0 1 FJAF COc1c(C(C)C)cc2c(c1OC)[C@@]13CCCC(C)(C)[C@H]1C[C@H]2OC3=O 140732031 BMUVJFGCCPHXOJ-XCGNWRKASA-N 358.478 4.893 0 1 FJAF endogenous,in-man O=C(Nc1ccc(F)cc1)c1ccc(SCCOc2ccccc2)nc1 145048702 FWULLNGVSSXWLY-UHFFFAOYSA-N 368.433 4.644 0 1 FJAF Clc1ncc(Br)c2nc([C@H]3Cc4ccccc4S3)[nH]c12 587043544 RHNKIZLLVZOEMN-SNVBAGLBSA-N 366.671 4.763 0 1 FJAF FC(F)(F)c1nn(CCc2nc3ccccc3[nH]2)c(C2CC2)c1Cl 587116526 GCBZTFCAOMQZOZ-UHFFFAOYSA-N 354.763 4.552 0 1 FJAF CCCOc1cc2nc(-c3ccc(F)c(N)c3)[nH]c2cc1Br 587139446 JQKJMWIHUCFFQF-UHFFFAOYSA-N 364.218 4.503 0 1 FJAF Fc1cncc(-c2nc3cc(C(F)(F)F)c(Br)cc3[nH]2)c1 587176988 KLROAMJUUAJPSC-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cc(Cl)ccc1Cl)O2 587374282 HWUJDPWVCGQMKN-GOSISDBHSA-N 350.245 4.851 0 1 FJAF C[C@@]1(Cc2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374754 LFIDVZSTXAVPSF-CTNGQTDRSA-N 368.429 4.953 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(F)c(C(F)(F)F)c1)[C@@H](C2)C3=O 587422434 UIJJSTBHQUXVPO-SCLBCKFNSA-N 366.310 4.516 0 1 FJAF CCCc1c(O)ccc2c1O[C@](COC)(c1ccc(Cl)cc1)CC2=O 587461564 KZTUERWGGCIRKN-HXUWFJFHSA-N 360.837 4.505 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(Cl)ccc(C)c31)CC2=O 587462949 RTOPXLDRUFYKDD-OAQYLSRUSA-N 372.848 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C(C)=O)c3ccccc13)CC2=O 587477936 WMIVEPUJCUEQJV-NRFANRHFSA-N 363.413 4.666 0 1 FJAF C[C@@H]1C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)CN1Cc1ccccc1 587516826 FEHUKVIKHGDILN-OSPHWJPCSA-N 361.485 4.564 0 1 FJAF Cc1ccc2c(c1)[C@]1(C=CO2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587840233 XBIBCRRLZLXCBN-BUXKBTBVSA-N 374.253 4.581 0 1 FJAF CCCC1CCC2(CC1)c1ccccc1C[C@]1(C3CCC3)C(=O)NC(=O)N21 962668823 OXLKELVYXKVFQR-AWYJXPRZSA-N 366.505 4.519 0 1 FJAF CCC[C@@]1([C@@H](C)C(=O)OCC)NCCc2cc(-c3ccccc3)ccc21 962675476 ZMMPUQDMFZJDKG-SBUREZEXSA-N 351.490 4.694 0 1 FJAF COc1ccc2sc(-c3nc4cc(Br)ccc4[nH]3)nc2c1 1772606456 HMYCLIMOSVZPAN-UHFFFAOYSA-N 360.236 4.611 0 1 FJAF FC(F)(F)c1ccc(Cn2nc(Br)c3ccccc32)cc1 1857617697 MCGXJXASKATYMH-UHFFFAOYSA-N 355.157 4.866 0 1 FJAF COC(C=CC(=O)O)=CC(C)=C[C@@H]1CCCc2oc3ccc(O)cc3c21 2356395168 LWPQRRAIIWETLD-AWEZNQCLSA-N 354.402 4.676 0 1 FJAF O=C(CCCCCCCCCCc1ccccc1)[C@@H]1C(=O)[C@H](O)CC=C1O 2356613525 OTCZFMJSCRSWHW-YADHBBJMSA-N 372.505 4.701 0 1 FJAF C=CC(C)=CC[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@@H]2C(C)(C)CCC[C@]12C 2356642303 CDYBXHABQVLJHE-VQQMMKBISA-N 360.494 4.914 0 1 FJAF CC(=CC(=O)O)CC[C@@H]1[C@](C)(OC=O)CC[C@H]2C(C)(C)CCC[C@]21C 2356855217 RAPGMQQTEPEGFO-ZCLUNYJNSA-N 350.499 4.972 0 1 FJAF CCOC(=O)c1cn(Cc2ccc(F)cc2)cc1-c1ccc(OC)cc1 6403785 DWYNYKLTOWXZPM-UHFFFAOYSA-N 353.393 4.528 0 1 FJAF O=C(c1ccc2c(c1)sc1nc(-c3ccccc3)cn12)N1CCCCC1 9406534 APELZHNGCIYIFN-UHFFFAOYSA-N 361.470 4.842 0 1 FJAF CC[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F 13474594 ZNKXXZUAGZJIDN-LBPRGKRZSA-N 350.434 4.625 0 1 FJAF COc1ccc(C[C@@H]2NCCc3c2[nH]c2ccc(C(C)C)cc32)cc1OC 26665773 ZLJVEUHUDWRXMP-FQEVSTJZSA-N 364.489 4.738 0 1 FJAF COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1 28817108 KFPUCANOYSPKNM-UHFFFAOYSA-N 373.496 4.768 0 1 FJAF in-vivo CN(c1ccncc1)c1ccc(NC(=O)Nc2cc(C(C)(C)C)on2)cc1 29127521 KIEMDNLVXYVTKC-UHFFFAOYSA-N 365.437 4.779 0 1 FJAF Cc1ccc(NC(=O)c2cccc(Cl)c2)cc1C(=O)Nc1cccnc1 38279059 DVOQWWKVAUOPOI-UHFFFAOYSA-N 365.820 4.548 0 1 FJAF Cc1cccc(COc2cc(O)c3c(=O)c(O)c(-c4ccccc4)oc3c2)c1 64539914 WADKVKPBLNCBLK-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF COc1cccc(-c2ccc(C(=O)N(C)c3cccc(OC)c3)s2)c1 95583505 BTXOYSPNQOWPQS-UHFFFAOYSA-N 353.443 4.709 0 1 FJAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1ccccc1Cl)S3 98084402 IPEKLMJBULMQER-UHFFFAOYSA-N 368.849 4.805 0 1 FJAF CN(C)c1cc2[nH]c(C3CCCCC3)nc2cc1NC(=O)c1ccccc1 103255865 DSBJMOYFBOXLHN-UHFFFAOYSA-N 362.477 4.929 0 1 FJAF COc1ccc2c(c1)COc1cc(Nc3ccc(F)cc3F)ccc1C2=O 103285432 GKJZGKXAGFBHLU-UHFFFAOYSA-N 367.351 4.840 0 1 FJAF COc1ccccc1CN[C@H]1C[C@@H]1c1ccc(OCc2ccccc2)cc1 113365792 PPCBJIQRKKFFJQ-PKTZIBPZSA-N 359.469 4.920 0 1 FJAF CC[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)[C@H](N)C[C@]4(C)[C@@H]3CC[C@@]12C 263613848 ZSSPHCDGLYDLSV-HBHMPODDSA-N 359.554 4.844 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc(C)c(Cl)cc2[nH]1 586916072 JNPUMAATPJOHDS-XOBRGWDASA-N 354.837 4.741 0 1 FJAF COc1cc(/C=C/c2nc3ccc(F)c(F)c3[nH]2)ccc1Br 586978160 YGESLWANWYHKNF-XVNBXDOJSA-N 365.177 4.783 0 1 FJAF Clc1cccc(Cl)c1[C@@H]1C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587052133 WRCQMSRXAWQJDS-ZJUUUORDSA-N 361.228 4.912 0 1 FJAF CCc1nccn1Cc1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587096946 FKAJUAGBWLDQNJ-UHFFFAOYSA-N 353.425 4.562 0 1 FJAF COc1nccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c12 587126213 WDTTZIYJJCCKAB-QPJJXVBHSA-N 351.353 4.749 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cc(=N)[nH]cc4[nH]3)c(Cl)c2)cc1F 587147184 KGYHNXZXHKQKBZ-UHFFFAOYSA-N 352.800 4.805 0 1 FJAF O=S(=O)(c1ccc(-c2cc3c4c(cccc4n2)CC3)cc1)C1CCCC1 587217735 YSRHDYSMQASOQX-UHFFFAOYSA-N 363.482 4.717 0 1 FJAF Cc1cc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2cc1C 587222389 ZDVXVVBKNBNRRE-OAQYLSRUSA-N 355.441 4.699 0 1 FJAF COC(=O)[C@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587361830 CEIHXPKZUIDTFT-KRWDZBQOSA-N 373.408 4.859 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccccc1CCC(F)(F)F)O2 587383559 YTMJHBZATYWOPZ-LJQANCHMSA-N 363.379 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1-c1cccc(C(=O)O)c1)O2 587408986 SFWZENXNYUBGHY-NRFANRHFSA-N 373.408 4.649 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccc(C)c1)CC2=O 587488174 YPYJOJOVOOBVMA-HXUWFJFHSA-N 362.429 4.750 0 1 FJAF CCOC(=O)[C@H]1CCCCCC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587524368 NCGFXRCHQRHWCX-AUSIDOKSSA-N 370.489 4.803 0 1 FJAF COC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1cccc(Cl)c1 587624664 QTVFKKJDDKXWKT-UHFFFAOYSA-N 362.212 4.801 0 1 FJAF O=C(O)c1cccc2c(C(=O)C(F)(F)F)c(-c3cccc(Cl)c3)[nH]c12 587637941 GYRDBZIEZDLGDN-UHFFFAOYSA-N 367.710 4.932 0 1 FJAF Cc1c(CCc2ccc(Br)cc2)[nH]c2c(C(=O)O)cccc12 587639096 VNBMIYCUVGEFDX-UHFFFAOYSA-N 358.235 4.722 0 1 FJAF O=C(c1cc(F)c(F)cc1Cl)n1nc2cc1Oc1ccc(F)cc1-2 587873369 AFJYXVORWWJXFB-UHFFFAOYSA-N 350.683 4.415 0 1 FJAF Cc1c(F)ccc2c1[C@](C)(c1ccc(OCc3ccccc3)cn1)NCC2 962091043 KRCHKXFWQUVSAC-QHCPKHFHSA-N 362.448 4.517 0 1 FJAF CCN(Cc1ccccc1)Cc1ccc(NC(=O)Cc2ccccc2)cc1 1857758950 FELMACAEBYKKOI-UHFFFAOYSA-N 358.485 4.890 0 1 FJAF CC(C)=C[C@@H](O)CC(C)=CCCOc1c2ccoc2cc2oc(=O)ccc12 2356313130 RAKRMIHGFRITFM-MRXNPFEDSA-N 368.429 4.972 0 1 FJAF COc1ccc2c(c1)-c1c(c3ccccc3n1CCN1CCCCC1)CC2 1651444 HUTPVVRESVAZSX-UHFFFAOYSA-N 360.501 4.901 0 1 FJAF COc1ccccc1C(=S)Nc1ccc(Cl)c(C(=O)OC(C)C)c1 13474507 OTVGDQVFWSJIHT-UHFFFAOYSA-N 363.866 4.701 0 1 FJAF COc1ccc2c(c1)CCC[C@@H]2CCCN1CCN(c2ccccc2)CC1 13760531 IDTGHVXTQYWTPV-HXUWFJFHSA-N 364.533 4.718 0 1 FJAF CCC(=O)N(c1ccccc1)C1(C)CCN(CCc2ccccc2)CC1 26168205 GNKKPEHVTFKLMN-UHFFFAOYSA-N 350.506 4.527 0 1 FJAF O[C@H]1CC2(N3CCCCC3)C[C@H](c3ccccc3)C1[C@@H](c1ccccc1)C2 58669439 ZYCCDGNCYIZABH-LQKMEQQXSA-N 361.529 4.953 0 1 FJAF COC(=O)/C=C/[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 78702666 DDCGWRRNJKWFFT-NBXRJSQTSA-N 358.522 4.656 0 1 FJAF Cc1ccccc1Nc1c(C(N)=O)cnc2cc(-c3c(C)noc3C)ccc12 84633772 KSULBZSCCYYFHF-UHFFFAOYSA-N 372.428 4.658 0 1 FJAF O=C(Nc1cc2ccccc2cn1)Nc1cccc2c1[C@H]1CCCCN1C2=O 95576501 XVNXLMMYWHJXME-GOSISDBHSA-N 372.428 4.560 0 1 FJAF CN1CCN([C@H]2C[C@@H](c3ccc(F)cc3)c3cccc(F)c32)CC1(C)C 253643347 BEBKQEVGPRNSGI-ICSRJNTNSA-N 356.460 4.568 0 1 FJAF C=C=CS(=O)(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 299810105 HRSXVEFTZAQPAV-QFJIJFTOSA-N 374.546 4.600 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)c(F)c(F)c3[nH]2)c(C)c1Br 586978993 NJAKBPHSWBQEMK-UHFFFAOYSA-N 372.600 4.936 0 1 FJAF COc1cc2nc(-c3ccccc3OCc3cscn3)[nH]c2cc1C 587029227 LMOFJCZHPYVTKC-UHFFFAOYSA-N 351.431 4.582 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(O)cc(O)c4)nc13)-c1ccccc1C2=O 587100773 IEGXPTPBIZOIIX-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF OCCc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2c1 587128758 PMJZAGUXZVQVJD-UHFFFAOYSA-N 371.412 4.826 0 1 FJAF Cc1cc(=O)oc2c(OCC(=O)c3coc4ccc(Cl)cc34)cccc12 587276470 QLSQAOHMOPWLGU-UHFFFAOYSA-N 368.772 4.763 0 1 FJAF COCC[C@]1(C(C)(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587344555 DCNBDWXWULVEFF-KNQAVFIVSA-N 372.436 4.712 0 1 FJAF O=C1c2ccc(O)cc2O[C@@]2(CCCc3occc32)[C@H]1c1ccc(F)cc1 587357142 SJMWNWUGOZWEGP-RBBKRZOGSA-N 364.372 4.715 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H]3C(=O)O)c1 587367248 UWZKHWQCAYSTFL-OAHLLOKOSA-N 359.381 4.771 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(-c3ncccn3)cc1)CC2=O 587491476 STJSCAUTZXWOCT-HXUWFJFHSA-N 360.413 4.508 0 1 FJAF CN(C)c1cc(F)ccc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587506421 SKHBJHMZATYBKE-JOCHJYFZSA-N 353.437 4.651 0 1 FJAF Cc1cc(Cl)cc2c(C(=O)C(F)F)c(-c3ccc4c(c3)OCO4)[nH]c12 587624528 LHBKWEKOENUEPT-UHFFFAOYSA-N 363.747 4.973 0 1 FJAF CC(=O)NC(C)(C)c1c(C)[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c12 587626189 QQAMDRMWXAPFDV-UHFFFAOYSA-N 366.305 4.885 0 1 FJAF Cc1c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc(F)c1F 587714892 GJQKEVLRDWNFAQ-QPFGOUBPSA-N 370.212 4.798 0 1 FJAF CC[C@]1(c2ccc(F)cc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587730650 JVTHWTOLMCTWTE-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF Cc1noc(C(F)F)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857554611 UAOVZEVSVJFRHT-ZBEGNZNMSA-N 373.375 4.817 0 1 FJAF Cc1cnc(NC(=O)C(C)(C)CCOc2ccc(Cl)c(C)c2)s1 1857593726 HTBYEQKGAMSAGA-UHFFFAOYSA-N 352.887 4.847 0 1 FJAF CC(=O)[C@]1(C(=O)c2ccccc2)N=Nc2sc3c(c2C1=O)CCCCC3 1857754226 ACGJAKWNXFOAGJ-HXUWFJFHSA-N 366.442 4.508 0 1 FJAF O=c1[nH]cnc2c1sc1nc3c(c(-c4ccco4)c12)CCc1ccccc1-3 5130947 BLSOPELSVKQKJT-UHFFFAOYSA-N 371.421 4.558 0 1 FJAF O=C(Nc1ccc(F)cc1F)Nc1ncccc1OCc1ccccc1 13680239 BJGCOTAIBUUGAQ-UHFFFAOYSA-N 355.344 4.583 0 1 FJAF CC(C)(C)c1ccc(OC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1 14979772 HNHLMQTUGBZYKH-UHFFFAOYSA-N 352.434 4.502 0 1 FJAF CC(=O)N1CCC(=C2c3ccc(Cl)cc3C=Cc3cccnc32)CC1 27105153 KEFXZIMBZTZSPQ-UHFFFAOYSA-N 350.849 4.663 0 1 FJAF C[C@@H](c1ccccc1)n1oc(=O)c(-c2ccc(F)cc2)c1-c1ccncc1 29055007 OHUZVWNGXFRCDQ-HNNXBMFYSA-N 360.388 4.919 0 1 FJAF COc1ccc([C@H]2CC[C@H](OCCCCCc3cccnc3)O2)cc1OC 29309107 MFTIEUGKMLRBCW-DENIHFKCSA-N 371.477 4.706 0 1 FJAF CCCCN1CCC(COc2nc3scc(C)c3n3cccc23)CC1 40395629 ULBFVIWRHJEEEE-UHFFFAOYSA-N 357.523 4.748 0 1 FJAF Cc1cccc(C)c1CNc1nc(-n2ccccc2=O)cc2c(C)c(C)[nH]c12 49089651 FGLOYVLTOMTFMB-UHFFFAOYSA-N 372.472 4.560 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@@H](C)N(C)[C@H](C)C1 53059661 GBUCMOFKIFALMI-CHWSQXEVSA-N 372.513 4.609 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184662 QIHYYHNBOFSBNP-AWEZNQCLSA-N 355.461 4.747 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185949 PCFIWFSSAGBLCN-CQSZACIVSA-N 355.461 4.747 0 1 FJAF CC(C)Oc1cccc([C@](O)(c2ccc(Cl)cc2)c2cccnc2)c1 84724017 RQTURHVNEKPRHA-OAQYLSRUSA-N 353.849 4.806 0 1 FJAF COc1ccc(-c2n[nH]c3ncc(-c4ccc(Cl)cc4N)cc23)cc1 169322494 FUFAFGVWPUJZAP-UHFFFAOYSA-N 350.809 4.536 0 1 FJAF O=C1C[C@H](c2ccc(Cl)cc2)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845548 FLOVARDSPJUOHV-QHAWAJNXSA-N 368.908 4.714 0 1 FJAF Fc1cc(Br)cc2nc(CNc3ccccc3Cl)[nH]c12 587061375 FUOLWKLRTHJWTN-UHFFFAOYSA-N 354.610 4.730 0 1 FJAF Clc1c[nH]c2nc(-c3ccc(COc4ccccc4Cl)cc3)nc-2n1 587063327 KNSSTIOVWRCOMI-UHFFFAOYSA-N 371.227 4.857 0 1 FJAF Cc1ccc2c3c(cc(-c4ccc(O)cc4O)nc13)-c1ccccc1C2=O 587101589 OJIUZBFCMMWJGJ-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3ncccc3C(F)(F)F)nc2c1 587108350 JDSMPPOLRZJQHI-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF Fc1cncc(-c2nc3cc(Br)cc(C(F)(F)F)c3[nH]2)c1 587177448 XCSGGIRNTNTQPG-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Clc1ncc(Cl)c2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc12 587231902 HMOIXZGPZMGWIB-UHFFFAOYSA-N 373.243 4.815 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc4cccc(C)c4nc1Cl)[C@@H](C2)C3=O 587421122 NSNSHYZNZBXZLN-VBKZILBWSA-N 365.816 4.694 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)-c1ccccc1C4)[C@@H](C2)C3=O 587445926 PXWPQGVJJLPEQJ-SQJMNOBHSA-N 368.432 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCCCF)cc1)CC2=O 587466035 LJJTUFCDZMPWGV-HXUWFJFHSA-N 358.409 4.790 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCC[C@@H]1N1CCCCCC1)CC2=O 587474843 KKRUTYAFJXADLQ-GMAHTHKFSA-N 371.521 4.867 0 1 FJAF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)Nc1ccc3ccccc3c12 587527274 UKBDAXWOJDNLNC-XMMPIXPASA-N 369.420 4.531 0 1 FJAF Cc1ccc(-c2n[nH]cc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528416 ZHYGVLUUWHCFMN-NRFANRHFSA-N 358.441 4.970 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc(O)c(Cl)c2)N1 587697243 SCMDDELSBLFKII-ZKANADHPSA-N 370.649 4.571 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)NC(=O)CC5)ccc2c1 587935161 QFUATEUOSYREEX-CYBMUJFWSA-N 371.440 4.761 0 1 FJAF Ic1ccc2nc(CC3CCCCCC3)[nH]c2c1 587959957 CSADRSDYXLTUEL-UHFFFAOYSA-N 354.235 4.680 0 1 FJAF Cc1cc(O)cc(C)c1[C@@H]1c2ccsc2CCN1Cc1cccnc1 963000651 WETCFDBOTCMISB-NRFANRHFSA-N 350.487 4.613 0 1 FJAF CCCN1CC(=O)Nc2ccc(-c3ccc(O)cc3)cc2[C@H]1c1ccccc1 1911586888 XMIJIVVSJKUQCX-XMMPIXPASA-N 372.468 4.813 0 1 FJAF O=C(O)c1ccc(Br)cc1N1C=Cc2c([nH]c3ccccc23)C1 2356403003 XHDONWIUENEAJT-UHFFFAOYSA-N 369.218 4.620 0 1 FJAF CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1C(=O)C[C@H]23 2356487433 AVCUMQCXLPRLSN-YSFYHYPLSA-N 358.478 4.539 0 1 FJAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@H]1CC[C@@H](C)CCOC=O 2356786278 ZQMIRTGWVGONOM-ITBLURSFSA-N 364.526 4.918 0 1 FJAF CCCCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1OC 2478317 RFNZVLGZJJKHPO-UHFFFAOYSA-N 368.408 4.686 0 1 FJAF CCC[C@@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 28229980 ARMYTXPZZHDHPS-JOCHJYFZSA-N 352.430 4.656 0 1 FJAF CCCCCN(CCN1CCCC1)C(=O)Cc1cccc2sccc12 29396436 LJEKTRIRUXDMNT-UHFFFAOYSA-N 358.551 4.558 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)C=CC(C)(C)O4)cc1OC 59060274 WBKMMUGBIOVPMR-IBGZPJMESA-N 366.413 4.595 0 1 FJAF biogenic,in-vitro COc1cccc(CN(C(=O)Nc2ccc(-c3cn[nH]c3)cc2)C(C)C)c1 95587818 JTWXITIUGHXHNT-UHFFFAOYSA-N 364.449 4.528 0 1 FJAF FC(F)(F)c1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1 96283009 ODURKURUHXWNHZ-UHFFFAOYSA-N 374.391 4.885 0 1 FJAF CC1=CC[C@@H](C[C@H](C)Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 139520382 KCXMCDKKIBWBCH-MMVRYDLHSA-N 357.475 4.914 0 1 FJAF Cc1c(Br)cc2nc(C3(c4ccc(O)cc4)CC3)[nH]c2c1C 586896781 XXXUBAHAVVDWEI-UHFFFAOYSA-N 357.251 4.728 0 1 FJAF CCCc1sc(=N)[nH]c1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587013125 IACAKNUWNWKWBV-UHFFFAOYSA-N 360.792 4.724 0 1 FJAF Brc1cnc2nc(-c3ccc(-c4nccs4)cc3)[nH]c2c1 587023957 TVBVSGBGZSCZRV-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF Cc1c(Br)ccc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc12 587072702 VGISOOKPSGQASD-UHFFFAOYSA-N 363.642 4.713 0 1 FJAF Fc1ccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1Br 587079259 BWSAFYIVTRCXJU-LBPRGKRZSA-N 367.605 4.794 0 1 FJAF N[C@@]1(c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)C[C@H]1c1ccccc1F 587156107 MFWCVXNGFPGKQX-QFYYESIMSA-N 369.749 4.716 0 1 FJAF O=c1c(-c2nc3cccc(Cl)c3[nH]2)cn(C2CC2)c2cc(F)c(F)cc12 587170664 DQPLYFHACFEPFW-UHFFFAOYSA-N 371.774 4.811 0 1 FJAF O=C1C[C@@H](c2cc(Cl)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587499713 MGXFCTKZCSAEDD-SFHVURJKSA-N 370.832 4.697 0 1 FJAF CC(C)Cn1cc([C@@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587504775 KBMOVESSAHYSHE-OAQYLSRUSA-N 374.431 4.544 0 1 FJAF O=C1C[C@@H](c2cnn(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587516901 GCLBITIODZKOCY-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF C[C@@H]1C[C@@H]1c1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587616130 IEVCBUAYFFNMAO-XQXGLBFJSA-N 362.381 4.812 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc3ccccc3c2)N1 587779474 SQCNWJSLYHLULV-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF CCC1(CC)[C@H](OC)C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587807544 DNXPUHHXOLWWRJ-ONUMYQOESA-N 370.306 4.543 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]3C[C@@H]2C3(C)C)N1 587827941 MDFMPCLZHMTPDD-FBEGKWATSA-N 352.291 4.774 0 1 FJAF COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)C13CCC3)N(C)[C@@H](C)C2 962620966 ANZQYGGJBATVTL-RSDPBLMXSA-N 373.537 4.533 0 1 FJAF O=C(O)c1cccc2c1CCN[C@@H]2c1cc(F)ccc1Oc1ccccc1 963131286 NIEKJHMIMYWORI-NRFANRHFSA-N 363.388 4.551 0 1 FJAF COc1cccc(F)c1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772593049 BVNKXRJRIMRCSG-CQSZACIVSA-N 357.406 4.564 0 1 FJAF O=C(c1ccco1)N1CCC2(CC1)CN(c1ccc(-c3ccccc3)cc1)C2 3955707 OODCRTMCPAPUAI-UHFFFAOYSA-N 372.468 4.689 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1Cc1c2n[nH]c1C(F)(F)F 28526668 STCJOUJYTRRLKN-DFHZNHDVSA-N 362.395 4.704 0 1 FJAF Cc1nc(-c2ccccc2)n2nc(Nc3cccc(C(F)(F)F)c3)ncc12 38345507 IDFIYKSUKKYWOX-UHFFFAOYSA-N 369.350 4.862 0 1 FJAF c1cncc(CCNc2nccn3c(-c4ccc5ccccc5c4)cnc23)c1 45322866 MQLGNLCCWJSVEO-UHFFFAOYSA-N 365.440 4.599 0 1 FJAF COc1ccc(OC)c(-c2cc(N[C@@H]3C[C@@H](C)CC(C)(C)C3)ncn2)c1 82162343 OHKHEADTDAWDIX-HUUCEWRRSA-N 355.482 4.788 0 1 FJAF CCOc1ccccc1N1CCN(Cc2csc3ccccc23)CC1 96283197 IQRVICMQFUJBJE-UHFFFAOYSA-N 352.503 4.622 0 1 FJAF COc1cc(/C=C/c2nnc(-c3ccccc3Cl)o2)cc(OC)c1OC 96284422 LOECOEFDAUWNEW-CMDGGOBGSA-N 372.808 4.586 0 1 FJAF O=C1C[C@H](c2ccccc2Cl)N(Cc2ccccc2)[C@H]2CCCC[C@H]2N1 299845711 QXQUNBGYCUXRRG-QHAWAJNXSA-N 368.908 4.714 0 1 FJAF C[C@H]1CCO[C@H](c2nc3ccc(Br)c(C(F)(F)F)c3[nH]2)C1 586917584 SJQACTFKMHHVRY-XVKPBYJWSA-N 363.177 4.832 0 1 FJAF CCn1cc(-c2nc3ccc(O)c4c3c(c2C)-c2ccccc2C4=O)c(C)n1 586987834 SEABRYDWPAPCKR-UHFFFAOYSA-N 369.424 4.652 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3c(Cl)cnc(Cl)c3[nH]2)cs1 587021156 IMFHIEVDDKCXJX-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF CC(C)(C)c1cccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c12 587040519 HVTMSDHECPXYOL-MSOLQXFVSA-N 351.519 4.807 0 1 FJAF O=C(O)c1cc(F)cc2[nH]c(-c3ccc(-c4ccccc4)c(Cl)n3)nc12 587083837 OEQRKQSGFJGQGB-UHFFFAOYSA-N 367.767 4.783 0 1 FJAF Clc1cc2ccc(-c3nc4cc(Br)cnc4[nH]3)cc2cn1 587084617 FETMLCUQQSBFQU-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCc4cc(Cl)cc(Cl)c41)[C@@H](C2)C3=O 587422419 PSXCMELDUGOQHO-DJJJIMSYSA-N 361.224 4.591 0 1 FJAF CCCCn1cc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c2ccccc21 587430495 HWXXIKCCDLRYAO-UZUQRXQVSA-N 361.441 4.939 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](OCC)C12CCCCC2 587489667 PLUKSUZQNMNZFX-KNQAVFIVSA-N 358.478 4.808 0 1 FJAF CC(C)N(C)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587503042 HCQFTJFVNGRDQM-HXUWFJFHSA-N 350.462 4.512 0 1 FJAF C[C@@]1(c2cc(F)ccc2F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587557389 NEHCAZIGQSFBMW-RXVVDRJESA-N 368.335 4.547 0 1 FJAF Cc1cc(F)ccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587730086 WSUYBVRGVFRGBZ-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cnc(C3CC3)s2)N1 587856167 WJPXVWNITIGQOR-ANRSDYALSA-N 367.287 4.546 0 1 FJAF Cc1ccc(-c2cnc(N)c(C(=O)Nc3ccc4[nH]c(C)cc4c3)c2)cc1 618010373 VXKFLGQRJIEGTF-UHFFFAOYSA-N 356.429 4.681 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccccc1OCC(F)(F)F 963257115 HJDYOXMXVMTVEH-KRWDZBQOSA-N 371.786 4.525 0 1 FJAF C[C@@]1(C2(Cl)CC2)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963832375 OYCNWMWTGXYXFT-OAQYLSRUSA-N 366.892 4.879 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2c1ccc[n+]([O-])c1 1772582606 XGHSVMFGCIFTGH-OBUPQJQESA-N 369.549 4.807 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@]21O 2356387344 PSEOFDBPRHEIQU-UXYMFUMPSA-N 372.549 4.991 0 1 FJAF COc1ccc(-c2c[nH]c([C@H](O)c3ccc(-c4ccccc4)cc3)n2)cc1 61896017 AYHJNXLMRUFQHS-JOCHJYFZSA-N 356.425 4.834 0 3 FJAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccsc1 773851 XNQVLYUWVJPXGD-UHFFFAOYSA-N 358.438 4.985 0 1 FJAF O=C(Oc1ccccc1)N1CCC2(CCCN(c3ccccc3)C2)CC1 3956051 NHGKNFKPVPCJSE-UHFFFAOYSA-N 350.462 4.568 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 13886368 LKCRMGJZGXVDFH-ZWGZPNPDSA-N 357.538 4.515 0 1 FJAF COc1ccc([C@H]2COc3c(ccc4c3C=CC(C)(C)O4)C2)c(OC)c1 15257350 MQSZHVFJSFLOMO-OAHLLOKOSA-N 352.430 4.607 0 1 FJAF biogenic Cc1c(O)nc(SCC(=O)c2ccccc2)nc1CC1CCCCC1 66102783 JVCOXEQMWVLRIX-UHFFFAOYSA-N 356.491 4.588 0 1 FJAF CC(C)(C)c1cc[n+](Cc2ccc(C[n+]3ccc(C(C)(C)C)cc3)cc2)cc1 66156561 FKXZCXLZQSOPPI-UHFFFAOYSA-N 374.572 4.953 0 1 FJAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2ccc(F)cc2)s1 82164389 XSKBSGMBTAQPTL-UHFFFAOYSA-N 354.454 4.569 0 1 FJAF O=C(Nc1ccc(Cl)nc1)c1ccc(NCCc2ccccc2)c(F)c1 84654799 UCTKGDBXYMNFMF-UHFFFAOYSA-N 369.827 4.781 0 1 FJAF O=C(NC(=O)c1ccccc1Cl)OCc1ccc(-c2ccccc2F)o1 103210661 RJPBMNWZYBWFOJ-UHFFFAOYSA-N 373.767 4.806 0 1 FJAF Cc1c(CCC(=O)O)c2ccccc2n1Cc1ccc(O)c(C(C)C)c1 103239841 UCFNGFLMPGVJJA-UHFFFAOYSA-N 351.446 4.844 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@H](N(C)C)CC[C@@]5(C)[C@H]4CC[C@@]32CN1C 253989051 GPLGAQQQNWMVMM-OTEPOETDSA-N 356.598 4.810 0 1 FJAF COC(=O)[C@@H]1C(O)=C2C(=Nc3ccccc3N[C@@H]2c2cccs2)C[C@H]1C 254047988 UKJSXJBJJJWIHD-DPZKZMLUSA-N 368.458 4.629 0 1 FJAF CCN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@H]12 299819502 CAJALTAVRYNFRC-OHZNAXCZSA-N 359.554 4.789 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)C2 586888794 YNLMPJZBZUEVRY-DCAQKATOSA-N 352.381 4.814 0 1 FJAF CCCCc1cc(=O)oc2cc(OCc3nc4ccc(F)cc4[nH]3)ccc12 586918169 JNJWOUSJCAQZEO-UHFFFAOYSA-N 366.392 4.730 0 1 FJAF Cc1cccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c12 586986093 VSGGOJXFCVCPKZ-SFHVURJKSA-N 370.294 4.819 0 1 FJAF C[C@H](C(=O)O)c1ccc(C[C@@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587216102 ZLTWNBPNYSDOIG-KSSFIOAISA-N 357.453 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(CCc1ccc(Br)cc1)O2 587369999 AJHXSTODBOBEHY-LJQANCHMSA-N 374.278 4.696 0 1 FJAF CCOc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCC(C)C 587399701 JJIVASWKCJQBQX-FQEVSTJZSA-N 369.461 4.717 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(C4CCC4)c1F)[C@@H](C2)C3=O 587425994 JPUGMYOKFHGRNE-JTSKRJEESA-N 352.405 4.765 0 1 FJAF CC(C)(C)OC(=O)n1cccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511247 FPQNCRPKAKGQCR-IBGZPJMESA-N 367.445 4.857 0 1 FJAF CCc1nn(CC)c2c1[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514650 HWCUQQSYCPOILE-HSZRJFAPSA-N 364.489 4.541 0 1 FJAF Cc1ccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)cc1 587517322 KVYMYTNCHFTNIZ-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF Cc1ccc(F)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587721456 VVGIGZXWTRNEPX-BBATYDOGSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](Cc2ccccc2)(C2CC2)N1 587813436 CSKVKSQIFGGOLB-XCLFUZPHSA-N 374.297 4.970 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C2(CC(Cc3ccccc3)C2)N1 587819119 GRTGECJKHRAPDK-JUJQQSPASA-N 374.297 4.970 0 1 FJAF CC(C)C(=O)c1c(O)cc(O)cc1OCc1c(Cl)cccc1Cl 1772589731 OJSABWRYWJKNJB-UHFFFAOYSA-N 355.217 4.822 0 1 FJAF COc1ccc2oc(-c3csc4ccccc34)c(OC(C)=O)c(=O)c2c1 1857543567 NMMABVIKXRYSFS-UHFFFAOYSA-N 366.394 4.609 0 1 FJAF Cc1ccccc1Nc1cc(C(=O)NCc2cccnc2)c2ccccc2n1 4910750 XQKAUVZVOHODAE-UHFFFAOYSA-N 368.440 4.612 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cnccn1 13520592 QVTBBCPMVZFZTF-VYAQIDIUSA-N 350.506 4.794 0 1 FJAF CN(C)C/C=C(/c1ccccc1OCc1ccc(Cl)cc1)n1ccnc1 28765447 ISWGRZIXFXZLRY-JAIQZWGSSA-N 367.880 4.566 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccc(C)cc3)s2)cc(OC)c1OC 40424874 ZXORTGFLAFLREA-UHFFFAOYSA-N 368.454 4.980 0 1 FJAF CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc(OCc2ccccc2)cc1 43076987 NKMYIOUUUUMJIS-DEOSSOPVSA-N 370.452 4.963 0 1 FJAF CCCc1nc2c(NCCc3ccccc3F)ncnc2n1C[C@H](C)CC 82180990 FDIKTAJXGGJULB-OAHLLOKOSA-N 369.488 4.619 0 1 FJAF CCCOC[C@]12C[C@H]3[C@H](CC[C@H]3C)[C@@]3(C#N)C[C@H]1C=C(C(C)C)[C@]32C(=O)O 100821829 KTOIBDJFGACHCW-XWRBFHOASA-N 371.521 4.662 0 1 FJAF OC[C@@H]1[C@@H]2CC[C@H]3CC[C@@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 169291774 HMYQAZJCQGMLQI-UAYVMOASSA-N 359.513 4.850 0 1 FJAF CC[C@H](C)Sc1nc([C@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352202 DMGVYRHFDSPCAD-VHSXEESVSA-N 354.878 4.913 0 1 FJAF CC(C)(CO)COc1ccc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)cc1 219711412 GYADRAHIVAWBTI-UHFFFAOYSA-N 373.836 4.584 0 1 FJAF CCc1cc2c(s1)Nc1ccc(F)cc1N=C2N1C[C@H](C)N(C)C[C@H]1C 253690091 QQNNOLZJZYPLTA-QWHCGFSZSA-N 372.513 4.609 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)COc1ccccc1C3 586990130 DEDHSTFMPKQAOQ-UHFFFAOYSA-N 365.388 4.635 0 1 FJAF C[C@H]1CCCc2sc(-n3cccc3)c(-c3nc4cc(N)c(N)cc4[nH]3)c21 587031552 STCIZEAGIQQNES-NSHDSACASA-N 363.490 4.686 0 1 FJAF COc1ccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c(C(F)(F)F)c1 587095474 GBBUJDOAUVSQKD-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF CC(C)Oc1ccc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2c1 587120588 PTLZQQBQYNYTGQ-UHFFFAOYSA-N 360.339 4.912 0 1 FJAF N=C(N)c1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126268 WQKGHAZEMCSQAT-FPYGCLRLSA-N 362.380 4.629 0 1 FJAF COc1c(F)ccc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1N 587133666 YQFTZGULWCKNFP-UHFFFAOYSA-N 363.392 4.539 0 1 FJAF N[C@@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587154312 DBLICIKRFCIGCL-MBSDFSHPSA-N 373.431 4.623 0 1 FJAF C[C@]1(c2ccc(O)cc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587359811 ZVKWLWBXIBWFQB-IFMALSPDSA-N 364.372 4.511 0 1 FJAF CCCCOc1ccc([C@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587399722 JMMKZJGMJBEKJH-HXUWFJFHSA-N 369.461 4.861 0 1 FJAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(C(C)(C)C)[C@@H](C2)C3=O 587444629 WOTSYEBPRMMVSC-MBSDFSHPSA-N 350.458 4.860 0 1 FJAF C[C@@H](COCc1ccccc1)[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587524488 RLTPWSASYATVAB-KSFYIVLOSA-N 350.458 4.752 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2o1 587619820 ZPGWDCFVHNFFPI-DENIHFKCSA-N 358.349 4.841 0 1 FJAF Cc1cc(F)ccc1[C@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587725612 FKYRMZDOTGGWRH-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccncc3c2)N1 587776957 FHVZQUBLRGRTKA-NSPYISDASA-N 371.253 4.760 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587814193 RTLMEMAITLTUFF-HIIUDZQISA-N 370.306 4.589 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nccnc1Cl 587854707 IAGUNQKEMZAMDZ-UHFFFAOYSA-N 369.639 4.688 0 1 FJAF Cc1ccc(-c2cc(C(=O)n3nc4cc3Oc3ccc(F)cc3-4)n[nH]2)cc1C 587875838 NXTPHSQMWPFOIQ-UHFFFAOYSA-N 374.375 4.490 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cc(C)cc(Br)c3[nH]2)c1 587929997 FAAFQAIVKOFWAQ-LBPRGKRZSA-N 359.267 4.989 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc5c(cc4[nH]3)OCCO5)c2)cc1 587934887 HONGLTKZEUQSFP-UHFFFAOYSA-N 358.397 4.677 0 1 FJAF FC(F)(F)c1cccc2c1[C@@]1(CC[C@@H](C3CC3)C1)NCC21CCOCC1 962960537 VEGGELCJPZDOJH-QRWLVFNGSA-N 365.439 4.762 0 1 FJAF COc1cccc([C@@]2(c3ccc(F)cc3)NCCc3cccc(Cl)c32)c1 963391236 QRVQSHKFNAPYDF-JOCHJYFZSA-N 367.851 4.925 0 1 FJAF CCN(Cc1cccc(F)c1)C(=O)Cn1c2ccccc2c2ccccc21 1857546981 PMQWCLKWVDQSIN-UHFFFAOYSA-N 360.432 4.982 0 1 FJAF COc1ccc([C@H]2OCc3ccccc3S2)cc1OC(=O)C(C)(C)C 2356364986 CSYIXIYQSWIEPV-SFHVURJKSA-N 358.459 4.968 0 1 FJAF C=CC(C)=CC[C@@]1(C(=O)O)[C@H]2CCC=C(C)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1C 2356628061 FYPQSDLATSBJTO-YWMIEGDOSA-N 360.494 4.914 0 1 FJAF O=C(C=Cc1ccccc1)NC1=N[C@@H]2CCCCCCCCCC[C@@H]2O1 2356713986 XZORUNHMSUAKIS-UXHICEINSA-N 354.494 4.854 0 1 FJAF COc1ccc(C2=NN(c3ccccc3)C(=O)[C@@H]3CC=CC[C@@H]23)cc1Cl 26155158 QFAHXLIVMRUENH-IAGOWNOFSA-N 366.848 4.682 0 1 FJAF O=[P@@](O)(C[C@H](O)c1ccc(-c2ccccc2)cc1)OCc1ccccc1 40935502 KPPDRGVDXSVMJP-NRFANRHFSA-N 368.369 4.789 0 1 FJAF Cc1[nH]c(C)c(-c2ccc(-c3ccc(F)cc3)nc2)c(=O)c1Br 45169005 BGUPBFLSCKYCLE-UHFFFAOYSA-N 373.225 4.622 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1cccnc1SCc1cccnc1 64548693 YKLCNUJCEHOMBT-UHFFFAOYSA-N 355.850 4.675 0 1 FJAF Clc1ccc(CO[C@@H](CCn2cncn2)c2ccco2)c(Cl)c1 71297099 ZMLXKIKNMZKEDR-INIZCTEOSA-N 352.221 4.526 0 1 FJAF CCOC(=O)c1c(/C=C\CCCCO[C@H]2CCCCO2)cccc1OC 73067712 VKIKPGQXASGXBU-PVABEOQZSA-N 362.466 4.599 0 1 FJAF COc1ccc2nc(C)c3c(C(F)(F)F)nc(-c4ccccc4C)n3c2n1 73159121 MHBOLMRBSQYNJE-UHFFFAOYSA-N 372.350 4.589 0 1 FJAF Cc1ccccc1Cc1cc2c(Nc3ccc(Cl)cc3)nc(N)nc2[nH]1 73197909 DBMRWNHZNFXBSM-UHFFFAOYSA-N 363.852 4.836 0 1 FJAF Nc1nc(-c2cccc(Cl)n2)nc2sc(Cc3ccccc3)cc12 96907797 AZFPAXQMFUACBE-UHFFFAOYSA-N 352.850 4.580 0 1 FJAF CC[C@H]1O[C@@H]2C[C@](C)(c3ccccc3)O[C@@H]2[C@H]1OCc1ccccc1F 103281959 WFENPDFTQXDYOD-LXHROKJGSA-N 356.437 4.593 0 1 FJAF Clc1ccc(C23CCN(CC2)Cc2cc(-c4cncnc4)ccc23)cc1 114351374 BENAFAMTKPICCC-UHFFFAOYSA-N 361.876 4.693 0 1 FJAF CCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)OC[C@@H](O)CO 169359622 JKWIKAYVEWEMLW-WKJYVSPGSA-N 364.526 4.638 0 1 FJAF CC(C)c1cc(-c2nc3cc4c(cc3[nH]2)OCCO4)c(O)c(C(C)C)c1 586896937 UZTCAFOPCDVHJU-UHFFFAOYSA-N 352.434 4.954 0 1 FJAF O=C1c2ccccc2-c2c(Cc3ccccc3F)cnc3ccc(O)c1c23 586988924 SPXOGQQQOAFHDQ-UHFFFAOYSA-N 355.368 4.882 0 1 FJAF Brc1cncc2nc(-c3ncsc3-c3ccccc3)[nH]c12 587028010 MDXAORUGZXDMLY-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF COc1cc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c2cn1 587139760 VCMGZYFLQRRBDK-UHFFFAOYSA-N 361.376 4.642 0 1 FJAF CC(C)[C@@H](c1nc2cc(Br)cc(C(F)(F)F)c2[nH]1)N(C)C 587199137 WXZCDYLBEBCQOZ-LBPRGKRZSA-N 364.209 4.603 0 1 FJAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)[nH]1 587349607 VGGAAPSZWYQKQB-SIKLNZKXSA-N 365.404 4.751 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(Cl)cc(OC)c1)CC2=O 587462648 QEIASXWBTMLHOH-FQEVSTJZSA-N 360.837 4.887 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(-c3cccnc3)s1)CC2=O 587494862 MHMFUMFWPJHEHY-KRWDZBQOSA-N 366.442 4.570 0 1 FJAF Fc1ccc2c(-n3ccnc3)c(-c3ccccc3Br)[nH]c2c1 587632234 HJZPCZLPBCPENG-UHFFFAOYSA-N 356.198 4.922 0 1 FJAF CC(C)n1cccc1[C@@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757327 UUHJCQARNNGOON-DIFFPNOSSA-N 351.263 4.594 0 1 FJAF CCCc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587825548 APGWJYBCYHMTQD-BMLIUANNSA-N 352.247 4.757 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(Cl)cs2)N1 587850128 XGXIESODNQTGGJ-UOWDBTKRSA-N 360.679 4.927 0 1 FJAF CCOC(=O)c1ccc2nc(C3(c4cccc(OC)c4)CCCC3)[nH]c2c1 587933415 NNZISWAQMODQEF-UHFFFAOYSA-N 364.445 4.608 0 1 FJAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@H](C=C(c2ccccc2)c2ccccc2)N1 962898728 FLYCGJMBEQHPQY-GOTSBHOMSA-N 373.427 4.598 0 1 FJAF CN(Cc1ccc(OCc2ccc(F)cc2)cc1)c1cccc(C(=O)O)c1 1857550338 MOCMFDPYPKDKHG-UHFFFAOYSA-N 365.404 4.739 0 1 FJAF Cc1ccnc2ccc(-c3sc(=N)[nH]c3-c3ccc(F)c(Cl)c3)nc12 1857638777 OIKSABOQEJUYMC-UHFFFAOYSA-N 370.840 4.934 0 1 FJAF Brc1cccc(Nc2ncnc3cc4ncsc4cc23)c1 3815241 IRGSEHJOWJXKPV-UHFFFAOYSA-N 357.236 4.746 0 1 FJAF CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(CCc2ccccc2)C[C@@H]1C 5768120 ODPKHHGQKIYCTJ-SXWKCWPCSA-N 364.533 4.771 0 1 FJAF in-man O=C(O)C(=O)c1cn(Cc2ccccc2)c2cc(-c3ccccc3)ccc12 13580610 LXTXGDUTNYMZEC-UHFFFAOYSA-N 355.393 4.624 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C 26393665 YEULSAXOJYTLCB-RUAHKBMVSA-N 359.554 4.739 0 1 FJAF CCC(=O)N(c1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCC[C@@H]1N(C)C 28238647 NPZHJKWPFOHQLU-KBPBESRZSA-N 363.716 4.873 0 1 FJAF Cc1cccc[n+]1CCCCc1ccc(CCCC[n+]2ccccc2C)cc1 28861785 LRYDBKUSPBWLPI-UHFFFAOYSA-N 374.572 4.924 0 1 FJAF COC(=O)[C@H](C)Oc1ccc(N(C)c2ccc(Cl)cc2Cl)cc1 29254426 RKWFTOFKFJYOKZ-NSHDSACASA-N 354.233 4.702 0 1 FJAF CCC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 45351898 JFVQMYLXIIQSQB-QGZVFWFLSA-N 372.900 4.977 0 1 FJAF CCc1c(C)nc2ccccc2c1Nc1ccc(N2CCN(C)CC2)cc1 53228274 YEGLCEJPSSYEQE-UHFFFAOYSA-N 360.505 4.601 0 1 FJAF Cc1c([C@@H](C)OC(=O)Nc2ccccc2)oc2nc(-c3cccs3)nn12 66258371 OXIMUVHHPPICNK-GFCCVEGCSA-N 368.418 4.669 0 1 FJAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccccc2)sc1C 82162587 MKXPWVBBPFPNPA-UHFFFAOYSA-N 352.507 4.976 0 1 FJAF CN(CCc1cccc(O)c1)C(=O)c1ccc(-c2cccc(F)c2)s1 95583996 MFRQPWMIAMYCPR-UHFFFAOYSA-N 355.434 4.575 0 1 FJAF Nc1nc(=S)[nH]c2c1[C@@H](c1ccccc1)c1ccc3cccnc3c1O2 103289569 BJBRFIFLMOWOLT-AWEZNQCLSA-N 358.426 4.555 0 1 FJAF Clc1cccc(Cl)c1CCO[C@H]1CCCC[C@H]1N1CCSC1 142328095 HDTKTGATXZRRTG-SJORKVTESA-N 360.350 4.870 0 1 FJAF Oc1nc2ccc(N3CCC[C@H]4CCCC[C@H]43)nc2nc1-c1ccccc1 299884264 STRGLHVWUDFYLD-CRAIPNDOSA-N 360.461 4.556 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)c(Cl)cc2[nH]1 587040610 PBBZGHXJQWIJBT-LBPRGKRZSA-N 374.293 4.852 0 1 FJAF COc1cccc2[nH]c(-c3noc(C)c3COc3ccccc3Cl)nc12 587063736 UIBZIIIGHLSGGL-UHFFFAOYSA-N 369.808 4.767 0 1 FJAF Oc1nc(-c2ccc(Cl)cc2)ccc1-c1nc2cc3[nH]ncc3cc2[nH]1 587077487 ZASXYLBBNBLMFT-UHFFFAOYSA-N 361.792 4.527 0 1 FJAF Fc1c(Cl)cc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1F 587077585 XGABFTICQZETBN-GFCCVEGCSA-N 368.170 4.765 0 1 FJAF COc1ccc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(C(F)(F)F)c1 587095911 ZCONJYIBVXCLKF-UHFFFAOYSA-N 362.138 4.959 0 1 FJAF Cc1c(Cl)ccc2nc(-c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)[nH]c12 587125960 ICRKHJBSWKQXOP-JMCQJSRRSA-N 369.778 4.696 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1cc(F)cc(F)c1)O2 587386650 VWJJXYLZLBKJJJ-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF COc1cc2c3c(c1)O[C@H](C(C)(C)Sc1ccc(C)cc1)[C@@H](C2)C3=O 587447762 FMMDKTBYZSDEFW-JXFKEZNVSA-N 354.471 4.691 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](C(C)(C)CN1CCCCCC1)CC2=O 587476397 SVCCCHLJDBPLOT-FQEVSTJZSA-N 359.510 4.581 0 1 FJAF O=C1C[C@@H](c2c[nH]c3cc(Cl)ncc23)Oc2c1ccc1c2CCCC1 587496315 BEOSLUXHYCYRBY-SFHVURJKSA-N 352.821 4.802 0 1 FJAF Cc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2cnn(C)c2)c1 587517079 GPHKNLPASDGMJW-HSZRJFAPSA-N 372.468 4.981 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)c(Cl)c1 587558477 SLBVQAJYXYRWNR-XLIONFOSSA-N 370.763 4.888 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cn(C)c3ccccc23)N1 587758654 RHQLNYSSRAMEQL-WLRWDXFRSA-N 373.269 4.704 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2)N1 587809439 AJHVMLQVPYQEKU-YJYMSZOUSA-N 362.286 4.970 0 1 FJAF CCCc1ncc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)s1 587855027 SXMFLNFTLAATDZ-JDNHERCYSA-N 369.303 4.621 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(Cl)nc(Cl)c2[nH]1 587933955 BHBWVQMRTISHJR-UHFFFAOYSA-N 360.244 4.846 0 1 FJAF Fc1ccc([C@@H]2CC(c3ccc4c(c3)OCCO4)=NN2c2ccccc2)cc1 653886930 MTVDATKRZLRSII-NRFANRHFSA-N 374.415 4.953 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2c1cccc([C@H]2CCO2)c1 962719245 SVGDYZLGJNATAH-YHYVQYDKSA-N 369.505 4.740 0 1 FJAF C[C@H](c1cc2cccnc2cc1F)n1cnc2ncc(-c3ccccc3)nc21 1857618719 CPIKYLDPWPXEPT-CQSZACIVSA-N 369.403 4.790 0 1 FJAF Fc1ccc([C@@H](Cn2ccnc2)OCc2nc3ccccc3s2)c(F)c1 2382227648 UJMVPXXTQPZCBP-QGZVFWFLSA-N 371.412 4.729 0 1 FJAF CCCC(=O)c1cnc2c(OC)cccc2c1Nc1cccc(CO)c1C 603497 SPOXYNCHHNYUOA-UHFFFAOYSA-N 364.445 4.771 0 1 FJAF O=C(O)c1cc2ccccc2cc1Nc1ccnc(Nc2ccccc2)n1 14960335 HIBVHTSKJJEIIF-UHFFFAOYSA-N 356.385 4.815 0 1 FJAF CCCc1cc(=O)oc2c([C@H](O)CC)c(OCC)c3c(c12)OC(C)(C)C=C3 25973830 AXGJKBJCZOQDTI-OAHLLOKOSA-N 372.461 4.772 0 1 FJAF O=[P@@](O)(C[C@@H](O)c1ccc(-c2ccccc2)cc1)OCc1ccccc1 40935503 KPPDRGVDXSVMJP-OAQYLSRUSA-N 368.369 4.789 0 1 FJAF Cc1cc2c(c(=S)[nH]1)C(=O)O/C2=C\c1ccc(OC(F)(F)F)cc1 45497348 HSRMRPYNWSCYTB-GHXNOFRVSA-N 353.321 4.620 0 1 FJAF CCCC[C@@H](CC)CNc1nc(NCC)c2cc(OC)c(OC)cc2n1 82137881 GQMWFMDAFJYGJI-CQSZACIVSA-N 360.502 4.707 0 1 FJAF O=C(c1nc(-c2ccccc2)c2cc(Cl)ccc2n1)N1CCCCCC1 84689139 UZLYJSBEBZFSHQ-UHFFFAOYSA-N 365.864 4.966 0 1 FJAF Cc1ccc(S(=O)(=O)Oc2ccc(NCc3cccc(C)c3)cc2)cc1 103220346 VZPVOBMOKXKBNC-UHFFFAOYSA-N 367.470 4.683 0 1 FJAF O=Cc1ccc(-c2cnc(C(=O)CCCCCCc3ccccc3)o2)nc1 103239594 ZOFUFXSNZFJVKN-UHFFFAOYSA-N 362.429 4.925 0 1 FJAF c1ccc2c(COc3nn(CCN4CCCC4)c4ccccc34)cccc2c1 103262987 CPGYXRHSZAOFEZ-UHFFFAOYSA-N 371.484 4.864 0 1 FJAF C[C@H](Nc1nccc(N2C(=O)O[C@@H](c3ccccc3)[C@H]2C)n1)c1ccccc1 142117056 SQROIPJYQITCDT-RZQQEMMASA-N 374.444 4.736 0 1 FJAF OC[C@H](Nc1cc(N2CCCCC2)nc2ccccc12)c1ccc(F)cc1 299840104 ULWHRLFXBWLREQ-NRFANRHFSA-N 365.452 4.510 0 1 FJAF O=C(c1nc(-c2c[nH]c3cc(F)ccc23)c[nH]1)c1c[nH]c2cc(F)ccc12 473111783 BDCZRKGTMVTFSV-UHFFFAOYSA-N 362.339 4.549 0 1 FJAF Cc1nc(-c2ccc(Cl)cc2)sc1-c1nc2nc(Cl)c[nH]c-2n1 587015119 XLRHNGFNGSQYGN-UHFFFAOYSA-N 362.245 4.710 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4cc(CO)ccc4[nH]3)cc2)n1 587020787 FKNJLJNBWSNLLU-UHFFFAOYSA-N 367.499 4.779 0 1 FJAF Cc1cc2nc(-c3cccc(OCn4cc(Cl)cn4)c3)[nH]c2cc1F 587082822 XNUVTOBHFPRCDY-UHFFFAOYSA-N 356.788 4.564 0 1 FJAF Nc1c(F)c(F)cc(-c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c1F 587136491 JFCXMRCQOMFJAC-UHFFFAOYSA-N 365.664 4.902 0 1 FJAF OCc1ccc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c2c1 587164436 QPIVTLGUNCXKQF-YBEGLDIGSA-N 350.418 4.845 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1cccc(F)c1)[C@@H](C2)C3=O 587426205 AMMKBXSAHRWULN-CVDCTZTESA-N 360.384 4.526 0 1 FJAF CCOC(=O)[C@H](CC)[C@@]1(C(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587521413 CWTVEJYAYVZNFA-AVRDEDQJSA-N 358.478 4.515 0 1 FJAF CCn1cc(-c2[nH]c3cc(Cl)c(F)cc3c2C(=O)C(F)(F)F)cn1 587629547 BCUYSWZOHZOJMV-UHFFFAOYSA-N 359.710 4.589 0 1 FJAF Cc1ccccc1C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587810256 CHTGZMMCSBVOFH-DJJJIMSYSA-N 362.286 4.889 0 1 FJAF CC[C@@]1(c2ccc(C)o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831748 YDYROUXJCHUDPY-BMLIUANNSA-N 352.247 4.677 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccc(F)cc4[nH]3)c(O)c2)cc1OC 587927599 SGAVRHWSXJKWGV-UHFFFAOYSA-N 364.376 4.759 0 1 FJAF Brc1ccc(Br)c2[nH]c([C@@H]3C[C@H]4C=C[C@@H]3C4)nc12 587968239 XCJINUHHTHWEJD-DJLDLDEBSA-N 368.072 4.768 0 1 FJAF CC(C)[C@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963121658 KRNJSHZYVFMMPM-LJQANCHMSA-N 364.272 4.737 0 1 FJAF O=C(O)CCc1ccc(OCc2ccccc2SC(F)(F)F)cc1 1772647637 YLWDYILBDNIYEY-UHFFFAOYSA-N 356.365 4.895 0 1 FJAF COc1cccc(C(=O)Nc2ccc(Oc3ccc(O)cc3)c(F)c2F)c1 1857745661 GDAITBQZTPZWTM-UHFFFAOYSA-N 371.339 4.724 0 1 FJAF CC(=O)c1ccc2c(c1)C[C@]1(O2)[C@@H](C)CC[C@@H](OC(=O)C=C(C)C)C1(C)C 2356397338 AXJLAMRDMMTQFT-NQKDMWHGSA-N 370.489 4.897 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC 2356478524 HSNPSWRYBNJNOF-UFGBVDADSA-N 362.510 4.670 0 1 FJAF COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccccc3)n2c1 72135781 ZKRVHZSQHPJBJU-UHFFFAOYSA-N 360.388 4.518 0 3 FJAF CCOc1ccccc1C(=O)Nc1cccc(NC(=O)c2cccc(C)c2)c1 169305246 SBGANYDMSRERBE-UHFFFAOYSA-N 374.440 4.898 0 3 FJAF CC(C)c1ccc(O[C@](C)(Cc2ccc(Cl)cc2)c2nnn[nH]2)cc1 13604893 HEVOMWVRCBZWPW-LJQANCHMSA-N 356.857 4.513 0 1 FJAF CCOc1ccc(-c2nc(-c3ccccc3C(=O)O)cs2)cc1OCC 27108475 DGBJJMXUFOTQHZ-UHFFFAOYSA-N 369.442 4.973 0 1 FJAF Clc1ccc(Cn2ncc3c(SCc4ccccc4)ncnc32)cc1 28894521 FCXDDVDGQYOQDK-UHFFFAOYSA-N 366.877 4.820 0 1 FJAF CCCO[C@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@H]2CO1 58576180 QAAPYLBSSDSCQW-XZOQPEGZSA-N 351.490 4.818 0 1 FJAF CCc1ccc2c(c1)CC=C(c1ccccc1)C(N1CCN(C(C)C)CC1)=N2 102091603 OXGFUMZROOXADD-UHFFFAOYSA-N 373.544 4.945 0 1 FJAF CCOc1cccc(CN2C(=O)[C@H](C)C[C@H]2c2c(F)cccc2OCC)c1 167581717 LWBJANYLUOJSLI-BEFAXECRSA-N 371.452 4.733 0 1 FJAF CC(=O)N[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 238731805 VCWPWIIAWRHOAN-WKDAKXDRSA-N 361.570 4.531 0 1 FJAF CCc1c(Cc2ccco2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586991932 RAMLZDHSUYXJGY-UHFFFAOYSA-N 355.393 4.898 0 1 FJAF Cc1ccc2c(c1O)-c1nc3ccc(O)c4c3c(c1C2)-c1ccccc1C4=O 586992358 VVEBBGULUKWUFG-UHFFFAOYSA-N 365.388 4.737 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4ncnc(Cl)c4[nH]3)cc2)n1 587020795 YJLLLCQYOGUJAC-UHFFFAOYSA-N 373.894 4.731 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587068094 YHSLFGMPMNCWTG-GFCCVEGCSA-N 370.815 4.990 0 1 FJAF Cc1cc(-c2nc3c(C)cncc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587145011 QFWLIBRBKUVIGS-UHFFFAOYSA-N 361.376 4.746 0 1 FJAF Fc1ccc(/C=C\c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 587149656 OZEWNGYXDUCNAX-RQOWECAXSA-N 370.584 4.822 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@@H](c1ccccc1)c1nc2cccc(F)c2[nH]1 587191583 MOGYSRATAWIXKL-KRWDZBQOSA-N 355.413 4.658 0 1 FJAF N=c1cc(-c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)c2ccccc2[nH]1 587254323 RELNGGAHMPAFKS-UHFFFAOYSA-N 362.742 4.863 0 1 FJAF Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)n1 587375264 LZQPDFJFNPJPPF-FXAWDEMLSA-N 369.417 4.571 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(C(F)(F)F)nc1C)CC2=O 587464131 JDKSKWSXNGPVQJ-INIZCTEOSA-N 365.351 4.773 0 1 FJAF O=Cc1ccc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)o2)o1 587534825 ZGRLVBBRMSYBSA-OAQYLSRUSA-N 362.381 4.937 0 1 FJAF Cc1c([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)[nH]c2ccccc12 587588860 MGLGDZSAMBSNFU-XXBNENTESA-N 371.392 4.885 0 1 FJAF CCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587615648 XIQIVZQXBJHJAX-YLJYHZDGSA-N 352.411 4.719 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2occc2c1 587617481 PVRXRZYNEBCUHT-DENIHFKCSA-N 358.349 4.841 0 1 FJAF Cc1nn(C)cc1-c1[nH]c2c(C)cc(Cl)cc2c1C(=O)C(F)(F)F 587623890 BQCMVJQVWOYALC-UHFFFAOYSA-N 355.747 4.584 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@@H]2C[C@H]3CC[C@H]2C3)N1 587819744 MWEOBJNUZVJZFV-PAKRVPSDSA-N 352.291 4.774 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587820144 YIYQWWVANFUUGQ-BLVKFPJESA-N 360.270 4.621 0 1 FJAF Cc1cc2c(o1)CCC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587834493 RVDRYVISZKKAOK-XTZNXHDOSA-N 364.258 4.604 0 1 FJAF CCCc1csc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)n1 587853339 QAQNQOJDSDWHCA-PSLIRLAXSA-N 369.303 4.621 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3cc4c(cc3[nH]2)OCCO4)cc1 587959038 LHMDDYNYAJTHNZ-UHFFFAOYSA-N 356.425 4.900 0 1 FJAF CC1=COc2ccccc2[C@]12c1ccsc1CCN2Cc1cccn1C 962373427 LWTPKNNBHLMZKM-QFIPXVFZSA-N 362.498 4.685 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cc(-c3ccccc3)nn2C)N1 962947512 NRTFLPUDQKCISH-MWTRTKDXSA-N 356.473 4.582 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2cc(C(C)=O)cc(C(C)=O)c2)N1 962958847 VBNGLSAHPBXHRA-NTKDMRAZSA-N 374.484 4.761 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1cncc(-c2ccccc2)c1 963059118 SJIGMGNLUJEPRO-HSZRJFAPSA-N 367.452 4.541 0 1 FJAF CCc1c2cc(C(F)(F)F)ccc2n2cc(Cc3ccccc3)[nH]c(=O)c12 1857639260 PRCMEBOIYCUAHP-UHFFFAOYSA-N 370.374 4.953 0 1 FJAF O=C(Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1)c1ccc(F)cc1 1911572632 BINSJZHKWMOQFA-UHFFFAOYSA-N 370.330 4.609 0 1 FJAF CC(=O)CCCCCCCCCCCC[C@@H]1OC(=O)[C@@H](C)[C@@H]1C(=O)O 2356405847 GITAQGNGLWXMTE-BZSNNMDCSA-N 354.487 4.519 0 1 FJAF COc1cccc([C@](C)(O)c2nc(-c3cccc4cccnc34)cs2)c1 61926751 RGQQWFHGFLKQBJ-NRFANRHFSA-N 362.454 4.623 0 3 FJAF COc1cccc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12 115943956 QWFNFRGIGMOZJY-UHFFFAOYSA-N 370.456 4.863 0 3 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C/C(=C\c1ccccn1)[C@@H]2O 13681708 NEJZGGCMSBCPLE-HMCHNTTOSA-N 361.485 4.698 0 1 FJAF in-vivo COc1ccc(-c2cscc2-c2ccc(S(C)(=O)=O)cc2)cc1F 26732703 KKVZAQDXNZBKJV-UHFFFAOYSA-N 362.447 4.633 0 1 FJAF COc1ccc([C@@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@H](C)[C@@H]2C)cc1OC 29554970 JLJAVUZBHSLLJL-IETVQMFBSA-N 372.461 4.806 0 1 FJAF biogenic,in-vitro O=C(O)c1ccc(C(=O)Nc2cc3c4c(c2)CCCCC4CCCC3)nc1 59027164 PUQKXEZPGZCJCS-UHFFFAOYSA-N 364.445 4.569 0 1 FJAF Cc1ccc(-c2nc(CN3CCN(c4cccc(C)c4)[C@H](C)C3)co2)cc1 72183285 ATEBBSVLOJTGIY-LJQANCHMSA-N 361.489 4.669 0 1 FJAF O=C1CC(=O)CC([C@H]2C[C@@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 103010139 ZGNWACSWSPOQCW-HUUCEWRRSA-N 364.285 4.766 0 1 FJAF COC(=O)CN1[C@H](CCc2ccccc2)CCC[C@@H]1CCc1ccccc1 103301407 MJENRLIZZZCJQD-ZRZAMGCNSA-N 365.517 4.648 0 1 FJAF COc1ccc2c(=O)cc(-c3ccccc3)oc2c1/C=C/C(C)(C)OC 140099416 ZEGZKBKPOMECDI-OUKQBFOZSA-N 350.414 4.907 0 1 FJAF C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1Cl 169352190 OVTHJDDPUVYTSJ-JTQLQIEISA-N 352.862 4.749 0 1 FJAF CC[C@@H](C)CNC(=O)c1cncc(-c2ccc(CNC3CCCC3)cc2)c1 206766691 DGVQVYFIGDBSOS-QGZVFWFLSA-N 365.521 4.557 0 1 FJAF O=C(O)c1cc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c2cc1F 587016292 USZSBWSCSFNJGR-UHFFFAOYSA-N 373.796 4.844 0 1 FJAF Cc1nc2[nH]c(-c3csc4ccc(O)cc34)nc2cc1Br 587032356 IKHXJBCEFDDXJL-UHFFFAOYSA-N 360.236 4.616 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4ccc(Br)nc4[nH]3)C2)c1 587131291 CJEAABQUBACIQZ-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF Fc1cc(Br)ccc1-c1nc2cc(C(F)(F)F)cnc2[nH]1 587142486 CEAZXDZPEDGLCI-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF N[C@@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@H]1c1ccccc1F 587155209 INEHNXIKXDAGQJ-SBUREZEXSA-N 373.431 4.623 0 1 FJAF Fc1ccc2[nH]cc(Cc3nc4ccc(Br)c(F)c4[nH]3)c2c1 587174060 FAXKNOXSZXYDQG-UHFFFAOYSA-N 362.177 4.676 0 1 FJAF Fc1ccc2c(c1)C[C@@H](c1nc3ccc(SC(F)(F)F)cc3[nH]1)O2 587174761 SDRRAYFKZDNFCJ-AWEZNQCLSA-N 354.328 4.990 0 1 FJAF COC(=O)Nc1ccc(-c2nc3c(C)c(C)c(Br)cc3[nH]2)cc1 587243485 MTXFBHZONPARFO-UHFFFAOYSA-N 374.238 4.788 0 1 FJAF O=C(c1coc2ccccc12)C1CCN(C(=O)OCc2ccccc2)CC1 587280852 CSDKUJRBLQAPHC-UHFFFAOYSA-N 363.413 4.664 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1nc3ccccc3n1CCC(C)C)O2 587389150 FNPXZMAWEJEVHI-FQEVSTJZSA-N 363.461 4.680 0 1 FJAF CCc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603347 MIVOGZDSXFDDFP-XUZZJYLKSA-N 372.420 4.758 0 1 FJAF Fc1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781029 OOJKWEPSKAEXHR-DAXSKMNVSA-N 361.214 4.695 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3ccccc32)N1 587817052 HOLFAKFBLKZBRQ-BUXKBTBVSA-N 360.270 4.702 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 962943275 GKBXEAOYKBCXGP-RDTXWAMCSA-N 372.390 4.927 0 1 FJAF CCN(CC)c1ccc(N(C)C(=O)c2c(-c3ccccc3)noc2C)cc1 1857583681 KCNRDDNMMNLUTG-UHFFFAOYSA-N 363.461 4.773 0 1 FJAF Cc1cc2nc(C3CCNCC3)n(Cc3ccc(F)c(Cl)c3)c2cc1C 1857759015 UFYPAIFSTGGFNP-UHFFFAOYSA-N 371.887 4.961 0 1 FJAF CC(=O)Oc1c(C(C)C)cc2c(c1O)[C@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 2356549570 HCYUBEIEJHOEDS-ZHRRBRCNSA-N 374.477 4.536 0 1 FJAF COc1ccc2oc(-c3ccccc3)c(CCNC(=O)c3ccco3)c2c1 13474361 WKKASSWEJNZSOP-UHFFFAOYSA-N 361.397 4.674 0 1 FJAF CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCC 13528699 ZTVIFZQDIJSFNH-UHFFFAOYSA-N 361.804 4.963 0 1 FJAF C/C=C1\C[C@@]2(C)[C@H](CC[C@@]23CCC(=O)O3)[C@@H]2CCC3=CC(=O)CCC3=C12 26483955 NQTJYLUENOWMAI-GXBMCWSVSA-N 352.474 4.824 0 1 FJAF CC[C@]1(CCCCN2CCc3sccc3C2)C(=O)Nc2ccccc21 29053857 RNEXHGFWHNWMNQ-OAQYLSRUSA-N 354.519 4.577 0 1 FJAF Cc1ccc(-c2ccnn2Cc2cccc(OCc3ccccc3)c2)cn1 45301595 AOLBMQCYJPLKLG-UHFFFAOYSA-N 355.441 4.881 0 1 FJAF Cc1ccc(N2CCN(Cc3coc(-c4ccccc4C)n3)CC2)cc1C 72140866 HOHNJMFEHRKVGZ-UHFFFAOYSA-N 361.489 4.589 0 1 FJAF CC(C)[C@H](O)c1nnc(Nc2ccc(OCc3ccccc3)cc2)s1 82078145 SLNCXRGVWRFKPQ-KRWDZBQOSA-N 355.463 4.550 0 1 FJAF O=C1N(c2ccccc2)c2nc(=S)sc(O)c2[C@@H]2CCCCCN12 96935405 OWIHVELGSPPGGW-LBPRGKRZSA-N 359.476 4.767 0 1 FJAF CN(Cc1ccccc1)[C@H](c1ccncc1)c1ccc2cccnc2c1O 115629138 JHFVJKJAKNOTNA-JOCHJYFZSA-N 355.441 4.557 0 1 FJAF CN[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 141912295 YYZXRKLXYNZSDC-DKNXKHEBSA-N 351.538 4.575 0 1 FJAF COc1cc(C(F)(F)F)ccc1-c1ccc(-c2cnc(N)cn2)c(F)c1 224789760 UJBSXPZGBKGEQR-UHFFFAOYSA-N 363.314 4.559 0 1 FJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cncnc1 261186158 XMXLTCQVKKQCBG-AJSVUVGVSA-N 350.506 4.794 0 1 FJAF Clc1ncc([C@@H]2C[C@H]3CC[C@H]2N3)cc1-c1cccc(Br)c1 328577266 AZUKJENWDLWCOX-IJEWVQPXSA-N 363.686 4.772 0 1 FJAF in-vitro COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2ccc3c(c2[nH]1)CCCC3 586918720 ZVIUZQLUSBOMAX-MBSDFSHPSA-N 360.457 4.658 0 1 FJAF CC(C)Oc1ccc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c2c1 587006612 JQIFMGNWJVBAST-UHFFFAOYSA-N 371.238 4.656 0 1 FJAF COc1c(Cl)cc(Cl)c(OC)c1-c1nc2c(C)nc(C)cc2[nH]1 587044657 LCOJSOGZOXLVRN-UHFFFAOYSA-N 352.221 4.566 0 1 FJAF O=C(O)c1cc(F)cc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c12 587048294 GULARUVBDUBHER-DTWKUNHWSA-N 365.191 4.978 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(F)cc(Br)cc2[nH]1 587071640 LYNKGZXPKMZWGF-UHFFFAOYSA-N 367.605 4.543 0 1 FJAF O=C(O)c1cccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c12 587095372 VOBTZCBPBHVKJT-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF C[C@]1(c2nc3ccc(C(F)(F)F)cc3[nH]2)C=C(c2ccccc2F)NO1 587157342 SQRVTOCJFPQIGH-QGZVFWFLSA-N 363.314 4.512 0 1 FJAF c1ccc(CNc2ncccc2-c2nc3cnc4ccccc4c3[nH]2)cc1 587230002 PSOBHPDICJTHOE-UHFFFAOYSA-N 351.413 4.785 0 1 FJAF COc1ccc([C@@]2(c3ccccc3C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404300 WJQAETTXBAOSLG-XMMPIXPASA-N 373.452 4.803 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1cccs1)(c1cccs1)O2 587411263 CHWPWGMTOLCZGL-LJQANCHMSA-N 355.484 4.804 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cccc3nc(CC)oc13)CC2=O 587486443 UFKOQDCBHRHGNQ-JOCHJYFZSA-N 365.429 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(C)cc1)CC2=O 587486805 ULELRNWJXNOCTK-FQEVSTJZSA-N 362.429 4.750 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC(F)F 587502581 FONWNMFDXMECLQ-SFHVURJKSA-N 374.383 4.882 0 1 FJAF O=C1C[C@@H](c2ccc(OCC(F)F)cc2)Oc2c1ccc1c2CCCC1 587506348 NOMWMZSPFYCCHP-IBGZPJMESA-N 358.384 4.916 0 1 FJAF COc1ccc2c(c1)c([C@H]1CC(=O)c3ccc4c(c3O1)CCCC4)cn2C 587514575 HDCMXZLJNJXWKM-JOCHJYFZSA-N 361.441 4.772 0 1 FJAF Cc1cc2c(cc1-c1ccc3c(O)nc(O)nc3n1)C(C)(C)[C@@H](C)C2(C)C 587561418 HJEVZVIFBTYNTC-LBPRGKRZSA-N 363.461 4.616 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(NC(C)=O)cc3)c(CC(=O)O)c2c1 587643624 VSAMGWNOQGIVCW-CYBMUJFWSA-N 364.445 4.934 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)cc2Cl)N1 587692502 HLVSAIMRMRGZJZ-ZKANADHPSA-N 370.649 4.571 0 1 FJAF CC1=C[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)[C@H]2C[C@@H]1C2(C)C 587818056 PDOQBNUIBQOQMQ-UJFVYYJSSA-N 364.302 4.940 0 1 FJAF COc1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)cc1OC 587927398 TZRKYNZZZXSMCA-UHFFFAOYSA-N 374.440 4.750 0 1 FJAF Cc1nc2sccn2c1[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962663057 DPPKCTXLIHJFJI-JOCHJYFZSA-N 359.498 4.780 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@@H](CC)Cc2c1[nH]c1ccccc21 962942804 BZMGSJJNODOZFY-DJJJIMSYSA-N 356.901 4.750 0 1 FJAF Cc1ccnc2c1CCN[C@]21C=C(c2ccccc2)Oc2ccc(Cl)cc21 963076909 UBLBQWGXESZWCE-QHCPKHFHSA-N 374.871 4.866 0 1 FJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)c2ccc(F)cc2C[C@@H]2CCCN21 963105192 LZQOLZDVMLQUHM-FDDCHVKYSA-N 367.464 4.661 0 1 FJAF CC1=C[C@H](CNCC(C)C)[C@@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 2356287102 ZWQSQNCXZBFYLO-IPMKNSEASA-N 354.542 4.601 0 1 FJAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 2356682241 PDKQWVGVSXAXRB-GEMVSBEOSA-N 374.565 4.800 0 1 FJAF COc1cc(Cl)ccc1O[C@@]1(C)CCN(Cc2c(F)cccc2F)C1 61898671 KDNIVYSLERPAGP-IBGZPJMESA-N 367.823 4.670 0 3 FJAF CSc1ccccc1N1C(=O)N[C@H]2C[C@]1(C)Oc1ccc(Cl)cc12 2468497 LEYWSAVZBHNGAB-UGSOOPFHSA-N 360.866 4.832 0 1 FJAF CN(C)C[C@H]1CCCC[C@H]1[C@@]1(O)c2ccccc2CSc2sccc21 13111043 YKADOOIFTVIBPM-QLVMHMETSA-N 373.587 4.958 0 1 FJAF O=c1[nH]c2cc(Cl)ccc2c(OCc2cccnc2)c1-c1ccccc1 26576576 QFEIOLJGWLDQFG-UHFFFAOYSA-N 362.816 4.823 0 1 FJAF Cc1cccc(N2CCN(CCCSc3ccc(Cl)cc3)CC2)c1 28886910 NGYYKLBULMCJDX-UHFFFAOYSA-N 360.954 4.953 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 36289121 JLDPRWUTMGAVLL-AOYPEHQESA-N 372.556 4.860 0 1 FJAF Cn1cc(-c2cc3c(Nc4ccc(C(F)(F)F)cc4)nccc3[nH]2)cn1 74387120 YEDRNZZCWXVOBF-UHFFFAOYSA-N 357.339 4.726 0 1 FJAF COC[C@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cncs2)c1 113768102 ZBMVFELJPYWEDW-HNNXBMFYSA-N 366.486 4.550 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1sc3ccccc3c1Cl)NCC2 144724668 XRYFPBVJOHOWLG-GOSISDBHSA-N 359.878 4.807 0 1 FJAF Cn1cc(-c2cc(Cl)c3ncc(Cc4ccc5ncccc5c4)n3c2)cn1 205312925 UNEXBUPPDWPCJV-UHFFFAOYSA-N 373.847 4.527 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@H]1c1nc2cc3ccccc3cc2[nH]1 586915950 JINABXROCQHELP-MBSDFSHPSA-N 356.425 4.933 0 1 FJAF Clc1cccc(-c2cc(-c3nc4nc(Cl)c(Cl)cc4[nH]3)n[nH]2)c1 587068771 YOAUCCOBJGSBMW-UHFFFAOYSA-N 364.623 4.975 0 1 FJAF O=C(O)c1cc(F)cc2[nH]c(-c3ccncc3-c3ccc(Cl)cc3)nc12 587077357 VSQTXTYRPNTEOT-UHFFFAOYSA-N 367.767 4.783 0 1 FJAF Cc1c(-c2c[nH]c(C(=O)O)c2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587096089 GJQPMUPNEFXVSF-UHFFFAOYSA-N 368.392 4.756 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccc(F)cc3-c3ccc(C=O)cc3)nc2c1 587158403 LQKUZVAZPLMIBS-UHFFFAOYSA-N 374.371 4.635 0 1 FJAF COc1ccc2c(c1Br)-c1nc3cccc4c3c(c1C2)CC4 587209013 FJRWSFQGFZAOOE-UHFFFAOYSA-N 352.231 4.676 0 1 FJAF O=C(c1cnn2c1NC(=C1CC1)C=C2C(F)(F)F)c1coc2ccccc12 587281097 VDWIEDALUMGPRP-UHFFFAOYSA-N 371.318 4.737 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(N(C)CC)cc1)CC2=O 587467639 FXCTZASQIBRHSM-QFIPXVFZSA-N 353.462 4.681 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)COC(C)(C)O3)CC2=O 587482984 PYZNKNMZNCQUGS-HXUWFJFHSA-N 368.429 4.696 0 1 FJAF O=C1C[C@H](c2ccc(Br)c(O)c2)Oc2c1ccc1c2CCCC1 587496081 GXJLWCADMBGFRK-GOSISDBHSA-N 373.246 4.740 0 1 FJAF C[C@@]1(c2ccc(OCCF)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507229 PGAXUQYHGDMUIS-QFIPXVFZSA-N 354.421 4.794 0 1 FJAF Cc1ccc2occ([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2c1 587532546 OOGYRYOQLWWXEI-OAQYLSRUSA-N 360.409 4.687 0 1 FJAF Cc1cccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c12 587588164 JVIJFLIDRNHHEI-XXBNENTESA-N 371.392 4.885 0 1 FJAF CCc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587603763 RMGYEAYBFJHBKG-NZQKXSOJSA-N 360.409 4.832 0 1 FJAF CC(C)[C@@H]1CCCC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603811 PQVRHHSYEOGBTA-NBCNXNJRSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(Cl)cc2)N1 587693390 DOXUWVGLIHVKDR-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cccnc23)N1 587777710 JCTYGMJQEOPXCU-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1cccc(C)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 587786748 MFSZKBMUWCJVEN-UHFFFAOYSA-N 351.631 4.963 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cc[nH]c23)N1 587803478 QAFIKCDLBCDQHO-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncc(Cl)cc1Cl 587870485 AIVCUTGJIJANPJ-UHFFFAOYSA-N 352.196 4.779 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1ncnc2sc(CC)cc12 587871834 CYZQGRSQORQTEG-UHFFFAOYSA-N 368.437 4.644 0 1 FJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/C[C@]12CC(=O)O[C@H](C1)[C@@H](O)CC2=O 685935522 RHVATUPILPBCCA-DBGCXORASA-N 374.521 4.821 0 1 FJAF biogenic,in-vitro C[C@@]1(Cc2ccc(F)cc2)c2cccc(F)c2CCN1[C@@H]1CCSC1 962716676 VRMJZYKRAQGKKB-DYESRHJHSA-N 359.485 4.786 0 1 FJAF O=C([C@H]1Cc2ccccc2[C@H](c2ccc(Cl)cc2Cl)N1)C(F)(F)F 962729090 GPNJVXYUHQOJPY-HUUCEWRRSA-N 374.189 4.729 0 1 FJAF O=C(c1cc2ccncc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857616757 CPTVUPCVDOXJKD-UHFFFAOYSA-N 373.378 4.602 0 1 FJAF CCCN1CC(=O)Nc2ccc(-c3ccncc3)cc2[C@@H]1c1ccccc1 1911575220 KKKGHDZFIPXKBH-QHCPKHFHSA-N 357.457 4.502 0 1 FJAF CC(=O)OC[C@H](C)c1cc2c(cc1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O 2356497113 ARKOXDSPJUWTIG-DLQQFWPKSA-N 358.478 4.729 0 1 FJAF CC=C(CC)C[C@H](CC)C(=O)NC(=N)NC(=O)[C@H](CC)CC(=CC)CC 2356512391 ZSZIXCDEUHZLAH-HDICACEKSA-N 363.546 4.699 0 1 FJAF COc1cc(Nc2ccc(F)c3[nH]c(C(=O)O)cc23)cc(C(F)(F)F)c1 2382236594 MGTNBVOUZVYMIH-UHFFFAOYSA-N 368.286 4.776 0 1 FJAF N[C@@H](Cc1ccc(Cl)cc1)c1csc(NC(=O)Nc2ccccc2)n1 61903290 SHLFHGPJSLTUOV-HNNXBMFYSA-N 372.881 4.683 0 3 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)c(C(C)C)cc3CC[C@H]21 5493005 XLBOQTQJCHSDJO-YMPZKCBVSA-N 372.505 4.919 0 1 FJAF CCCCOC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610536 RGINYUCAKHBHGR-VBYBJILESA-N 358.522 4.652 0 1 FJAF Cc1c(C(C)C)o/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n1CC1CC1 29124921 YWQMLWYUZRZKQX-NKFKGCMQSA-N 366.383 4.683 0 1 FJAF COc1ccc(C)cc1Nc1nc(N)c(C(=O)c2ccc(C)cc2C)s1 32947900 MSLJIKRHQKIKSO-UHFFFAOYSA-N 367.474 4.634 0 1 FJAF COc1ccc(-c2nc3n(c2-c2ccc(OC)c(C)c2)CCS3)cc1C 34079703 DSRORJJUMZJROG-UHFFFAOYSA-N 366.486 4.957 0 1 FJAF COc1cc2c(cc1Cl)CCN[C@@H]2Cc1ccccc1Br 45256652 UPFCRQLDAJBOAV-MRXNPFEDSA-N 366.686 4.541 0 1 FJAF CCCC[C@H](C)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316678 HOCKHWOFIRTBOW-UQBGWGGYSA-N 352.515 4.750 0 1 FJAF CCc1cc(/C=C/c2ccccc2)cc(CC)c1OC[C@H](O)CNC(C)C 169318872 NTTBVFIBUPFHRM-MDRMPYQZSA-N 367.533 4.720 0 1 FJAF Cc1ccc(-c2cc([C@@H](O)C[C@@H]3CCCCN3)c3cc(F)ccc3n2)cc1 169334814 JOQWCIZAXJWNHJ-MBSDFSHPSA-N 364.464 4.915 0 1 FJAF CC(=O)c1cccc(N=c2sc3c(C)c(O)c4ccccc4c3n2C)c1 377807777 ZRTQCOVPKCJCRS-UHFFFAOYSA-N 362.454 4.842 0 1 FJAF Fc1cc(Br)c2[nH]c(CCc3ccccc3Cl)nc2c1 587059761 VMWRKVYUUIBONR-UHFFFAOYSA-N 353.622 4.903 0 1 FJAF CCOC(=O)Cc1nc2cccc3c2c(c1CC(C)C)-c1ccccc1C3=O 587107257 QZDWRDXVDGBYOQ-UHFFFAOYSA-N 373.452 4.750 0 1 FJAF Oc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110295 QJOGVSCSRVYGKA-UHFFFAOYSA-N 360.257 4.897 0 1 FJAF Cc1cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c2cc1Br 587115611 RSYHGMLIHXJLQU-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF COC(=O)[C@@H]1CCc2c1nc1c(oc3ccccc31)c2-c1cccc(OC)c1 587361831 CEIHXPKZUIDTFT-QGZVFWFLSA-N 373.408 4.859 0 1 FJAF CCc1ccc(CC(C)(C)[C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446519 YGLJJYDLCRTTBW-GCJKJVERSA-N 350.458 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccc(C)cc3)c1)CC2=O 587479379 ZBUUKROWMVNYEI-NRFANRHFSA-N 362.429 4.545 0 1 FJAF O=C1C[C@H](c2c[nH]c3nc(Cl)ccc23)Oc2c1ccc1c2CCCC1 587499900 NYEPORSAKGKBET-QGZVFWFLSA-N 352.821 4.802 0 1 FJAF COc1cc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1S 587530050 AQZVDAQYUBVZPL-OAQYLSRUSA-N 354.471 4.743 0 1 FJAF C[C@]1(CCCC(F)(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587544613 FIMBKTJXIBBBAQ-MAUKXSAKSA-N 366.335 4.845 0 1 FJAF Cc1ccc(-c2csc(C3(O)CCN(Cc4ccccc4)CC3)n2)cc1 653719012 BFCNHXMTZFBQAJ-UHFFFAOYSA-N 364.514 4.602 0 1 FJAF COc1cc2oc(-c3cn4nc(C(C)(F)F)sc4n3)cc2cc1Cl 653758341 OLFZQURBOUXFKN-UHFFFAOYSA-N 369.780 4.978 0 1 FJAF O=C(c1ccc(-c2ccc(O)c(Cl)c2)s1)c1c(F)ccc(O)c1F 1772638380 MHGINHFUACJCCL-UHFFFAOYSA-N 366.772 4.989 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(C[C@H](F)c2ccccc2F)CC1 1857543217 HVODMMOXSRCMCA-NRFANRHFSA-N 372.459 4.744 0 1 FJAF COc1ccc(-c2ccc(C(=O)c3cc(F)c(F)c(O)c3F)s2)cc1 1857653591 HKLVEBJXKKXAOC-UHFFFAOYSA-N 364.344 4.778 0 1 FJAF COC(=O)C=CC=C[C@@H]1[C@H](C=CC=CCCCC(=O)O)C=C[C@@H]2CCC[C@@H]12 2356553569 FMNXZOPVRFLFPQ-PLACYPQZSA-N 370.489 4.858 0 1 FJAF COC(=O)C=C(C)CC[C@@H]1[C@H](C(=O)OC)CC[C@H]2C(C)(C)CCC[C@]21C 2356587033 WDMMGTWRGDEGNH-QLDGJZPUSA-N 364.526 4.918 0 1 FJAF COC(=O)C1=C2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]2CC[C@@H]1C 2356687696 YFTPYZDSHBLAJW-WBGAZDJCSA-N 362.510 4.670 0 1 FJAF O=C(O)c1cc2c(Nc3cc(Br)ccc3F)ccc(F)c2[nH]1 2382229697 JHLJZSZOZILXRU-UHFFFAOYSA-N 367.149 4.650 0 1 FJAF O=C(Nc1ccccc1Cl)N1CCC[C@H]1c1nc(-c2ccccc2)no1 2382259131 KGSRMCJKTDAFEV-INIZCTEOSA-N 368.824 4.759 0 1 FJAF CCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1 3832260 DGMAXJPIGMQHRJ-UHFFFAOYSA-N 361.449 4.801 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)COC(=O)CC(=O)O 13302984 CTEBYFKLDQEMJB-WTIAFYNJSA-N 372.505 4.838 0 1 FJAF biogenic CCCN(CCC)[C@H]1COc2c(cccc2-c2c(OC)cccc2OC)C1 13581265 DVEUPIAVYAIYIM-GOSISDBHSA-N 369.505 4.796 0 1 FJAF COc1cc([C@H]2O[C@@H](c3ccc(OC)c(OC)c3)[C@@H](C)[C@@H]2C)ccc1O 14727696 YPQNDHHCUQGPFN-BKOMJCAWSA-N 358.434 4.503 0 1 FJAF CCCCCCC(CCCCCC)NC(=O)CCCc1c[nH]c(N)n1 43013591 WKHWXZVYODILOE-UHFFFAOYSA-N 350.551 4.740 0 1 FJAF NC(=O)c1ccc2nc(-c3ccc(Oc4ccc(F)cc4)cc3)sc2c1 45365833 FQBCDMZKEPXERC-UHFFFAOYSA-N 364.401 4.994 0 1 FJAF CC[C@H](C)Cn1c(C(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179694 DLRHVQXAGICCAD-HNNXBMFYSA-N 369.488 4.790 0 1 FJAF COc1ccccc1CN(C(=O)CF)c1ccccc1OC1CCCC1 84689969 GJOXPERCMDUMRY-UHFFFAOYSA-N 357.425 4.519 0 1 FJAF CN(C(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)C[C@H]2CC[C@H]1N2C)c1ccccc1 100728625 QBSLGQKCSOHHBR-PLACYPQZSA-N 368.908 4.569 0 1 FJAF O=C1Nc2ccc(S(=O)(=O)Cc3ccc4ccccc4c3)c3cccc1c23 103265084 PHVUMUDGCUFWCK-UHFFFAOYSA-N 373.433 4.533 0 1 FJAF Cc1noc(C2=CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 118921598 COZFNHBLQWTHAU-CSOYKPOESA-N 354.494 4.695 0 1 FJAF Cc1cc(C)c2[nH]ccc2c1CN1CCCC[C@@H]1c1ccc(C(N)=O)cc1 223221814 HVCYKNQNKTXZHC-OAQYLSRUSA-N 361.489 4.611 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc4c(cc3[nH]2)OCO4)c1 586880890 CPNXAEGWJVDCRJ-UHFFFAOYSA-N 370.408 4.806 0 1 FJAF COc1cc(OC)c2[nH]c([C@H](C)CC(=O)c3ccc(Cl)cc3)nc2c1 587070732 VZVVMGCPYOMGRX-LLVKDONJSA-N 358.825 4.610 0 1 FJAF FC(F)(F)c1cc(CCc2nc3cnccc3[nH]2)cc(C(F)(F)F)c1 587110633 DRJKOYVCMYUVAG-UHFFFAOYSA-N 359.273 4.781 0 1 FJAF FC(F)(F)Sc1ccc(/C=C/c2nc3nc(Cl)c[nH]c-3n2)cc1 587123530 DIXUFWZGFGBQJU-ZZXKWVIFSA-N 356.760 4.740 0 1 FJAF Cc1ccc2nc([C@H](NC(=O)c3ccccc3)c3ccccc3)[nH]c2c1C 587222091 XTSAMIMLOLRCGO-OAQYLSRUSA-N 355.441 4.699 0 1 FJAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)nc1 587339391 QDUIDOPGMMCJOP-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(Cl)cc3)n1C)O2 587380415 UNTATBGAWHMCCK-HXUWFJFHSA-N 366.848 4.943 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3cccc(F)c3)s1)O2 587385918 WDNOFEOJQLXYPQ-MRXNPFEDSA-N 354.406 4.546 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCN([C@H](C)c3ccccc3)[C@@H](C)C1)O2 587400020 NLGYNZKPOLYDMG-YGKZAACZSA-N 364.489 4.527 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(SCC(C)C)cc1)[C@@H](C2)C3=O 587453543 TXKSTXRHMSYMJG-LAUBAEHRSA-N 354.471 4.932 0 1 FJAF O=C1C[C@@]2(CCOc3cc(Cl)ccc32)Oc2c1ccc1c2CCCC1 587498039 CNZUGPJCYRJMRP-OAQYLSRUSA-N 354.833 4.862 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccc(F)cc2F)N1 587726190 VYEFXNUYJIZOIV-BJOHPYRUSA-N 370.212 4.684 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CC3)s2)N1 587852606 HPRNVOFTGRMRQW-ANRSDYALSA-N 367.287 4.546 0 1 FJAF C[C@]1(c2cc3c(ccc4ccccc43)o2)NCCc2c(C(=O)O)cccc21 963131854 OWBVSHFAISDVCD-QHCPKHFHSA-N 357.409 4.693 0 1 FJAF Nc1ccccc1NC(=O)c1ccc(CSc2ccc(F)cc2)cc1 1857608522 JCJWXMWEGZRFFO-UHFFFAOYSA-N 352.434 4.953 0 1 FJAF Nc1ccc2[nH]c3nccc(NCc4cccc(Br)c4)c3c2c1 1857759776 SBIIUARDJDQWEN-UHFFFAOYSA-N 367.250 4.673 0 1 FJAF O=C(NCCc1ccccn1)c1c(-c2ccsc2)sc2ccccc12 61948014 DTEISYJPAVHQHE-UHFFFAOYSA-N 364.495 4.997 0 3 FJAF CC(C)[C@@H](CN1CCCCC1)N(C)C(=O)Cc1ccc(Cl)c(Cl)c1 13446354 BMSLJPQGUMZLNE-GOSISDBHSA-N 371.352 4.505 0 1 FJAF CN(C)Cc1ccc(COC(=O)[C@H](c2ccccc2)C2CCCCC2)o1 13601984 OLMHJKHPDXNPNH-OAQYLSRUSA-N 355.478 4.749 0 1 FJAF COc1cc2c(c(C)c1Cl)Oc1cc(O)c(Cl)c(C)c1C(=O)O2 15122061 ADQHQQIXFSDQTR-UHFFFAOYSA-N 355.173 4.649 0 1 FJAF biogenic C[C@@H]1CC[C@H]2C(C)(C)CCC[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)COC3=O 95914461 OTYOIXMXORVTFK-UAOKWVNDSA-N 370.489 4.999 0 1 FJAF biogenic,in-vitro Brc1cccc(-c2nnc(CCc3c[nH]c4ccccc34)o2)c1 96917100 HEZAMJKVXGIGDE-UHFFFAOYSA-N 368.234 4.766 0 1 FJAF O=C(NC12CC3CC(CC(C3)C1)C2)c1nc2c(-c3ccccc3)cccc2[nH]1 103268364 NEUITGIOLHCFLG-UHFFFAOYSA-N 371.484 4.929 0 1 FJAF CC(C)C1CCN(CCCC(=O)c2ccc(Br)cc2)CC1 206067643 QHHVNOCICZEEMT-UHFFFAOYSA-N 352.316 4.780 0 1 FJAF CCOC(=O)c1ccc2nc(-c3ccc(CC)c(Br)c3)[nH]c2c1 586976111 CSIOPCCFMDCPTO-UHFFFAOYSA-N 373.250 4.732 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cncc(Br)c2[nH]1 587066790 RNSFZLFXTRCZCQ-SECBINFHSA-N 366.646 4.822 0 1 FJAF FC(F)(F)Oc1ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c2c1 587079787 HFKJPIUHKFLSSG-CQSZACIVSA-N 354.715 4.791 0 1 FJAF CCOC(=O)CNc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587226316 AALQKWSMNOVHMG-UHFFFAOYSA-N 364.232 4.512 0 1 FJAF O=C(c1cc2n(n1)C(C(F)(F)F)=CC(=C1CC1)N2)c1coc2ccccc12 587280984 MKVZAFQHHFMMIX-UHFFFAOYSA-N 371.318 4.737 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCc4c1[nH]c1c(C)cc(C)cc41)[C@@H](C2)C3=O 587438300 NDGNIXLQBCJGKJ-UUOWRZLLSA-N 373.452 4.773 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc4c(c1)CCC4)(C(C)(C)C)[C@@H](C2)C3=O 587440578 BXHKOLVBQDRGFF-CYFREDJKSA-N 362.469 4.873 0 1 FJAF CC1=C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587504232 GUDIDMXFCKEIKG-QFIPXVFZSA-N 350.389 4.861 0 1 FJAF O=C1C[C@@H](c2ccc(-c3cc[nH]n3)s2)Oc2c1ccc1c2CCCC1 587531909 NNGCDTTYEUXURU-KRWDZBQOSA-N 350.443 4.724 0 1 FJAF COC(=O)c1c(Cc2ccc(F)c(F)c2)[nH]c2cc(Cl)c(F)cc12 587628991 CLOHCHYGTWVSOH-UHFFFAOYSA-N 353.727 4.616 0 1 FJAF CC[C@]1(c2ccccc2F)N[C@@H](C)Cc2cc(Br)c(F)cc21 587727315 NTQPRPIXRUCJDF-BBATYDOGSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3cccnc23)N1 587779322 QWMDVROKPFVREO-NSPYISDASA-N 371.253 4.760 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CC(F)(F)F 587864029 BHLXHUVGIBFWHE-UHFFFAOYSA-N 366.261 4.560 0 1 FJAF CC/C(=C/c1nc2cc(OC)c(C(=O)OC)cc2[nH]1)c1ccc(C)cc1 587967084 KSPCHFFPWVJRLI-UVTDQMKNSA-N 350.418 4.617 0 1 FJAF COc1ccc2c(c1)[C@]1(CC(C)(C)Cc3[nH]c(C)cc31)N(C(C)C)CC2 962086872 DJDFGNSBNYPRPO-QHCPKHFHSA-N 352.522 4.814 0 1 FJAF Brc1ccc2cc(OCc3cn(C4CCCC4)nn3)ccc2c1 1772577637 OAZRFSYZRUZHNQ-UHFFFAOYSA-N 372.266 4.888 0 1 FJAF Cc1ncc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)[nH]1 1857561553 OASUKCFEBKAFRN-UHFFFAOYSA-N 374.286 4.540 0 1 FJAF CCCCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(OC)cc3)cc21 1857620804 JZLGAAAMRGSVKN-OAQYLSRUSA-N 354.450 4.549 0 1 FJAF O=C(Nc1ccccc1)[C@@H]1CCN(c2ccc(Cl)c(C(F)(F)F)c2)C1 1911580854 MAHNWXPHOIMAJA-GFCCVEGCSA-N 368.786 4.824 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]32CN1C 2356770267 FXXHLWMDAHXVCT-LHFAUVBSSA-N 356.598 4.810 0 1 FJAF Cc1ccccc1-c1cc2nc(Oc3cccc(F)c3)n(C)c(=O)c2s1 61926020 MGPXXRNKOVBUME-UHFFFAOYSA-N 366.417 4.902 0 3 FJAF O=C1OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2cc3ccccc3cc21 6584545 MWCLAKDSPXHOKZ-UHFFFAOYSA-N 368.388 4.713 0 1 FJAF C[C@@H](CCN1CC[C@@](C)(c2cccc(C(N)=O)c2)[C@@H](C)C1)CC(C)(C)C 13587979 VLMOWWYUNPBPIQ-IUKKYPGJSA-N 358.570 4.847 0 1 FJAF Cc1cc(C)c(NC(=O)c2sc(NC(=O)C(C)(C)C)nc2C)c(C)c1 14952055 JDOKXJGHJJJMNT-UHFFFAOYSA-N 359.495 4.614 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26394197 LKCRMGJZGXVDFH-JDOZCUFHSA-N 357.538 4.515 0 1 FJAF C[C@H]1CCCN(CC[C@@H](C)[C@@H](C)S(=O)(=O)c2cccc3ccccc23)C1 27641730 NSIUOUDAPUEWFM-IPMKNSEASA-N 373.562 4.760 0 1 FJAF CS[C@@H]1S[C@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 40393298 OGPGSYNCKSLJOF-NQZOLGFYSA-N 368.951 4.949 0 1 FJAF C[C@@]12CC(c3ccoc3)(c3ccoc3)[C@H](c3ccccc31)c1cccc[n+]12 100722094 GMJLUXSIPVIVRM-DHIUTWEWSA-N 354.429 4.759 0 1 FJAF O=C1C[C@H](c2c(-c3ccccc3)cc3ccccn23)C(=O)N1c1ccccc1 103228408 LMSDGUGITLZYRU-OAQYLSRUSA-N 366.420 4.653 0 1 FJAF CC[C@H](Cc1cc(C)cc(C)c1)NS(=O)(=O)c1c(C)cc(C)cc1C 103251349 MPLPTTLNPDVGGI-HXUWFJFHSA-N 359.535 4.528 0 1 FJAF Cc1c(-c2nc3c(C)cc(Br)cc3[nH]2)oc2c1[C@@H](O)CCC2 586904964 DZZJADBCKUAVJN-LBPRGKRZSA-N 361.239 4.572 0 1 FJAF Cc1cnc2[nH]c(COc3ccc4ccccc4c3Br)nc2c1 586999744 BGWGCQCFZGDFIN-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF FC(F)(F)Oc1cccc(CSCc2nc3cncc(Cl)c3[nH]2)c1 587124075 LHAKIOIAAZWNGO-UHFFFAOYSA-N 373.787 4.943 0 1 FJAF O=C(O)c1cc(F)cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c12 587153449 RKZHSOAZLSMELM-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF C[C@]1(Cc2cccs2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587374759 LFIDVZSTXAVPSF-TZIWHRDSSA-N 368.429 4.953 0 1 FJAF Cc1nccn1-c1ccccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587511763 IPHXJMGLYSUEBK-QFIPXVFZSA-N 358.441 4.766 0 1 FJAF C[C@]1(c2ccc(Cl)s2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587613489 PCVLBQIKWKKKBL-QFBILLFUSA-N 372.829 4.984 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(Cc2cccc(F)c2)N1 587733186 PXKHUQHBGJRIPG-ZMZPIMSZSA-N 366.249 4.719 0 1 FJAF CC(C)n1cccc1[C@H]1N[C@H](C)Cc2ccc(F)c(Br)c21 587757331 UUHJCQARNNGOON-PIGZYNQJSA-N 351.263 4.594 0 1 FJAF COc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809356 PVKQXLFFJMKHNZ-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF Cc1ccsc1[C@]1(C)N[C@@H](C)Cc2ccc(F)c(Br)c21 587846130 TZWYGJGNFZXOEN-MGPLVRAMSA-N 354.288 4.756 0 1 FJAF C[C@@H]1CC=CC[C@H]1c1nc2c(Br)cnc(Br)c2[nH]1 587967759 RRUAOEIXBSEJFU-HTQZYQBOSA-N 371.076 4.553 0 1 FJAF CCOc1ccc([C@@H]2NCCc3cnc4c(OC)cccc4c32)c(Cl)c1 963044826 DPCAINGSOVBYNJ-NRFANRHFSA-N 368.864 4.531 0 1 FJAF CCOC(=O)c1c(C=CCCCCO[C@@H]2CCCCO2)cccc1OC 1857622833 VKIKPGQXASGXBU-IBGZPJMESA-N 362.466 4.599 0 1 FJAF 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GVZQSPAADZTMEY-HNNXBMFYSA-N 354.711 4.798 0 1 FJAF O=C(N[C@@H]1CC12CCN(c1ccccc1)CC2)c1ccc(F)c2ccccc12 95573026 LNTTUVPYVFRFTF-JOCHJYFZSA-N 374.459 4.768 0 1 FJAF COc1cc2c(cc1[C@H](C)NC(=O)/C=C/c1ccccc1)C=CC(C)(C)O2 96932041 QTTFZKVHOYSYCT-OFAQMXQXSA-N 363.457 4.770 0 1 FJAF C[C@@H]1CCC[C@@H](C(=O)N2CC[C@@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 201106026 FPSDTUMOZJNGET-JAVNYVMFSA-N 355.522 4.659 0 1 FJAF CC(=O)[C@]1(OCCc2ccccc2)OC[C@@H]2C=C[C@@H]3C[C@H](C)CC[C@H]3[C@@]21C 238761931 WFMHAGOWQRBMPG-OWJFPWAGSA-N 368.517 4.806 0 1 FJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2ccnc(O)c2[nH]1 586981442 CSLPFFDMGGCHKQ-CYBMUJFWSA-N 374.282 4.798 0 1 FJAF Brc1ccc(-c2ccc(/C=C/c3nc4cncnc4[nH]3)o2)cc1 586998882 RKELYYGBFRHVCK-SOFGYWHQSA-N 367.206 4.546 0 1 FJAF COc1cc2nc([C@H]3CCCN3Cc3ccc(Cl)cc3)[nH]c2cc1C 587077147 QNEOGHOYOGUDMG-GOSISDBHSA-N 355.869 4.870 0 1 FJAF Cc1c(Br)cc2nc([C@](F)(Cl)C(F)(F)F)[nH]c2c1C 587090237 OEBSJWJEUNNWDA-SNVBAGLBSA-N 359.548 4.866 0 1 FJAF CCOC(=O)C[C@H]1CCc2c1nc1c(C)ccc3c1c2-c1ccccc1C3=O 587099250 XHHYKSQQRCVMER-CQSZACIVSA-N 371.436 4.738 0 1 FJAF N[C@H](c1nc2ccc(SC(F)(F)F)cc2[nH]1)c1ccc(F)cc1F 587151989 XNVMDAIGHZWLLJ-ZDUSSCGKSA-N 359.323 4.501 0 1 FJAF CC[C@H](Oc1ccccc1F)c1nc2cc(-n3cccn3)c(F)cc2[nH]1 587154975 HRQFAEDKCZLCGD-KRWDZBQOSA-N 354.360 4.557 0 1 FJAF O=C(CCc1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1cccc(F)c1 587161817 FWFYOMPYWBHGPJ-UHFFFAOYSA-N 352.196 4.580 0 1 FJAF C[C@@H](Oc1ccc(F)cc1)c1nc2ccc(F)c(Br)c2[nH]1 587169178 VEKHAPOKAUDTPM-MRVPVSSYSA-N 353.166 4.744 0 1 FJAF CC(C)[C@@H](c1nc2cccc(F)c2[nH]1)N(C)C(=O)OCc1ccccc1 587197775 NUKQLPJVVIRGPD-SFHVURJKSA-N 355.413 4.668 0 1 FJAF CCC[C@@H]1C[C@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361099 XKEYOKFICXHAFR-AGHHOFFYSA-N 370.420 4.608 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1nc(-c3ccccc3)cs1)O2 587414696 UYYKODIEPAUGBR-HXUWFJFHSA-N 350.443 4.581 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(Cl)cc1F)(C(C)C)[C@@H](C2)C3=O 587425227 AMIOREKEHBSNMU-MGPUTAFESA-N 360.812 4.787 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1nc(C)cs1)CC2=O 587495391 QSTKMAUCAUTVSQ-GOSISDBHSA-N 368.458 4.607 0 1 FJAF C[C@]1(c2ccccc2-n2ccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587516956 YHFRSOJYVGMEPW-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF C[C@]1(c2ccc(-n3cccn3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587518051 ZDNNBQSJZFEZEG-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF C[C@H](C[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1)c1ccccc1 587602037 IJBAFUUJWJDIBR-NQERJWCQSA-N 360.409 4.916 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(/C=C/c2ccco2)N1 587830434 TUQQOFBPZQYCPT-YFILSRKMSA-N 350.231 4.644 0 1 FJAF CC[C@@]1(c2cccs2)N[C@H](C)Cc2ccc(F)c(Br)c21 587847581 LOOGIWKAODGAHU-HWPZZCPQSA-N 354.288 4.838 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2c(F)c(F)c(F)c(F)c2[nH]1 587935150 QCGGGXHZSIVSOT-UHFFFAOYSA-N 362.326 4.700 0 1 FJAF N[C@H](N=O)c1ccc2nc([C@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955767 NPTHZWQVSNBVAL-WIYYLYMNSA-N 356.429 4.661 0 1 FJAF COc1ccc2c(c1)[C@@H](c1ccn(Cc3ccccc3)c1)N(C(C)C)CC2 962089459 JMIMHIMIQUDLCV-XMMPIXPASA-N 360.501 4.901 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@H]2c1cnn(-c2ccccc2Cl)c1 963089404 HCQDJRHHQHKDSS-UTKZUKDTSA-N 367.855 4.775 0 1 FJAF CCCCCC[C@@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772631622 ATJGIOLNOJVNKC-AWEZNQCLSA-N 368.355 4.779 0 1 FJAF CCCCCC[C@H]1OC(=O)c2cc(-n3nc(C(F)(F)F)cc3O)ccc21 1772631623 ATJGIOLNOJVNKC-CQSZACIVSA-N 368.355 4.779 0 1 FJAF CCC=CC[C@@H](O)C=CC=CC=C[C@H](O)CC=CCCCCCC(=O)O 2356506828 QJJOLZOJRISMDP-NHCUHLMSSA-N 362.510 4.715 0 1 FJAF CCC[C@](O)(CCN1CCCCCC1)c1ccc(Br)cc1 2922696 SVDDXZDOTJWEFW-SFHVURJKSA-N 354.332 4.703 0 1 FJAF COc1ccc2c(c1)[C@@H]1[C@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823945 GEVHBTFEMMAPPF-NFBKMPQASA-N 356.425 4.669 0 1 FJAF COc1ccc(C2=NN(c3ccccc3)C[N+](c3ccc(C)cc3)=N2)cc1 5850191 NZKKURXXMCOCPR-UHFFFAOYSA-N 357.437 4.939 0 1 FJAF COc1cc(OC(C)C)c2c(Nc3ccc(F)c(Cl)c3)ncnc2c1 28572579 HCOMHAHJQWPWMM-UHFFFAOYSA-N 361.804 4.962 0 1 FJAF Clc1cccc(Cl)c1CCO[C@H]1CCCC[C@@H]1N1CCSC1 34647944 HDTKTGATXZRRTG-IRXDYDNUSA-N 360.350 4.870 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Oc2cccnc2)ccn1 167373219 ZSHUPSXNHQRIED-UHFFFAOYSA-N 359.307 4.540 0 1 FJAF CCCc1cc(O)cc2c1Oc1cc(O)c(Cl)c(CCC)c1C(=O)O2 169309030 ZFPNAMICEQXOOZ-UHFFFAOYSA-N 362.809 4.981 0 1 FJAF CCCC[C@H](CC)[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 169316722 OIQPCFHRGUSHSO-MYFYKPQESA-N 364.526 4.916 0 1 FJAF O=C(c1ccc(Br)cc1)[C@H](c1ccccc1)c1ccccn1 169333165 NLMOIGOBLFUGEG-GOSISDBHSA-N 352.231 4.859 0 1 FJAF CC(C)=CCN1CC[C@]2(C)c3c(ccc(O)c3Br)C[C@@H]1[C@@H]2C 169340371 DOUQADGXCVUBSK-OHNRDTAOSA-N 364.327 4.645 0 1 FJAF COc1ccc(C(=O)O[C@@H]2[C@H](C(C)C)CC[C@]3(C)[C@H]4CC[C@](C)(O4)[C@@H]23)cc1 238760841 ZCHFUBAMQKGTFP-NKDBSHAFSA-N 372.505 4.860 0 1 FJAF CN(Cc1cccc(Cl)c1)C1CCN(Cc2cnc(Cl)s2)CC1 299866212 VIMQMYZRFKQUBS-UHFFFAOYSA-N 370.349 4.546 0 1 FJAF Cc1ccc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)cc1C(F)(F)F 587094593 DAEPLOZYSILCRR-UHFFFAOYSA-N 359.273 4.895 0 1 FJAF C[C@@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1C(F)(F)F 587097103 FBDJJRJXPTUISU-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF Cc1cc(C)c2[nH]c([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)nc2c1 587168487 XULNJENUSKMIQZ-QGZVFWFLSA-N 352.413 4.688 0 1 FJAF Brc1cnc2[nH]cc(-c3cc4c5c(cccc5n3)CC4)c2c1 587208158 MINUXKBCAHXSQD-UHFFFAOYSA-N 350.219 4.639 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cnn(C3CCCC3)c1)CC2=O 587477928 WDSFZQMCZCTDEH-NRFANRHFSA-N 354.450 4.537 0 1 FJAF O=C1C[C@@H](c2ccccc2Cn2cccn2)Oc2c1ccc1c2CCCC1 587517437 NBUNSYSPGJRPMC-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF Cc1cccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1F 587729564 VYKBDUBASXNPLA-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF CC[C@@]1(Cc2nc3cc(OC)c(Cl)cc3[nH]2)CC(=O)c2ccccc2C1 587959553 GVHHDYBGYKWKPY-NRFANRHFSA-N 368.864 4.993 0 1 FJAF CC/C(=C/c1nc2ccc(N3CCN(C)CC3)cc2[nH]1)c1ccc(C)cc1 587967982 QVOHVVOURLSENO-SDXDJHTJSA-N 360.505 4.574 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@](C)(c2nc3c(s2)CCCC3)N1 962939936 CIIJCVAVWYQPQP-YEJXKQKISA-N 351.519 4.691 0 1 FJAF CC1(C)CN2c3cc(Br)cc(c31)[C@@]21C=COc2ccccc21 963072723 UPUVWPFLSVKGNH-IBGZPJMESA-N 354.247 4.710 0 1 FJAF O=C(c1ccc(-c2ccc(O)c(F)c2)s1)c1cc(F)c(F)c(O)c1F 1857773223 RHSYGXKEQBUHAC-UHFFFAOYSA-N 368.307 4.614 0 1 FJAF CC(=O)O[C@@H](C[C@]1(C)[C@@H](C)CC[C@]23COC(=O)C2=CCC[C@H]31)c1ccoc1 5808745 DZAYTXGDCMMRGZ-MGRWKJIOSA-N 372.461 4.590 0 1 FJAF CCN(CC)CCOC(=O)C(CC(C)C)(c1ccccc1)c1ccccc1 26658682 UBAKENDNJJBKLH-UHFFFAOYSA-N 367.533 4.904 0 1 FJAF CN(C)[C@H]1CCC[C@H]1N(C(=O)c1ccco1)c1ccc(Cl)c(Cl)c1 28237124 LQQGYJZSCKRXFJ-JKSUJKDBSA-N 367.276 4.716 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 34315796 QOBHVCSONWIIQM-UYDUATFGSA-N 371.565 4.857 0 1 FJAF CCC[C@H](CC)OC(=O)c1cc(CO)cc(C(=O)O[C@H](CC)CCC)c1 40972379 ONMFJTSDBZIFTK-KDURUIRLSA-N 364.482 4.650 0 1 FJAF in-vivo CO[C@@H]1Cc2ccccc2C2(CCC(N(C)Cc3ccccc3)CC2)O1 71332449 AFKWCRVKGFPGQY-APKLWFBNSA-N 351.490 4.502 0 1 FJAF Fc1cccc(Cl)c1[C@@H]1C[C@H](c2ccccc2Cl)Nc2ncnn21 72112200 LWLDLZPALRVJPC-CABCVRRESA-N 363.223 4.870 0 1 FJAF Cc1nc(-c2cnc(N(C)CC(C)C)nc2-c2ccc(F)cc2)oc1C 82219681 VTGWAIXCHUIFRP-UHFFFAOYSA-N 354.429 4.647 0 1 FJAF N=C1Sc2cc(-c3ccc(C(F)(F)F)cc3)ccc2C2=NCCCN12 95575518 ULOUANZURIYFHR-UHFFFAOYSA-N 361.392 4.865 0 1 FJAF CCCOc1ccc(C(=O)Nc2cccc(NCc3ccccc3)n2)cc1 96273382 WGBNOTBPEPQFLQ-UHFFFAOYSA-N 361.445 4.735 0 1 FJAF C[C@H]1CCO[C@H](c2nc3c(Br)ccc(Br)c3[nH]2)C1 586917191 NTMNTTGVHSCLAK-XVKPBYJWSA-N 374.076 4.576 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4cc(C)c(C)cc4[nH]3)n2C)cc1 586965556 LPOUZAGBAFHGHE-UHFFFAOYSA-N 363.490 4.576 0 1 FJAF CCc1ccc(-c2nc3c(C)cnc(Cl)c3[nH]2)cc1Br 586977765 ROJMVEHGBFLQFN-UHFFFAOYSA-N 350.647 4.912 0 1 FJAF COc1cncc2nc(-c3sc(-c4ccc(Cl)cc4)nc3C)[nH]c12 587014156 HPHOFOCXDFULOO-UHFFFAOYSA-N 356.838 4.719 0 1 FJAF Clc1cccc(COc2ccc(/C=C/c3nc4cncnc4[nH]3)cc2)c1 587071448 NFIJQCJXMKYJFJ-RMKNXTFCSA-N 362.820 4.756 0 1 FJAF OC1(c2nc3cc(Cl)cc(Cl)c3[nH]2)CCC(C(F)(F)F)CC1 587125898 HJCBBCPODQSKRI-UHFFFAOYSA-N 353.171 4.810 0 1 FJAF C=CC(=O)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 587245102 XIAQQDDRNMAOHZ-UHFFFAOYSA-N 367.408 4.585 0 1 FJAF CC(C)(C)C(=O)Nc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cn1 587247548 OIZVRDYRXBJCRW-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ncc(Cl)cc1Cl)CC2=O 587461628 LHSRKJWDJHGDFP-GOSISDBHSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C(/C)N(C)C)(c1ccsc1)CC2=O 587493378 FLMSSWYRSUKFBQ-YXAHYSCSSA-N 371.502 4.732 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2c[nH]c3ccccc23)N1 587803429 PWGVEKHBTKKUOY-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccco2)N1 587828634 OPDVAVZOCOIOOD-DIFFPNOSSA-N 352.247 4.563 0 1 FJAF COc1ccc2c(c1)[C@@](CC(=O)c1ccccc1)(C(F)F)N(C(C)C)CC2 962085753 AKUWSKWKSYKOPE-QFIPXVFZSA-N 373.443 4.695 0 1 FJAF CSCC1CCC2(CC1)c1cccc(F)c1CCN2[C@@H]1CCSC1 962695871 GEVUSKNPOIJXQD-LFDOHDQPSA-N 365.583 4.938 0 1 FJAF COc1cccc(-n2cccc2[C@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963096103 COOJDIDRHPWVHA-FDDCHVKYSA-N 362.448 4.735 0 1 FJAF C[C@H](CN)N(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772607272 HLIZJSFTHRNRAI-SNVBAGLBSA-N 357.668 4.641 0 1 FJAF O=C(Nc1ccccc1Cl)c1ccc(OC(F)F)c(OCC2CC2)c1 1772639812 FXJNCIZGQFVQLF-UHFFFAOYSA-N 367.779 4.983 0 1 FJAF NCc1cccc(-c2cccc(C(=O)N[C@H]3CCCc4ccccc43)c2)c1 1857748666 ONRUCWPTBOHFGA-QHCPKHFHSA-N 356.469 4.620 0 1 FJAF COC(=O)C1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@H]1CC[C@H](C)CCOC=O 2356786279 ZQMIRTGWVGONOM-OSGXGRJZSA-N 364.526 4.918 0 1 FJAF CSCC[C@H](C(=O)Nc1c(C)cccc1C)N(C)CCc1ccccc1 95567769 BHRNKEOETFZZTI-HXUWFJFHSA-N 370.562 4.538 0 3 FJAF CSc1ccc(-c2nc3c(Sc4ccccc4)ncnc3n2C)cc1 13608638 LGJYAVHABWKSBX-UHFFFAOYSA-N 364.499 4.903 0 1 FJAF COC(=O)CC1CCC(=C(c2ccc(O)cc2)c2ccc(O)cc2)CC1 13685677 ANBKAPQYIYCLKX-UHFFFAOYSA-N 352.430 4.653 0 1 FJAF in-vitro COc1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1-c1cnco1 13818708 NNPQRVKLYRVOIL-VMPITWQZSA-N 354.793 4.656 0 1 FJAF CC1(c2nnc3ccc(-c4ocnc4-c4cc(F)ccc4F)cn23)CCC1 14961343 GJTSFEDWYSEVOG-UHFFFAOYSA-N 366.371 4.771 0 1 FJAF COc1ccc(-c2ccccc2-c2ccc(S(C)(=O)=O)cc2)cc1F 29545390 ODBSRLCISKGYTE-UHFFFAOYSA-N 356.418 4.572 0 1 FJAF Cc1cccnc1-c1ccc2c(O)n(-c3ccc(C(F)(F)F)cc3)nc2n1 34554460 YLLIASJTWCOGNA-UHFFFAOYSA-N 370.334 4.515 0 1 FJAF CC[C@](O)(Cc1cc2ccncc2[nH]1)CC(C)(C)c1cc(F)ccc1OC 38267462 PSVUKSBGYCPEPY-QFIPXVFZSA-N 370.468 4.762 0 1 FJAF Cc1nc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccccc2)oc1C 82162977 OJVGVNCKQJNVAR-GJZGRUSLSA-N 362.477 4.898 0 1 FJAF CC1=C(c2ccccc2F)C(=O)N(C(C)(C)c2nc3ccccc3s2)C1 103180976 VNBXEWFGEBGXQY-UHFFFAOYSA-N 366.461 4.986 0 1 FJAF CCCCSc1nc([C@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352204 UUSLRYSHPDLAQB-SNVBAGLBSA-N 354.878 4.915 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370028 RPIWNKCKNAVMOS-JXOVLVCBSA-N 359.554 4.739 0 1 FJAF OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OCCCO3 586894482 HXVXJWWCYUPXEI-UHFFFAOYSA-N 360.498 4.770 0 1 FJAF OCc1ccc(-c2nc3c(C(F)(F)F)cc(Br)cc3[nH]2)cc1 586895758 XFCFFXCISGIODI-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF COC(=O)[C@@H](c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O)C(C)C 587097924 PHFLJVUQOXKEPL-GOSISDBHSA-N 373.452 4.976 0 1 FJAF Cc1ccc2c3c(c(CCc4ccccn4)cnc13)-c1ccccc1C2=O 587098338 TZOPPZIQBZKAAT-UHFFFAOYSA-N 350.421 4.935 0 1 FJAF COC(=O)CCc1cc(-c2cccc(OC)c2)c2oc3ccccc3c2n1 587363786 VDVOYKSRTXVOHP-UHFFFAOYSA-N 361.397 4.762 0 1 FJAF COc1cccc(-c2c(C)c(-c3ncnn3C)nc3c2oc2ccccc23)c1 587364339 UFHHEBLYOYQKLS-UHFFFAOYSA-N 370.412 4.761 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cc(Cl)ccc1Cl)O2 587374285 HWUJDPWVCGQMKN-SFHVURJKSA-N 350.245 4.851 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@@H](c1ccccc1)c1ccc(F)cc1)O2 587386268 XENJQDCCDHLDSU-YADHBBJMSA-N 361.416 4.882 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(c1cc(F)c(Cl)cc1Cl)[C@@H](C2)C3=O 587424648 QYEJXVCSARLMPB-VOJFVSQTSA-N 367.203 4.804 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccccc4F)c1)[C@@H](C2)C3=O 587425573 FDQDTAJADJMKJD-FDDCHVKYSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1ccc(C)c(C)c1)[C@@H](C2)C3=O 587432277 VQGJXGIHEYXTHL-MBSDFSHPSA-N 359.425 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1sc(C)nc1-c1ccccc1)[C@@H](C2)C3=O 587453203 VYLDBUQWABGLIP-MGPUTAFESA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(C(=O)c1cccc(Cl)c1)CC2=O 587463268 UVVQUCCTSWKAFK-FQEVSTJZSA-N 358.821 4.605 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OCC)c(F)c1)CC2=O 587467470 SJTGGYPRGIIIAH-NRFANRHFSA-N 358.409 4.763 0 1 FJAF O=C1C[C@@H](c2cnc([C@H]3CCCO3)s2)Oc2c1ccc1c2CCCC1 587534463 BZHIHEWFYMMJBJ-SJORKVTESA-N 355.459 4.580 0 1 FJAF CC1=C(C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)CC1 587601695 FSANCPPKQQCIBY-QOEFQVSFSA-N 350.414 4.859 0 1 FJAF Cc1cc(Br)ccc1-c1[nH]c2cccc(F)c2c1CC(=O)O 587632223 GXNMBYOCZADTDK-UHFFFAOYSA-N 362.198 4.672 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccn2C(C)(C)C)N1 587758393 XHBJYWCJCUHYRM-GTNSWQLSSA-N 365.290 4.768 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc([C@@H]3C[C@H]3C)o2)N1 587831091 WAZAKTZHOBAKKX-LXOGHLLHSA-N 364.258 4.928 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2csc(C3CC3)n2)N1 587850966 GYGOSVHHMNIKMY-ANRSDYALSA-N 367.287 4.546 0 1 FJAF CCOC(=O)Cc1ccc2nc(C=C3C4CC5CC(C4)CC3C5)[nH]c2c1 587968913 WIOOGAHVVJFWAX-UHFFFAOYSA-N 350.462 4.508 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@]2(N1)c1ccccc1-c1cccc(N)c12 962950659 HOIDANZWLUCETM-ODCWNRFASA-N 365.480 4.947 0 1 FJAF COc1nn2cc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2s1 1772576120 LWECZQCDYAOYFN-UHFFFAOYSA-N 367.274 4.504 0 1 FJAF Brc1ccc2[nH]c(Cn3cncc3-c3ccccc3)cc2c1 1857759193 XDXNMOGAXGHSEP-UHFFFAOYSA-N 352.235 4.842 0 1 FJAF COc1ccccc1-c1ccc2c(c1)[C@@](C)(Cc1cccc(F)c1)C(=O)N2 61905912 GWSICYKHJWQCCX-HSZRJFAPSA-N 361.416 4.954 0 3 FJAF Brc1cccc(Nc2ncnc3c2sc2ncsc23)c1 3815234 RLAGSKIPOCVMQK-UHFFFAOYSA-N 363.265 4.807 0 1 FJAF O=C(O)C[C@H](O)CSCCCCCCc1ccc(Cl)cc1Cl 13758153 JTYJUUIPTANEFW-AWEZNQCLSA-N 365.322 4.665 0 1 FJAF Cc1ccc(CC[C@H](C)NC[C@@H](O)c2cccc(C(F)(F)F)c2)cc1 45229781 UHGNRMGDNMUILJ-HNAYVOBHSA-N 351.412 4.658 0 1 FJAF C[C@H](NC(=O)c1ccc(-c2cn[nH]c2)c(C(F)F)c1)c1ccccc1F 223845848 QJSCJJBTPAPBQB-NSHDSACASA-N 359.351 4.644 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4c(F)c(F)c(Cl)cc4[nH]3)oc12 586903093 FWKLVWMQBCCZQF-UHFFFAOYSA-N 362.719 4.729 0 1 FJAF FC(F)(F)c1cc2nc([C@@H]3COc4ccccc4O3)[nH]c2cc1Cl 586917836 GZXVSESZLZHOJG-AWEZNQCLSA-N 354.715 4.748 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3ccc(OC(F)(F)F)cc3[nH]2)cs1 587020646 DNJBONHVKXBRGH-UHFFFAOYSA-N 364.352 4.889 0 1 FJAF Clc1cccc(Cl)c1[C@H]1C[C@@H]1c1nc2cc3c(cc2[nH]1)OCCO3 587052131 WRCQMSRXAWQJDS-UWVGGRQHSA-N 361.228 4.912 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587242573 WLFQUVIILGRHSH-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccnc1Cl)CC2=O 587463038 VEPBBXCSXVZKJH-CQSZACIVSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1CN1CCCC1)CC2=O 587474342 GWIANHKAFXREEK-JOCHJYFZSA-N 365.473 4.647 0 1 FJAF Cc1ccccc1N1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587512941 GWEUOAUSTPBUIT-UHFFFAOYSA-N 361.485 4.878 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H]1C[C@H]1c1ccccc1 587602828 LJRJJXDXGJCKCF-DOAHWQAKSA-N 358.393 4.526 0 1 FJAF CCCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617390 OZYAUATZPOSHGG-NQIIRXRSSA-N 350.370 4.641 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(OC)cc3)c(Cn3cncn3)c2c1 587642036 IWRLNAGEBRMJNG-OAHLLOKOSA-N 360.461 4.997 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3F)c2c1 587642706 PKXIIRITIUEOTC-LBPRGKRZSA-N 353.393 4.838 0 1 FJAF Cc1ccc(F)c([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587714886 GHSMVIKCMQEMDG-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF CCCOc1cccc(Cc2nc3ccc(F)c(Br)c3[nH]2)c1 587777865 DIKAOHGYHWYOCQ-UHFFFAOYSA-N 363.230 4.844 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCc3ccccc3CC2)N1 587819015 UEFSXLJTOKHRJF-ZDUSSCGKSA-N 374.297 4.897 0 1 FJAF C1=C(c2cccc(CNCCOc3cccc4c3OC3(CC3)C4)c2)CCC1 3949018 VTZTXBSFXXIRQU-UHFFFAOYSA-N 361.485 4.890 0 1 FJAF O=C1[C@@H]2c3[nH]c4ccccc4c3[C@@H]3CCCC[C@@H]3[C@@H]2C(=O)N1c1ccccc1 5882669 YQDIZAHKTNEAGG-ALGWMNEGSA-N 370.452 4.729 0 1 FJAF Fc1ccc(CSc2nnc(Nc3ccc(Cl)cc3)[nH]2)cc1F 14964160 YJFCWNYTKZVLEA-UHFFFAOYSA-N 352.797 4.772 0 1 FJAF COc1cccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1 14975365 GUKDQMJDSRANAC-UHFFFAOYSA-N 374.400 4.730 0 1 FJAF CCCN[S@](=O)(=NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1 25980505 JYUMEPOCQUHNMJ-DEOSSOPVSA-N 365.886 4.622 0 1 FJAF O=C(O)CCC/C=C\C[C@@H]1[C@@H]2CC[C@@H](O2)[C@@H]1COCC1CCCCC1 26388398 MCXWYACNYOTKNC-FXHPDEQQSA-N 350.499 4.578 0 1 FJAF C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC=C2c1cnccn1 58665999 QVTBBCPMVZFZTF-SFJJLGKISA-N 350.506 4.794 0 1 FJAF COc1cccc(-c2nc3ccc(OC)cc3nc2-c2cccc(OC)c2)c1 71280628 DRESHWJNEXLTCP-UHFFFAOYSA-N 372.424 4.990 0 1 FJAF O=C1COc2ccc(-c3nn(-c4ccccc4)cc3-c3ccccc3)cc2N1 72114489 UHJWMZGOJUKYBL-UHFFFAOYSA-N 367.408 4.537 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@H](C)C3)nc2-c2ccc(F)cc2)o1 82164567 SIEFWBGJJGPNIC-KBPBESRZSA-N 366.440 4.728 0 1 FJAF CCCc1ccc(-c2csc(N3CCC[C@H]3C(=O)NCC(C)C)n2)cc1 82195877 HRWJSKKYSFZZPV-IBGZPJMESA-N 371.550 4.504 0 1 FJAF O=C(Nc1cc2nc(C3CCCCC3)[nH]c2cc1N1CCCC1)C1CC1 96928353 LFHASYXCOWGFRI-UHFFFAOYSA-N 352.482 4.559 0 1 FJAF COc1ccc([C@H]2[C@@H](c3ccc(C)cc3)C[C@H]3CC[C@H]2N3C)cc1OC 101065851 UBUINJQFQXKDNL-URFJDIBFSA-N 351.490 4.746 0 1 FJAF CCN1C2CCC1([C@H](NC(=O)c1c(C)cccc1C)c1ccccc1)CC2 141907733 IVALQCXBILWALL-DJSMFCCRSA-N 362.517 4.791 0 1 FJAF O=C(C[C@H](NC(=O)C1CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 149905624 MBZAXKNMUWTLID-KRWDZBQOSA-N 362.256 4.834 0 1 FJAF Cc1ccc(Oc2cc([C@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)cc1 169338128 DDWHUXUCJDQHDD-HTAPYJJXSA-N 362.473 4.901 0 1 FJAF N=C(N)c1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094629 FSIZPICRIDHIKA-UHFFFAOYSA-N 372.272 4.552 0 1 FJAF Fc1c(Br)ccc2[nH]c(-c3ccc(OC(F)F)cc3)nc12 587130765 PYRWHKKFKLRCGW-UHFFFAOYSA-N 357.129 4.733 0 1 FJAF O=C(CCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1)c1ccc(F)cc1 587162077 HEIGKWXZYWDXAJ-UHFFFAOYSA-N 354.278 4.675 0 1 FJAF CSc1ncc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(C)n1 587208979 IGXWOGCQKZCYGI-UHFFFAOYSA-N 369.449 4.934 0 1 FJAF CC(C)(C)OC(=O)Nc1cc(O)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 587241969 MILZJKKRKAPXIX-UHFFFAOYSA-N 361.348 4.561 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Br)cc1Cl)O2 587376716 JYUTYZQTSYZHFP-HNNXBMFYSA-N 366.642 4.700 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(C)c1C)[C@@H](C2)C3=O 587430327 GRLIEWYKJBOXAY-SBUREZEXSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c[nH]c3nccc(Cl)c13)CC2=O 587461407 MQXOHJLIPMIXAX-HXUWFJFHSA-N 370.836 4.755 0 1 FJAF C[C@]1(c2ccc(-n3ccnc3)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587517018 ZEYFMWJVDRYQER-HSZRJFAPSA-N 358.441 4.632 0 1 FJAF CC1=C[C@H](C)C[C@H]([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)C1 587604620 XKVWKQCSZLIULU-JUQMFEBYSA-N 350.414 4.715 0 1 FJAF Cc1c(-c2ccc(O)c(F)c2)[nH]c2c1c(Br)cc1n[nH]cc12 587622298 IPEDOJMPWOAIIW-UHFFFAOYSA-N 360.186 4.627 0 1 FJAF Cc1cccc2c1[C@]1(CC2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587818065 PHHZBMWFIHCZNC-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF CC1=C(C)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@@H](C)[C@H]1C 587822124 ISWNYMGSJQJHJT-KICPOFLPSA-N 352.291 4.940 0 1 FJAF CCc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587849649 UXBNZIOUZVHEKV-XXFAHNHDSA-N 354.288 4.836 0 1 FJAF CC(=O)Nc1cccc(Oc2nc(Nc3ccccc3)ncc2Cl)c1 621431423 FTMAIQLOEXVTAO-UHFFFAOYSA-N 354.797 4.624 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)OCCO3)n1 653758394 SFKKWWARWUUAAY-LJQANCHMSA-N 373.456 4.713 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)CCO3)n1 653767492 IWNKZFHDKXWNTK-HXUWFJFHSA-N 357.457 4.876 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1NCCc2c(Cl)cc(Cl)cc21 963113257 QJBXGNCTBUMTTD-CVEARBPZSA-N 371.308 4.580 0 1 FJAF CN1CCC(c2cccc(-c3coc4ccc(-c5cnn(C)c5)nc34)c2)CC1 2382221375 BWUOLNXJAQPJKF-UHFFFAOYSA-N 372.472 4.705 0 1 FJAF CCC(=O)[C@H]1[C@@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 13862679 AEOXYMZMDLKZPQ-VDEVERMRSA-N 365.517 4.956 0 1 FJAF COc1cc(-c2cccc(-c3ccc(C(=O)O)cc3)c2)cc(OC)c1OC 28466751 LUEKSFYIFDMJTJ-UHFFFAOYSA-N 364.397 4.745 0 1 FJAF CCCNC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063269 GNJKAQYVUIQJTI-UHFFFAOYSA-N 369.468 4.891 0 1 FJAF CN1CCC[C@H]1CCn1ccc2ccc(NC(=N)c3cccs3)cc21 34805617 ZPYXFXHKINDFBM-KRWDZBQOSA-N 352.507 4.625 0 1 FJAF CCCCC(=O)Oc1cccc2c1-c1cc(OC)cc3c1[C@@H](C2)N(C)CC3 40411281 NMUGDOOOAXACRK-LJQANCHMSA-N 365.473 4.543 0 1 FJAF in-vivo Cc1ccc(CNC[C@H]2CCC[C@H](CNCc3ccc(C)cc3)C2)cc1 45358493 JXAIYQIJHNJUEB-ZEQRLZLVSA-N 350.550 4.989 0 1 FJAF Cc1ccc(/C(=C2\C(=O)Nc3ccccc32)c2nc3ccccc3[nH]2)cc1 84732807 AZNGFFNFDFXUHN-QZQOTICOSA-N 351.409 4.783 0 1 FJAF O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Oc2cccnc2)ccn1 167525112 MLKVYONOVQIBCW-UHFFFAOYSA-N 360.200 4.828 0 1 FJAF Fc1ccccc1[C@@H](Nc1ccccc1)c1nc2c(Cl)ccnc2[nH]1 587148340 BLYPEXZFNNFWCO-MRXNPFEDSA-N 352.800 4.952 0 1 FJAF O=C(/C=C/c1nc2cccc(OCc3ccccc3)c2[nH]1)Nc1ccccc1 587244969 TZWSGAOSPMXXTK-CCEZHUSRSA-N 369.424 4.794 0 1 FJAF COC(=O)[C@H]1Cc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c2C1 587363384 SHUQMNDDPUCZJM-CQSZACIVSA-N 373.408 4.544 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCc1ccc(C(F)(F)F)cc1)O2 587382307 OTBDHLDKCDUMDX-IBGZPJMESA-N 363.379 4.953 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCc4c1ccc(Cl)c4Cl)[C@@H](C2)C3=O 587421424 MGCZMBUVQIBELZ-ORAYPTAESA-N 361.224 4.591 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1cccs1)(c1ccccc1C)[C@@H](C2)C3=O 587452714 TWDOYUOWSJAHGB-JTSKRJEESA-N 362.450 4.756 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(Cl)ccc1F 587556065 IRQJPWUDJUWGMM-FXAWDEMLSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1csc(Cl)c1 587615572 YPEGTRMSRWJRAO-CRAIPNDOSA-N 358.802 4.810 0 1 FJAF Cc1[nH]c2c(C)cc(Cl)cc2c1CCCN1C(=O)c2ccccc2C1=O 587627139 OXEQNOASBCHTCB-UHFFFAOYSA-N 366.848 4.667 0 1 FJAF CC(C)n1cccc1[C@@H]1N[C@@H](C)Cc2cc(Br)c(F)cc21 587758827 YJMYZLVNVGJKAJ-APPDUMDISA-N 351.263 4.594 0 1 FJAF Cc1cc(Br)c2[nH]c(COC/C=C\c3ccccc3)nc2c1 587781117 PRIMFWDQJGZCGE-YVMONPNESA-N 357.251 4.864 0 1 FJAF O=C1[C@H]2C[C@H]3C[C@@H]1C[C@@](c1nc4ccc(SC(F)(F)F)cc4[nH]1)(C3)C2 587968810 GBQFGNATXGSDMV-FYBJUZMNSA-N 366.408 4.822 0 1 FJAF Cc1cc(F)cc([C@@]2(C)NC3(CC3)Cc3ccc(Br)cc32)c1 961617845 XBUFITBYYZLAHB-GOSISDBHSA-N 360.270 4.838 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cccc(OCC(C)C)c1 963056748 MLEDIVKJIYCRIM-QFIPXVFZSA-N 362.473 4.513 0 1 FJAF O=C(c1ccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)cc1)C(F)(F)F 963117726 XPWJJLHKZGZTDI-CRAIPNDOSA-N 363.354 4.681 0 1 FJAF CC=Cc1cc(OC)c2c(c1)[C@H](C)[C@@H](c1cc(O)c(OC)c(OC)c1)O2 2356648951 VDEMDVPOVCCUKO-BUXKBTBVSA-N 356.418 4.688 0 1 FJAF CC(=CCC[C@@H](C)CC(=O)O)CCC=C(C)CCCC1=CC(=O)O[C@H]1O 2356788619 CEYSETCIQFXBGF-DYESRHJHSA-N 364.482 4.522 0 1 FJAF O=C(CCC1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)CCCN2 13737850 UUQBDBYKPIHDLS-UHFFFAOYSA-N 362.517 4.920 0 1 FJAF COc1cc(O)cc([C@H]2CCc3c(OC)cc(O)c(CC=C(C)C)c3O2)c1 14762577 OKXSQEFLSCOCRF-HXUWFJFHSA-N 370.445 4.690 0 1 FJAF biogenic CCCCN(CCCC)c1cc2c(cc1F)c(=O)c(C(=O)O)cn2C1CC1 34283028 SSXVSGVSJBPOQG-UHFFFAOYSA-N 374.456 4.580 0 1 FJAF Cc1ccc([C@H](Oc2cccc(Cl)c2Cl)C2CCNCC2)cn1 43077088 JAKBXJLCBFHUQX-GOSISDBHSA-N 351.277 4.817 0 1 FJAF C[C@@H]1CN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 59940976 NDIIKLHONTYYRL-MMACOIQUSA-N 358.888 4.692 0 1 FJAF Cn1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)c2ccccc21 95585324 OSFCDVUXRSCVDQ-QFIPXVFZSA-N 353.425 4.949 0 1 FJAF Clc1ccc(C23CCN(CC2)Cc2cc(-c4cnccn4)ccc23)cc1 114350385 UUEYKVGDKFNPHW-UHFFFAOYSA-N 361.876 4.693 0 1 FJAF CC[C@H]1C(=O)N(C2CCN([C@@H]3CCc4ccccc4C3)CC2)c2ccccc21 117334549 PEUSKIKGDTWFQX-FGZHOGPDSA-N 374.528 4.549 0 1 FJAF CCC(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21 220259631 DTOSFEYVYLXLBV-KRWDZBQOSA-N 366.358 4.810 0 1 FJAF COc1ccc(-c2cc(C)c(OC)c(C(=O)N[C@H]3CC[C@@H](C)CC3)c2)cc1 299856130 CDHDCBDWARTIEL-GLRZTSSQSA-N 367.489 4.988 0 1 FJAF Cn1cc([C@H]2c3c(nc4cccc5c4c3-c3ccccc3C5=O)C2(C)C)cn1 587105333 YRIWQHDFWFPXKU-NRFANRHFSA-N 365.436 4.603 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc3ccccc3n1CCC)CC2=O 587479568 ZZZCKNKQMYTBLO-FQEVSTJZSA-N 364.445 4.811 0 1 FJAF Cn1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)n1 587516083 QQFJXDMKYSGEQL-NRFANRHFSA-N 358.441 4.672 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cccc(F)c2)N1 587734219 UIWQXMRVGICOLE-QGHHPUGFSA-N 352.222 4.525 0 1 FJAF CC[C@@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814607 UWVRNKLCVHOCMV-YJYMSZOUSA-N 362.286 4.970 0 1 FJAF Cc1cccc2c1CC[C@@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587818104 PVYOGCMEWMRBTI-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cc(OC(F)(F)F)ccc1F 963114681 WDYYWTRCQHQCPO-ACJLOTCBSA-N 369.333 4.973 0 1 FJAF COc1ccccc1[C@@]1(Cc2ccccc2)NCCc2cccc(Cl)c21 963390841 NMCKQDXHEJUCMA-HSZRJFAPSA-N 363.888 4.981 0 1 FJAF O=C(NC12CC3CC(CC(C3)C1)C2)N1CCC2(C=Cc3ccccc32)CC1 13728393 HHQHMEZJZPOYBH-UHFFFAOYSA-N 362.517 4.725 0 1 FJAF C1CN(C2C3CC4CC(C3)CC2C4)CCN(C2C3CC4CC(C3)CC2C4)C1 22782485 USLMSRRGTCBRDN-UHFFFAOYSA-N 368.609 4.644 0 1 FJAF Cc1ccc(Sc2ccc(C)cc2NCCCN2CCN(C)CC2)cc1 22938735 NISHKWFOONJAEK-UHFFFAOYSA-N 369.578 4.504 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(Oc1ccc(Br)cc1)(c1ccccc1)C2 28875976 XHYHVAYZMMJUNP-UFRUDQCGSA-N 372.306 4.980 0 1 FJAF Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(Cl)c3)no2)s1 35310324 ABWONHBWGCZVOP-CQSZACIVSA-N 373.865 4.737 0 1 FJAF CCCCCOC(=O)c1ccc2[nH]c3c(c2c1)CC(=O)Nc1ccccc1-3 45316452 OAIWHGHQSJKEFY-UHFFFAOYSA-N 362.429 4.677 0 1 FJAF CCOc1ccc(-c2nc(CN[C@@H]3C[C@H]4C[C@@H]([C@@H]3C)C4(C)C)co2)cc1 72101348 UYYNNPPQRIBMQK-SOHDHNSJSA-N 354.494 4.901 0 1 FJAF Cc1nc(N[C@H](C)c2cccc(N)c2)cc(-c2ccc3ncsc3c2)n1 142038035 AQJJKPKWPGUXCB-GFCCVEGCSA-N 361.474 4.817 0 1 FJAF CCCc1cc(=O)oc2c(C(=O)CC)c(N(C)C)c3c(c12)OC(C)(C)C=C3 169336457 MLENNIHNLDGEQH-UHFFFAOYSA-N 369.461 4.588 0 1 FJAF CC(C)CCCc1c(O)ccc(C(=O)c2cc(Cl)c(Cl)[nH]2)c1O 238770785 SVZSIQHNDAETKX-UHFFFAOYSA-N 356.249 4.942 0 1 FJAF Cc1ccc(C)c2[nH]c(Cn3c(-c4cscn4)nc4ccccc43)nc12 587029669 RTIRPDQBIDOZLM-UHFFFAOYSA-N 359.458 4.701 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2ccnc(Br)c2[nH]1 587066094 HWWMDFXPIPCQNL-SECBINFHSA-N 366.646 4.822 0 1 FJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(CO)cc4[nH]3)c2)cc1 587067667 JUPZYVUTUNGMAV-UHFFFAOYSA-N 364.832 4.535 0 1 FJAF Cc1ccc2c3c(c4c(nc13)-c1ncsc1CC4)-c1ccccc1C2=O 587102110 QKKQLXXJKIHYBL-UHFFFAOYSA-N 354.434 4.977 0 1 FJAF CC(=O)c1ccc2nc([C@@H](NC(=O)OC(C)(C)C)C3CCCC3)[nH]c2c1 587224910 IGQZJPHMCPZVES-KRWDZBQOSA-N 357.454 4.522 0 1 FJAF Cc1ccc(CCc2nc3cc(Br)c(C)c(C)c3[nH]2)cc1N 587250814 QAGPOQKTDADRBU-UHFFFAOYSA-N 358.283 4.618 0 1 FJAF Nc1cccc(O)c1-c1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587250838 SMHQJSBXZHPSHH-UHFFFAOYSA-N 361.245 4.555 0 1 FJAF O=C(c1coc2ccc(Cl)cc12)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587278408 MBAQPIPBCRUGGG-NSHDSACASA-N 374.223 4.975 0 1 FJAF O=C1C[C@@H](c2ccc(OC(F)F)c(O)c2)Oc2c1ccc1c2CCCC1 587505433 KUTAFVXXJJSBHY-SFHVURJKSA-N 360.356 4.579 0 1 FJAF O=C1C[C@H](c2cc(-n3ccnc3)cs2)Oc2c1ccc1c2CCCC1 587531497 LHWQRQIIIRSYJZ-GOSISDBHSA-N 350.443 4.519 0 1 FJAF O=C1C[C@@H](c2cc(-c3cccs3)on2)Oc2c1ccc1c2CCCC1 587533039 TYHZJSFYUSUFFS-KRWDZBQOSA-N 351.427 4.988 0 1 FJAF C[C@@]1(c2c[nH]c3ccccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589435 OQCSCCOZIPRAON-OFNKIYASSA-N 371.392 4.751 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1C1CC1 587603179 NKGIDAAUHJJVFB-NFBKMPQASA-N 358.393 4.973 0 1 FJAF C[C@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824884 ZWBFRFRBPJSGAB-UYSIFFEZSA-N 360.270 4.678 0 1 FJAF COc1ccc(CCCc2nc3ccc4c(c3[nH]2)CCCC4)c(OC)c1 587928321 CSSGSVGKJQHTGW-UHFFFAOYSA-N 350.462 4.634 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]1(C)CCc1ccc(O)c(OC)c1 963237640 YPQRGRJWFARCPN-HXOBKFHXSA-N 353.506 4.905 0 1 FJAF O=C(O)CCCOc1ccc(-c2cc(OC(F)(F)F)ccc2F)cc1 1772603441 UXXNWFQAORSGLZ-UHFFFAOYSA-N 358.287 4.635 0 1 FJAF CC(C)=CCCC(C)=CCCC(C)=CC[C@@]12CC(=O)O[C@@H](C1)[C@@H](O)CC2=O 2356482668 RHVATUPILPBCCA-JTAQYXEDSA-N 374.521 4.821 0 1 FJAF CC(=O)O[C@H](CC=C(C)C)C(C)=CCOc1cc(=O)oc2cccc(C)c12 2356531634 GYFARDLIBDGFNP-GOSISDBHSA-N 370.445 4.715 0 1 FJAF CCCNC(=O)c1ccc2c(c1)sc1nc(-c3ccc(C)cc3C)cn12 6748853 RCJMGUVZMVRQCS-UHFFFAOYSA-N 363.486 4.973 0 1 FJAF COc1ccc2sc(C(=O)NCc3ccccc3)c(OC(C)C)c2c1 13603738 RETIXUGIWLCLBS-UHFFFAOYSA-N 355.459 4.627 0 1 FJAF CC(=O)Nc1cccc(-c2cncc(Nc3nc(C(C)(C)C)cs3)n2)c1 13679268 JVRVIJGVFCOEMN-UHFFFAOYSA-N 367.478 4.600 0 1 FJAF Nc1nc(N)c2c(OC3(c4cccc(Cl)c4)CCCCC3)cccc2n1 28971623 SVVSECGMILESPT-UHFFFAOYSA-N 368.868 4.686 0 1 FJAF CCc1nc(-c2cnc(C)cc2N(C)C)c(CC)nc1NC(CC)CC 72177996 UTIKVQPIYJNMDZ-UHFFFAOYSA-N 355.530 4.638 0 1 FJAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1c3ccccc3ccc12 100018407 SZSMKRCTLJGRAH-UHFFFAOYSA-N 373.387 4.640 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](CCNC(c1ccc(F)cc1)c1ccc(F)cc1)C2 100897442 IPMUIEOKKFRJCK-PFBXHNHHSA-N 370.487 4.907 0 1 FJAF COc1cc(-c2nc3c(C(=O)O)cccc3[nH]2)cc(OC)c1-c1ccccc1 113981712 UJCNESUGJLTDHA-UHFFFAOYSA-N 374.396 4.612 0 1 FJAF Cc1cccc(OC(=O)[C@H]2[C@H](c3ccc(Cl)cc3)C[C@H]3CC[C@H]2N3C)c1 253639305 DCCIBUPSLSMHHL-PMXSJFBMSA-N 369.892 4.820 0 1 FJAF COc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(F)c1 586989006 WBQVWUNZKFIRSI-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cccc(O)c2[nH]1 587034278 GSRFWNXKEYSCEQ-AWEZNQCLSA-N 365.458 4.754 0 1 FJAF N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@@H]1c1ccccc1F 587154313 DBLICIKRFCIGCL-WZONZLPQSA-N 373.431 4.623 0 1 FJAF Nc1ccc(-c2ccc3nc([C@@H]4C[C@@H]4c4cccc(F)c4)[nH]c3c2)cc1N 587162252 UUNWXRJVZREDOU-IAGOWNOFSA-N 358.420 4.805 0 1 FJAF CCOC(=O)[C@@H](Cc1cccc(Cl)c1)c1cc2c3c(cccc3n1)CC2 587209626 UXJXNSPTQNDGHK-SFHVURJKSA-N 365.860 4.876 0 1 FJAF CC[C@]1(c2ccc(OC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438180 CVVNPEJNDWVKPH-XMSQKQJNSA-N 352.430 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(F)ccc(F)c1Cl)CC2=O 587468029 WEYMPEIFWBLICS-HNNXBMFYSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(S[C@H](C)CC)nc1)CC2=O 587492229 NTXKRMBQNZAFDD-KZULUSFZSA-N 372.490 4.732 0 1 FJAF CC1(C)C([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)C1(C)C 587600798 CFXIWIWECCKULG-ZHRRBRCNSA-N 352.430 4.795 0 1 FJAF Fc1cc2[nH]c(COC/C=C\c3ccccc3)nc2cc1Br 587781034 OQODDKCZTQSBME-DAXSKMNVSA-N 361.214 4.695 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)C(C)(C)c1ccccc1 587870564 MHLSOPXXXBGJCJ-UHFFFAOYSA-N 352.409 4.706 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@H]1c1ccc(C)cc1 587871948 QQERUDHOHLCDOK-OALUTQOASA-N 364.420 4.840 0 1 FJAF O=C(Nc1nc2ccc(OC(F)(F)F)cc2s1)Nc1ccccc1O 653882851 HPZUSSBPDRFAOC-UHFFFAOYSA-N 369.324 4.545 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1ccc(F)cc1 653887489 GLOJXKHRBBEESB-ACIOBRDBSA-N 358.416 4.966 0 1 FJAF CCCc1nnc(C[C@@H]2C[C@H](C(C)C)[C@@H](CNc3cccnc3)C=C2C)o1 2356313520 GVMOORQLVJAWAE-NLWGTHIKSA-N 368.525 4.926 0 1 FJAF CC(C)=CCCC(C)=CC=C[C@]1(C)C[C@H](O)CC(C)=C1[C@@H](O)CC(=O)O 2356845647 OGXRBXPEGCXCCR-XQBPLPMBSA-N 362.510 4.548 0 1 FJAF CC[C@@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C 3791185 LKCRMGJZGXVDFH-WBOFRZOCSA-N 357.538 4.515 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncsc2c1 13761441 HOFCQNWNJWWKGU-KRWDZBQOSA-N 366.530 4.899 0 1 FJAF Cc1sc(-n2cccc2CNCc2ccccc2Cl)c(C(=O)O)c1C 21935402 OJDKJLHVUYEFKL-UHFFFAOYSA-N 374.893 4.797 0 1 FJAF CC(C)(C)NCCCOc1ccc2c(=O)cc(-c3ccccc3)oc2c1 27104932 BGIWICLIRFSTGA-UHFFFAOYSA-N 351.446 4.617 0 1 FJAF CC(C)(CO)CCCCOCCCCC(C)(C)CO[C@H]1CCCCO1 28457239 ZTCSWAUYURESIC-IBGZPJMESA-N 358.563 4.932 0 1 FJAF CC(C)(C)[C@@H](Oc1cccc2nc(N)nc(N)c12)c1ccc(Cl)cc1 28971984 MDGMYIGNKOEWMA-INIZCTEOSA-N 356.857 4.614 0 1 FJAF CC(=O)Oc1c(-c2c(C(C)=O)c3ccccc3n2C(C)=O)[nH]c2ccccc12 29470629 WILSOAARBFRLCE-UHFFFAOYSA-N 374.396 4.578 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C 34212565 LKCRMGJZGXVDFH-UQAQYKANSA-N 357.538 4.515 0 1 FJAF CN1CCC[C@@H]1CCn1ccc2ccc(NC(=N)c3cccs3)cc21 34805615 ZPYXFXHKINDFBM-QGZVFWFLSA-N 352.507 4.625 0 1 FJAF CC(C)(C)c1ccc2c(c1)OCC[C@@H]2NC(=O)Nc1cccc2[nH]ncc12 35996408 OMIRFNXDMYBLLF-KRWDZBQOSA-N 364.449 4.506 0 1 FJAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)Nc1ccccc1 40875516 FYHMOCYQZJFMCO-UHFFFAOYSA-N 367.351 4.809 0 1 FJAF c1ccc2cc(Nc3nccc(Nc4ccc5c(c4)OCO5)n3)ccc2c1 64504185 CHHSHPVXFLJLCJ-UHFFFAOYSA-N 356.385 4.846 0 1 FJAF CCOc1ccccc1CNc1cc(Oc2ccccc2Cl)ncn1 82068417 HLLHAIVLRAGHLN-UHFFFAOYSA-N 355.825 4.933 0 1 FJAF Cc1ccc(C(=O)N2N=C(C(C)(C)C)C[C@H]2c2ccc3c(c2)OCO3)cc1 95555407 XGFUBLPTQWSSNC-KRWDZBQOSA-N 364.445 4.713 0 1 FJAF CCCn1cc(-c2ccc(NC(=O)N3Cc4ccccc4C3)c(F)c2)cn1 165999483 YNIPFOVGIOTGFI-UHFFFAOYSA-N 364.424 4.647 0 1 FJAF CCCOc1cc2nc([C@H]3CCCO[C@H]3CC)[nH]c2cc1Br 586910308 HPXXVPVAYZMKNR-NHYWBVRUSA-N 367.287 4.787 0 1 FJAF C[C@H](Sc1ncccn1)c1nc2ccc(OCc3ccccc3)cc2[nH]1 586964230 ZMVADQGXTPDABT-AWEZNQCLSA-N 362.458 4.785 0 1 FJAF O=C1c2ccccc2-c2cc(-c3c[nH]c4ncccc34)nc3ccc(O)c1c23 586989781 QRNOKCSTQRQSAQ-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF O[C@@H](c1nc2cccc(OCc3ccccc3)c2[nH]1)c1ccccc1Cl 587058322 FHCNNQNYUQQAEL-HXUWFJFHSA-N 364.832 4.877 0 1 FJAF N=c1[nH]ccc2nc(-c3cc(-c4ccccc4Cl)nc4ccccc34)[nH]c12 587060281 JPFPMFVZOFDSDP-UHFFFAOYSA-N 371.831 4.906 0 1 FJAF Clc1ccc2ccn(Cc3nc4cc(Cl)c(Cl)nc4[nH]3)c2c1 587080312 LXXMCCZPOCEOTF-UHFFFAOYSA-N 351.624 4.921 0 1 FJAF O=C(/C=C/c1nc2cc(Cl)cc(Cl)c2[nH]1)Nc1ccc(F)cc1 587166936 KLSNNTNMMJOFQM-AATRIKPKSA-N 350.180 4.661 0 1 FJAF CC(C)(C)c1ccc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2n1 587231663 DIAVFIUEYBHWFI-UHFFFAOYSA-N 360.461 4.805 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)OC)cc4[nH]3)c2)c1 587233099 IOTGTYULPDHNCA-UHFFFAOYSA-N 357.413 4.725 0 1 FJAF O=C(c1coc2ccc(Cl)cc12)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 587278406 MBAQPIPBCRUGGG-LLVKDONJSA-N 374.223 4.975 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(Br)c1Cl)O2 587378543 VEDOYJQGHKUIQL-AWEZNQCLSA-N 366.642 4.700 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H]2C[C@H]3C[C@@H]1C[C@@](Cl)(C3)C2 587459173 GOJJMZLIBXFGTN-XMWAUMHUSA-N 360.881 4.866 0 1 FJAF COC(=O)c1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587508502 RXGCJCXUXYJFIK-LJQANCHMSA-N 370.832 4.712 0 1 FJAF CCCc1ncc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611838 KCBKYFUNTFVEPM-XLIONFOSSA-N 367.426 4.504 0 1 FJAF CCCc1ccc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587617392 OZYAUATZPOSHGG-WIYYLYMNSA-N 350.370 4.641 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1-c1ccc2c(c1)CCC2 587659948 LNUJQKDOGSSWCD-UHFFFAOYSA-N 356.400 4.681 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(F)c(F)c2)N1 587723530 AVQIAUMBLMJEKC-HUTHGQBESA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](Cc2ccccc2F)N1 587726846 LJQZMTMIUZXOKL-MEBBXXQBSA-N 352.222 4.545 0 1 FJAF Cc1ccc(OC[C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1 587801336 KIAWKZIOAHTXFU-WBMJQRKESA-N 364.258 4.551 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587845024 QFPCIEJBROICRP-BCTVWOGZSA-N 354.288 4.890 0 1 FJAF O=N[C@H](COc1cc(F)cc(F)c1)n1c(O)cc(C2CCCCC2)c1O 587946251 VCGFBVUFZPLPFX-INIZCTEOSA-N 366.364 4.569 0 1 FJAF c1cnc(-c2ccc([C@@H]3c4ccsc4CCN3Cc3ccco3)cc2)nc1 962719999 YBNPUPWGJVQDNM-OAQYLSRUSA-N 373.481 4.946 0 1 FJAF COc1c2cc(c(OC)c1O)Oc1ccc(cc1)CCC(=O)CCC=C2 1857582961 HVQRFFWEQMSKPG-UHFFFAOYSA-N 354.402 4.510 0 1 FJAF CCCCC[C@@H]1CC[C@H]2[C@H](CC=CCCCC(=O)OC)C(=O)C[C@H]2O1 2356437031 FCMFHXNVRJAYJM-DOADOZAASA-N 350.499 4.609 0 1 FJAF O=C(C=CCCCCCCC=Cc1ccc2c(c1)OCO2)N1CCCC1 2356571604 VZDKNTSKFORBBF-UHFFFAOYSA-N 355.478 4.948 0 1 FJAF CCOc1cccc(-c2onc(C(C)(C)C)c2C(=O)N[C@@H](C)C(C)C)c1 776222 KICZHKRELNVKTH-AWEZNQCLSA-N 358.482 4.812 0 1 FJAF COC(=C\C(C)=C\[C@H]1CCCc2c1oc1ccc(O)cc21)/C=C/C(=O)O 13412070 WIGMDADUQLISQR-NKZSGIIPSA-N 354.402 4.676 0 1 FJAF CC[C@@]1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O 27640602 FVIICCXIXDSZAK-SFHVURJKSA-N 371.260 4.782 0 1 FJAF O=C(O)C[C@@H](O)CCc1ccc(-c2ccc3c(c2)Cc2ccccc2-3)cc1 45245352 WAQGXNYSPYKOPK-NRFANRHFSA-N 358.437 4.693 0 1 FJAF C/C=C(/C)C(=O)OC/C=C/c1cc(OC)c(OCCC(C)C)c(OC)c1 49047493 ZCBVTMGCOVXDMW-QQNNUESCSA-N 362.466 4.651 0 1 FJAF CC[C@H](C)[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112147 UJPKDQKXBREQBZ-XYZCENFISA-N 356.249 4.764 0 1 FJAF C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 96914024 SXUGJFNHBLLZLI-QIZZZRFXSA-N 373.581 4.828 0 1 FJAF Cc1cc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)ccc1F 140190290 VIWVJIBXXITBTG-UHFFFAOYSA-N 370.431 4.743 0 1 FJAF CC(C)(C)c1ccc(-n2cc(CSc3nc4ccccc4o3)nn2)cc1 169340329 DOKXRCFCOGDSEH-UHFFFAOYSA-N 364.474 4.998 0 1 FJAF c1ccc(-c2cc(OCCCN3CCCC3)nc(-c3ccccc3)n2)cc1 299819241 ABDLPEZEFXJPFP-UHFFFAOYSA-N 359.473 4.675 0 1 FJAF COc1cc(OCc2ccc(Cl)cc2)ccc1CNCc1ccncc1 299836159 MBQLUXGNGCVTCN-UHFFFAOYSA-N 368.864 4.612 0 1 FJAF O=C1[C@H]2CC=C[C@H]1C[C@@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)C2 586885370 MIMPZCLKTCHKHI-OKZBNKHCSA-N 358.441 4.781 0 1 FJAF Fc1cc2nc(-c3csc(-c4ncccc4Cl)n3)[nH]c2c(F)c1F 587017340 KBFQPTUYUCYSMZ-UHFFFAOYSA-N 366.755 4.819 0 1 FJAF CCOc1cc(/C=C\c2nc3cccc(OC)c3[nH]2)ccc1OC(F)F 587129571 DPTAEVAYXOGFRF-NTMALXAHSA-N 360.360 4.742 0 1 FJAF COc1ccc(Cc2nc3cccc(OCc4ccccc4)c3[nH]2)c(F)c1 587148491 IRVZVTQYQXVZFF-UHFFFAOYSA-N 362.404 4.880 0 1 FJAF O=C(/C=C\c1nc2ccc(SC(F)(F)F)cc2[nH]1)Nc1ccccc1 587244972 UAJMYISRDXEYQX-HJWRWDBZSA-N 363.364 4.827 0 1 FJAF COc1cc2c3c(c1)O[C@H](CCc1c(Cl)cccc1Cl)[C@@H](C2)C3=O 587423174 SYYRGGAVUWDNMX-CZUORRHYSA-N 363.240 4.751 0 1 FJAF CCOc1ccc2ccccc2c1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443433 VKYMSNMQSFHFEL-HXOBKFHXSA-N 360.409 4.736 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)nc1C1CCCCC1)CC2=O 587476244 QUYNJEOJFJXXGO-FQEVSTJZSA-N 368.477 4.832 0 1 FJAF C[C@@H](O)[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532343 PQJWCSOWXJNGEX-WYRIXSBYSA-N 362.878 4.522 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c(F)cc(F)cc1F 587558419 RYQNTIWKHFGXDE-PXNSSMCTSA-N 372.298 4.512 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2cc[nH]c2c1 587589781 QTFRNANZWYJKIB-KNQAVFIVSA-N 357.365 4.576 0 1 FJAF C[C@H]1CCc2ccccc2[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824239 VSGSZEVSFDDNDB-RDXCRGQUSA-N 374.297 4.948 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587850156 XOJFZPWPJCGXHW-JDNHERCYSA-N 354.288 4.756 0 1 FJAF COc1cc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2cc1OC 587949197 ATESDKQAFIYSLL-UHFFFAOYSA-N 360.413 4.963 0 1 FJAF CC1(C)CCC(Cc2nc3cc(Br)cc(C(=O)O)c3[nH]2)CC1 587963651 PQFIKUVUVSTYND-UHFFFAOYSA-N 365.271 4.783 0 1 FJAF Cc1sc2c(c1C)C(c1ccc(Cl)cc1)=N[C@@H](C)c1nnc(C)n1-2 653707854 YUZQVULRBZWKKT-JTQLQIEISA-N 356.882 4.819 0 1 FJAF Fc1cccc2c1[C@](COC(F)(F)F)(c1ccccc1)N1CCC[C@H]1C2 963104050 GTTZCWAJBNWJDQ-LPHOPBHVSA-N 365.370 4.626 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12CCC[C@H]2NC(=O)OC(C)(C)C 963237752 ZJMUVIAPUYZJGM-PERKRYKHSA-N 358.526 4.616 0 1 FJAF Cc1cc(N(C)c2nccc3occc23)ccc1-c1c(C)ncc2nccn12 1857552708 LKNALLIYUNZEPZ-UHFFFAOYSA-N 369.428 4.922 0 1 FJAF COc1ccc2c(C)cc(C)cc2c1-c1ccc2c(c1)[C@](C)(O)N[C@@H](C)C2 2356697400 HMLSYQKZLKHYSQ-FYSMJZIKSA-N 361.485 4.831 0 1 FJAF C[C@@H]1C=C[C@@H]([C@H](O)CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)CC1 2356747237 ZSDHBKWEFFUPKB-RADWXHQJSA-N 372.505 4.569 0 1 FJAF CCCC[C@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@@H](c2ccc(C(C)C)cc2)O1 95566997 RMWUUAXMODOHIW-MAUKXSAKSA-N 358.507 4.777 0 3 FJAF C[C@@H]1CCC[C@@H](C)N1CCNc1ccc2c(-c3ccccc3F)noc2n1 205223760 QNDTUJFZPRISMQ-HUUCEWRRSA-N 368.456 4.704 0 3 FJAF CN(C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@@H]1N1CCCC1 6010251 VJCOWILXIKFCRJ-SJORKVTESA-N 370.324 4.864 0 1 FJAF COc1ccc([C@H]2[C@H](C)[C@H](C)[C@H]2c2ccc(OC)c(OC)c2)cc1OC 14726781 IOTXFXWARGNLEJ-DQEHQXCCSA-N 356.462 4.874 0 1 FJAF CC(=O)OCC1=CC[C@H]2[C@@](C)(CCC[C@@]2(C)C(=O)O)[C@@H]1CCc1ccoc1 15164889 BMYLRKVXOFJPON-XMGTWHOFSA-N 374.477 4.619 0 1 FJAF biogenic C/C1=C/[C@@H](O)[C@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C/C(C)=C\CC1 15254201 XUVXBQLHPFQADG-DSOODJNPSA-N 358.478 4.627 0 1 FJAF CCOc1cccc2c1C[C@@H](C(=O)Nc1ccc(N(CC)CC)cc1)CC2 28353657 IUQFOAKXUIXWAC-SFHVURJKSA-N 366.505 4.675 0 1 FJAF COc1ccc(C(=O)c2sc(Nc3ccccc3)c(C(=O)O)c2C)cc1 28713184 AMRASKLOKQOHBK-UHFFFAOYSA-N 367.426 4.738 0 1 FJAF C[C@@H]1S[C@H](c2c(Cl)cccc2Cl)N(Cc2cccnc2)C1=O 40423923 LKXQTLAWFJJCNQ-MGPLVRAMSA-N 353.274 4.551 0 1 FJAF CCO[C@@H]1OC[C@@]2(C)CCC[C@@]13c1cc(O)c(C(C)C)cc1C(=O)C[C@@H]23 66103174 AVCUMQCXLPRLSN-CBPXPLCBSA-N 358.478 4.539 0 1 FJAF biogenic,in-vitro CC(=O)c1cccc(C(SCCN)(c2ccccc2)c2ccccc2)c1 84603173 FYVIRCUVQLOZOS-UHFFFAOYSA-N 361.510 4.873 0 1 FJAF in-vitro C1=C\Cn2ccc3ccc(cc32)-c2ccnc(n2)Nc2cccc(c2)COC/1 138786475 GHBIFDBGDNHWRO-UPHRSURJSA-N 368.440 4.928 0 1 FJAF [C-]#[N+]c1ccc(N[C@@H](c2nnc(-c3ccccc3)o2)[C@H](C)O)c2ccccc12 146542368 GCNMKVGMAKQJHP-VBKZILBWSA-N 370.412 4.975 0 1 FJAF CCN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169310105 CAJALTAVRYNFRC-HQTNTUHFSA-N 359.554 4.789 0 1 FJAF CO[C@@H]1C[C@@H]2C[C@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169356216 BLHLYSLDSMMWFB-KGWSWXIGSA-N 371.908 4.696 0 1 FJAF CCCCN1N=C2/C(=C/c3ccccc3)CN(C)C[C@H]2[C@@H]1c1ccccc1 196481757 ZAQZOHNCTFTXGU-UAMJMNFZSA-N 359.517 4.845 0 1 FJAF CC1=CC[C@@H](COc2ccc3ccc(=O)oc3c2)[C@]2(C)C(=O)CC(C)(C)[C@H]12 238764366 WTQJTXGHXWJQCP-JFJYTDJESA-N 366.457 4.760 0 1 FJAF CN1CC[C@]2(N3CCCC3)C[C@@H](c3ccccc3)[C@@H]1[C@@H](c1ccccc1)C2 253681992 IEEUUMSWWJYKDX-UCDDGIFISA-N 360.545 4.887 0 1 FJAF OCCCCCCCCCCCc1nc2cncc(Br)c2[nH]1 586894379 BXMAUXZGDQZIKY-UHFFFAOYSA-N 368.319 4.766 0 1 FJAF Fc1c(Br)ccc2nc([C@@H]3SCCc4sccc43)[nH]c12 587037029 QLVWRIILFLDNQB-CYBMUJFWSA-N 369.284 4.905 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3nc(C)c(Br)cc3[nH]2)n1 587078854 CGFTZLWWTZMGOD-ZETCQYMHSA-N 368.666 4.517 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2cc(Br)c(F)cc2[nH]1 587168271 DUXQVEWFODCJQA-QMMMGPOBSA-N 353.166 4.744 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4ccc(C)c(C)c4[nH]3)c2)c1 587232370 RRPNDTFOLOFJTM-UHFFFAOYSA-N 369.468 4.797 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]32)[C@@H]1c1ccc(F)cc1 587354225 PWIBXDMPSLVCRL-SQLOYWTESA-N 364.416 4.695 0 1 FJAF Cc1ccc(C[C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587404079 UPWGKIJEYKOGGC-XMMPIXPASA-N 357.453 4.989 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(Cc1cc(Cl)cc(Cl)c1)[C@@H](C2)C3=O 587421702 WSAISCKEOKGCFN-HNAYVOBHSA-N 363.240 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccc(-c4ccc(F)cc4)c1)[C@@H](C2)C3=O 587428737 OUWNMTLHHFNJFC-WMZHIEFXSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@]1(C[C@H](c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587446329 CBLWIGHNHZCIIE-QVNIBDNGSA-N 368.432 4.874 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@H](c3cccnc3)C1)CC2=O 587486567 CUDYMZWLJGLSPU-NYHFZMIOSA-N 351.446 4.802 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccc1)(c1ccncc1)CC2=O 587488758 JJPJTAAWHBFDAZ-HSZRJFAPSA-N 359.425 4.649 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccnc(C(F)F)c2)N1 587719709 RAMSXDIXRJMSOE-GLEZIHRCSA-N 371.200 4.544 0 1 FJAF Cc1ccc(F)c([C@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587721455 VVGIGZXWTRNEPX-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF CCn1c(C)cc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1C 587754459 YYEQGUCPJNLVJD-MGNBDDOMSA-N 365.290 4.650 0 1 FJAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)c1 587809362 PVKQXLFFJMKHNZ-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2scnc2C2CC2)N1 587853079 KRYLPXSTJNDMSD-ANRSDYALSA-N 367.287 4.546 0 1 FJAF Cc1cc(OCC(=O)n2nc3cc2Oc2ccc(F)cc2-3)ccc1Cl 587873850 KNMMYSLBNFIXHK-UHFFFAOYSA-N 358.756 4.476 0 1 FJAF COc1ccc2c(c1)[C@](CC(=O)c1ccccc1)(C(F)F)N(C(C)C)CC2 962085738 AKUWSKWKSYKOPE-JOCHJYFZSA-N 373.443 4.695 0 1 FJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@@H]2c1cnc2ccccc2c1 962715005 UVBRMFFDRRNCPF-HTAPYJJXSA-N 364.489 4.827 0 1 FJAF Cc1cc(C)n([C@@H]2CCC[C@@]3(C2)NCCc2c(Cl)cc(Cl)cc23)n1 963108372 NTZMLWATKOSIIH-BEFAXECRSA-N 364.320 4.963 0 1 FJAF C/C=C(/C)C(=O)OC[C@H]1c2c(c(OC)c3occ(C)c3c2C)C=C[C@H]1OC 1911582889 GYYDVBMJVUZPED-SWSHNTHGSA-N 370.445 4.693 0 1 FJAF CC(=O)O[C@@H]1c2c(C)coc2C[C@@H]2CC[C@H](OC(=O)C=C(C)C)[C@@H](C)[C@]21C 2356598302 LVEQJEMTPJQUOC-ABFCMXLGSA-N 374.477 4.679 0 1 FJAF O=C(NC1CCCCC1)c1c(-c2ccccc2F)noc1-c1ccoc1 775013 WNIQWJJCUXDNQX-UHFFFAOYSA-N 354.381 4.803 0 1 FJAF O=C(c1ccc2c(c1)N=C(O)c1ccccc1S2)N1CCCCCC1 3032923 SBLIDSZCWHBZAV-UHFFFAOYSA-N 352.459 4.804 0 1 FJAF Cc1ccnc(N2C(=S)CS[C@H]2c2c(Cl)cccc2Cl)n1 3596813 FYEPGVXDVLFKJX-ZDUSSCGKSA-N 356.303 4.671 0 1 FJAF COc1ccc2c(c1)OC[C@H]1c3ccc(OCc4ccccc4)cc3O[C@H]21 6484841 HJOWUMBTYPBLOG-NZQKXSOJSA-N 360.409 4.884 0 1 FJAF Cc1c([C@@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O 13474591 UBGUQYHIHIWAKK-JTQLQIEISA-N 350.434 4.543 0 1 FJAF CC[C@H](C)C[C@H](c1nc(C(=O)O)c(-c2c[nH]c3ccccc23)o1)N(C)C 14587329 PBQNIVCBQWLBLF-BLLLJJGKSA-N 355.438 4.560 0 1 FJAF biogenic COc1ccccc1C(=O)Nc1nc2cc(C(F)(F)F)ccc2s1 26287904 WBFBQHWUSFCJST-UHFFFAOYSA-N 352.337 4.576 0 1 FJAF COc1cccc(-c2cnc(N)c(-c3nc4cc(Cl)c(F)cc4[nH]3)c2)c1 38495369 TWWBQGYWZTWEHB-UHFFFAOYSA-N 368.799 4.675 0 1 FJAF CCCCOc1ccc(-c2nc(C(=O)OCc3ccccc3)co2)cc1 49067765 PYGYIWFETFNLKD-UHFFFAOYSA-N 351.402 4.878 0 1 FJAF COc1ccc2nc3c(cc2c1)C=NN=C(Nc1cccc(Cl)c1)S3 98084403 IYUUAHXMBMGEBE-UHFFFAOYSA-N 368.849 4.805 0 1 FJAF O=C(NCc1cccc(Cl)c1)c1nc2c(-c3ccccc3)cccc2[nH]1 103268337 MOSIJYALUGKDKL-UHFFFAOYSA-N 361.832 4.813 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)C2=C(O)CCCC2=N1 103521185 BEBCQDXJGZJFNJ-FQEVSTJZSA-N 351.446 4.981 0 1 FJAF COC(=O)[C@H]1[C@H](C)CC[C@@]2(C)[C@@H]3C[C@H](OC(C)=O)C=C(C)[C@@]3(C)CC[C@H]12 238760068 KIPBJOAUMJHVAI-GSQGGTRBSA-N 362.510 4.526 0 1 FJAF CCC(C)(C)c1ccc(-c2nc3cc(C4=C(C)CC(=O)NN4)ccc3[nH]2)cc1 586880082 CDHVRYAJYAEXJM-UHFFFAOYSA-N 374.488 4.673 0 1 FJAF FC(F)(F)Sc1ccc2nc([C@@H]3COc4ccccc4O3)[nH]c2c1 586919220 ZYHIKVCWDKYKPK-AWEZNQCLSA-N 352.337 4.687 0 1 FJAF COc1cc(/C=C/c2nc3ccnc(Cl)c3[nH]2)ccc1Br 586978190 YUJMDVBKUBHTIC-HWKANZROSA-N 364.630 4.553 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3csc4ccc(O)cc34)nc12 587032010 FDQLWOZFKQVCPK-UHFFFAOYSA-N 360.236 4.616 0 1 FJAF Cc1cc(Cl)cc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c12 587078757 AYWQCSVMNPOYAR-AWEZNQCLSA-N 359.260 4.902 0 1 FJAF N[C@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)c(F)cc2[nH]1 587080260 OEKOEGYDJRFQCX-CYBMUJFWSA-N 363.223 4.733 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1 587251118 YRQFZBGOERSJTI-UHFFFAOYSA-N 365.339 4.801 0 1 FJAF Nc1cc(-c2nc3ccc(F)c(Br)c3[nH]2)c2ccccc2c1 587252525 YPKRHOBZEYWFIE-UHFFFAOYSA-N 356.198 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1sccc1NC(=O)OC(C)(C)C)O2 587411807 WDTWZYUHMWRIJU-OAHLLOKOSA-N 374.462 4.692 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1sc(-c3ccccc3)cc1N)O2 587412173 XWYVQSRVGBPQGR-OAQYLSRUSA-N 364.470 4.769 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(SC(F)(F)F)cc1)[C@@H](C2)C3=O 587424072 XANBILRPANCNJA-SUMWQHHRSA-N 366.360 4.796 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cccc(OC)c31)CC2=O 587484149 WXXAZROQIFAVKA-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF COc1ncc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1Cl 587503573 VFXGJRKXZTYFBD-HXUWFJFHSA-N 357.837 4.503 0 1 FJAF O=C1C[C@@H](c2ccc(Br)cc2O)Oc2c1ccc1c2CCCC1 587505016 RYWROAPAWUEGGF-SFHVURJKSA-N 373.246 4.740 0 1 FJAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587809608 RCSNLVPPBKOHQB-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF Cc1cc2c(cc1C)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587817168 IYNZNPNJCHBTLQ-RNODOKPDSA-N 374.297 4.929 0 1 FJAF CSc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)s1 587849818 WBYIRHAZNLHMQT-ANRSDYALSA-N 372.328 4.995 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(Cl)cs2)N1 587850126 XGXIESODNQTGGJ-JKYUHCHBSA-N 360.679 4.927 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)F)ncc2[nH]1 587935362 TXFXIGUWWQXKAF-UHFFFAOYSA-N 359.351 4.558 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1 587952582 UCOGKUKROSJDQT-VOMCLLRMSA-N 357.281 4.947 0 1 FJAF CN(Cc1ccc(CN(C)c2ccc(F)cc2)nc1)c1ccc(F)cc1 653837849 HIVDJIRLONFAQR-UHFFFAOYSA-N 353.416 4.633 0 1 FJAF CCOC(=O)c1ccccc1[C@@]1(C2CCC2)NCCc2ccc(F)c(C)c21 962086640 ACSMGKQHAANKSJ-HSZRJFAPSA-N 367.464 4.500 0 1 FJAF Cc1cc2c(cc1F)[C@]1(C=C(c3ccccc3)Oc3ccccc31)NCC2 962295443 DRSYFJVYQLZGIQ-XMMPIXPASA-N 357.428 4.957 0 1 FJAF O=C(O)CC[C@H]1Cc2cc(-c3cc(OC(F)(F)F)ccc3F)ccc2O1 1772623044 MGYBBSHVDYKNTD-LBPRGKRZSA-N 370.298 4.560 0 1 FJAF Cc1noc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cc2)c1 1857538489 GKUNICUZFCNKOS-UHFFFAOYSA-N 351.402 4.555 0 1 FJAF Cn1nc(-c2cc(F)cc(Cl)c2)cc1[C@H]1COC2(CCCCC2)O1 1857588714 XMMWGJBELILTNI-QGZVFWFLSA-N 350.821 4.628 0 1 FJAF COC(=O)c1[nH]c2cc(OC)ccc2c1-c1ccc(Cl)c(Cl)c1 1857603091 MGWZOCAXNOFFGE-UHFFFAOYSA-N 350.201 4.937 0 1 FJAF CC1=C[C@H](CNCc2ccc(F)cc2)[C@@H](C(C)C)C[C@@H]1Cc1nnc(C)o1 2356300645 KUXFBARQZQRLPZ-SFHLNBCPSA-N 371.500 4.704 0 1 FJAF COc1ccc(N=c2cc(C)nc(-c3ccccc3)[nH]2)cc1C(F)(F)F 2382234475 OXAJNGNEEZUPQQ-UHFFFAOYSA-N 359.351 4.645 0 1 FJAF CCOc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC(C)C)cc1 773734 ARFUXZKARBJGBA-UHFFFAOYSA-N 368.408 4.685 0 1 FJAF O=C(c1oc(=O)c2ccccc2c1-c1ccccc1)N1CCc2ccccc21 4972032 FVIFAHGZJKUACK-UHFFFAOYSA-N 367.404 4.663 0 1 FJAF Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)OCC(C)C)c1 6483671 RAVQXTOXTZWMKS-UHFFFAOYSA-N 351.855 4.842 0 1 FJAF CCC(=O)CC[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@@H]12 13610516 OPHZDRYBOFJDHR-RBZUOLAMSA-N 356.506 4.595 0 1 FJAF CCCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18113745 MVPJEKQXGCAIGL-IRLDBZIGSA-N 368.498 4.890 0 1 FJAF CC(=O)Oc1c(OC/C=C(\C)CCC=C(C)C)ccc2ccc(=O)oc12 26295931 DQHLVOIPVXKVBA-NTCAYCPXSA-N 356.418 4.790 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386030 RDPJISLOFXUIDK-RUAHKBMVSA-N 357.538 4.515 0 1 FJAF CC(=O)O[C@]1(C)CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1C/C=C1/CCOC1=O 26978050 LTYULOTZULIYGC-NNWFMGMUSA-N 362.510 4.814 0 1 FJAF COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1Cc1cccc(Cl)c1 64491741 MOEMZDNFRMSDIA-WOJBJXKFSA-N 357.881 4.651 0 1 FJAF in-vivo O=C1CC(=O)CC([C@H]2C[C@H]2c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1 103015932 ZGNWACSWSPOQCW-LSDHHAIUSA-N 364.285 4.766 0 1 FJAF CCN(CC)c1cccc(OCc2cc(=O)oc3ccc(Cl)cc23)c1 103223619 AZPCVLLOBSAKNV-UHFFFAOYSA-N 357.837 4.872 0 1 FJAF CC[C@H]1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12 219442240 LRJYXRIINFMDRS-HNNXBMFYSA-N 364.449 4.618 0 1 FJAF Clc1ccc(C2=C[C@@H](c3nc4cc(Cl)nc(Cl)c4[nH]3)ON2)cc1 587077766 ZORWIMVSCUMUFM-NSHDSACASA-N 367.623 4.535 0 1 FJAF Cc1ncn(Cc2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1C 587097955 MELHEBIQQDNRLR-UHFFFAOYSA-N 353.425 4.616 0 1 FJAF C[C@@H](c1nc2cc(C(=O)O)c(F)cc2[nH]1)c1ccccc1C(F)(F)F 587098344 QMBCGDLBURZOKG-MRVPVSSYSA-N 352.287 4.571 0 1 FJAF N[C@@H](Cc1nc2ccc(OC(F)(F)F)cc2[nH]1)c1cccc2ccccc12 587259687 ZACLLUMXTMOALI-INIZCTEOSA-N 371.362 4.857 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(O)c3ccsc3c1)CC2=O 587494095 IAGAXFYIPGNRDG-SFHVURJKSA-N 354.427 4.972 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)c1Cl 587500047 XZLNXYGRZRHIJE-SFHVURJKSA-N 372.848 4.943 0 1 FJAF CCC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587619783 ZDPUCJXCEVOKLF-UGKGYDQZSA-N 364.397 4.728 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3cc(C)cc(Br)c3[nH]1)CC2 587933966 BTFKDPXRAQGWCC-CYBMUJFWSA-N 371.278 4.915 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1ccccc1-c1ccncc1)N(C)[C@@H](C)C2 962625819 JZODQMDWIBIHDM-FYSMJZIKSA-N 374.484 4.732 0 1 FJAF Cc1ccc([C@]2(CCc3ccc(F)cc3)NCCc3c(C)ccnc32)cc1 963075515 SIKSLAULJZTIQG-DEOSSOPVSA-N 360.476 4.860 0 1 FJAF Fc1cccc2c1[C@@H](c1ccccc1OCc1cccnc1)N1CCC[C@@H]1C2 963117422 YRQFJJZNUVJRIM-NTKDMRAZSA-N 374.459 4.910 0 1 FJAF Fc1ccccc1CC[C@H]1CN(Cc2ncn3ccccc23)CCC1(F)F 1772620708 BEHBHQPFSHRDLR-KRWDZBQOSA-N 373.422 4.563 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(C)=O)[C@]2(C)[C@@H]1C 2356643228 LJMVPNYZXHUHTL-UPKZKSNJSA-N 374.477 4.679 0 1 FJAF COc1cc([C@H](O)c2nc(-c3ccc(F)c(Cl)c3)cs2)ccc1F 61897039 YIYCJNDWYCOEHD-INIZCTEOSA-N 367.804 4.832 0 3 FJAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)C1(c2ccccc2)CCCCC1 13734062 QMNHUHKQSGXSPA-PMACEKPBSA-N 356.554 4.658 0 1 FJAF CCOP(=O)(OCC)[C@@H](CCCCc1ccc(OC)cc1)C(C)=O 27752885 WCQPPVLANBMAAW-SFHVURJKSA-N 356.399 4.632 0 1 FJAF Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N4CCCCC4)cc3)c2)o1 29131009 AOBVNVRAFXWMAQ-UHFFFAOYSA-N 361.445 4.647 0 1 FJAF COc1ccccc1-c1nnc(C2(c3ccc(Cl)cc3)CCC2)n1C 38930172 ZVHDYQKHKNEHDW-UHFFFAOYSA-N 353.853 4.614 0 1 FJAF COc1cc(/C=C\Cc2cc(O)c3cc(C)oc3c2)cc(OC)c1OC 40565720 LCQFMQSGMSSSFN-ALCCZGGFSA-N 354.402 4.729 0 1 FJAF COc1ccc(C)c(Nc2ccnc(Nc3ccc(-c4cnc[nH]4)cc3)n2)c1 45210909 MZEKLYWRHYJZLM-UHFFFAOYSA-N 372.432 4.671 0 1 FJAF O=C1NC[C@@H](c2cccc(-c3ccccc3)c2)N1c1ccc2[nH]cnc2c1 116194095 BPMIYWJABFZDBX-NRFANRHFSA-N 354.413 4.501 0 1 FJAF CCOc1nn(-c2ncc(C3CC3)cc2F)c(C)c1Cc1ccccc1 473107026 ZXVWUEZCNHXWGY-UHFFFAOYSA-N 351.425 4.582 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC(C)(C)[C@H](C(=O)O)C4)-c1ccccc1C2=O 587101431 NEYZCHGCGWFASM-KRWDZBQOSA-N 371.436 4.580 0 1 FJAF COc1nccc2nc(-c3ccc(F)c(-c4ccc(C(C)=O)cc4)c3)[nH]c12 587139687 QDZNPKRHEUASBH-UHFFFAOYSA-N 361.376 4.642 0 1 FJAF Fc1ccccc1-c1cccc(-c2nc3nc(Br)c[nH]c-3n2)c1 587153649 XGSCBUDWXARSIP-UHFFFAOYSA-N 369.197 4.540 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cc(C)ccc1C)[C@@H](C2)C3=O 587431302 NMOOMJYLEKQAKY-GAJHUEQPSA-N 359.425 4.591 0 1 FJAF Cc1oc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1Br 587496137 HDUGLCCCUPGFPK-QGZVFWFLSA-N 361.235 4.936 0 1 FJAF C[C@@]1(c2cccc(Br)n2)CC(=O)c2ccc3c(c2O1)CCCC3 587496539 IABRJJIPMRAGBS-IBGZPJMESA-N 372.262 4.604 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ncccc12 587590425 ZZQHCKKUUBTFNZ-OFNKIYASSA-N 369.376 4.643 0 1 FJAF CSC(=C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1)SC 587615609 YUFBNKMUNWFFJM-VQIMIIECSA-N 374.483 4.680 0 1 FJAF CC[C@@]1(c2ccc(C)o2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615831 HPRDMYRLDLKNKE-NQIIRXRSSA-N 350.370 4.561 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587716948 KDMWNNNBAPBDGK-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc(F)c2F)N1 587725164 BRPBABCXJWGEOF-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2C(C2CCC2)(C2CCC2)N1 587820475 PNZJANDRMLALIB-LLVKDONJSA-N 352.291 4.918 0 1 FJAF C[C@H]1Cc2ccccc2[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587824609 XTPMFUGLNSUMCK-AVCJSFLBSA-N 360.270 4.558 0 1 FJAF COc1ccc2c(c1OC)[C@](c1ccc(F)c(F)c1)(C1CC1)N(C)[C@@H](C)C2 962568194 DNTPPHSZGRXLRP-WHEQGISXSA-N 373.443 4.512 0 1 FJAF Fc1cccc2c1CCN([C@@H]1CCSC1)[C@H]2C1Cc2ccccc2C1 962698952 DFYBIQKJSYMWDS-GCJKJVERSA-N 353.506 4.645 0 1 FJAF C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C(=O)O)cn2C 2382238518 MOJYPIJIRIRHJX-UHFFFAOYSA-N 370.499 4.777 0 1 FJAF O=C1c2ccc(F)cc2CC[C@H]1C1CCN(CCc2ccccc2)CC1 13734315 PFOHALKXQIXUFE-NRFANRHFSA-N 351.465 4.526 0 1 FJAF COc1cc2oc3ccccc3c2cc1NC(=O)c1ccc2nccnc2c1 28569507 ABKGCMVJSOBYOU-UHFFFAOYSA-N 369.380 4.790 0 1 FJAF Clc1ccc(CN2CCN3Cc4ccccc4-n4cccc4[C@H]3C2)cc1 33893459 DYOPDPNESZMMSU-JOCHJYFZSA-N 363.892 4.503 0 1 FJAF CCOc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)cc1C 43071971 HWQYYLDQQJCZIC-CYBMUJFWSA-N 361.873 4.627 0 1 FJAF O=C(Nc1ccc(-c2ccccc2)cc1)c1nnc(Nc2ccccc2F)o1 84738818 ULHJJYRIVGIWEO-UHFFFAOYSA-N 374.375 4.872 0 1 FJAF N=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(OC(F)(F)F)cc1 103259095 YLIFVXFYMMMGEW-UHFFFAOYSA-N 352.400 4.717 0 1 FJAF FC(F)(F)c1cccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1 114338061 QOYNRBLJACVNTD-GOSISDBHSA-N 374.410 4.658 0 1 FJAF CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CCCC3 327199038 CMTAGKCWGROXER-UHFFFAOYSA-N 351.475 4.572 0 1 FJAF Cc1ncc(-c2nc3c(Cl)cnc(Cl)c3[nH]2)c(C)c1Br 586978672 AVBJHSZLIBPOBC-UHFFFAOYSA-N 372.053 4.706 0 1 FJAF COc1cccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1F 586988160 FLGYXNZJBLSONH-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Cc1cc2[nH]c(-c3cccn4c(Br)cnc34)nc2cc1Cl 587006570 HPXRGSSSHTTXTR-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF Cc1csc(SCc2ccc(-c3nc4nc(C)ccc4[nH]3)cc2)n1 587022400 WTDKHJOLXDMNBC-UHFFFAOYSA-N 352.488 4.991 0 1 FJAF c1ccc(-c2nc3ccc4ncccc4c3[nH]2)c(OCc2cscn2)c1 587029292 NADBUIHHCMQTND-UHFFFAOYSA-N 358.426 4.814 0 1 FJAF Fc1cnc2nc(-c3ccc(COc4ccccc4Cl)cc3)[nH]c2c1 587063205 IBJJLEOUVFNGQQ-UHFFFAOYSA-N 353.784 4.996 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1C1CCOCC1)CC2=O 587486487 LJAZGXDOGROUDZ-JOCHJYFZSA-N 366.457 4.945 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1C1CCC(F)(F)CC1 587552515 AHMRQPNOLIVJBT-QFBILLFUSA-N 360.356 4.548 0 1 FJAF CCNc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587573875 UYJOIUDYJJKUMZ-KNQAVFIVSA-N 361.397 4.527 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CCCC[C@H]2C1CC1 587601573 DRMUTCCXFHGTOG-BPXKWBHBSA-N 350.414 4.693 0 1 FJAF CSc1c(C(F)(F)F)[nH]c2c1c(Br)cc1n[nH]cc12 587621983 SKJSFFJWQKZTQX-UHFFFAOYSA-N 350.163 4.547 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc3c(c2)CCC3)N1 587814669 HWRCVHWXYJSGEX-MPBGBICISA-N 374.297 4.875 0 1 FJAF CCCCNC(=O)n1nc(-c2cc(Cl)ccc2Cl)cc1OCC 587858087 COZSUPMLFJHKSD-UHFFFAOYSA-N 356.253 4.613 0 1 FJAF c1ccc(-c2cccc3c2[C@@](c2cccnc2)(c2ccccn2)NCC3)cc1 962667882 WQSPVRZJEDHQGS-RUZDIDTESA-N 363.464 4.581 0 1 FJAF CC(C)=CCC(CC=C(C)C)[C@@]1(C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963529791 YFDSZVJEJKKNCN-WMZHIEFXSA-N 371.521 4.844 0 1 FJAF O=C1/C(=C/c2ccc(Oc3ccccc3)cc2)NC(=S)N1c1ccccc1 1857644000 KMXRFHLHTHUSSH-HKWRFOASSA-N 372.449 4.741 0 1 FJAF COc1cccc(C(=O)N=c2oc3ccccc3c(O)c2-c2ccccc2)c1 2356838711 MCIZVKDYYXWLIT-UHFFFAOYSA-N 371.392 4.555 0 1 FJAF O=C1CCC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)O1 13730571 XQLJSGHDHXMAFP-QGZVFWFLSA-N 364.470 4.932 0 1 FJAF O=C(CCC1CCN(Cc2cccc(F)c2)CC1)c1ccc2c(c1)CCN2 13737841 HJLYQXGLGFBWQI-UHFFFAOYSA-N 366.480 4.669 0 1 FJAF Oc1cccc2c1CCC[C@H]2CCCN1CCN(C2CCCCC2)CC1 22931141 UDBYCFZOJXFYCB-IBGZPJMESA-N 356.554 4.543 0 1 FJAF O=C1c2cccc3cccc(c23)C1(Cc1ccncc1)Cc1ccncc1 27902837 XXPZNZGVZDPGAH-UHFFFAOYSA-N 350.421 4.549 0 1 FJAF COc1cc(OC)cc(-c2cn(-c3ccc(Oc4ccccc4)cc3)nn2)c1 28566388 JMAMFRASWCSKIA-UHFFFAOYSA-N 373.412 4.744 0 1 FJAF CCOC(=O)c1[nH]cc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1 29124177 SNGAKQKRQCUQKH-UHFFFAOYSA-N 351.402 4.543 0 1 FJAF CC(C)(C)c1c/c(=N\C(=O)c2cccc(C(F)(F)F)c2)n(CC2CC2)o1 29124861 CKGNKIZINTXVRF-XQNSMLJCSA-N 366.383 4.549 0 1 FJAF CC(C)(C)n1nc(-c2cccc(Oc3ccccc3)c2)c2c(N)ncnc21 33998378 NTGMTNATAQBLTO-UHFFFAOYSA-N 359.433 4.623 0 1 FJAF O=C(O)c1c(O)c(-c2ccc(-c3ccc(O)cc3)cc2)nc2ccccc12 34803335 QEZUHXPMXMABCD-UHFFFAOYSA-N 357.365 4.678 0 1 FJAF CC(=O)Oc1ccc(-c2ccc(F)cc2F)cc1C(=O)NC1CCCCC1 40895168 VGRAQQUQOKUPLU-UHFFFAOYSA-N 373.399 4.620 0 1 FJAF CN(C)CCOc1ccc(-c2cncc(-c3cc4ccccc4[nH]3)c2)cc1 40916065 DECMWHQXYQZUAP-UHFFFAOYSA-N 357.457 4.837 0 1 FJAF CC1(C)Nc2c(cc(-c3ccnc4ncccc34)c3c2CCC3)C(C)(C)C1=O 43197409 FTBHWGQLEZPPMF-UHFFFAOYSA-N 371.484 4.836 0 1 FJAF COc1ccc(-c2cnc3c(-c4ccc5ccncc5c4)cnn3c2)cc1 96927006 LFPDWFKLUGPIFU-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF Fc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)cc1F 140836646 OEKGZWOFDJHUBL-UHFFFAOYSA-N 354.404 4.510 0 1 FJAF Cc1cc(Br)cc2nc(-c3cccc4c3OCC4(C)C)[nH]c12 586911689 KZXTXZADIRWVDE-UHFFFAOYSA-N 357.251 4.971 0 1 FJAF Clc1c[nH]c2nc(Cc3ccc(-c4ccccc4Cl)cc3)nc-2n1 587063563 WPXLMJUHQCGKKK-UHFFFAOYSA-N 355.228 4.869 0 1 FJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4ccccc4[nH]3)c(F)c2)c1 587138657 POJQTEFFWWSUPB-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF Cc1ccc(/C=C/c2nc3[nH]c(Cl)nc(C(F)(F)F)c-3n2)cc1F 587146474 MXJDFGKIYWHOBT-SNAWJCMRSA-N 356.710 4.595 0 1 FJAF Nc1cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)c2ccccc2c1 587251571 JJUTVHXFJZPICI-UHFFFAOYSA-N 373.641 4.776 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc(-c3ccc(F)cc3)cs1)O2 587384740 OBGIERFMRYGIHN-QGZVFWFLSA-N 354.406 4.546 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3ncc(Cl)cc13)CC2=O 587462417 OOSJFSJTISCJLV-KRWDZBQOSA-N 356.809 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1-n1cccn1)CC2=O 587481037 XLTMBNHZUKPRAE-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF Cc1cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c(F)cc1F 587558175 QYXOQFRQXJSIDR-RXVVDRJESA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cccc(F)c1Cl 587558470 SKWBURNWNOOEOK-UZLBHIALSA-N 370.763 4.888 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1 587564637 NLKZNQYNNVHKHF-UHFFFAOYSA-N 356.397 4.667 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1-c1ccc(C2CC2)nn1 587865993 SATVFHAWGXBPCU-UHFFFAOYSA-N 374.366 4.624 0 1 FJAF FC(F)(F)c1ncc2nc(Cc3cccc(-c4ccccc4)c3)nc-2[nH]1 587961161 KAYONAQPBXKATN-UHFFFAOYSA-N 354.335 4.581 0 1 FJAF C[C@H]1C(=O)CC[C@H]1Cc1nc2cc(C(F)(F)F)cc(C(F)(F)F)c2[nH]1 587961424 FTFNFLJHAOMSKW-SFYZADRCSA-N 364.289 4.758 0 1 FJAF COc1cccc2[nH]ccc(=Nc3ccnc(-c4cc(C)ccc4F)c3)c12 1772584572 UYQRPMUFNIYIDR-UHFFFAOYSA-N 359.404 4.918 0 1 FJAF Cc1cc(F)ccc1-c1cnc(N)c(C(=O)Nc2c(C)cccc2Cl)c1 1857563442 MZQHWMLBRVWVOA-UHFFFAOYSA-N 369.827 4.992 0 1 FJAF Cc1ccc(Nc2ccc3c(c2)[C@@H](Cc2ccc4c(c2)OCO4)C(=O)N3)cc1 1857583471 XUYVHYIAOQDACN-LJQANCHMSA-N 372.424 4.746 0 1 FJAF Clc1cccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)c1 95569048 FWCNXQLOVXPNKX-UHFFFAOYSA-N 373.847 4.866 0 3 FJAF COc1ccc2c(c1)[C@H](CCNC(=O)C1CCC1)C[C@H](c1ccccc1)C2 1491935 CHNMYFQAXCNAFN-NHCUHLMSSA-N 363.501 4.815 0 1 FJAF c1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@@H](c2ccccc2)C3)cc1 40791332 YXXLFRSJUIWSJG-KFULVZMISA-N 360.545 4.934 0 1 FJAF O=C(Nc1cccc(C(F)(F)F)n1)Nc1ccnc2cc(Cl)ccc12 63540294 JUTMUSMWCYHBGU-UHFFFAOYSA-N 366.730 4.946 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@H]2c1ccc(F)cc1 104056372 NVBLATJGJNJOKU-CQSZACIVSA-N 371.437 4.647 0 1 FJAF c1cc(C2=NC3(CCCCC3)CO2)ccc1O[C@H]1C[C@H](N2CCCCC2)C1 169330204 PTNZQYZEFFGEON-TYKWCNGQSA-N 368.521 4.562 0 1 FJAF Nc1nc2cc3ccccc3c-2c(Nc2cccc(Br)c2)[nH]1 169727973 QJMMZBGZDJNKAE-UHFFFAOYSA-N 353.223 4.756 0 1 FJAF Nc1ccc(F)c(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c1 586986568 NFVFADKADYRYLX-UHFFFAOYSA-N 356.356 4.540 0 1 FJAF Nc1ncnc2[nH]c(-c3ccc(Cl)c(-c4ccc(Cl)cc4)c3)nc12 587048459 WEAALARVVKEQIF-UHFFFAOYSA-N 356.216 4.576 0 1 FJAF Cc1ccc2c3c(c4c(nc13)[C@H](C)C[C@H](C(=O)O)C4)-c1ccccc1C2=O 587100564 CXZXPKROAHIXKT-OLZOCXBDSA-N 357.409 4.505 0 1 FJAF COc1cc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2cc1OC 587111263 BUEBAQPONOZVCU-UHFFFAOYSA-N 373.334 4.814 0 1 FJAF CSc1ccc2nc([C@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167250 JJFLORWGYYELEZ-QGZVFWFLSA-N 370.453 4.793 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2c(Cl)cnc(Cl)c2[nH]1 587229104 OIYZJCXAFJPPDB-UHFFFAOYSA-N 365.264 4.626 0 1 FJAF C[C@]1(Cc2ccsc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587372648 FSZDCBNBXFTSNC-PZJWPPBQSA-N 368.429 4.953 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCCOc3c(C(C)C)cccc31)O2 587412336 NHEUCFZWJBHYJG-QFIPXVFZSA-N 351.446 4.734 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1c(Cl)ccnc1Cl)CC2=O 587459653 FDXAWVCOZUVJHL-SFHVURJKSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccc(C)c3nc1O)CC2=O 587487154 DMZSPKZQNJYVQB-LJQANCHMSA-N 363.413 4.613 0 1 FJAF COc1cccc([C@@H](C)Cc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 587930024 FOJHEQHYWHQALP-NSHDSACASA-N 350.340 4.816 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)c1 587931457 JEGALCFTZPGTHA-UHFFFAOYSA-N 365.820 4.968 0 1 FJAF COc1cc2c(cc1OC)[C@@](C)([C@@]13C[C@@H]4C[C@H]1C[C@@H](C4)C3)N(C)[C@@H](C)C2 962565744 INPGWVVWFYDRLJ-IXPVLQFTSA-N 355.522 4.622 0 1 FJAF O=C(Nc1ccc(F)cc1-c1ccccc1Cl)OCC1CCNCC1 1911584877 SWCMGAVLLBRPAS-UHFFFAOYSA-N 362.832 4.694 0 1 FJAF CCCCC[C@H](O)C=C[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)OC 2356732566 ITRBVGLWLFOKTQ-CEXWTWQISA-N 352.515 4.593 0 1 FJAF O[C@H](c1ccc(Cl)cc1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61905862 QOOCNGXZRIBJQH-OAHLLOKOSA-N 352.743 4.831 0 3 FJAF CN(Cc1ccc(F)cc1)c1ccc2c(-c3ccccc3F)noc2n1 206055881 CESXPWMSWPGOQJ-UHFFFAOYSA-N 351.356 4.804 0 3 FJAF CSc1ccccc1N1C(=O)N[C@@H]2C[C@]1(C)Oc1ccc(Cl)cc12 2468496 LEYWSAVZBHNGAB-ACJLOTCBSA-N 360.866 4.832 0 1 FJAF C[C@H]1Cn2c(C(=O)N[C@H](C)c3ccccc3)cc3c(Cl)ccc(c32)O1 6750820 WJDFYRZAAURMQL-QWHCGFSZSA-N 354.837 4.567 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ccncc2c1 13761449 GWMATYYYZBEZOW-FQEVSTJZSA-N 360.501 4.838 0 1 FJAF C=C=CS(=O)(=O)[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]32)C1 28015698 HRSXVEFTZAQPAV-RVEDGADZSA-N 374.546 4.600 0 1 FJAF O=[S@@](CCC(F)(F)F)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 28220390 NEIXCEZBNRYZQK-RUZDIDTESA-N 364.392 4.804 0 1 FJAF CN(C)C[C@H]1C[C@H]2c3ccccc3Oc3ccc(Br)cc3[C@H]2O1 28523812 FXHLGRYCQSRFHY-WTANOLMUSA-N 374.278 4.730 0 1 FJAF CSc1ccccc1CNc1ncnn1-c1cccc(Cl)c1Cl 29126253 XBVDJYWBXRWSOA-UHFFFAOYSA-N 365.289 4.908 0 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COc1cc2c3c(c1)O[C@H](c1cc(Cl)ccc1OCC1CC1)[C@@H](C2)C3=O 587421158 TYLSFANODPBZOV-HRAATJIYSA-N 370.832 4.626 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1nc(-c4cccc(C)c4)cs1)[C@@H](C2)C3=O 587451993 PROQSWBSMWSYEC-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(N3CCCC3)c1)CC2=O 587467383 QTAHPONJNHXMRI-OAQYLSRUSA-N 369.436 4.791 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(C=C(C)Oc3ccc(F)cc31)CC2=O 587471174 JFCNXQBLNSNNCQ-OAQYLSRUSA-N 354.377 4.641 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)cc(C)c(C=O)c1C)CC2=O 587488142 ICRSGMKMTOUYOK-HSZRJFAPSA-N 366.457 4.963 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1)(c1ccccn1)CC2=O 587491466 SLYWFDDIXJLMRF-QHCPKHFHSA-N 359.425 4.649 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCO[C@H](c3ccccc3)C1)CC2=O 587494106 XAVLVEKYHWXUNY-RBBKRZOGSA-N 352.430 4.600 0 1 FJAF Cc1cc(C)n([C@H]2CCC[C@]3(CC(=O)c4ccc5c(c4O3)CCCC5)C2)n1 587515673 OAKWAVNPWLGRRA-FDDCHVKYSA-N 364.489 4.898 0 1 FJAF CCCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(O)c1 587522106 KCLCRFNMGIWLJV-NRFANRHFSA-N 352.430 4.766 0 1 FJAF CCn1cc(-c2[nH]c3ccc(F)c(Cl)c3c2C(=O)C(F)(F)F)c(C)n1 587629877 MCELJVULBICTFD-UHFFFAOYSA-N 373.737 4.897 0 1 FJAF COCCc1c([C@H](C)NC(=O)OC(C)(C)C)[nH]c2cc(Cl)c(F)cc12 587631866 XZOULKDCIJAVHG-JTQLQIEISA-N 370.852 4.735 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(CCC(C(F)F)CC2)N1 587713999 DRNCFJPYYBDRQI-CYWKSYIRSA-N 362.233 4.773 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc(F)c2)N1 587734217 UIWQXMRVGICOLE-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF COC(=O)[C@H]1C[C@H]1c1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)cc1 587788015 YWPDOPVFVVCWAZ-RYUDHWBXSA-N 361.228 4.813 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C1CCCC2CCC1 587816707 BUXLWUHOXRXAHR-URFDXJLMSA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H]2C[C@@H]2c2ccccc2)N1 587822136 IZOONKPSPUWBJM-MKQDBYMYSA-N 360.270 4.967 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1CCc1ccncc1 587866336 YKGGGRINHRJXSF-UHFFFAOYSA-N 361.367 4.605 0 1 FJAF COC(=O)c1cccc(F)c1[C@@H]1NCCc2cc(-c3ccccc3)ccc21 962665117 JBZNMCDLOYQSJA-JOCHJYFZSA-N 361.416 4.514 0 1 FJAF Oc1ccc2c(c1)[C@@](c1ccnc(Cl)c1)(C1CCCCCC1)NCC2 963329766 SUVXJKSISPLTQH-NRFANRHFSA-N 356.897 4.800 0 1 FJAF CCCCC[C@H](O)CC(=O)CCc1ccc(OCC=C(C)C)c(OC)c1 1772655692 XTDSTOFIWVREAP-IBGZPJMESA-N 362.510 4.873 0 1 FJAF CO[C@@H](COc1cccc2[nH]ccc12)CN(CC1CCCC1)C(C)(C)C 2382220671 USQIQVXSJBTPDY-GOSISDBHSA-N 358.526 4.852 0 1 FJAF O=C1c2c(nc3ccccc3c2-c2ccccc2)CN1Nc1ccccc1 1630688 DUMZERJISHELHI-UHFFFAOYSA-N 351.409 4.885 0 1 FJAF COc1cc(OC)c(-c2ccc(O)c3ccccc23)c2c1CNC(C)(C)C2 42887327 HINNHOVESZQNMS-UHFFFAOYSA-N 363.457 4.654 0 1 FJAF Cc1cc(C)n(Cc2ccc(C(=O)NC3CCC(C(C)(C)C)CC3)cc2)n1 84687335 FTVIXQMIZDGWRL-UHFFFAOYSA-N 367.537 4.883 0 1 FJAF O=C(CNCc1ccc(-c2ccccc2)cc1)N[C@@H]1CCCc2ccccc21 200150312 RQSIMUZBXFSTPV-XMMPIXPASA-N 370.496 4.637 0 1 FJAF COc1cc(/C=C/c2ccccc2F)c(C(=O)O)c(O)c1CC=C(C)C 473087910 MFKZKBCPPHOYBX-MDZDMXLPSA-N 356.393 4.917 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(C)cc(Br)c3[nH]2)cc1 586885898 DJSXKHDSCXPHHF-SJCJKPOMSA-N 359.267 4.779 0 1 FJAF O=Cc1ccccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586991522 NXZHQALXGLMMIZ-UHFFFAOYSA-N 351.361 4.631 0 1 FJAF COc1cc2nc(-c3cc(-c4cccc(C=O)c4)ccc3Cl)[nH]c2cn1 587048619 CYCXKGRKERPSLO-UHFFFAOYSA-N 363.804 4.766 0 1 FJAF Cc1ccc2c3c(cc(CC(=O)c4ccncc4)nc13)-c1ccccc1C2=O 587098444 YAQKWGFPZWGVCB-UHFFFAOYSA-N 364.404 4.575 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC[C@]1(CCCO1)C4)-c1ccccc1C2=O 587100884 AWFVQWZGACCFKK-XMMPIXPASA-N 355.437 4.793 0 1 FJAF O=C(/C=C\c1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1ccc(F)cc1 587167836 YAGOXOIBOVIRIJ-WAYWQWQTSA-N 350.180 4.661 0 1 FJAF Nc1ccc(-c2ccc3nc(-c4ccc5ccccc5c4N)[nH]c3c2)cc1N 587254233 XGMRHGKJEUMUDQ-UHFFFAOYSA-N 365.440 4.797 0 1 FJAF CO[C@H](c1ccccc1)[C@]1(c2ccccc2)CC(=O)c2cc(C)cc(N)c2O1 587399963 LEILZVZIXHSJPD-DNQXCXABSA-N 373.452 4.826 0 1 FJAF COc1cccc(-c2cccc([C@@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)c2)c1 587440957 DKMFUIPVQIIZBJ-YKSBVNFPSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(F)ccc1OCC1CC1)CC2=O 587465713 GFBQNXBSPAFQOY-OAQYLSRUSA-N 370.420 4.979 0 1 FJAF C[C@H](C[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3)NC(=O)OC(C)(C)C 587510203 GCWPYGYDUCVPFN-JLCFBVMHSA-N 373.493 4.593 0 1 FJAF COc1cc(CC[C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)ccc1O 587521405 BZSJCZYSDGOISV-QHCPKHFHSA-N 366.457 4.636 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1 587564644 NOZHUAFYJBVONC-UHFFFAOYSA-N 365.477 4.531 0 1 FJAF CCc1ccc2c(c1)CC[C@@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603348 MIVOGZDSXFDDFP-ZJSXRUAMSA-N 372.420 4.758 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3ccc(F)cc3)c(C(=O)C(=O)OC)c2c1 587640081 BNKYUUNZCIGMCD-GFCCVEGCSA-N 353.393 4.843 0 1 FJAF Cc1ccc2c(c1C)[C@@]1(CC2)N[C@H](C)Cc2cc(Br)c(F)cc21 587816601 AZJVPXBYQHIBCR-ODXCJYRJSA-N 374.297 4.929 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2=Cc3ccccc3OC2)N1 587836475 VQHSZVKEKVOEFH-WLRWDXFRSA-N 374.253 4.640 0 1 FJAF COc1cccc(F)c1-c1cccc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772581844 WXTJBKAAZWIABZ-OAHLLOKOSA-N 371.433 4.873 0 1 FJAF Oc1ccc(-c2cc(-c3ccccc3O)c3c(n2)-c2ccccc2[C@H]3O)cc1 1857748732 GOLAPMFXAAIBKF-XMMPIXPASA-N 367.404 4.889 0 1 FJAF COc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 61925831 BERXNKZKGGHPBQ-INIZCTEOSA-N 365.376 4.919 0 3 FJAF FC(F)(F)Oc1cccc(Oc2ccc3c(-c4ccccn4)noc3n2)c1 205223430 RVTGUEZCDQDDKG-UHFFFAOYSA-N 373.290 4.976 0 3 FJAF Cc1c(/C=C/c2oc3ccc(C(=N)N)cc3c2C)oc2ccc(C(=N)N)cc12 1995718 IBZTUOSPWNWKMA-BQYQJAHWSA-N 372.428 4.534 0 1 FJAF CN(C)Cc1cc(Br)ccc1OCc1ccc(Cl)cc1 28821974 GNJMHFOKSMUCQM-UHFFFAOYSA-N 354.675 4.743 0 1 FJAF CCN(CC)CCOc1cc(OC)ccc1-c1cc(-c2ccccc2)no1 71296132 MRIBFGUNSNBFDO-UHFFFAOYSA-N 366.461 4.738 0 1 FJAF CCCCN(CCCC)CCNC(=O)c1csc(Nc2ccccc2)n1 82086361 OJFFNNLZHZSCGO-UHFFFAOYSA-N 374.554 4.519 0 1 FJAF O=C(CCc1ccccc1)Nc1cc(COCc2ccc(F)cc2)ccn1 95588711 PUWUSQHJSRRILK-UHFFFAOYSA-N 364.420 4.509 0 1 FJAF COc1ccc(C[C@@H]2C[C@H](Cc3ccc(OC)cc3)[C@@H]3CC[C@@H]2N3C)cc1 101027923 GVXUWMUJULZCIL-KZTDQWPFSA-N 365.517 4.588 0 1 FJAF CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@H]1C[C@@H]2CC[C@H](C1)N2C 101060967 JSMMTOCSBNIMIR-WKCHPHFGSA-N 356.460 4.611 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@@H](c2ccccc2F)C2=C(O)CCCC2=N1 103539614 KYKYIDVQSVOGFU-HXUWFJFHSA-N 368.452 4.646 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc2c1 586916119 VKCOXLNFICADRE-UHFFFAOYSA-N 362.360 4.779 0 1 FJAF Fc1cc(Br)cc2nc([C@H]3SCCc4sccc43)[nH]c12 587036633 HWXCCZUNKBVBPM-ZDUSSCGKSA-N 369.284 4.905 0 1 FJAF COC(=O)c1ccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587048051 FVZIZCQNWOHEHO-GHMZBOCLSA-N 361.228 4.927 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2ccc(C(C)(C)C)cc2[nH]1 587064613 DGGMAMZZZIMKHB-UHFFFAOYSA-N 372.852 4.914 0 1 FJAF OCc1ccc2nc([C@@H](Oc3ccc(F)c(F)c3)c3ccccc3)[nH]c2c1 587151072 PPCIATZENPOPJS-FQEVSTJZSA-N 366.367 4.502 0 1 FJAF C[C@@H](CC(=O)c1c(CO)oc2cc(Br)cnc12)CC(C)(C)C 587272787 BOGWUNFLDCPDRQ-JTQLQIEISA-N 368.271 4.728 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCC[C@@H](n3nc(C)cc3C)C1)CC2=O 587476152 PPFWMULTOUBRIP-ZHRRBRCNSA-N 368.477 4.677 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(CC)c(O)c(CC)c1)CC2=O 587489014 MBFQMQYLAOKKHI-FQEVSTJZSA-N 354.446 4.882 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587565127 XJJVTPNTZQUWPC-IBGZPJMESA-N 352.438 4.553 0 1 FJAF C[C@H](Cc1ccccc1)[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602218 XIOFWUNTZBRZAO-FBJLLXQBSA-N 374.436 4.991 0 1 FJAF CC(C)c1cnc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587611334 HZYOPNXIPVAYDT-LPHOPBHVSA-N 367.426 4.675 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3c(Cl)ncnc3[nH]2)c1 587779690 DBVNRAGWAIUDRT-UHFFFAOYSA-N 350.809 4.739 0 1 FJAF CC[C@]1(Cc2ccccc2)N[C@H](C)Cc2ccc(F)c(Br)c21 587811828 HTXMIZDCNJDNPD-BFUOFWGJSA-N 362.286 4.970 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(/C=C/c2ccco2)N1 587830009 SBPXAIGVKNROJQ-ZLJOVENESA-N 350.231 4.644 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(CSC(C)(C)C)N1 587840846 NEGKVVKIXKVCSM-HWPZZCPQSA-N 360.336 4.869 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](c2nc3ccccc3n2C)(C2CC2)N1 962944272 HLXICBCKOYQHNJ-UPCLLVRISA-N 370.500 4.633 0 1 FJAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963103415 LBLRKFKTEOHWLS-HJBWUJCXSA-N 364.508 4.584 0 1 FJAF CC(=O)N[C@H](c1cccc(F)c1)c1nc(/C=C/c2ccccc2)cs1 61930473 ADLLROOGIYXEMV-GNISGLHKSA-N 352.434 4.678 0 3 FJAF COc1cc(N[C@H](C)CCCN)c2ncccc2c1Oc1ccc(F)cc1 5141696 QTXLEODRGPCXHU-CQSZACIVSA-N 369.440 4.714 0 1 FJAF CCC[C@@H](CC)C(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc21 26576231 UMCMCYKHVWJOKE-QRWLVFNGSA-N 366.461 4.870 0 1 FJAF Cc1ccc(NC(=O)CC2CCCCC2)cc1NC(=O)c1ccc(O)cc1 26998039 KFEXBTSBCMIDPL-UHFFFAOYSA-N 366.461 4.862 0 1 FJAF CN(C)CCCNc1ccc(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cc1 64549573 ZRXYICKCMRZHBU-WOJBJXKFSA-N 356.897 4.690 0 1 FJAF CCCCOCCCNc1cc(-c2ccccc2C(F)(F)F)ncn1 82160718 JHUDYQRSENSEAH-UHFFFAOYSA-N 353.388 4.781 0 1 FJAF O=C(c1ccc(Cl)cc1Cl)N1CCn2c(-c3ccccc3)cnc2C1 95565722 FHZPCXAMKVFUTC-UHFFFAOYSA-N 372.255 4.513 0 1 FJAF Cc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccc(Br)cc12 101092391 RULCJZUKJLZDCP-KBXCAEBGSA-N 373.250 4.527 0 1 FJAF Nc1ccccc1/C=C/c1cc(Br)c(O)c(Br)c1 139424665 IRAFEMSCANIETE-AATRIKPKSA-N 369.056 4.670 0 1 FJAF CN1CCc2c(c3cc(Cl)ccc3n2C(=O)c2ccc(Cl)cc2)C1 169350483 UYQFZPYBYWQBDL-UHFFFAOYSA-N 359.256 4.625 0 1 FJAF COc1ccc(Oc2cc(NC[C@@H]3CC[C@H]4C[C@H]3C4(C)C)ncn2)cc1 299883411 RINBHRNIRDMPQP-RLFYNMQTSA-N 353.466 4.762 0 1 FJAF Cc1ccc(-n2cnnc2SCc2nc3ccc(F)cc3[nH]2)cc1Cl 586967747 FFGNVOQCLXFGCZ-UHFFFAOYSA-N 373.844 4.537 0 1 FJAF CC(=O)c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2c1 587075205 GSFHZNRYWRQSNE-UHFFFAOYSA-N 350.809 4.580 0 1 FJAF Nc1ccnc2[nH]c([C@@H](Oc3ccc(F)cc3Cl)c3ccccc3)nc12 587159857 WKLKHWIVWGWTAW-KRWDZBQOSA-N 368.799 4.501 0 1 FJAF CC(C)(C)c1ccc2nc([C@@]3(C)Cc4ccc(F)cc4C(=O)O3)[nH]c2c1 587173262 AUAFXHPGZRZFNQ-OAQYLSRUSA-N 352.409 4.628 0 1 FJAF COC(=O)[C@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362284 IOODRYMYPKNJHE-INIZCTEOSA-N 373.408 4.859 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)CC[C@H](C(=O)O)C3)c1 587367373 WJZCPWKNMHPWLX-AWEZNQCLSA-N 373.408 4.846 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccccc1)(c1ccc(F)cc1F)O2 587384103 AGVIXMCVLLWOCO-JOCHJYFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)([C@H](C)c1nc3ccccc3s1)O2 587415823 YNVUJSLEYRYCQX-ODXCJYRJSA-N 352.459 4.715 0 1 FJAF COc1ccc2c(c1)OCCC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587536448 TXBGNWZBOANXSH-QHCPKHFHSA-N 364.441 4.607 0 1 FJAF O=C1COc2ccc(/C=C(\c3ccccc3)c3ccc(F)cc3F)cc2N1 653727974 DYAWCTLGJUXTGK-VCHYOVAHSA-N 363.363 4.885 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3ncn(C)c3c2)n1 653758399 TUGCBWPBCBHEIN-LJQANCHMSA-N 369.472 4.828 0 1 FJAF FCCn1cc([C@@H]2c3c(F)cccc3C[C@@H]3CCCN32)c2ccccc21 963098753 JCCWBMYJMPXMMP-KSFYIVLOSA-N 352.428 4.860 0 1 FJAF Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2nc(C3CC3)n(C)c12 1772634158 QNBJGCLVDFUBMZ-UHFFFAOYSA-N 361.449 4.729 0 1 FJAF O=C(Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1)NC1CCCCC1 1857619588 DMCOZKPSGFKLHX-UHFFFAOYSA-N 367.468 4.843 0 1 FJAF CO[C@H]1OC(=O)c2ccc([C@@]3(C)CCCC(C)(C)C3)c([C@@H](C)C(=O)O)c21 1911580942 SPCGZOBIOPSFNH-SIJSFFJVSA-N 360.450 4.548 0 1 FJAF CC[C@H](C)[C@@H]1O[C@H](c2c(O)c(-c3ccccc3)cn(O)c2=O)[C@@H](C)C[C@@H]1C 2356480632 KMGDCJDRYJVZCA-UXPLJFLFSA-N 371.477 4.607 0 1 FJAF COc1ccc2c(c1C=CC(C)(C)OC)O[C@@H](c1ccccc1)CC2=O 2356562531 VGCABPVIACQUCY-HXUWFJFHSA-N 352.430 4.840 0 1 FJAF Clc1cc(Cl)cc(COCC2(c3ccccc3)CCNCC2)c1 837083 OZUBKKRURPSIKW-UHFFFAOYSA-N 350.289 4.831 0 1 FJAF O=C(Nc1nnc(Sc2nc3ccccc3s2)s1)c1ccccc1 13479499 FLMLLRYGZRQBGX-UHFFFAOYSA-N 370.484 4.551 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)C1=CC=C2C1=CC(=O)OC1 16041986 WKSLITSQKVNEJV-DKUXLHAASA-N 352.474 4.538 0 1 FJAF biogenic CNC(=O)c1cccc2c1[C@@H](NC)CC[C@H]2c1ccc(Cl)c(Cl)c1 28571361 TUDVVMCZTNBXMS-SJCJKPOMSA-N 363.288 4.539 0 1 FJAF O=C(c1c(OCCC2CCCCC2)oc(=O)c2ccccc12)C(F)(F)F 40835995 LCBCAJZXDOCRTC-UHFFFAOYSA-N 368.351 4.887 0 1 FJAF CN(C)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 66166828 PLWWHADGKMJVJN-UHFFFAOYSA-N 371.484 4.568 0 1 FJAF O=C1CCc2cc(-c3cncc(-c4cc(F)ccc4F)c3)cc3c2N1CC3 71329098 AEPZBDRKCCYBHK-UHFFFAOYSA-N 362.379 4.529 0 1 FJAF CCCCCNc1ncnc2c1nc(-c1cccc(O)c1)n2C[C@H](C)CC 82186231 JUVVJSIULFLLDF-OAHLLOKOSA-N 367.497 4.847 0 1 FJAF CC(=O)NC[C@]1(C)CCC[C@]2(C)c3cc([N+](=O)[O-])c(C(C)C)cc3CC[C@H]21 143865397 TZBAKJIIHBIAOZ-FDFHNCONSA-N 372.509 4.865 0 1 FJAF COc1ccc([C@H]2CC(=O)[C@@H]3Sc4cc(F)ccc4N=C3C2)cc1OC 169715439 LFGRCLMOFIJXRX-MPBGBICISA-N 371.433 4.536 0 1 FJAF O=C(O)c1cccc2nc(-c3csc(-c4ccc(Cl)cc4)n3)[nH]c12 587016277 TZMFXRPEAKQSMO-UHFFFAOYSA-N 355.806 4.705 0 1 FJAF Fc1cnc2[nH]c(CCN3c4ccccc4Sc4ccccc43)nc2c1 587039737 IQPKVNQJRUIUPY-UHFFFAOYSA-N 362.433 4.942 0 1 FJAF FC1(F)Oc2cc3nc(-c4cc(Cl)nc5ccccc45)[nH]c3cc2O1 587085624 XHIOOEKXFNEQHR-UHFFFAOYSA-N 359.719 4.753 0 1 FJAF Cc1cncc2nc(CSCc3cccc(OC(F)(F)F)c3)[nH]c12 587121730 FEYNMJWVVXCBTJ-UHFFFAOYSA-N 353.369 4.598 0 1 FJAF C[C@@H](C(=O)O)c1ccc(C[C@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587216103 ZLTWNBPNYSDOIG-RDTXWAMCSA-N 357.453 4.794 0 1 FJAF Nc1cc(C(=O)O)cc(-c2nc3ccc(Sc4ccccc4)cc3[nH]2)c1 587252165 XVGQWVLMVKBXLX-UHFFFAOYSA-N 361.426 4.662 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccccc1N(C)C(C)C)CC2=O 587469949 QRYLHKPIVPMWFB-OAQYLSRUSA-N 353.462 4.896 0 1 FJAF Cc1c(Br)cncc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587499769 VCTFGGNOGGXCAT-GOSISDBHSA-N 372.262 4.738 0 1 FJAF Cc1cc(F)ccc1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587569292 PVENIOQLDPASHT-RXVVDRJESA-N 350.345 4.543 0 1 FJAF Cc1ccccc1C[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602360 JNGWUNXMBHCKIW-NFBKMPQASA-N 360.409 4.664 0 1 FJAF COC(=O)Cc1[nH]c2cc(F)ccc2c1-c1cccc(C(F)(F)F)c1 587633470 CZFOGRMQSVQCLG-UHFFFAOYSA-N 351.299 4.708 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=CC=CC=C2Cl)N1 587704887 KXNNMYDSIVBFSC-MGPLVRAMSA-N 354.650 4.566 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc3ccncc3c2)N1 587776961 FHVZQUBLRGRTKA-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3o2)N1 587835066 UNRFZFZCUYYUHQ-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CCCc1csc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)n1 587851215 HQGOMEHSIARVSY-BJOHPYRUSA-N 369.303 4.621 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@H](C)C1)c1nc2ccnc(Br)c2[nH]1 587952474 RQJWDBHHYNIVTC-LOWVWBTDSA-N 352.276 4.767 0 1 FJAF Brc1nccc2nc(Cc3ccccc3-c3ccccc3)[nH]c12 587959411 QWLLCRKNOZSQRL-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF CN(C(=O)c1ccc(Cl)cc1)[C@@H](CN1CCCCC1)c1ccccc1 621431390 AULDFYADKFULRB-FQEVSTJZSA-N 356.897 4.639 0 1 FJAF CCC=C(/C=C/c1ccc(OC)c(N)c1)c1cc(OC)c(OC)c(OC)c1 1857628617 CTUXHJXJVGZLQK-VSPUUYQMSA-N 369.461 4.810 0 1 FJAF O=C(c1cccc2ccccc12)c1ccc(OCCCO)c2ccccc12 1857632733 ICCBFBOJAMDVGY-UHFFFAOYSA-N 356.421 4.985 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@@H]2Cc3occ(C)c3[C@H](OC(C)=O)[C@@]2(C)[C@H]1C 2356643229 LJMVPNYZXHUHTL-WEFHHRQASA-N 374.477 4.679 0 1 FJAF CC(=O)OCc1cc(O)c2c(c1)[C@H]([C@@H](C)CCC=C(C)CO)CC[C@@H]2C 2356855056 QYVRGBDFTMKFCS-BXWFABGCSA-N 360.494 4.791 0 1 FJAF CC(C)n1cnc2c(NCc3ccccc3)nc(NCc3ccccc3)nc21 13108545 HLIBKNKTKXMTBG-UHFFFAOYSA-N 372.476 4.631 0 3 FJAF CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1Nc1ccccc1F 2493637 MALMYPRCZIHLEB-UHFFFAOYSA-N 374.799 4.956 0 1 FJAF CC(C)(C)c1cc(NC(=O)N[C@H]2CCc3ccccc32)n(-c2ccccc2)n1 13474654 DPSYCGMSLWKDDR-IBGZPJMESA-N 374.488 4.979 0 1 FJAF COc1cc2nc(Nc3c(C)cccc3Cl)c3cncn3c2cc1OC 13582006 LSAGKYBLDIDLBP-UHFFFAOYSA-N 368.824 4.605 0 1 FJAF CN(C)CC[C@H](OC(=O)c1cc2ccccc2n1C)c1ccc(Cl)cc1 13684979 BMAXKTGAPQGADW-FQEVSTJZSA-N 370.880 4.682 0 1 FJAF Cc1ccc(O)cc1Nc1ccnc2cc(-c3csc(C=O)n3)ccc12 16052770 VKQPTVJDZIILPG-UHFFFAOYSA-N 361.426 4.928 0 1 FJAF in-vivo O=C(Cc1ccc2ccccc2c1)c1ccccc1C(=O)N1CCCCC1 40565128 KOMWKFOYOJPICY-UHFFFAOYSA-N 357.453 4.891 0 1 FJAF COc1cccc(CCOC(=S)Nc2ccc(Cl)c(Cl)c2)c1 40828752 UIZJELJBUICLQG-UHFFFAOYSA-N 356.274 4.958 0 1 FJAF O=C(N1CCC2(C=Cc3ccccc32)CC1)C1(c2ccc(Cl)cc2)CC1 43120445 JSKAMOBWWOZGES-UHFFFAOYSA-N 363.888 4.959 0 1 FJAF Cc1ccccc1CCn1cc(-c2ccc(-c3ccc(N)cc3)cc2)nn1 66113149 MVIUPWZTNZFDLX-UHFFFAOYSA-N 354.457 4.745 0 1 FJAF CN1CCC[C@H]1CCn1ccc2cc(NC(=N)c3cccs3)ccc21 72105057 PRVOGTVRVMVUHG-KRWDZBQOSA-N 352.507 4.625 0 1 FJAF CC(=O)NCCCCN1c2ccccc2Sc2cc3ccccc3nc21 96905665 YEPQNOCRNDZGMY-UHFFFAOYSA-N 363.486 4.754 0 1 FJAF C[C@@H](C(=O)Nc1ccc([C@@H]2CCNC2)cc1)c1cccc(C(F)(F)F)c1 117736355 OTJIZLKGGQWOTK-CZUORRHYSA-N 362.395 4.525 0 1 FJAF CCN(CC)CCCN1CC[C@H]2c3ccccc3[C@@H](c3ccccc3)[C@H]2C1 169318093 JIKFJGUECRHRBQ-ZKMPZPQNSA-N 362.561 4.970 0 1 FJAF CCOC(=O)c1c(CSc2cc(C)cc(C)c2)n(C)c2ccc(O)cc12 169345893 UQLRXWQGNJKVHB-UHFFFAOYSA-N 369.486 4.970 0 1 FJAF CCCCSc1nc([C@H](CC)c2c(F)cccc2F)c(C)c(=O)[nH]1 169352538 YAHAIXLFRPRKPX-GFCCVEGCSA-N 352.450 4.791 0 1 FJAF COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2c2nc(O)cs2)cc1 169726249 ZIADXVILFQFNRQ-GOSISDBHSA-N 365.458 4.521 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cccc(C(F)(F)F)c2[nH]1 586918410 YJKIGGRLOAADJY-IFXJQAMLSA-N 374.362 4.798 0 1 FJAF CC(C)(Cl)c1nc2cc(Br)cc(OC(F)(F)F)c2[nH]1 587007096 BGOSPUIQSFSUNI-UHFFFAOYSA-N 357.557 4.698 0 1 FJAF CCC[C@H](NC(=O)c1cc2ccccc2s1)c1nc2cc(F)cnc2[nH]1 587035539 XVPSQEGBQDOAEW-ZDUSSCGKSA-N 368.437 4.583 0 1 FJAF Nc1ccc(-c2ccc3[nH]c(-c4ccc(Cl)c(Cl)n4)nc3c2)cc1N 587085025 WPCSFYGOGOTDPY-UHFFFAOYSA-N 370.243 4.763 0 1 FJAF C[C@H](c1nc2ccc(O)cc2[nH]1)n1nc(C(F)F)c(Cl)c1C(F)F 587129887 NIIUGTSNIOHCQX-RXMQYKEDSA-N 362.714 4.603 0 1 FJAF Fc1cc(CCc2nc3ccc(OC(F)(F)F)cc3[nH]2)cc(F)c1F 587138024 CASVYXCKYQJQSG-UHFFFAOYSA-N 360.257 4.664 0 1 FJAF O=C(/C=C\c1nc2cc(C(F)(F)F)c(F)cc2[nH]1)Nc1ccc(F)cc1 587167523 TYWTUSYTDGWDID-WAYWQWQTSA-N 367.277 4.512 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3cccnc3NCc3ccccc3)nc2c1F 587229176 AVWKQADMWJSANP-UHFFFAOYSA-N 372.325 4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cccc(SC(F)(F)F)c1)O2 587380782 AKQOTEHORFJPGG-HNNXBMFYSA-N 353.365 4.896 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Br)c(Cl)s1)O2 587408440 BTTIMXHFCQOQCT-NSHDSACASA-N 372.671 4.761 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(Cl)c(F)c1F)CC2=O 587466302 NBDAYDGNLKAYNO-HNNXBMFYSA-N 352.764 4.983 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(OC)c3o1)CC2=O 587478346 HDJWGWYAARTFQS-IBGZPJMESA-N 352.386 4.806 0 1 FJAF Cn1nc(C(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1Cl 587506470 NULIUVHGBHTLIS-ZDUSSCGKSA-N 366.795 4.596 0 1 FJAF CC(C)(C)OC(=O)[C@@H]1[C@H]([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)C1(C)C 587526647 YWONNCFOJOWAQH-QYZOEREBSA-N 370.489 4.513 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]12CCCCc1ccccc12 587603902 QCLFYGFROBNCIG-QPPBQGQZSA-N 372.420 4.976 0 1 FJAF CC[C@@H]1C[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604692 VJDSLTDSZGVWBC-ABBCLPKBSA-N 352.430 4.939 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3c(ccn3C)c2)N1 587754573 DZFMGXFEKATCPP-JEOXALJRSA-N 373.269 4.704 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(CO)cc4[nH]3)c2C)c(OC)c1 587928453 CZVXNYVFQVPWTD-UHFFFAOYSA-N 374.440 4.715 0 1 FJAF C[C@H](Oc1ccc2ccccc2c1)c1nc2ccc(C(=O)N(C)C)cc2[nH]1 587950856 GLNUMOYJDLVKMU-AWEZNQCLSA-N 359.429 4.558 0 1 FJAF Cc1nc(N[C@@H]2CCOc3ccccc32)cc(-c2ccc3ccn(C)c3c2)n1 653673710 NJJCGXMGIZHFMX-LJQANCHMSA-N 370.456 4.879 0 1 FJAF CO[C@H](CO)Cc1csc(Nc2ccc(C)c(-c3ccccc3C)c2)n1 653887834 PNRHXKOGGWGIRB-SFHVURJKSA-N 368.502 4.720 0 1 FJAF CCCOc1c(OCC)cccc1[C@@H]1N[C@@H]2CC[C@@H]2c2ccc(OC)cc21 962997001 PVACZFXESXNNIT-ZNLUXHQJSA-N 367.489 4.821 0 1 FJAF NCc1ccc([C@H]2CC[C@]3(C2)NCCc2c(Cl)cc(Cl)cc23)cc1 963110614 QAUDENGTUOTVMV-MGPUTAFESA-N 361.316 4.761 0 1 FJAF Cc1cc(-c2nc(-c3ccc(Cl)c(C)c3)n3c2CCO[C@H](C)C3)ccn1 1772649350 KFIOPXXYRGTTGT-OAHLLOKOSA-N 367.880 4.844 0 1 FJAF Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1)c1c(nc3c(c1N)CCCC3)O2 1857751162 RTBXQTQOIYLQKP-MRXNPFEDSA-N 366.852 4.513 0 1 FJAF O=C(N=c1ccn(Cc2ccccc2)cc1)c1ccc(Cl)cc1Cl 2382240907 ZHPZEOVKKLSXKP-UHFFFAOYSA-N 357.240 4.584 0 1 FJAF COC(=O)c1ccc2nc(-c3ccc(F)cc3)c(Cc3ccsc3)n2c1 72137878 VNLLZJGYZSGINC-UHFFFAOYSA-N 366.417 4.579 0 3 FJAF O=C(c1cc2ccccc2[nH]1)c1cc2cc(OC(=O)C3CCC3)ccc2[nH]1 13472565 DHMRMUNCZPEPED-UHFFFAOYSA-N 358.397 4.586 0 1 FJAF O=C(NCc1ccc(C(F)(F)F)cc1)Nc1cccc2ccc(O)cc12 13589059 NTNNNBUEGNLQNJ-UHFFFAOYSA-N 360.335 4.886 0 1 FJAF CCCCCCn1cc(C(=O)NCc2ccccc2)c(=O)c2ccccc21 13678305 BWPZHONCTDSMAJ-UHFFFAOYSA-N 362.473 4.512 0 1 FJAF Cc1c(OCCCCOc2cccc(O)c2)ccc(C(=O)CC(C)C)c1O 28523100 GYVPHPKUIHSMMS-UHFFFAOYSA-N 372.461 4.873 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 32022340 ZKXLEDOCSSUHKY-BJWFUVPOSA-N 362.510 4.663 0 1 FJAF endogenous,in-man CC(C)(C)c1cccc2c1OCC[C@@H]2NC(=O)Nc1cccc2[nH]ncc12 38238394 FGVFFUSBPJFGCF-KRWDZBQOSA-N 364.449 4.506 0 1 FJAF CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1ccc(F)cc1 43069594 SOYAFSXSABINJC-KRWDZBQOSA-N 367.424 4.950 0 1 FJAF Cc1nc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCCC3)c2)n[nH]1 73196955 BQFCNELWODTDKK-UHFFFAOYSA-N 358.445 4.519 0 1 FJAF NC(=O)c1cccc2c1nc(Nc1ccccc1Cl)c1ccsc12 84634133 QBBDBUVPJDYPLQ-UHFFFAOYSA-N 353.834 4.945 0 1 FJAF CC(=O)N[C@H]1CC[C@H](Nc2nc(-c3ccccc3)cc3ccccc23)CC1 101762281 BTNQTXMOPPXORA-BGYRXZFFSA-N 359.473 4.761 0 1 FJAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2cscn2)c1 113762256 UOPXZCDCQBYWAM-OAHLLOKOSA-N 366.486 4.550 0 1 FJAF Cc1cccc(C)c1-c1cccc(COc2ccc(CCC(=O)O)cn2)c1 169349545 IUVIMJCFODBBCO-UHFFFAOYSA-N 361.441 4.962 0 1 FJAF CO[C@@H]1C[C@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169356219 BLHLYSLDSMMWFB-CDJZJNNCSA-N 371.908 4.696 0 1 FJAF COc1cc(/C=C/c2nc3ccc(C(C)=O)cc3[nH]2)ccc1Br 586978168 YHNXYZCEENJLCZ-XBXARRHUSA-N 371.234 4.707 0 1 FJAF COc1cccc(-c2ccc(-c3nc4cc(OC)ncc4[nH]3)c(Cl)c2)c1 587051576 DUAXVRPRCUMZRQ-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF FC1(F)Oc2cc3nc(-c4cc(-c5cccc(Cl)c5)[nH]n4)[nH]c3cc2O1 587068054 GSVDKZYELMDMDZ-UHFFFAOYSA-N 374.734 4.595 0 1 FJAF Clc1nc(-c2nc3ccnc(Br)c3[nH]2)cc2ccccc12 587085873 LTLQONSAMQNPRY-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF OC1(c2nc3cc(Cl)c(Cl)cc3[nH]2)CCC(C(F)(F)F)CC1 587126970 POOIJHIGHJNGPA-UHFFFAOYSA-N 353.171 4.810 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnn(-c3ccccc3)c1C)CC2=O 587475026 KEKBCPBWZFSFFH-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(CCc1ccc(OC)cc1)CC2=O 587475718 CGIOPCOYZBWDSU-JOCHJYFZSA-N 354.446 4.710 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(OC)c(OC)c1C)CC2=O 587480190 NVRHIYOWRVHGOM-QFIPXVFZSA-N 370.445 4.551 0 1 FJAF CCn1ncc([C@@]2(C(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587517514 OURKFRNTBFJNPN-QFIPXVFZSA-N 352.478 4.607 0 1 FJAF CC(C)n1ncc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cnc21 587517638 ROJZHWIWWKVVDK-FQEVSTJZSA-N 361.445 4.598 0 1 FJAF CCOc1cc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)cc1OC 587524383 NIACNYBXWAZHQB-HXUWFJFHSA-N 366.457 4.988 0 1 FJAF CC[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587601488 GMJJRSATHMAKCC-OFNKIYASSA-N 360.409 4.968 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@@H](C)C2 587818822 FSNYJCIDVYVWIK-MRRFBWAASA-N 374.297 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCc3sccc32)N1 587856966 JUBZCZOQNZMBKW-QGHHPUGFSA-N 366.299 4.764 0 1 FJAF Nc1cccc(-c2nc([C@@H]3c4ccc(F)cc4C[C@H]4CCCN34)cs2)c1 963102771 GBNRZFUCHLSBLP-XLIONFOSSA-N 365.477 4.641 0 1 FJAF CC(=O)c1ccccc1-c1cccc([C@@H](CC(=O)O)c2ncc(C)s2)c1 1772585626 FCEQULOLPGWXJZ-LJQANCHMSA-N 365.454 4.928 0 1 FJAF O=C(NCc1ccc(Cl)cc1)c1ccccc1-n1cc2ccccc2n1 1772614711 JHWXAWAJBPYMMV-UHFFFAOYSA-N 361.832 4.609 0 1 FJAF CCc1noc(CC)c1[C@@H]1C[C@@](C)(c2ccc(F)cc2F)NC(=N)S1 1857600185 ZLDZLGIETAXADT-YJBOKZPZSA-N 365.449 4.695 0 1 FJAF CCN=c1[nH]nc(-c2sc(-c3ccc(-c4ccccc4)cc3)nc2C)o1 1857633033 PACQDSWZQMGEBV-UHFFFAOYSA-N 362.458 4.689 0 1 FJAF Cc1c(-c2ccccc2)cccc1-c1nc2cc(CNCCO)ccc2o1 1911574773 ZNOWLLPAHTWELC-UHFFFAOYSA-N 358.441 4.552 0 1 FJAF C=C1C(=O)O[C@@H](CCCCCCCCCCCCCC(C)=O)[C@@H]1C(=O)O 5855144 SKQHRBRVCRUFSX-RBUKOAKNSA-N 366.498 4.829 0 1 FJAF biogenic CCSC1=C(/C=C/C(=O)O)CCc2c1cc(C)n2Cc1ccccc1 28523185 ZIEOVYFDSOFLQH-ZRDIBKRKSA-N 353.487 4.896 0 1 FJAF O=C1C(=O)N(CN(c2ccccc2)c2ccccc2)c2cccc(Cl)c21 45357190 KFTALGWKYWLRNU-UHFFFAOYSA-N 362.816 4.665 0 1 FJAF c1ccc(CN2CCN3C[C@H](c4ccccc4)c4ccccc4[C@H]3C2)cc1 167500658 GYLOKBQKBMWTMJ-JWQCQUIFSA-N 354.497 4.691 0 1 FJAF Clc1ccc(CN2C[C@H]2COc2cccc3cnccc23)c(Cl)c1 169328833 FAXVDFJZIAPIMJ-GZWBLTSWSA-N 359.256 4.805 0 1 FJAF Cc1c[nH]c2c1-c1nc3ccc(O)c4c3c(c1CC2)-c1ccccc1C4=O 586990063 UQXZMLKSQFYSNX-UHFFFAOYSA-N 352.393 4.554 0 1 FJAF COc1ccc(Cc2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1 586992139 OPYJADIBNOCXOY-UHFFFAOYSA-N 367.404 4.751 0 1 FJAF Cc1cc2nc(-c3csc([C@@H]4CCCO4)n3)[nH]c2cc1Br 587016312 JOJQMRWWHJQJJM-ZDUSSCGKSA-N 364.268 4.609 0 1 FJAF Fc1cnc(Br)c2[nH]c(-c3cccc(C(F)(F)F)c3)nc12 587113112 OIEOLYXUMQRQBR-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CSc1ccc2nc([C@@H](N)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587113470 TXWOGTIOYLFKKQ-ZDUSSCGKSA-N 351.397 4.546 0 1 FJAF COCCOCCCc1cccc(-c2cc3c4c(cccc4n2)CC3)c1F 587210663 UXAJOXCJXJFNIZ-UHFFFAOYSA-N 365.448 4.735 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@@H]1C[C@H]1c1c(F)cccc1Cl)O2 587382142 OOEFFNOGHGZSQX-JNHSQIPHSA-N 359.828 4.897 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(c4cc(Cl)ccc4CC1(C)C)[C@@H](C2)C3=O 587424449 ZOTJRQPBABGKGE-KKSFZXQISA-N 354.833 4.574 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(Cl)cnc1Cl)CC2=O 587463004 UCRYBZCRSGFUTL-HNNXBMFYSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(CN3CCCC3)cs1)CC2=O 587492303 BTRCWPRILRAJPA-LJQANCHMSA-N 371.502 4.709 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1CC[C@H]1C[C@H]2CC[C@H]1C2 587604387 WFEFHKOFRCTHNW-DQIRPTDVSA-N 364.441 4.939 0 1 FJAF CC[C@@H]1C[C@H](C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604693 VJDSLTDSZGVWBC-CQIVLNHVSA-N 352.430 4.939 0 1 FJAF COC1([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)CCCCC1 587814002 XLOSFVCSMLVOBD-BDJLRTHQSA-N 356.279 4.513 0 1 FJAF O=C(O)c1cc(-c2ccc(OCc3ccccc3)cc2)n(-c2ccccc2)n1 653849937 YVEDDGSEZADRSQ-UHFFFAOYSA-N 370.408 4.817 0 1 FJAF c1cncc(-c2ccc([C@@H]3c4ccsc4CCN3Cc3ccco3)cn2)c1 962717643 VDYJFQIMWZVKMR-JOCHJYFZSA-N 373.481 4.946 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2coc(-c3cccc(OC)c3)n2)N1 962940936 BBPFEROYDTWPAR-NYHFZMIOSA-N 373.456 4.845 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1c(Cl)cccc1Cl 963051479 DPMQENZTEJQUOV-IBGZPJMESA-N 359.256 4.785 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@@](O)(CC)C[C@](O)(C=CC(=O)O)CC 2356499338 AVSPCYKDNIUSRR-TYPHKJRUSA-N 352.515 4.628 0 1 FJAF Cc1oc(-c2ccc3ccccc3c2)nc1CN(C)[C@H](C)c1ccncn1 59866636 ANKNNVSMQYNMCS-OAHLLOKOSA-N 358.445 4.786 0 3 FJAF O=C(O[C@@]12CCCN(C1)/C(=C/c1cccc(Cl)c1)C2)c1ccccc1 96018915 GIUORVGSWAUKSQ-UBXANZILSA-N 353.849 4.776 0 3 FJAF NCCCNc1nc(-c2cccc(-c3ccsc3)c2)cc2ncccc12 13489162 VRBRXXBRNMHSPG-UHFFFAOYSA-N 360.486 4.786 0 1 FJAF Cc1nc(Nc2cccc(Br)c2)c2c(n1)[nH]c1ccccc12 13803522 SHXYXRGXKBHEBR-UHFFFAOYSA-N 353.223 4.926 0 1 FJAF CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CCC1 14961326 PMDHDZWNKZXXHZ-UHFFFAOYSA-N 366.371 4.771 0 1 FJAF CCCC(=O)NCC[C@@H]1C[C@H](c2ccccc2)Cc2ccc(OC)cc21 45506241 PIGKQNFHIVEDBG-WOJBJXKFSA-N 351.490 4.815 0 1 FJAF C[C@@H](Oc1cc(-c2cn[nH]c2)cnc1N)c1c(Cl)ccc(F)c1Cl 72178546 VTOQQRYPFKINSB-MRVPVSSYSA-N 367.211 4.640 0 1 FJAF Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)[C@@H]1[C@H]2c1ccccc1 169687761 QIEXRHSKXRPESV-FGZHOGPDSA-N 355.441 4.903 0 1 FJAF Cc1cc(Cc2nc3cc(C(F)(F)F)cnc3[nH]2)ccc1Br 586975868 GMVHCLTZRDBAGZ-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF COc1cc(/C=C/c2nc3ccnc(O)c3[nH]2)cc(Cl)c1OCC(C)C 587046551 IVIQGUKFNMWYAC-SNAWJCMRSA-N 373.840 4.531 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cc(Br)cnc2[nH]1 587062972 YORLGJJWHSEMIW-GFCCVEGCSA-N 366.646 4.904 0 1 FJAF Cc1c(-c2nc3cc(F)c(F)c(F)c3[nH]2)cnn1-c1ccc(Cl)cc1 587075108 BKAZXTMKRGNUOK-UHFFFAOYSA-N 362.742 4.795 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587350320 DOUSCSIGXBVLOK-BTNQAAOWSA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccnc1)(c1cc3ccccc3o1)O2 587394204 DNHSHBUDEVRRMB-HSZRJFAPSA-N 370.408 4.627 0 1 FJAF COc1cc2c3c(c1)O[C@](CC(C)(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426238 BNDQWWYEYHVOSV-HTAPYJJXSA-N 354.421 4.913 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)c(F)cc(F)c1F)CC2=O 587467312 SCUBDBFIQCMAHV-CQSZACIVSA-N 354.299 4.608 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587719124 PARARTJMOANNDJ-BMLIUANNSA-N 352.222 4.659 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccccc2F)N1 587725750 FTLQPFXTLCUVJK-DYZYQPBXSA-N 352.222 4.525 0 1 FJAF CC(=O)OC12C[C@H]3C[C@@H](C1)CC(c1nc4cc(Cl)cc(F)c4[nH]1)(C3)C2 587950898 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4.753 0 1 FJAF O=C(c1ccc2ccccc2c1)N1CCC(NCCCc2ccccc2)CC1 28707280 SMJRJQJRPAPQIH-UHFFFAOYSA-N 372.512 4.667 0 1 FJAF CC(C)c1cc(C(C)C)n(C[C@H](OC(=O)Nc2ccncc2)C(C)C)n1 40892533 NLSHEHOMEKRJEF-IBGZPJMESA-N 358.486 4.798 0 1 FJAF Cc1nc2ccccn2c1-c1ccnc(Nc2ccc(C(F)(F)F)cc2)n1 49034823 DWJULNFNGALOCE-UHFFFAOYSA-N 369.350 4.862 0 1 FJAF CCCCN(CC)C(=O)C(=O)c1c(-c2ccccc2)n(C)c2ccccc12 66111813 QQJPWJDWWSQVRL-UHFFFAOYSA-N 362.473 4.677 0 1 FJAF COc1ccc(NC(=O)Nc2cc(F)cc(Oc3cccnc3)c2)cc1 72108908 BFVXNSJAMNJTFU-UHFFFAOYSA-N 353.353 4.666 0 1 FJAF C[C@@]12CCC[C@@H]3C[C@@]([C@H]4CCC[C@@H](Cc5ccc(O)cc5)C4)(C[C@H](N)[C@@H]31)O2 85543294 BZCXVPHXXDEZKB-LKHCFKMOSA-N 369.549 4.806 0 1 FJAF biogenic,in-vitro CC(=O)OC[C@]12CC[C@H](C)[C@](C)(CCc3ccoc3)[C@H]1CCC=C2C(=O)O 85669507 AIXFHEQYDFHUMC-IOYVRGJCSA-N 374.477 4.619 0 1 FJAF biogenic CC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@H]21)[C@H](C(=O)O)C3 85956514 ZKXLEDOCSSUHKY-WBBFGWGNSA-N 362.510 4.663 0 1 FJAF in-man Brc1cccc(Cn2ccc3nc(-c4ccccc4)nc-3c2)c1 100065435 BKJFDDCCCWXYGS-UHFFFAOYSA-N 364.246 4.861 0 1 FJAF O=C(Nc1ccccc1F)N1CC(Oc2ccc(-c3ccccc3)cc2)C1 114004144 OYKNEKYHRLBMTC-UHFFFAOYSA-N 362.404 4.788 0 1 FJAF O=C(C[C@@H](NC(=O)C1CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 149905410 MBZAXKNMUWTLID-QGZVFWFLSA-N 362.256 4.834 0 1 FJAF O=c1[nH]c(O)c(Cc2ccc(OCCC3CCCCC3)cc2Cl)s1 169700825 NMVHXEVBZSQTCJ-UHFFFAOYSA-N 367.898 4.735 0 1 FJAF CC1=CCC[C@@]2(C)O[C@@H]2C[C@@H]2[C@H](CC(C)=CCC1)OC(=O)[C@]21CCN=N1 254080584 WHIVRHBDIIISAP-QIYLELGZSA-N 358.482 4.527 0 1 FJAF Cc1ccc(NC(=O)c2ccc(F)cc2)cc1-n1cc(-c2cccnc2)cn1 473247505 DSTHNGDWKODQRN-UHFFFAOYSA-N 372.403 4.634 0 1 FJAF Cc1ccc2nc([C@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586986333 WHPATGSMBGPSRA-SFHVURJKSA-N 370.294 4.819 0 1 FJAF Cc1ccc2c3c(cc(-c4cccc(N)c4O)nc13)-c1ccccc1C2=O 586995431 GYDRFSJQJAYEGX-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF FC(F)(F)c1cc2[nH]c(-c3cc(-c4cccc(Cl)c4)[nH]n3)nc2cn1 587068240 NDHFZBYQDHUCQZ-UHFFFAOYSA-N 363.730 4.687 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2cc3cn[nH]c3cc2[nH]1 587137710 HLOANOMAYCWPAK-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF CC(C)(C)OC(=O)NC(C)(C)C(C)(C)c1nc2cnc3ccccc3c2[nH]1 587200868 AYGGLHFGZPLFBC-UHFFFAOYSA-N 368.481 4.692 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cc(Cl)c(F)c(F)c3[nH]2)cc1 587201420 MFESYAVTSQVSDH-UHFFFAOYSA-N 351.784 4.850 0 1 FJAF COc1cccc([C@]2(c3ccc(C)cc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587402446 CUJADLZCQVMBEB-XMMPIXPASA-N 373.452 4.803 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)([C@H](C)c1nc3ccccc3s1)O2 587415822 YNVUJSLEYRYCQX-MPBGBICISA-N 352.459 4.715 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1ccc(C)cc1C)[C@@H](C2)C3=O 587455829 QLGXSKQRNFFCIT-FDDCHVKYSA-N 360.409 4.596 0 1 FJAF C[C@@]1(CCCC(F)(F)F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587544616 FIMBKTJXIBBBAQ-QAPCUYQASA-N 366.335 4.845 0 1 FJAF Cc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1C 587602042 IJDMQLKVRDSKQK-NFBKMPQASA-N 360.409 4.886 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@@H]1CCCc2ccccc21 587604125 RETWMFCULIXDMM-QATBIIFWSA-N 372.420 4.843 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](CCCc2ccccn2)N1 587772891 PLZVSPQGPURQRR-XIKOKIGWSA-N 363.274 4.581 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587828818 QEEZBVCGXASWDK-RTRLTSMRSA-N 352.291 4.918 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(Cl)cnc4[nH]3)c2)c1 587933568 QTVYMJYVMLWGGE-UHFFFAOYSA-N 351.793 4.660 0 1 FJAF CN1CCc2cn(C)nc2[C@]1(CC(C)(C)C)c1ccc(Cl)c(Cl)c1 963956560 YLRZSMLDGALEQW-IBGZPJMESA-N 366.336 4.895 0 1 FJAF Cc1cc(-c2nc(-c3ccc(Cl)c(F)c3)n3c2CCO[C@H](C)C3)ccn1 1772590219 ATMHOFAAZQHBFU-CYBMUJFWSA-N 371.843 4.674 0 1 FJAF COCCNc1nc(Oc2ccc(Cl)c(Cl)c2)c2sccc2n1 61929976 NFBCARXVKYVSMN-UHFFFAOYSA-N 370.261 4.849 0 3 FJAF Cn1c(-c2ccc(F)cc2)cc2onc(-c3c(F)cccc3Cl)c2c1=O 61946471 CIMJSWGKECKXQK-UHFFFAOYSA-N 372.758 4.792 0 3 FJAF O=C(NC1CCCCC1)c1c(-c2ccc(F)cc2)noc1-c1ccoc1 773427 MDIIAUMLSRUNRU-UHFFFAOYSA-N 354.381 4.803 0 1 FJAF COc1ccc(-c2noc(-c3ccsc3)c2C(=O)N[C@H](C)C(C)C)cc1 774354 DKPUBQMGDVZYFG-CYBMUJFWSA-N 370.474 4.853 0 1 FJAF COc1ccc2c(c1)[C@H](CCCN1CCN(c3ccccc3)CC1)CCC2 13740691 VEQQYRMROCWKNF-FQEVSTJZSA-N 364.533 4.718 0 1 FJAF O=C1[C@@H]2CCCC[C@H]2C(c2cccc(Cl)c2)=NN1Cc1ccccc1 26508195 HPBQZWUNIXOGTG-RTBURBONSA-N 352.865 4.893 0 1 FJAF Cc1cc(C)c2nc(-c3ccc(F)cc3)cc([C@H](O)[C@@H]3CCCCN3)c2c1 27523656 LOBARGVNXYZDTC-REWPJTCUSA-N 364.464 4.833 0 1 FJAF Cc1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 28712258 BNBOVPQLOPVIRJ-IBGZPJMESA-N 364.408 4.872 0 1 FJAF CCNc1ccc(SCCCN2CCN(c3cccc(C)c3)CC2)cc1 28886749 DNTPLMWDDVSNOD-UHFFFAOYSA-N 369.578 4.731 0 1 FJAF Cc1c2c(nn1-c1ccccc1)[C@H](c1ccccc1)N(c1ccccc1)C2=O 45302269 VMEOTDOTDMGYLX-QHCPKHFHSA-N 365.436 4.931 0 1 FJAF O=C(/C=C/c1ccc(Br)cc1)Nc1cccc2cnccc12 63539406 HEWSYCQXZBBREJ-RMKNXTFCSA-N 353.219 4.649 0 1 FJAF Cc1nc(-c2cnc(N3CCC(C)CC3)nc2-c2ccc(F)cc2)oc1C 82164669 JGVBOPGMROJJPE-UHFFFAOYSA-N 366.440 4.791 0 1 FJAF Cc1ccc2cc(S(=O)(=O)c3ccccc3)c3nc(C)sc3c2c1 84669927 CGJVCYLLKOOIOK-UHFFFAOYSA-N 353.468 4.899 0 1 FJAF CN(Cc1nc(-c2ccccc2)c(-c2ccccc2)n1C)c1ccccn1 96914902 LCGBJGSXBKABKI-UHFFFAOYSA-N 354.457 4.786 0 1 FJAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)C5CCCCC5)C[C@@H]3N4)cc2)c1 100108536 BEAADIHJGAPFHC-UBRQYEGLSA-N 374.528 4.509 0 1 FJAF Cc1cccc(-c2ccc([C@H]3[C@H]4CNC[C@@H]3N4Cc3cccc(F)c3)cc2)c1 100109261 WSVNFXWADMNKEI-LNWKWYTESA-N 372.487 4.741 0 1 FJAF CCCC(=O)N1CC2=C(CCCC2)c2cc(C(=O)N(CC)CC)ccc21 169328411 LCXUNGMRFSCLGM-UHFFFAOYSA-N 354.494 4.643 0 1 FJAF CN[C@H](C)c1ccc(-c2c(O)cc(C)c3[nH]c(=O)c4sccc4c23)cc1 204649843 KJIHSMCYJZTBDW-GFCCVEGCSA-N 364.470 4.704 0 1 FJAF FC(F)(F)COc1cc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)ccn1 587092681 YSSBFWWEVNBXKC-UHFFFAOYSA-N 362.138 4.873 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)OCCO3 587113162 KLSSUZUBBCOCKS-LLVKDONJSA-N 362.351 4.699 0 1 FJAF O=C(CCc1nc2cc(Cl)c(Cl)cc2[nH]1)Nc1cccc(F)c1 587164002 WYZKLKYYWVZZQY-UHFFFAOYSA-N 352.196 4.580 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Cl)c(Cl)c1)[C@@H](C2)C3=O 587422055 BYASOVZCUQTDRX-BTDLBPIBSA-N 353.176 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccn(CC3CCCCC3)n1)CC2=O 587477814 VGUBSFQCLDTRGF-NRFANRHFSA-N 368.477 4.828 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](C(=O)c1ccc3ccccc3c1)CC2=O 587478469 BXNZRUVVYAOEDC-NRFANRHFSA-N 360.409 4.715 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(C)c(C)cc1OC)CC2=O 587484286 XOILECFJGUEUHD-QFIPXVFZSA-N 354.446 4.851 0 1 FJAF Cc1cn2c([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(C)nc2s1 587538094 NHVSFSWHKGUHGT-KRWDZBQOSA-N 352.459 4.598 0 1 FJAF Cc1ccc(F)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587719129 PARARTJMOANNDJ-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF Cc1cccc(F)c1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587723599 XQEDOYBIKYEUGR-QGHHPUGFSA-N 352.222 4.659 0 1 FJAF COc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)co2)cc1OC 621431081 LVDRSIDGLHGCPG-HNNXBMFYSA-N 365.429 4.763 0 1 FJAF O=C(Nc1cc(Cl)ccc1C(=O)NCc1ccccc1)c1ccccc1 1772627561 XNDWFYCRRWDZBW-UHFFFAOYSA-N 364.832 4.522 0 1 FJAF O=C(Nc1ccc(Br)cc1)c1nc2cc(Cl)ccc2s1 1857633164 YDOLDRVKLISDCZ-UHFFFAOYSA-N 367.655 4.965 0 1 FJAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](O)[C@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356503423 HHOTZDHXDANUOI-QKEDNXFGSA-N 364.526 4.604 0 1 FJAF CCCCC[C@H](O)CC(=O)CCc1ccc(O)c(OC2CCCCC2)c1 2356760542 TUQHHHVPKHKJIA-SFHVURJKSA-N 362.510 4.937 0 1 FJAF COc1cccc(-c2nnc3ccc(-c4cccc(OC(C)C)c4)cn23)c1 2382261308 BLVBQPHYSKXTBT-UHFFFAOYSA-N 359.429 4.859 0 1 FJAF COC(=O)c1ccc2nc(-c3ccco3)c(Cc3cccc(Cl)c3)n2c1 95568751 YRLKAKPJFWVYJH-UHFFFAOYSA-N 366.804 4.625 0 3 FJAF COC(=O)N1CCC2(CCCN(c3ccc(-c4ccccc4)cc3)C2)CC1 3955921 AZMGCKPCEAFTKP-UHFFFAOYSA-N 364.489 4.802 0 1 FJAF COc1ccc2nc3oc(C(=O)NCCC4=CCCCC4)cc3cc2c1 4907219 JMTSKHQZPBOCIE-UHFFFAOYSA-N 350.418 4.610 0 1 FJAF O=c1oc2nc(-c3ccccc3)cc(C(F)(F)F)c2n1Cc1ccccc1 12946746 WYOZBBWCQSDKIV-UHFFFAOYSA-N 370.330 4.724 0 1 FJAF O=C1c2c(O)cccc2Cc2ccc(CCCCc3ccccc3)c(O)c21 13490529 PQRZMFMPRIIXFH-UHFFFAOYSA-N 358.437 4.798 0 1 FJAF CCCCN1CC[C@@]2(c3cccc(O)c3)C[C@@H]1Cc1[nH]c3ccccc3c12 13741145 NFMMEMGJUAQARN-UUOWRZLLSA-N 360.501 4.980 0 1 FJAF 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374.253 4.581 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)OC(C)(C)C 587865775 IKHWDCJYJDAPQI-UHFFFAOYSA-N 356.344 4.751 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1c[nH]c3cc(Cl)ccc13)N(C)[C@@H](C)C2 962636892 NSUXWBKAGMNBBQ-QKVFXAPYSA-N 370.880 4.804 0 1 FJAF C[C@]1(C2CCC3(CC2)OCCO3)NCCc2cc(-c3ccccc3)ccc21 962665951 RTTXZRFAGBLSIV-HSZRJFAPSA-N 363.501 4.648 0 1 FJAF C[C@@]1(c2ccc3nc(N)sc3c2)NCCc2cc(-c3ccccc3)ccc21 962671161 WOJQNLAWQRAUJP-QHCPKHFHSA-N 371.509 4.955 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCCOc1ccc(OC)cc12 963234975 RPOBPRROXLMYFT-GAJHUEQPSA-N 351.490 4.768 0 1 FJAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@H](CCc2ccccc2)C1 1857556002 GSZQRVQQVRTQQJ-AWEZNQCLSA-N 364.272 4.794 0 1 FJAF FC(F)(F)c1ccc(C[N@@]2C[C@H]2COc2cccc3cnccc23)cc1 1857742794 AYKSPCUGCZMKGI-GKVSMKOHSA-N 358.363 4.517 0 1 FJAF CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)c(N)cc21 26276969 CZVYHWYKUBXKMN-UHFFFAOYSA-N 366.461 4.568 0 1 FJAF CN(c1ccc(C2CCCCC2)cc1)c1nc(=O)c2cccnc2s1 34570207 JNSVQSHRCRFEGF-UHFFFAOYSA-N 351.475 4.867 0 1 FJAF C[C@@H](NC1=NCCC1)c1cccc(OCCCCOc2ccccc2)c1 39369523 XNRQDULEASIGGM-GOSISDBHSA-N 352.478 4.768 0 1 FJAF Cc1nc(-c2ccccn2)nc(N2CCC[C@H]2c2ccccc2)c1Cl 40901156 WYRNSAHBBNFDJU-KRWDZBQOSA-N 350.853 4.842 0 1 FJAF COc1cccc(Nc2c(C(N)=O)cnc3ccc(-c4ccccc4)cc23)c1 45202303 PQQWAEOERWKNIT-UHFFFAOYSA-N 369.424 4.753 0 1 FJAF O=C1NCc2[nH]c3c(ccc4cnc(-c5ccccc5C(F)(F)F)cc43)c21 72111511 YJWADVDRDFBIPF-UHFFFAOYSA-N 367.330 4.645 0 1 FJAF CC(=O)c1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1 84632414 DZFYZDOPDLNQGE-UHFFFAOYSA-N 361.510 4.873 0 1 FJAF Oc1ccc(SC[C@H](O)COc2ccc(Cc3ccccc3)cc2)cc1 84729895 HCKWAIZMUDPQAL-HXUWFJFHSA-N 366.482 4.515 0 1 FJAF Cc1cc(N2CC[C@@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCCC1 96938819 KARKKBOPJCCXQK-GHTZIAJQSA-N 369.553 4.577 0 1 FJAF CCCCCSC1=N[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N1 101613303 CXDSTOGDGKZFFF-KRWDZBQOSA-N 364.486 4.587 0 1 FJAF CC[C@@]1(C(=O)NCCc2ccc(C(F)(F)F)cc2)[C@H](C)C1(Cl)Cl 103296536 NEGUFQXRUXGZPR-HZMBPMFUSA-N 368.226 4.584 0 1 FJAF CC1=CC[C@@H](C[C@@H](C)Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 215055648 KCXMCDKKIBWBCH-SIRBDXHCSA-N 357.475 4.914 0 1 FJAF Cc1cc(NCc2cc(Cl)cc(Cl)c2)c2cccc(C(N)=O)c2n1 473092138 RSYRCNOZWSSPPA-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF CC1=CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN[C@@H](C)c4ccccc4)[C@@H]3C=C12 504699657 FYEXWWJAZZNSHA-SULPANCISA-N 351.490 4.572 0 1 FJAF biogenic CCC(C)(C)c1ccc(-c2nc3cc(CN4CCOCC4)ccc3[nH]2)cc1 586880190 DSWYJWJGSGTDMF-UHFFFAOYSA-N 363.505 4.750 0 1 FJAF CC(C)(C)c1ccc2nc([C@H](O)c3ccc(Br)cc3)[nH]c2c1 586996290 DBWIYEGYAKPSGM-MRXNPFEDSA-N 359.267 4.705 0 1 FJAF Fc1cc(Cl)cc2nc(-c3ccc4[nH]nc(Br)c4c3)[nH]c12 587006291 DAQAGMANFMRPCC-UHFFFAOYSA-N 365.593 4.661 0 1 FJAF Cc1cc(Cl)ccc1O[C@H](C)c1nc2cc(Br)cnc2[nH]1 587066722 PYYZVKBJFXADQA-SECBINFHSA-N 366.646 4.822 0 1 FJAF Cc1cc2[nH]c(C(=O)Cc3ccc(Cl)cc3)nc2cc1Br 587072482 QWLXPZWLQAPCQH-UHFFFAOYSA-N 363.642 4.713 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)C(=O)c1ccccc1-2)Nc1ccccc1 587103265 DRWHMLWLVIYZFL-UHFFFAOYSA-N 364.404 4.627 0 1 FJAF FC(F)Oc1ccc(-c2nc3ncc(Br)c(Cl)c3[nH]2)cc1 587131110 XYHBNAXPEQJWJZ-UHFFFAOYSA-N 374.572 4.642 0 1 FJAF CC(C)(C)OC(=O)N1C[C@@H](c2nc3cc4ccccc4cc3[nH]2)C(F)(F)C1 587132727 UBWDYSIQKQGPOI-AWEZNQCLSA-N 373.403 4.686 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1c1nc2cc(F)c(F)c(F)c2[nH]1 587234994 BTSQYHIDTLBRMN-MWLCHTKSSA-N 369.387 4.531 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccnc1Oc1ccc(C)cc1)[C@@H](C2)C3=O 587437424 ZZWDKMRVXNFIPH-PGRDOPGGSA-N 373.408 4.680 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(C)nn(C(C)(C)C)c1C)CC2=O 587475332 MGVIFPYUIGQSCQ-GOSISDBHSA-N 356.466 4.620 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2-c2ccc(O)cc21 587481838 MVEFQGSFINYIQD-XMMPIXPASA-N 372.420 4.940 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC)cc1OC(C)C)CC2=O 587488200 YQZLISZUHYVLLO-OAQYLSRUSA-N 370.445 4.847 0 1 FJAF COC[C@@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504098 MLRUKJBFXRAINZ-OAQYLSRUSA-N 374.839 4.865 0 1 FJAF CC[C@H](c1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604158 UQIVKXRFBILDFN-NIJIEXERSA-N 360.409 4.916 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc(O)c2Cl)N1 587694896 MPRKGFUTAHSBBJ-VPTHRUTESA-N 370.649 4.571 0 1 FJAF CCC1(CC)[C@H](OC)C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587813676 WLNOQGDMFXUCNB-OMPKRAJASA-N 370.306 4.543 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3c(c2)CCC3)N1 587815411 MGSKWZNPTMMCRS-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2Cc3ccccc3C2)N1 587822370 KAZZXODVMMUACP-NSPYISDASA-N 360.270 4.579 0 1 FJAF CC[C@H](C)CCc1nnc(CCC(=O)Nc2ccc(C)cc2C)n1C1CC1 653737521 UTGGRCANPVTWAT-HNNXBMFYSA-N 368.525 4.780 0 1 FJAF COc1ccc2c(c1)[C@H](c1cc(CN3CCCCC3)cs1)N[C@H]1CC[C@H]21 962990325 BLGZHPFPFXMISR-KAGYGMCKSA-N 368.546 4.681 0 1 FJAF COc1cccc(-c2cccc(NC(=O)C3CCN(C4CCC4)CC3)c2)c1 11957808 FNPFEKSKYHJNOY-UHFFFAOYSA-N 364.489 4.565 0 3 FJAF Cc1noc(C)c1-c1ccc2ncnc(NCc3ccc(F)c(F)c3)c2c1 13816118 ADZFDAGQWVHEQB-UHFFFAOYSA-N 366.371 4.792 0 1 FJAF CSc1sc(C(=N)N)cc1-c1nc(-c2cnccc2Cl)cs1 28770492 GVDWENUEEMSFBD-UHFFFAOYSA-N 366.924 4.593 0 1 FJAF CC(C)=CC[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F 28954265 MZFCZPQWNWPYGZ-CYBMUJFWSA-N 353.171 4.976 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(c3ccccc3)C[C@@H]2C1 29127837 NIKYPYAIHGCRMC-DHLKQENFSA-N 358.529 4.865 0 1 FJAF CC(C)=CC1(N2CCC3(CC2)C(=O)NC[C@H]3c2ccccc2)CCCCC1 38147587 YGUWHZGNNDRWKA-NRFANRHFSA-N 366.549 4.651 0 1 FJAF CCCC(Br)(Br)c1cc2ccccc2c(=O)o1 40829065 QIJMJBZCGWRVCT-UHFFFAOYSA-N 360.045 4.536 0 1 FJAF COc1cc(/C=C/c2nccc3c2[nH]c2ccccc23)cc(OC)c1OC 40896703 FURFGIMYQHGNSG-CMDGGOBGSA-N 360.413 4.912 0 1 FJAF O=C(c1ccccc1)[C@@H]1C[C@H]1CN1CC=C(c2c[nH]c3ccccc23)CC1 45324246 HSVNEFNKZLUKJI-PZJWPPBQSA-N 356.469 4.776 0 1 FJAF CC(=O)O[C@H]1OC(=O)C=C1CC[C@@]1(C)[C@H](C)CC[C@@]2(C)C(C)=CCC[C@H]12 85841754 RUWAXMSQGBJERD-KIWDYCEFSA-N 360.494 4.938 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@H](O2)[C@H]1COCC1CCCCC1 100823689 MCXWYACNYOTKNC-PPKYGLFJSA-N 350.499 4.578 0 1 FJAF CCCCc1ccc(CN2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cc1 114332628 MCOKCTAPEUYJLT-JOCHJYFZSA-N 362.521 4.982 0 1 FJAF Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N(C)C)c2C1 146393656 AMFBOVDUZWZNDH-UHFFFAOYSA-N 372.516 4.698 0 1 FJAF CC/C(=C(/c1ccc(O)cc1)c1ccc(OCC(N)=O)cc1)c1ccccc1 205475312 IZTUQONRDYAJIC-ZNTNEXAZSA-N 373.452 4.625 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C)c(Br)cc3[nH]2)cc1 586885849 DFYSPFRSSIDSPF-SJKOYZFVSA-N 359.267 4.779 0 1 FJAF COc1cc(/C=C\c2nc3c(Cl)ccnc3[nH]2)ccc1Br 586977840 UEAFRDKGZWYPAL-HYXAFXHYSA-N 364.630 4.553 0 1 FJAF Cc1c(Cl)ccc2nc([C@@H]3CSCN3C(=O)OC(C)(C)C)[nH]c12 587038978 CVDJFLONINIZFD-LBPRGKRZSA-N 353.875 4.507 0 1 FJAF FC(F)(F)CSc1cc(-c2nc3ccc4ncccc4c3[nH]2)ccn1 587092358 DYXPWLMYTIPQQT-UHFFFAOYSA-N 360.364 4.828 0 1 FJAF Cc1ccc2c3c(c4c(nc13)-c1cc(O)[nH]c1CC4)-c1ccccc1C2=O 587098079 UUEZKXAFZJAKKF-UHFFFAOYSA-N 352.393 4.554 0 1 FJAF O=C(c1ccccc1)c1ccc2nc([C@H]3Cc4cc(F)ccc4O3)[nH]c2c1 587173360 BZNGKECTCCYIIW-HXUWFJFHSA-N 358.372 4.609 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(Cl)cccc1OC(F)F)O2 587382595 NEBWHMFGZVJHID-CQSZACIVSA-N 353.752 4.539 0 1 FJAF C[C@]1(c2c(Cl)ncnc2Cl)CC(=O)c2ccc3c(c2O1)CCCC3 587501102 QWHNOBQANUBTJT-GOSISDBHSA-N 363.244 4.543 0 1 FJAF O=C1CC2(CC(COCc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587525027 PCEGSCOBOMHGPL-UHFFFAOYSA-N 362.469 4.896 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1CCCc2ccccc21 587604123 RETWMFCULIXDMM-GQOCTPOGSA-N 372.420 4.843 0 1 FJAF CC[C@]1(c2ccccc2F)N[C@H](C)Cc2cc(Br)c(F)cc21 587727314 NTQPRPIXRUCJDF-ADLMAVQZSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cn(C)c3ccccc23)N1 587755623 IDYDDHGCVGWFSO-NSPYISDASA-N 373.269 4.704 0 1 FJAF CCCN1[C@H](c2cnn(-c3ccc(F)cc3F)c2)c2ccccc2C[C@H]1C 963237711 ZBSZLTUJJCIWJX-IVZQSRNASA-N 367.443 4.897 0 1 FJAF CC1=CC[C@@H]2[C@@H](CCC(=O)C2(C)C)[C@@H]1COc1ccc2ccc(=O)oc2c1 2356386641 QNYVPIIHDIDFPU-IPMKNSEASA-N 366.457 4.760 0 1 FJAF Cc1cc([C@H]2CC[C@H](c3nnc4n3-c3ccc(Cl)cc3CC4)CC2)no1 2382224326 ZSBLXIMEXXLTMW-HDJSIYSDSA-N 368.868 4.757 0 1 FJAF CC[P@](=O)(OC)c1ccc2oc(-c3cccc(OC(F)F)c3)nc2c1 2382259660 QGRJSFQOKHUSCT-VWLOTQADSA-N 367.288 4.666 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1 602848 XKNAGLMNQADBQE-UHFFFAOYSA-N 352.394 4.803 0 1 FJAF in-vitro CC(=O)O[C@H](C[C@@]1(C)[C@@H](C)CC[C@@]23COC(=O)C2=CCC[C@@H]31)c1ccoc1 15162854 DZAYTXGDCMMRGZ-DZIGDOIQSA-N 372.461 4.590 0 1 FJAF endogenous,in-man c1ccc2c([C@@H](c3ccc(CN4CCCC4)cc3)n3ccnc3)ccnc2c1 29135278 ZCNUCTDIGCHCHL-XMMPIXPASA-N 368.484 4.665 0 1 FJAF CC1=NC[C@H]2CN[C@@H](c3ccccc3Cl)c3cc(Cl)ccc3C2=N1 29336646 FTUJAWMXZRHZFL-BUXKBTBVSA-N 358.272 4.523 0 1 FJAF CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccc(Cl)c3)nnc1-2 35091016 WNNSEHFZBFRXEL-UHFFFAOYSA-N 367.884 4.696 0 1 FJAF CCc1cc(-c2n[nH]c(=S)n2-c2cccc3ccccc23)c(O)cc1O 43130411 RULMGXORUZFHEM-UHFFFAOYSA-N 363.442 4.724 0 1 FJAF O=C(OCc1ccccc1)c1coc(-c2cncc(-c3ccccc3)c2)n1 49112488 BINFNSVLZAFPRO-UHFFFAOYSA-N 356.381 4.761 0 1 FJAF O=C(O)c1ccc(NC(=O)c2cc3c4c(c2)CCCCC4CCCC3)nc1 59027161 JVETWSVVLDTOQC-UHFFFAOYSA-N 364.445 4.569 0 1 FJAF Clc1ccc([C@@H](c2cccnc2)N2CCN(c3ccccc3)CC2)cc1 72184604 NTKIYDPPTOXAHC-QFIPXVFZSA-N 363.892 4.647 0 1 FJAF Cc1ccccc1N1C(=O)[C@@H](c2ccccc2)C[C@H](c2ccccc2)C1=O 73200250 CHZJGWKLMTVFHR-NHCUHLMSSA-N 355.437 4.826 0 1 FJAF Cc1cnc(-c2cnc(NCCc3ccccc3F)nc2-c2ccccc2)o1 82163205 RSSKVIUUVSUWEG-UHFFFAOYSA-N 374.419 4.901 0 1 FJAF O=C(NC12CC3CC(CC(C3)C1)C2)N[C@H]1CC[C@@H](OC2CCCCC2)CC1 101507590 RVBNPYRCUIBUGA-HKOABCPDSA-N 374.569 4.915 0 1 FJAF CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(O)CCCC2=N1 103941801 MPVTUWAURZTJDS-LJQANCHMSA-N 365.458 4.590 0 1 FJAF Cc1ccc(F)cc1-c1ccc2cc(NC(=O)[C@@H]3CC3(F)F)ncc2c1 169699923 YILWYLGYSKDOND-KRWDZBQOSA-N 356.347 4.943 0 1 FJAF C[C@H](CCNCCCC(N)=O)CC1(c2ccc(Cl)c(Cl)c2)CCC1 199950308 OZLLUGNMXJLQIE-CQSZACIVSA-N 371.352 4.687 0 1 FJAF Cc1cc(Cc2nc3cc(C(F)(F)F)ncc3[nH]2)ccc1Br 586976419 JUAKGLVAARPEEF-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF Cc1nc(Br)sc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587012633 ZRJMXPNMYFVXCW-UHFFFAOYSA-N 362.174 4.776 0 1 FJAF COc1ccc2[nH]c(-c3ccc(OCc4cccc(Cl)c4)cc3)nc2n1 587072181 XDGAJYHNABRAAA-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF COc1ccnc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c1 587096133 DTMKRIXZALOMBP-UHFFFAOYSA-N 352.393 4.825 0 1 FJAF COC(=O)c1cc(-c2nc3cccc4c3c(c2C)-c2ccccc2C4=O)c[nH]1 587105540 CUQMKBYKCZSOCI-UHFFFAOYSA-N 368.392 4.536 0 1 FJAF C[C@H](Oc1ccc(F)cc1)c1nc2c(Cl)c(Br)cnc2[nH]1 587169479 XKCHYCRHJQOLKJ-ZETCQYMHSA-N 370.609 4.653 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H]([C@H]1CCOC1)CCC3 587209122 JYEOAYDMTZOSTN-GJZGRUSLSA-N 355.437 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(C[C@@H](c3ccccc3)Oc3ccccc31)O2 587410851 GRZRUYMGOXFTAM-LADGPHEKSA-N 371.436 4.962 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(O)c4)c1)[C@@H](C2)C3=O 587452919 VYKSRAODMSQUHM-GBXCKJPGSA-N 372.420 4.731 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ccc(OC)cc31)CC2=O 587477904 KIAACTNQMFJYDO-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@@H](Oc2ccccc2)C1(C)C 587481071 PGABNRYDTLWEIC-OFNKIYASSA-N 366.457 4.926 0 1 FJAF O=C1C[C@H](c2cnc(-c3cccnc3)s2)Oc2c1ccc1c2CCCC1 587534170 BHONERUDKLBWKM-GOSISDBHSA-N 362.454 4.790 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4cc(C)nc(C)c4[nH]3)cc2)c1 587781468 KJGMPWUDZRQPGS-UHFFFAOYSA-N 359.429 4.829 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1cccc(F)c1 587860690 DBACAFWUPBYONJ-UHFFFAOYSA-N 350.315 4.765 0 1 FJAF CC[C@H](O[C@@H]1CCC[C@@H](C)C1)c1nc2ccnc(Br)c2[nH]1 587952476 RQJWDBHHYNIVTC-WZRBSPASSA-N 352.276 4.767 0 1 FJAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C)c(OC)c21 1857578217 SJCCBSGPGMAWOH-UHFFFAOYSA-N 372.468 4.657 0 1 FJAF CC(C)NC(=O)c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1 1857769952 HSGPTAGCLBZFSP-RMKNXTFCSA-N 359.429 4.578 0 1 FJAF CC1(C)[C@H](Cc2ccccc2)C(=[N+]2CCCC2)C=CN1Cc1ccccc1 2382224044 DUBGBBYFMQPQDH-HSZRJFAPSA-N 359.537 4.901 0 1 FJAF O[C@H](c1cccc(Cl)c1)c1nc(-c2cccc(C(F)(F)F)c2)c[nH]1 61929337 LZALHZWOVITIST-OAHLLOKOSA-N 352.743 4.831 0 3 FJAF Cc1cccc(-c2noc([C@H]3CCCCN3C(=O)C3CCCCC3)n2)c1 4594335 CFHLROMIEPTBTD-GOSISDBHSA-N 353.466 4.679 0 1 FJAF CC(=O)OC[C@]12CCCC(C)(C)[C@@H]1CC[C@]1(C)c3occc3C(=O)C[C@@H]12 14587106 PDBNIQRPWFTLNF-YHDSQAASSA-N 358.478 4.910 0 1 FJAF biogenic CNCC[C@H](c1cccc(F)c1)N1C(=O)C2(CCCCC2)c2ccccc21 34986251 DWTJKIXZDHRVPT-HXUWFJFHSA-N 366.480 4.725 0 1 FJAF Cc1ccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)cc1 40898898 SNVALHZSCLXGKH-AWEZNQCLSA-N 366.852 4.864 0 1 FJAF Fc1cccc(-c2cccc(Cl)c2)c1-c1noc(CC2CCNCC2)n1 49045602 JFEDLDBLCNWJJT-UHFFFAOYSA-N 371.843 4.738 0 1 FJAF Cc1ccc(C(=O)NC2CCC2)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72108833 QDXZWDYPZCHAEI-UHFFFAOYSA-N 374.484 4.708 0 1 FJAF CCC(F)(F)c1nc2nc(C)cc(Nc3ccc(C(F)(F)F)cc3)n2n1 73314610 DJWKVIKEQRMJEF-UHFFFAOYSA-N 371.313 4.697 0 1 FJAF O=C(Nc1cccc(Cl)c1C(=O)O)c1ccc(-c2ccccc2)cc1 96938307 ZXISIAFSEKIFGO-UHFFFAOYSA-N 351.789 4.958 0 1 FJAF C[C@H]1CCO[C@H](c2nc3cc(Br)c(Br)cc3[nH]2)C1 586917599 STUAFMRNFOYIRL-MADCSZMMSA-N 374.076 4.576 0 1 FJAF COc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@@H](C)CCC4)nc2n1 587030320 COVJEUJZIAOOGZ-LBPRGKRZSA-N 364.474 4.926 0 1 FJAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1C 587075177 FBTFKAFPYSTJMH-UHFFFAOYSA-N 352.825 4.694 0 1 FJAF COc1cc2[nH]c(-c3ccc(-c4ccc(Cl)nn4)cc3)nc2cc1C 587084929 JISGKXTULSQXBH-UHFFFAOYSA-N 350.809 4.657 0 1 FJAF N[C@@H](N=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587112995 QSRPQWFXHOIICH-INIZCTEOSA-N 371.322 4.521 0 1 FJAF Fc1cc(Br)cc2nc(-c3cncc(C(F)(F)F)c3)[nH]c12 587115636 SUYSMMDUDUYODH-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF CSc1ccc2nc(-c3cc(Br)c(F)cc3F)[nH]c2c1 587136536 QTGBWRNFTGAFKN-UHFFFAOYSA-N 355.207 4.993 0 1 FJAF CC(C)C(=O)Nc1cc2ccccc2cc1-c1nc2ccc(CCO)cc2[nH]1 587247931 YLEGFIVLNMYFKE-UHFFFAOYSA-N 373.456 4.512 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3cc(Br)ccc13)O2 587374505 YLGAUURCLIMEPK-KRWDZBQOSA-N 371.234 4.528 0 1 FJAF COc1ccc(-c2ccc([C@H]3Oc4cc(OC)cc5c4C(=O)[C@H]3C5)cc2)cc1 587444543 UXZQLPTZJDBTJT-HYBUGGRVSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3cc(Cl)ccc31)CC2=O 587458796 BUUKBBYDYMLANS-HXUWFJFHSA-N 358.821 4.641 0 1 FJAF CCCCc1nc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(Cl)[nH]1 587463683 ZPOAKBYXGMDPSQ-OAHLLOKOSA-N 362.857 4.770 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(C)cc1)(c1ccccn1)CC2=O 587486444 BWCZGLCJRKNXAM-DEOSSOPVSA-N 373.452 4.957 0 1 FJAF O=C1C[C@@H](c2cccc(-c3cnccn3)c2)Oc2c1ccc1c2CCCC1 587515502 OYRUXWATWKMPIN-QFIPXVFZSA-N 356.425 4.729 0 1 FJAF CC[C@@]1(c2ccc(OC(C)=O)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587523342 LJOUIWADXUBBOV-QHCPKHFHSA-N 364.441 4.761 0 1 FJAF CCOC(=O)C[C@]1(CC2CCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587523626 LJDDDJJEEGWUTF-QHCPKHFHSA-N 370.489 4.803 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587559597 XTTLKENXQPRAIZ-KNQAVFIVSA-N 364.372 4.717 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1nccc2ccccc12 587587227 LSUFYPNPELLFSW-WMZHIEFXSA-N 369.376 4.643 0 1 FJAF CC(C)[C@@]12C[C@@H]1[C@@H](C)[C@@]1(C2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603023 KMCLTJAXSKEGMJ-QPROZONKSA-N 364.441 4.795 0 1 FJAF Cc1ccc(-n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)cc1F 587656067 VSUKVFGPFKQMBE-UHFFFAOYSA-N 366.342 4.778 0 1 FJAF CC(C)[C@]1(C(F)(F)F)N[C@H](C)Cc2cc(Br)c(F)cc21 587707865 XNGJNSMPKUWOPG-OQPBUACISA-N 354.185 4.536 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc(F)cc2)N1 587733840 MBHFZYTZVSLOBI-BMLIUANNSA-N 352.222 4.525 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccccc3n2)N1 587777208 FWPRTXNMMAADIK-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(CCc2ccccc2)N1 587809434 AJHVMLQVPYQEKU-DJJJIMSYSA-N 362.286 4.970 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCCC[C@@H]2C2CC2)N1 587823670 QUUOYCGSWNKUII-OMPKRAJASA-N 352.291 4.918 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccsc2)N1 587854111 PUKKRQRUADKPJA-QLJPJBMISA-N 354.288 4.642 0 1 FJAF CCCn1c(C)cc([C@@H]2c3cccc(Br)c3CCN2C)c1C 963281385 RWJHIDUJQRPVAS-IBGZPJMESA-N 361.327 4.855 0 1 FJAF Cc1ccc(Cl)c(Nc2ccccc2-c2nnc(NC#N)o2)c1Cl 592153 NHRBGODRNWECEP-UHFFFAOYSA-N 360.204 4.988 0 1 FJAF FC(F)(F)c1ccc(-c2cc(Nc3ccc4c(c3)OCCO4)ncn2)cc1 3926795 KOXDEKQHVGXXDD-UHFFFAOYSA-N 373.334 4.677 0 1 FJAF CC1(C)[C@H]2CC=C(CN3CCC(Nc4nc5ccccc5o4)CC3)[C@@H]1C2 6744007 QXQOSWMICBNZNQ-WMZOPIPTSA-N 351.494 4.697 0 1 FJAF CCN(Cc1ccccc1)c1nc(C)nc(Nc2c(C)cc(C)cc2C)n1 13759957 RWQKBFUNMYSJSR-UHFFFAOYSA-N 361.493 4.875 0 1 FJAF C[C@@H]1CN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(Cl)cc32)CCN1C 22937970 NDIIKLHONTYYRL-XWRIVVANSA-N 358.888 4.692 0 1 FJAF CSc1ccc([C@@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 27089077 YQABRVQJRUNVOL-LBPRGKRZSA-N 369.873 4.816 0 1 FJAF C[C@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@H]1CCCC[C@H]1C2=O 27560634 HCSCBGKMVNYQNJ-CGTJXYLNSA-N 371.546 4.897 0 1 FJAF Cc1ccc2c(c1)c(CCC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1 28127019 ZPXOGPXESMZACW-UHFFFAOYSA-N 355.821 4.617 0 1 FJAF C[C@H]1c2c(F)c(-c3cccc4cc[nH]c34)c(F)c(F)c2NC(C)(C)[C@@H]1O 66097473 XRYJPXTUVITKHR-ZRNGKTOUSA-N 360.379 4.921 0 1 FJAF Cc1ccc(N2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 103267924 MYIWFKLUWZSOTA-UHFFFAOYSA-N 370.496 4.667 0 1 FJAF Nc1c2c(nc3c1[C@@H](c1ccc(F)cc1)c1ccc(O)cc1O3)CCCC2 103268678 VCRJSIMUGXIVMK-IBGZPJMESA-N 362.404 4.673 0 1 FJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2ncc(F)cc2[nH]1 586981997 YJAPKXNKPHFQRI-UHFFFAOYSA-N 371.213 4.626 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cnn4cccc(Br)c34)[nH]c2c1 587007062 VEDMIZOEDSCKTO-UHFFFAOYSA-N 369.266 4.938 0 1 FJAF FC(F)(F)c1cc(Cl)c2[nH]c(Cc3csc4nccn34)nc2c1 587039956 HMAWMQUMMNJRTE-UHFFFAOYSA-N 356.760 4.535 0 1 FJAF O[C@H](c1nc2cc(Cl)cc(Br)c2[nH]1)c1ccccc1Cl 587059711 UJLQPXDHANXVSS-ZDUSSCGKSA-N 372.049 4.714 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc(F)c(C(=O)O)cc2[nH]1 587066258 LMHWRBQJEVJABD-UHFFFAOYSA-N 369.783 4.820 0 1 FJAF Clc1ccc(C2=C[C@@H](c3nc4ccc5c(c4[nH]3)CCCC5)ON2)cc1 587076933 PKPMEZXKPWXZND-SFHVURJKSA-N 351.837 4.712 0 1 FJAF Fc1ccc2c(-c3nc4[nH]c(Cl)nc(C(F)(F)F)c-4n3)coc2c1 587174225 GWNKWDWHXDXFSV-UHFFFAOYSA-N 356.666 4.529 0 1 FJAF Fc1ccc2[nH]c(-c3nc4cc5c(cc4[nH]3)OCCCO5)c(Cl)c2c1 587174867 NCCMPRMCLYRZHU-UHFFFAOYSA-N 357.772 4.665 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc4c(Cl)ccc(C)c4n1)[C@@H](C2)C3=O 587419929 GBGLXJAWCKNYGN-QKKBWIMNSA-N 365.816 4.694 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(Cl)nc1Cl)CC2=O 587461873 NSGBMXYBAOQSMW-GOSISDBHSA-N 366.244 4.927 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(O)cc(C(F)(F)F)c1)CC2=O 587464309 NZTSAIFBAMQIPS-QGZVFWFLSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cccc3nc(C)oc13)CC2=O 587487863 XWRPGIGKDRGXIK-NRFANRHFSA-N 351.402 4.675 0 1 FJAF C[C@H](O)[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532329 PQJWCSOWXJNGEX-JEOXALJRSA-N 362.878 4.522 0 1 FJAF CCOC(=O)c1c(-c2cccc(Br)c2)[nH]c2cc(F)ccc12 587632573 KHFOYJVGSDZQIV-UHFFFAOYSA-N 362.198 4.913 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3[nH]2)N1 587802872 OAPHITBVABAFHD-YPMLDQLKSA-N 359.242 4.693 0 1 FJAF COc1ccc(C)cc1-n1nc(-c2ccccc2C(F)(F)F)cc1OC 587862692 FTSLSOCTZHWIAK-UHFFFAOYSA-N 362.351 4.884 0 1 FJAF CO[C@@H](C)COC1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 587952258 NQTSXZVRIXHJNK-ZBOXLXRLSA-N 357.281 4.947 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cccn2C[C@@H]2CCCO2)cc1 962658189 CCSCICKFZNPXFR-XUZZJYLKSA-N 358.485 4.569 0 1 FJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1cnc2ccccc2c1 962715006 UVBRMFFDRRNCPF-JTSKRJEESA-N 364.489 4.827 0 1 FJAF Cc1ccc([C@]2(c3cccc(F)c3F)NCCc3cccc(Cl)c32)cn1 963391613 VPQNCTHQXDDOKL-OAQYLSRUSA-N 370.830 4.759 0 1 FJAF CC(C)[C@H]1c2c(n[nH]c2-c2ccccc2)Oc2nc3c(c(N)c21)CCCC3 1772577428 FQOPPBCANCFCSJ-MRXNPFEDSA-N 360.461 4.826 0 1 FJAF CNC(=O)c1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1 1857555743 QVGOFQSRONWZFN-UHFFFAOYSA-N 361.832 4.681 0 1 FJAF Cc1cc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)ccc1F 1857586713 NWDFFSNVVNEJMS-UHFFFAOYSA-N 369.827 4.992 0 1 FJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@]1(C)Oc3cccc(C(=O)O)c3C(=O)[C@@H]12 2356541408 BRJRCUMHFKMNEZ-SPRUFDBQSA-N 356.462 4.961 0 1 FJAF COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1O 3816588 NNUPYSBSBBSLHI-UHFFFAOYSA-N 358.393 4.543 0 1 FJAF CCN(CCCOc1ccc2c(=O)ccoc2c1)CCCc1ccccc1 13860947 XHGXWWGAUYYBET-UHFFFAOYSA-N 365.473 4.517 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 27421553 ZRESSCVMJGYKHQ-VKPYFNSOSA-N 354.490 4.577 0 1 FJAF CN1CCC[C@H](n2ccc3cc(NC(=N)c4cccs4)ccc32)CC1 72105990 FZWZUXKSQFUUDL-KRWDZBQOSA-N 352.507 4.797 0 1 FJAF COc1ccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)cc1 72181982 HPOUVWIWZIWUBM-UHFFFAOYSA-N 362.351 4.659 0 1 FJAF CCCCCCNC(=N)c1ccc(N2CCN(c3ccccc3)CC2)cc1 73197802 OMYKTUCWWFAHNI-UHFFFAOYSA-N 364.537 4.508 0 1 FJAF Cc1ccccc1Nc1nc(-c2c(O)c3ccccc3oc2=O)cs1 84668664 FJOWOAKTPXNTPN-UHFFFAOYSA-N 350.399 4.674 0 1 FJAF O[C@@H](CSc1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 84689920 SFWQVUHZYXNTJW-JOCHJYFZSA-N 363.526 4.842 0 1 FJAF CO[C@@H]1C[C@H]2C[C@@H](O[C@@H](c3ccccc3)c3ccc(Cl)cc3)C[C@H]1N2C 100878413 BLHLYSLDSMMWFB-LMYCIYFBSA-N 371.908 4.696 0 1 FJAF Cc1ccoc1-c1cc2nc(CSc3cccc(F)c3F)cc(O)n2n1 103224611 GSJCWKHZMPGTPP-UHFFFAOYSA-N 373.384 4.574 0 1 FJAF O=C1OC[C@H](C2CCC(c3ccccc3)CC2)N1c1ccc2[nH]cnc2c1 116829344 RAUDIXMQSUIFIX-MYKUNDNFSA-N 361.445 4.862 0 1 FJAF O=C1NC(=O)/C(=C/c2cccc(OCC3CCCCC3)c2Cl)S1 139437097 GFIKVJZFVUEAIC-ZROIWOOFSA-N 351.855 4.623 0 1 FJAF COc1cccc(OC)c1[C@@H]1CCCC(=O)N1Cc1cc2ccccc2o1 167396433 OCTOQPZKGOMKKM-KRWDZBQOSA-N 365.429 4.704 0 1 FJAF Clc1ccc(CN[C@H]2CCCn3nc(COc4ccccc4)cc32)cc1 299839462 RXZWAODCFKEIAP-FQEVSTJZSA-N 367.880 4.740 0 1 FJAF Cc1ccc(CSCCc2nc3cc(C(F)(F)F)ncc3[nH]2)cc1 586970123 GSURKOAKNPBORV-UHFFFAOYSA-N 351.397 4.761 0 1 FJAF COc1cc(-c2nc3ccnc(Cl)c3[nH]2)cc(Cl)c1OCC(C)C 587045839 GDGKZUOPPPRLFP-UHFFFAOYSA-N 366.248 4.975 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@H](C(=O)O)C[C@H]41)-c1ccccc1C2=O 587100453 ACFQCXSZBBUQGU-DCGLDWPTSA-N 369.420 4.505 0 1 FJAF CCC(=O)CC[C@@]1(CC)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587349567 CJZWFNNCIKVCIL-IFMALSPDSA-N 370.420 4.798 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1cc(Cl)cc(Cl)c1)O2 587376660 DTCNVIMFINKQMR-GOSISDBHSA-N 350.245 4.851 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)cc1C(F)(F)F)O2 587382594 QLWTZIIYOMNFKS-HNNXBMFYSA-N 355.743 4.956 0 1 FJAF CCOc1cccc2cc([C@]3(C)Oc4cc(OC)cc5c4C(=O)[C@H]3C5)oc12 587456171 SDKAIBTYLBVQKZ-IVZQSRNASA-N 364.397 4.503 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3ncc(Cl)cc31)CC2=O 587463817 YXCLNZMVHQCRME-FQEVSTJZSA-N 357.837 4.590 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCc1ccc(OC)cc1C)CC2=O 587482108 RXNUKOFAHMLIBG-QGZVFWFLSA-N 354.446 4.628 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccccn1)(C(C)(C)C)CC2=O 587492959 YXQGVGQBGTVQOA-QFIPXVFZSA-N 353.462 4.733 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3ncnc(Cl)c3s1)CC2=O 587494914 MKDVALWXEBZBNI-AWEZNQCLSA-N 374.849 4.709 0 1 FJAF CCOCOc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587521510 DCARRIDDMWOJTJ-NRFANRHFSA-N 352.430 4.645 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc(F)cc1Cl 587570406 WQQOWAKUBYQQDW-PXNSSMCTSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cnc2ccccc2c1 587586295 KDGALXQMIKVCKL-OFNKIYASSA-N 369.376 4.643 0 1 FJAF COC(=O)c1cc(-c2[nH]c3cc(F)ccc3c2C)cn1C(=O)OC(C)(C)C 587635112 DIGMOXSARYEVCB-UHFFFAOYSA-N 372.396 4.654 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3cnccc23)N1 587776116 BCLZEABADVFINA-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF COc1cc(C)cc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587806665 IDJAXFCGLLBXLD-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2CC(C)(C)CCC2=O)N1 587822672 LWKPTYMBWZSDTI-HSOHIQCKSA-N 368.290 4.559 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)sc1C 587844096 MDPNPXXIXGYSPU-ABKXIKBNSA-N 354.288 4.890 0 1 FJAF Nc1sccc1[C@]1(c2ccccc2)c2c(F)cccc2C[C@H]2CCCN21 963116288 WJYZUQNQSMFNOG-VGOFRKELSA-N 364.489 4.782 0 1 FJAF C[C@@]1([C@@H]2CC2(F)F)NCCc2c1[nH]c1ccc(OCc3ccccc3)cc21 963834041 ZTDMYRFPNRKFNO-FPOVZHCZSA-N 368.427 4.763 0 1 FJAF CCCC(C)(C)C(=O)N1CC[C@@]1(C)C(=O)Nc1cccc2ccccc12 61905931 LNHLXPHICKFULM-QFIPXVFZSA-N 352.478 4.596 0 3 FJAF c1ccc(-c2nnc3c4c(c(Oc5cccnc5)nn23)C2CCC4CC2)cc1 13610305 ZTIASORFYBCQED-UHFFFAOYSA-N 369.428 4.733 0 1 FJAF Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2)cc1 13757910 YFNAKWJUFRRKBZ-UHFFFAOYSA-N 370.452 4.840 0 1 FJAF CCc1cc(CCCOc2c(C)cc(-c3noc(C4CC4)n3)cc2C)on1 28769087 KGIGQSKHGNOYGG-UHFFFAOYSA-N 367.449 4.793 0 1 FJAF NC(=O)Cc1cn(CC2CC2)c2ccc(-c3ccc(F)c(Cl)c3)cc12 28888331 KRLMIQHKGVWSQC-UHFFFAOYSA-N 356.828 4.539 0 1 FJAF Cc1onc(-c2ccccc2)c1-c1nc(NCc2ccccc2Cl)no1 45189121 CICPHBHTEGGBQD-UHFFFAOYSA-N 366.808 4.966 0 1 FJAF CC[C@H](C)CNC(=O)c1cncc(-c2ccc(CNC3CCCC3)cc2)c1 45194247 DGVQVYFIGDBSOS-KRWDZBQOSA-N 365.521 4.557 0 1 FJAF O=C(c1cccc(Cl)c1Cl)N1CCn2c(-c3ccccc3)cnc2C1 68247207 JOMOZKWFRBREPO-UHFFFAOYSA-N 372.255 4.513 0 1 FJAF CCOc1ccc(-c2nc(CNC[C@@H]3CC[C@H]4C[C@@H]3C4(C)C)co2)cc1 72102191 NXOWBDRLTYIXFU-ZWOKBUDYSA-N 354.494 4.902 0 1 FJAF C[C@H]1C=C[C@H]([C@@H](O)CC(=O)CCc2ccc(O)c(OC3CCCC3)c2)CC1 85629247 ZSDHBKWEFFUPKB-ZJBJCVSYSA-N 372.505 4.569 0 1 FJAF biogenic,in-vitro O=C(O)c1ccc(Nc2nccc(Nc3ccccc3C(F)(F)F)n2)cc1 87723782 QFNWNXOHCUAEBM-UHFFFAOYSA-N 374.322 4.681 0 1 FJAF in-vitro Fc1cccc(Cl)c1[C@H]1C=C(c2cccc(Cl)c2)Nc2ncnn21 101962152 XHIYZOFSKZYPHO-OAHLLOKOSA-N 361.207 4.780 0 1 FJAF CC1=C(c2ccccc2)C(=O)N(C(C)(C)c2nc3cc(F)ccc3s2)C1 103183620 XSULEJKHLYSWID-UHFFFAOYSA-N 366.461 4.986 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Cc2ccc(F)cc2)C1 103251180 FEMUMJGMWHWYBP-CYBMUJFWSA-N 367.342 4.612 0 1 FJAF C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1ccc(F)cc1 142437099 RVUMKKBNJWVXNL-NSHDSACASA-N 370.251 4.951 0 1 FJAF O[C@H](CN1CCCCC1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334777 BUGIPFYBCXVFHS-JOCHJYFZSA-N 368.427 4.699 0 1 FJAF COc1cncc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c12 586975046 JJIOLUQESZFELP-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF CC(C)Oc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586995780 OQDJHUXQJHTTKF-UHFFFAOYSA-N 374.282 4.767 0 1 FJAF OCc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2c1 587094598 DFLLMGXCTPTQNL-UHFFFAOYSA-N 360.257 4.760 0 1 FJAF Fc1cccc([C@H]2C[C@H]2c2nc3c(Br)cnc(Cl)c3[nH]2)c1 587160928 IODFNYVYJBEETM-NXEZZACHSA-N 366.621 4.784 0 1 FJAF O=C(Cc1cc2c3c(cccc3n1)CC2)c1ccc(Br)cc1 587208148 MAYCVFUPSWZEIM-UHFFFAOYSA-N 352.231 4.521 0 1 FJAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354698 RAXBCYVSCJJNHH-MIIQBPMZSA-N 364.416 4.695 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(-c3ccc(Cl)cc3)no1)O2 587378388 BSVAXNPQBBLVOE-FQEVSTJZSA-N 368.820 4.766 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3cccc(C(=O)O)c3)cc1)O2 587408246 OJYAKIHXALEPFJ-NRFANRHFSA-N 373.408 4.649 0 1 FJAF COc1cc2c3c(c1)O[C@@H](C(C)(C)Sc1ccc(C)cc1)[C@@H](C2)C3=O 587447763 FMMDKTBYZSDEFW-OXJNMPFZSA-N 354.471 4.691 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccc(F)cc1)(c1ccco1)CC2=O 587465084 AFPZGWYUIBZBPT-QFIPXVFZSA-N 366.388 4.986 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C)ccc1OC(F)F)CC2=O 587465572 IKBHDSQHORBOEG-GOSISDBHSA-N 362.372 4.961 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(F)ccc(Cl)c31)CC2=O 587472901 WNKQTWQXAHSHNO-FQEVSTJZSA-N 360.812 4.944 0 1 FJAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(O)ccc2O1 587535993 PUGKZIFMAGHEAX-QHCPKHFHSA-N 364.441 4.693 0 1 FJAF CSCc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)o1 587613009 MEPWRRKZZVMSJA-FXAWDEMLSA-N 368.410 4.551 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)cc(Cl)c2)N1 587696239 DQBYNMRLCFKVHX-ZKANADHPSA-N 370.649 4.571 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@@H](C)Cc3ccc(F)c(Br)c31)[C@H](C)C2 587818823 FSNYJCIDVYVWIK-MTJIALIYSA-N 374.297 4.867 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@@]3(c2cccnc2)c2ccco2)cc1 962671752 SOHQNRZNAWYUPX-XMMPIXPASA-N 352.437 4.779 0 1 FJAF CCCCCC=CCCCCCCCCCCC(=O)OC[C@@H](O)CO 2356629823 RNIUPZYYTVVUNU-FQEVSTJZSA-N 356.547 4.920 0 1 FJAF CCCCc1ccc(CCc2ccc(CN3CCC[C@@H]3CO)cc2)cc1 2382243931 ACQIGLUUEVKPRK-XMMPIXPASA-N 351.534 4.771 0 1 FJAF CCC(=O)N(c1ccccc1)C1CCN(CCCc2ccccc2)CC1 32264806 CKBFKWWOUYBCRH-UHFFFAOYSA-N 350.506 4.527 0 3 FJAF c1ccc(CN2CCN3C[C@H](c4ccccc4)c4ccccc4[C@@H]3C2)cc1 25964265 GYLOKBQKBMWTMJ-RPBOFIJWSA-N 354.497 4.691 0 1 FJAF N[C@H](COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1 26663167 UYZIPLMTFSGKAJ-OAHLLOKOSA-N 363.301 4.941 0 1 FJAF C[C@@H]1CCCN(CC[C@@H](C)[C@@H](C)S(=O)(=O)c2cccc3ccccc23)C1 27640306 NSIUOUDAPUEWFM-GUDVDZBRSA-N 373.562 4.760 0 1 FJAF CC[C@]1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F 36479020 AOYFAIZUGKHXQU-KRWDZBQOSA-N 352.331 4.889 0 1 FJAF Cc1cccc([C@H]2N=C(NCc3cccc(F)c3)N[C@@H]2c2cccc(C)c2)c1 43021063 ILWIFXREUGXHMS-DHIUTWEWSA-N 373.475 4.974 0 1 FJAF Cc1cc(CNCCCCCCNCc2ccc(Cl)cc2)ccc1O 45188672 PICUHPFQAUVYCE-UHFFFAOYSA-N 360.929 4.794 0 1 FJAF CCCc1nc2c(NCCc3cccc(F)c3)ncnc2n1C[C@H](C)CC 82179710 LOAOSTZRRVWDQF-OAHLLOKOSA-N 369.488 4.619 0 1 FJAF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1cccc2ccccc12 101444643 XVAVJGIUMJWANK-FGZHOGPDSA-N 370.496 4.765 0 1 FJAF CCCC[C@H](C)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169316674 HOCKHWOFIRTBOW-GHZVLLFLSA-N 352.515 4.750 0 1 FJAF Cc1nc2c(s1)[C@@H](C(=O)NCc1c(C)cc(Cl)cc1Cl)CCC2 220875689 RZSNPEBJVUTBCZ-LBPRGKRZSA-N 369.317 4.803 0 1 FJAF C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC[C@H]2c1ccncn1 253975547 OPZZGUYTLJJHBP-JSDYAUHVSA-N 352.522 4.884 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(Br)c(F)cc3[nH]2)cc1 586889723 MQDSRCUILLVTKS-QLJPJBMISA-N 363.230 4.610 0 1 FJAF OCCCCCCCCCCCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3 586894646 PYUCOVAKMSHABD-UHFFFAOYSA-N 368.424 4.930 0 1 FJAF OCc1ccc(-c2nc3c(Br)cc(C(F)(F)F)cc3[nH]2)cc1 586895248 BYMJYVQBNNRPNK-UHFFFAOYSA-N 371.156 4.504 0 1 FJAF COc1ccc2nc(/C=C/c3ccc(Br)c(OC)c3)[nH]c2c1 586975426 CMRHLXIQCQLFAO-XBXARRHUSA-N 359.223 4.513 0 1 FJAF Brc1nc(-c2nc3cnc4ccccc4c3[nH]2)c(C2CC2)s1 587013318 UOMPEHGVOFBKOB-UHFFFAOYSA-N 371.263 4.875 0 1 FJAF COc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1F 587050733 LGFNGRWPRQCZBF-UHFFFAOYSA-N 361.804 4.626 0 1 FJAF Cc1cnc(Cl)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587073346 GPHOFOPGPCEIAB-CQSZACIVSA-N 361.276 4.910 0 1 FJAF FC(F)(F)COc1nc(C(F)(F)F)ccc1-c1nc2ccccc2[nH]1 587091000 FFKNKPGAMNFOCR-UHFFFAOYSA-N 361.245 4.585 0 1 FJAF Cc1c(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)cc(-c2ccc(F)cc2)n1C 587166372 RHNFQNWETBKVGL-UHFFFAOYSA-N 374.419 4.568 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4)cc1F)[C@@H](C2)C3=O 587426452 NZCNJNIJMIRBTK-MBSDFSHPSA-N 360.384 4.990 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1nc(Cl)ccc1Cl)CC2=O 587460750 JNFRAYCDZUTOAA-CQSZACIVSA-N 352.217 4.753 0 1 FJAF C[C@H]1C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(F)ccc2O1 587504310 GZHCVXNRZDRCRA-WHEQGISXSA-N 352.405 4.736 0 1 FJAF O=C1C[C@H](c2coc3cc(F)ccc3c2=O)Oc2c1ccc1c2CCCC1 587506624 KZWAORDYGDKDRS-HXUWFJFHSA-N 364.372 4.517 0 1 FJAF COc1cc(C)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587523547 KCFORHZZHLNCOH-IBGZPJMESA-N 352.430 4.598 0 1 FJAF C[C@H](c1ccc(F)cc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587567744 BPUAYTZHDMMSHO-NHLCRCCNSA-N 364.372 4.665 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(F)cc2)N1 587737089 WDUNCEDTLBGUNR-BONVTDFDSA-N 352.222 4.545 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc3c(c2)CCC3)N1 587814670 HWRCVHWXYJSGEX-ODXCJYRJSA-N 374.297 4.875 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(CCc2ccccc2)N1 587814990 XKSOAYNKPZPXEL-DJJJIMSYSA-N 362.286 4.970 0 1 FJAF COC(=O)c1cc2[nH]c(/C=C\c3cccc4ccccc34)nc2cc1OC 587969694 VGWJRWDYUNWEFD-KHPPLWFESA-N 358.397 4.682 0 1 FJAF O=C(c1c(O)cc(Cl)cc1Cl)N1CC[C@@H](CCc2ccccc2)C1 1857556003 GSZQRVQQVRTQQJ-CQSZACIVSA-N 364.272 4.794 0 1 FJAF Oc1ccc2ncnc(Nc3ccc(OCc4ccccc4F)cc3)c2c1 1857588117 YLHYOTYJJNEBFX-UHFFFAOYSA-N 361.376 4.797 0 1 FJAF O=C(O)c1cc2c(Nc3ccc(F)c(OC(F)(F)F)c3)ccc(F)c2[nH]1 2382238937 IPQTYRWVLVEUOG-UHFFFAOYSA-N 372.249 4.787 0 1 FJAF CCCCCC(=O)CC[C@@]1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 1842625 UDNUCVYCLQJJBY-ZRBLBEILSA-N 357.538 4.846 0 1 FJAF in-man COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C)c4C1)CCC5)C3)CCC2 1855685 FHZPQVBIVBUFQS-SANMLTNESA-N 372.508 4.643 0 1 FJAF COc1cccc(-c2cnc(Nc3ccc(-c4cnco4)c(OC)c3)o2)c1 3594946 KJURYJBYCZYPOR-UHFFFAOYSA-N 363.373 4.757 0 1 FJAF C[S@@](=O)c1nc(-c2ccc(Cl)c(Cl)c2)c(-c2ccccc2)[nH]1 28219341 UJJIZQAVQAYTHS-QFIPXVFZSA-N 351.258 4.788 0 1 FJAF CCCc1nc2c(NCCCc3ccccc3)ncnc2n1C[C@@H](C)CC 82180056 BMRPHAYQGFGKOI-KRWDZBQOSA-N 365.525 4.870 0 1 FJAF C1=C(c2ccccc2)CCN(CC[C@H]2CC[C@H](Nc3ncccn3)CC2)C1 100052824 BDHDIEVXYUODTG-IQGASKDCSA-N 362.521 4.627 0 1 FJAF CCCCc1nc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc2c(=O)[nH]1 100424388 IBFWFBBMKHKMIA-ZHACJKMWSA-N 370.456 4.826 0 1 FJAF COc1ccc(C2=NN(c3nc(O)cs3)[C@@H](c3ccc(C)cc3)C2)cc1 169726258 OKVRNRWIIFDYEJ-GOSISDBHSA-N 365.458 4.521 0 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4.793 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(F)c(C(F)(F)F)c1F)O2 587380138 BGQUSGQPGMNJRG-CYBMUJFWSA-N 357.278 4.581 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1SC(F)(F)F)O2 587382526 MRXUVGLIZKXNPW-AWEZNQCLSA-N 353.365 4.896 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCOc4ccc(C(C)C)cc41)[C@@H](C2)C3=O 587449353 BGWKSSCKKVILAW-FDDCHVKYSA-N 364.441 4.634 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)([C@@H](C)c1ccc(OC)cc1)CC2=O 587476763 FSLURDBVTBPUKH-RCDICMHDSA-N 354.446 4.881 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(OC(C)(C)C)n1)CC2=O 587487743 NPPYFZQJAZDYQV-GOSISDBHSA-N 355.434 4.624 0 1 FJAF COc1ccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1OC 587496127 BPBIUWSBVIFBEL-SFHVURJKSA-N 372.848 4.943 0 1 FJAF O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2cc(Cl)c(F)cc12 587631733 KNMWGMMNFFLRCI-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF COc1ccccc1NC(=O)c1nc2cc(C(F)(F)F)ccc2s1 1857635267 RPQVEKYESLRNQI-UHFFFAOYSA-N 352.337 4.576 0 1 FJAF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(CCC3CCCC3)c(O)c21 1857652071 UJXNYBIJNNFBDK-LJQANCHMSA-N 368.429 4.633 0 1 FJAF CCC(CC)N=c1[nH]c(=Nc2ccc(F)c(Cl)c2)[nH]c2ccccc12 1857767933 MMMLOSDFXADVIH-UHFFFAOYSA-N 358.848 4.610 0 1 FJAF COc1ccc(C=CC(=O)O)cc1CC=C(C)[C@@H](CC=C(C)C)OC(C)=O 2356518004 BNKBJTGWXDOAKC-HXUWFJFHSA-N 372.461 4.570 0 1 FJAF CC=C(C)C(=O)O[C@]1(C)CCC2=C(C(C)C)[C@H](OCC)C[C@]2(C)CC1=O 2356692092 JAFLAPVIZWDZGL-ZPMCFJSWSA-N 362.510 4.775 0 1 FJAF O=C1c2ccccc2N2C=Cc3c([nH]c4cc(Br)ccc34)[C@@H]12 2356865276 WKJJJDRTDOCTBM-KRWDZBQOSA-N 351.203 4.659 0 1 FJAF Cc1ccc(-n2cc(CN(C)Cc3ncc[nH]3)c(-c3cccc(C)c3)n2)cc1 13596105 NGHHORJGYXYTFP-UHFFFAOYSA-N 371.488 4.511 0 3 FJAF COc1ccc(-c2ccccc2-c2cc(OC)c(OC)c(OC)c2)cc1O 13608705 CRAZEGHIBGEAPB-UHFFFAOYSA-N 366.413 4.761 0 1 FJAF Cc1nn2c(O)cc(-c3ccc(Cl)cc3)nc2c1-c1ccc(F)cc1 14163606 YMUJNSAZTKKDIY-UHFFFAOYSA-N 353.784 4.870 0 1 FJAF CC[C@H](C)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 34212574 RPIWNKCKNAVMOS-ZWGZPNPDSA-N 359.554 4.739 0 1 FJAF CCCC[C@@]12C[C@]1(C(=O)OCC=C(C)C)C(=O)Nc1ccc(Cl)cc12 34821526 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364.302 4.774 0 1 FJAF CCC[C@@]1(Cc2ccco2)N[C@H](C)Cc2cc(Br)c(F)cc21 587828395 NBHCKZXLHBMJCN-XIKOKIGWSA-N 366.274 4.954 0 1 FJAF Cc1c(F)ccc2c1[C@@]1(CCCc3c1[nH]c1ccc(Cl)cc31)NCC2 962376485 PNEYJNKXLIDJKD-OAQYLSRUSA-N 354.856 4.994 0 1 FJAF Clc1cc(Cl)c2c(c1)[C@@H](c1ccnc(-c3ccccc3)n1)NCC2 963120506 JAAGNAPSSLQJGR-SFHVURJKSA-N 356.256 4.686 0 1 FJAF COc1ccccc1[C@]1(Cc2ccccc2)NCCc2cccc(Cl)c21 963390842 NMCKQDXHEJUCMA-QHCPKHFHSA-N 363.888 4.981 0 1 FJAF Cc1c(-c2ccc(-n3cc(F)c(F)c3)cc2)[nH]c2cc(F)cc(F)c2c1=O 1772627462 QLIGGYFOVKHNSC-UHFFFAOYSA-N 372.321 4.851 0 1 FJAF CCCCOc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4CC)c2c1 1857594290 VCLQHBRNIORBRK-BSWISCRUSA-N 368.521 4.568 0 1 FJAF N=c1[nH]nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)s1 1857645585 HOCAJFPETJDTAE-UHFFFAOYSA-N 352.246 4.503 0 1 FJAF CN(C)Cc1ccccc1-c1ccc(NCCCN2CCCCC2)cc1 1857653330 FHRGMALGBACXNK-UHFFFAOYSA-N 351.538 4.703 0 1 FJAF COCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]32)C1 263591523 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QHDSKRIKCSJHMF-UHFFFAOYSA-N 351.624 4.921 0 1 FJAF CCOc1cc(/C=C\c2nc3cc4cn[nH]c4cc3[nH]2)ccc1OC(F)F 587130307 KRDLVLZBRKQYQS-XQRVVYSFSA-N 370.359 4.610 0 1 FJAF Cc1ccc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)o1 587358533 WOCTUXFMVNDEIL-PZJWPPBQSA-N 352.361 4.707 0 1 FJAF CSc1ccc(C(=O)CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587409543 HWUCESUMNDJGBP-NRFANRHFSA-N 369.486 4.686 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)c(F)c1)[C@@H](C2)C3=O 587428426 ZHQATDYTYILZJA-FDDCHVKYSA-N 360.384 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccc(OCc4ccccc4)c1)[C@@H](C2)C3=O 587443279 NHYQXRCKLVRIBR-RDPSFJRHSA-N 372.420 4.763 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3nc(C)ccc3o1)CC2=O 587480654 DUPSWOGUEIJSTE-NRFANRHFSA-N 351.402 4.675 0 1 FJAF CCCCSc1ncc([C@@H]2CC(=O)c3ccc(O)c(CCC)c3O2)cn1 587491108 IGQCCRUWYLEKJL-SFHVURJKSA-N 372.490 4.733 0 1 FJAF CC1(C)[C@H]2CC[C@]1(C)[C@]1(CC(=O)c3ccc4c(c3O1)CCCC4)[C@@H]2N=O 587505398 MALGNQQUAFEIHQ-NHRGSCSFSA-N 353.462 4.861 0 1 FJAF Cn1nc(-c2cccs2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587530656 GMTUEMVWBIADTG-IBGZPJMESA-N 364.470 4.734 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc(F)cc(F)c2)N1 587730058 IGLGGEGHISIGHE-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2cccc(F)c2)N1 587735566 XTOKWJFNLCGOJS-ZMZPIMSZSA-N 366.249 4.719 0 1 FJAF CCOc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1 587800343 FTIJJDSVHWSRBL-BBATYDOGSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@H]3C=C[C@H]2CC3)N1 587817483 CMEXDSMQFFKQOZ-BLGBQTEISA-N 364.302 4.940 0 1 FJAF COc1ccc2c(c1)[C@@H](c1ccc([C@@H]3CCCCO3)o1)N(C(C)C)CC2 962093888 QMRIUFQFSQJODB-UGKGYDQZSA-N 355.478 4.886 0 1 FJAF Cc1cc2c(cc1F)[C@]1(CCCc3[nH]c4ccc(Cl)cc4c31)NCC2 962146279 NTICZSKCTOCFOQ-NRFANRHFSA-N 354.856 4.994 0 1 FJAF Cn1nc(C(F)F)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1Cl 962667019 UPQDXKXTQCOJFR-QGZVFWFLSA-N 373.834 4.913 0 1 FJAF Cc1cc2nc(-c3cc(Cl)cc(Br)c3O)[nH]c2cc1C 1857761043 MTNPLNGXERERJI-UHFFFAOYSA-N 351.631 4.968 0 1 FJAF Cc1c(CN2CCc3c([nH]c4ccccc34)[C@@H]2C2CCCCC2)cnn1C 13594342 IUXHWXRWZOTHRS-QHCPKHFHSA-N 362.521 4.890 0 3 FJAF O=C1[C@@H](n2ccc3ccccc32)c2ccccc2N1Cc1ccc(Cl)nc1 206027400 SQUUKENVAIHINC-NRFANRHFSA-N 373.843 4.826 0 3 FJAF COc1cccc(-c2csc(-c3cc(C(=N)N)sc3SC)n2)c1 2007207 HFUGBKCICWUZIJ-UHFFFAOYSA-N 361.517 4.553 0 1 FJAF C[C@]12CC[C@@H]3c4cc(OCC(F)(F)F)c(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 5541180 SEJLRFOCUWYOPK-SSTWWWIQSA-N 370.411 4.550 0 1 FJAF COc1ccc(Cn2nc(-c3ccc(Cl)cc3Cl)nc2S)cc1 13536880 DYGOJPOFPDPJCP-UHFFFAOYSA-N 366.273 4.598 0 1 FJAF COc1ccc2c(c1)O[C@@H]1c3c(cc(O)c(CC=C(C)C)c3OC)OC[C@H]21 14819623 XJMQUTIYKFBASW-ZHRRBRCNSA-N 368.429 4.528 0 1 FJAF biogenic N=c1sc2cc(OC(F)(F)F)ccc2n1CCSc1ccccc1 26720152 DUYAMQPUEVOCHF-UHFFFAOYSA-N 370.421 4.873 0 1 FJAF Fc1ccc(-c2nc3ccccn3c2-c2ccnc(NC3CCCC3)n2)cc1 28703267 LFAOAOFMOZLDCM-UHFFFAOYSA-N 373.435 4.952 0 1 FJAF CCC(=O)[C@@H]1[C@@H](c2ccc3c(CC)c(OC)ccc3c2)C[C@@H]2CC[C@H]1N2C 29321241 AEOXYMZMDLKZPQ-FCIXZNIRSA-N 365.517 4.956 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@@H]1CC[C@H]1[C@H]3CC[C@@]4(CCCO4)[C@@]3(C)CC[C@H]12 29412839 CAJALTAVRYNFRC-ZQPKRWIZSA-N 359.554 4.789 0 1 FJAF OC1CCN(c2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)CC1 53243198 NHIUBUZKCQZTGK-UHFFFAOYSA-N 371.440 4.518 0 1 FJAF COc1ccc2c(c1C)NC(=O)[C@@]2(c1ccc(O)cc1)C1CCCCC1 64540039 HICPQXZSWSUKQM-JOCHJYFZSA-N 351.446 4.528 0 1 FJAF COc1ccc(Cl)cc1-c1cc(N[C@H]2CCc3ccccc32)ncn1 82161329 WLHXHEGJVLYXJD-KRWDZBQOSA-N 351.837 4.905 0 1 FJAF CCOC(=O)C1=CN(Cc2ccccc2)C=C[C@@H]1c1cccc(Cl)c1 103079513 XNVRJZOGHHBUMT-LJQANCHMSA-N 353.849 4.900 0 1 FJAF Cc1cc(-c2cc3c(C(=O)O)c[nH]c3cc2Cl)ccc1C1(O)CCC1 219340984 XATISPHWPHLPMY-UHFFFAOYSA-N 355.821 4.866 0 1 FJAF O=C1NCCc2[nH]c(-c3cccc4ccc(Sc5ccccc5)nc34)cc21 222372128 ANPJHKVBDUXPEB-UHFFFAOYSA-N 371.465 4.667 0 1 FJAF O=c1c2cn(Cc3ccccc3)c3ccccc3c-2nn1[C@H]1C[C@H]2CC[C@H]1C2 299808280 NUBAMRDDDMGSCF-SPEDKVCISA-N 369.468 4.712 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@@H]3[C@H]1CCOC1 586992055 SFCLRQBNNKXFIS-UONOGXRCSA-N 371.436 4.608 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3ccc(Cl)cc3[nH]2)[C@@H]1c1ccccc1Cl 587062630 YVWOYFJALMHOPD-ACJLOTCBSA-N 374.271 4.947 0 1 FJAF N[C@@H](Cc1c[nH]c2cc(Cl)ccc12)c1nc2cc(Cl)cc(F)c2[nH]1 587080528 PZDDZBLLXUFBSA-ZDUSSCGKSA-N 363.223 4.733 0 1 FJAF CCOC(=O)[C@@H]1Cc2c(nc3cccc4c3c2-c2ccccc2C4=O)[C@H](C)C1 587108228 XPNDQGNNCPLTTI-KGLIPLIRSA-N 371.436 4.675 0 1 FJAF CCc1cc(CC)c([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(CC)c1 587446418 WOFUQHUKQJYKIC-WZONZLPQSA-N 350.458 4.871 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCc1cccc(C(C)=O)c1F)CC2=O 587466701 NMSURUUQLATILP-OAHLLOKOSA-N 370.420 4.653 0 1 FJAF Cc1nc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587495581 DCKRLSTTYDFIBA-SFHVURJKSA-N 372.262 4.738 0 1 FJAF O=C1C[C@H](c2csc(-c3ccco3)n2)Oc2c1ccc1c2CCCC1 587535540 MFYGZGUUKTUVLW-GOSISDBHSA-N 351.427 4.988 0 1 FJAF Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587559100 VYHQMYXLSGUTOA-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1cccc2ncccc12 587590426 ZZQHCKKUUBTFNZ-REWPJTCUSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2OC12CCc1ccccc1CC2 587603111 KZSOIRMTXJTFLZ-OAQYLSRUSA-N 372.420 4.672 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2cccc3cnccc23)N1 587775969 APJNVBDMBMHGOW-WYRIXSBYSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)([C@H]2C[C@@H]3C=C[C@H]2C3)N1 587818533 ILOPIXBKEZRLNQ-GDNUXHISSA-N 350.275 4.550 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3ccc(Br)cc3[nH]1)CC2 587934279 IMURNLLTAWQABN-GFCCVEGCSA-N 357.251 4.607 0 1 FJAF COc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)co2)cc1OC 621429858 BDUWWFWUKRRFOY-CYBMUJFWSA-N 369.392 4.594 0 1 FJAF CCOC(=O)CCC[C@]1(C2CCCC2)N[C@@H]2CC[C@H]2c2ccc(OC)cc21 962992446 GKBBEBVVIITJEI-XKCSPQBFSA-N 371.521 4.663 0 1 FJAF CC(C)(C)OC(=O)c1cccc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c1 963101969 JRZYTIZFWRXQPH-WIYYLYMNSA-N 367.464 4.891 0 1 FJAF Oc1c(Br)cc(NCc2ccccc2)cc1Br 1772577672 JUXDVHIRMOTCOP-UHFFFAOYSA-N 357.045 4.529 0 1 FJAF S=C1NN2C(c3ccccc3)=C[C@H](c3ccc(Cl)cc3)N=C2S1 1857762508 WRVZAVPTQQYVPA-CQSZACIVSA-N 357.891 4.630 0 1 FJAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cccc3cccnc23)cs1 61905506 KTEOQQQGRBQAPK-SFHVURJKSA-N 354.381 4.718 0 3 FJAF COc1ccc(Nc2c(CCc3ccccc3)nc3nc(C)cc(C)n23)cc1 95570067 RPGDHUGNDZASLK-UHFFFAOYSA-N 372.472 4.884 0 3 FJAF COc1ccc2c(c1)[C@@H](CCNC(=O)C1CCC1)C[C@@H](c1ccccc1)C2 3990789 CHNMYFQAXCNAFN-SFTDATJTSA-N 363.501 4.815 0 1 FJAF Cc1occc1C(=S)Nc1ccc(Cl)c(C(=O)O[C@H](C)C2CC2)c1 13474505 SQEXNUNPTRMKMI-SNVBAGLBSA-N 363.866 4.984 0 1 FJAF CCC[n+]1c(/C=C/c2c(OC)cc(OC)cc2OC)ccc2ccccc21 17063658 HTKARICGWUKCDH-OUKQBFOZSA-N 364.465 4.734 0 1 FJAF Cc1ccc(/C=C(/NC(=O)c2ccccc2)c2nc3ccccc3[nH]2)cc1 17195032 JBXRJXORKDOBEU-RCCKNPSSSA-N 353.425 4.799 0 1 FJAF COc1cccc2c1C(CCCN1CCN(c3ccccc3)CC1)=CCC2 25987421 PLKWFBNSIMCFTD-UHFFFAOYSA-N 362.517 4.627 0 1 FJAF Cc1cc(C(=O)O)cn1Cc1cc(Cl)ccc1OCc1ccccc1 29128871 BEPSWSOFMIKFDW-UHFFFAOYSA-N 355.821 4.775 0 1 FJAF C[C@H]1C[C@H](OC[C@@H](O)CN2CCC(Cc3ccccc3)CC2)CC(C)(C)C1 33526448 QWQRGWMBWMYNRI-VJBMBRPKSA-N 373.581 4.533 0 1 FJAF COC(=O)C/C=C/[C@H](C)[C@@H](OCc1ccccc1Br)C(C)C 34148520 ZNXUGWNPKPHYLU-YMEIAPRGSA-N 369.299 4.746 0 1 FJAF CN(C)CC[C@]1(c2ccc(-c3ccccc3)cc2)Cc2ccccc2C(=O)O1 53246856 OOHAGGVXCUXHDP-RUZDIDTESA-N 371.480 4.914 0 1 FJAF CC(C)(C)Cc1c[nH]c(C[C@@](C)(O)c2ccc(-c3ccc(F)cn3)cc2)n1 66074749 SQDJZWNPXIGNRP-JOCHJYFZSA-N 367.468 4.650 0 1 FJAF Cc1cccc(-c2nc(N3C[C@@H](C)C[C@H](C)C3)ncc2-c2ncc(C)o2)c1 82173380 LZFOQMYXTKOSTE-HOTGVXAUSA-N 362.477 4.898 0 1 FJAF Cc1ccccc1/C(=C1/C(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 84732307 OELOPFDNUFWHKR-MRCUWXFGSA-N 351.409 4.783 0 1 FJAF CCc1ccc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cc1 140140676 SYBREERITNUZIG-UHFFFAOYSA-N 366.468 4.858 0 1 FJAF CN(C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C)c1ccccc1 169316021 QBSLGQKCSOHHBR-WOZUAGRISA-N 368.908 4.569 0 1 FJAF CC[C@@H]1CCC(=O)N1c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12 219442171 LRJYXRIINFMDRS-OAHLLOKOSA-N 364.449 4.618 0 1 FJAF Cc1cc(C)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc2c1 586997841 DCLLCFNHXZOHBY-ONEGZZNKSA-N 371.234 4.841 0 1 FJAF Cc1cc(Cl)ccc1-n1cccc1-c1nc2cc([C@@H](N)N=O)ccc2[nH]1 587067158 WDDJYRDKHOQPCD-SFHVURJKSA-N 365.824 4.706 0 1 FJAF COC(=O)C[C@@H]1Cc2c(nc3c(C)ccc4c3c2-c2ccccc2C4=O)[C@@H]1C 587097682 NORXYQFULLLUCP-KGLIPLIRSA-N 371.436 4.594 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cc3c(cc2[nH]1)OCCCO3 587171905 UYTHDXPHPLTVFS-LBPRGKRZSA-N 358.438 4.759 0 1 FJAF Cc1c(F)ccc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c12 587203346 LXGRGZDZENNESB-UHFFFAOYSA-N 368.412 4.527 0 1 FJAF COc1cccc(-c2c(CCC(=O)O)c(C)nc3c2oc2ccccc23)c1 587365574 HKEDNASTZNZDQU-UHFFFAOYSA-N 361.397 4.982 0 1 FJAF COc1cc(-c2ccccc2)ccc1[C@H]1CC(=O)c2cc(C)cc(N)c2O1 587398188 CWWASPYUAUQJPI-JOCHJYFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCCCCC4)cc1)[C@@H](C2)C3=O 587440490 AJEZTBGSGLNYRQ-WMZHIEFXSA-N 363.457 4.564 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(C(=O)c1cccc(Cl)c1)CC2=O 587463269 UVVQUCCTSWKAFK-HXUWFJFHSA-N 358.821 4.605 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ncc(C(F)(F)F)s1)CC2=O 587464757 XIZZZCOPBFSZDA-LBPRGKRZSA-N 357.353 4.527 0 1 FJAF CCc1ccc2c(c1)CC[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603344 MIVOGZDSXFDDFP-QPPBQGQZSA-N 372.420 4.758 0 1 FJAF Cc1ccc([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587724696 LHZGZTCZFRYWNI-ADLMAVQZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)([C@H]2C[C@H]3C=C[C@H]2CC3)N1 587817486 CMEXDSMQFFKQOZ-SODNPDMKSA-N 364.302 4.940 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2C[C@H]3C=C[C@@H]2C3)N1 587820405 PFFSRPRHHRGPBB-FYMKNAMNSA-N 350.275 4.550 0 1 FJAF COc1cccc([C@H](C)Cc2nc3cc(C)cc(Br)c3[nH]2)c1 587929996 FAAFQAIVKOFWAQ-GFCCVEGCSA-N 359.267 4.989 0 1 FJAF COc1ccc(/C=C\Cc2nc3cccc(C(F)(F)F)c3[nH]2)c(OC)c1 587930253 RQAIZFKXPXIVAI-HYXAFXHYSA-N 362.351 4.855 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(-c2ccsc2)nc1 963039312 UQKFZUPFZTVXEG-OAQYLSRUSA-N 373.481 4.602 0 1 FJAF Oc1ccc2c(c1)[C@@H](c1cc(F)ccc1Oc1ccc(F)cc1F)NCC2 963340453 HPHYPNBXPVIMSB-NRFANRHFSA-N 371.358 4.837 0 1 FJAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@@H]2C3=CC(=O)N(CCO)C3=CC[C@]21C 2356322823 BSTAVZCXPLMHKH-LPIOMJDYSA-N 357.538 4.552 0 1 FJAF CC(=O)OC[C@H](C)c1cc2c(cc1O)[C@]1(C)CCCC(C)(C)[C@@H]1CC2=O 2356497114 ARKOXDSPJUWTIG-JYYJXNPCSA-N 358.478 4.729 0 1 FJAF CC1(C)[C@@H](O)CC[C@]2(C)C3=C(CC[C@@H]12)[C@]1(C)CC[C@@H](C(=O)CO)[C@@]1(C)CC3 2356780090 KUZAKLLYYNJTRA-SHPSYPHOSA-N 374.565 4.658 0 1 FJAF Cc1nn2c(c1-c1ccccc1)N=C1CCCC(=O)[C@H]1[C@H]2c1ccccc1 8672147 QIEXRHSKXRPESV-FCHUYYIVSA-N 355.441 4.903 0 1 FJAF Cc1[nH]c2cccc(NC(=O)NCc3ccc(Br)cc3)c2c1C 14973800 AJKNWZJAUHKJFK-UHFFFAOYSA-N 372.266 4.869 0 1 FJAF CCCCC[C@H](O)/C=C/CC[C@@H]1CCCc2c(OCC(=O)O)cccc21 26007877 JHZPIHBJWATKJV-XQLCALHGSA-N 360.494 4.848 0 1 FJAF CC(=O)Nc1cc2c(cc1C(C)C)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(=O)O 40973033 CRTVWJRIGZUHLV-CEMLEFRQSA-N 357.494 4.863 0 1 FJAF Cc1ccsc1C(=CCCN1CC[C@H]1CC(=O)O)c1sccc1C 49808602 ILUNJUIEAQIGBW-HNNXBMFYSA-N 361.532 4.797 0 1 FJAF FC(F)(F)c1cccc(Nc2cc3c(cn2)ncn3Cc2ccco2)c1 74388625 ZVXNOGRXISJEQV-UHFFFAOYSA-N 358.323 4.835 0 1 FJAF Cc1cccc(NC(=O)c2nn(C)c(-c3ccccc3)c2-c2ccccc2)n1 95605849 VGRIUVSGBIHHFJ-UHFFFAOYSA-N 368.440 4.710 0 1 FJAF c1cn(-c2ccc(Nc3ncnc4ccc(-c5cncs5)cc34)cc2)cn1 299851779 JQZFVAWTPLKKSF-UHFFFAOYSA-N 370.441 4.683 0 1 FJAF Cc1nn(-c2cccc(-c3nc4cc5cn[nH]c5cc4[nH]3)c2)c(C)c1Cl 587065395 PVIRTQSKPUXCOT-UHFFFAOYSA-N 362.824 4.562 0 1 FJAF Cc1cc(Br)c2[nH]c(CCC(=O)c3ccc(F)cc3)nc2c1 587163548 RFZHTPSSUDUQIA-UHFFFAOYSA-N 361.214 4.588 0 1 FJAF COC(=O)[C@@H]1CCc2nc3c(oc4ccccc43)c(-c3cccc(OC)c3)c21 587362285 IOODRYMYPKNJHE-MRXNPFEDSA-N 373.408 4.859 0 1 FJAF CC(C)[C@@H]1C[C@@]2(CS1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587372548 JPRVUTHWYJPUQI-ZVDOUQERSA-N 372.461 4.791 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccc(F)cc3F)o1)O2 587386702 WKHRGURJBGSOHP-LJQANCHMSA-N 355.340 4.822 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(C(F)(F)F)c1F)[C@@H](C2)C3=O 587418931 FEZFRLNAQJRKPL-SCLBCKFNSA-N 366.310 4.516 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccco1)(c1ccc(Cl)s1)[C@@H](C2)C3=O 587451493 OSNWEOAMXLTTBU-HXPMCKFVSA-N 372.829 4.694 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(-c4ccsc4)cs1)[C@@H](C2)C3=O 587453998 VVDULEYWWJJRDD-IFXJQAMLSA-N 354.452 4.974 0 1 FJAF Cc1ccc(-c2n[nH]cc2[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587528417 ZHYGVLUUWHCFMN-OAQYLSRUSA-N 358.441 4.970 0 1 FJAF Cc1cccc(OCc2nc3c(Br)cnc(Cl)c3[nH]2)c1C 587564439 RLYHKQQAFGJSGK-UHFFFAOYSA-N 366.646 4.570 0 1 FJAF Cc1cc(C)c(/C=C2\C(=O)Nc3ccc(-c4cnc5ccccc5n4)cc32)[nH]1 653753157 MIPVGLQYEXAMBL-BOPFTXTBSA-N 366.424 4.734 0 1 FJAF COc1ccc2c(c1)[C@](C)(c1ccc(C(F)(F)F)nc1)N(C(C)C)CC2 962091436 NRYAGMJSXLFCQI-IBGZPJMESA-N 364.411 4.639 0 1 FJAF COc1cc([C@H]2c3c(F)cccc3C[C@@H]3CCCN32)ccc1OC(F)F 963098691 GWTOPAHOEKKVDL-LIRRHRJNSA-N 363.379 4.546 0 1 FJAF CC(C)n1nc([C@H]2NCCc3c(Cl)cc(Cl)cc32)cc1C1CC1 963110182 PCYRYNPPWUQUGW-SFHVURJKSA-N 350.293 4.883 0 1 FJAF COc1ccc(-c2cccc(-c3nc4ccc(Cl)cc4[nH]3)n2)cc1OC 1911581533 HFGHZFCSXSMLPR-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF CCC[C@H](Nc1cncc(-c2ccc(O)c(OC)c2)n1)c1cccc(F)c1 3960734 LSSSSHDKQAFNQI-KRWDZBQOSA-N 367.424 4.950 0 1 FJAF CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](CN1CCCC1)C(C)(C)C 13446380 QVDJYGZIUPKDAR-QGZVFWFLSA-N 371.352 4.505 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CC[C@H]2CCCNC2)cc1 13780285 TUQGRYVTVRNIIC-MRXNPFEDSA-N 369.896 4.658 0 1 FJAF C[C@@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26388139 SSFLLJHYNMDQDP-KSWGRZJBSA-N 357.538 4.770 0 1 FJAF O=C(NC1CCCCCC1)c1cn(Cc2ccccc2)c2ccccc2c1=O 28962213 VRAAPPPBWYVIIW-UHFFFAOYSA-N 374.484 4.502 0 1 FJAF CC1=NC[C@@H]2CN[C@@H](c3ccccc3Cl)c3cc(Cl)ccc3C2=N1 29336642 FTUJAWMXZRHZFL-BLVKFPJESA-N 358.272 4.523 0 1 FJAF CC1=NC[C@H]2CN[C@H](c3ccccc3Cl)c3cc(Cl)ccc3C2=N1 29336654 FTUJAWMXZRHZFL-HXPMCKFVSA-N 358.272 4.523 0 1 FJAF O=C(Nc1nc2ccccc2c2cn(-c3ccccc3)nc12)c1ccsc1 40391860 IOTJCNWCBYCODJ-UHFFFAOYSA-N 370.437 4.888 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1CSCCc1ccccc1 40752742 ZLEMKOGTMZQMLN-PVWBMYPNSA-N 374.546 4.957 0 1 FJAF O=C(N1CC[C@@]2(CCCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1 43020543 VVKFKQIRBWHKSV-QFIPXVFZSA-N 365.904 4.878 0 1 FJAF O=C(c1ccccc1Br)c1nccc2c1[nH]c1ccccc12 66066538 BYPDPRDQBHGPRY-UHFFFAOYSA-N 351.203 4.710 0 1 FJAF COc1cc(C(=O)c2c(C3CCC3)[nH]c3ccccc23)cc(OC)c1OC 95594912 IGUXMQJMZUORQM-UHFFFAOYSA-N 365.429 4.692 0 1 FJAF O=C(c1ccc(Cl)cc1)c1c(-c2ccccc2)[nH]n(-c2ccccc2)c1=O 137709341 WEQLTEOXNHCQBM-UHFFFAOYSA-N 374.827 4.717 0 1 FJAF Cc1cccc(-c2ccccc2)c1-c1nc2ccc(C(=O)N(C)C)cc2[nH]1 586878112 BQZGNIDTLJRNKV-UHFFFAOYSA-N 355.441 4.907 0 1 FJAF Cc1nc(COc2cccc(-c3nc4c(Cl)ccnc4[nH]3)c2)cs1 587020448 STIZQVVAZHNJHC-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF Cc1nc(COc2cccc(-c3nc4ccc(Cl)nc4[nH]3)c2)cs1 587020714 XFLVCGUIWUZCHB-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF CC(C)(C)c1cccc2nc([C@H]3CS[C@H](Cc4ccccc4)N3)[nH]c12 587040520 HVTMSDHECPXYOL-QZTJIDSGSA-N 351.519 4.807 0 1 FJAF Clc1ccc(C2(c3nc4cc5c(cc4[nH]3)OCCCO5)CCC2)cc1 587074015 PPMZZKPSFJPARR-UHFFFAOYSA-N 354.837 4.848 0 1 FJAF Clc1cccc2c(-c3nc4cnncc4[nH]3)cc(-c3ccccc3)nc12 587082254 KVPXRBLMBLFASL-UHFFFAOYSA-N 357.804 4.889 0 1 FJAF CCn1cc(Cl)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)n1 587103556 JJPVFTCXLDDBQG-UHFFFAOYSA-N 359.816 4.983 0 1 FJAF Nc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cnc2c(F)cccc12 587176981 YDSYMJDQCOPNIJ-UHFFFAOYSA-N 364.277 4.657 0 1 FJAF Cc1c(-c2ccc(O)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587205646 AURSHZDXFPPVAV-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(O2)c2cc(Cl)ccc2SC[C@H]1C 587412415 BZKLWCRKNCSJAZ-WYRIXSBYSA-N 359.878 4.833 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc([C@@H](C)N(C)C)cc1)CC2=O 587467110 CLNHALSVVPITCA-SPLOXXLWSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3c(OC)cccc31)CC2=O 587480183 NUVAIVHLGWNZKY-JOCHJYFZSA-N 352.430 4.550 0 1 FJAF Nc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1Br 587501374 ILXFTNCCEZHDTK-SFHVURJKSA-N 372.262 4.617 0 1 FJAF Cc1cccc2[nH]cc([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587589030 MTDZXOZVOMJNDF-NFBKMPQASA-N 371.392 4.885 0 1 FJAF CCC[C@@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767829 BGJSTDTWDMBBMM-KPZWWZAWSA-N 363.274 4.561 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817543 MDFMPCLZHMTPDD-AFHCMHBOSA-N 352.291 4.774 0 1 FJAF CSc1cccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587841821 BVHMGQXAOQMDGA-QGHHPUGFSA-N 366.299 4.934 0 1 FJAF CC(C)CSC[C@@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587845548 NFIRPRHHJHWQHI-BDJLRTHQSA-N 360.336 4.727 0 1 FJAF N[C@H]1CCc2c(Cl)cccc2[C@]12NCCc1cc(-c3ccccc3)ccc12 962671866 XHHGKMDIKGBNBV-ZEQRLZLVSA-N 374.915 4.670 0 1 FJAF C[C@]1(Cc2ccc(F)cc2)c2cccc(F)c2CCN1[C@H]1CCSC1 962716689 VRMJZYKRAQGKKB-UWJYYQICSA-N 359.485 4.786 0 1 FJAF COc1cccc2[nH]ccc(=Nc3cc(-c4nc(C)ccc4F)ncc3C)c12 1772602524 JZIQEQUBVSUUPN-UHFFFAOYSA-N 374.419 4.622 0 1 FJAF CCCNC(=O)C1(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)CCC1 1911573583 UIZYWUYIFDOVIY-UHFFFAOYSA-N 370.880 4.540 0 1 FJAF COC(=O)CC[C@@]12C3=CCC[C@H]3CC[C@H]3CN[C@H]1[C@H](C(C)C)CC[C@]32C 2356486546 WDKKUOYIQZUWGE-TWVSWZBHSA-N 359.554 4.717 0 1 FJAF COc1ccc2c(c1)CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1 22931099 WJMFRRISHSNEGQ-HXUWFJFHSA-N 370.581 4.846 0 1 FJAF CCC(=O)N(c1ccc(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N1CCCC1 28238220 NRVOCEKOSKQIOD-SJORKVTESA-N 355.309 4.753 0 1 FJAF CC[C@H]1Cn2c(cc3cc(OC(C)=O)ccc32)-c2ccc(OC(C)=O)cc21 29328112 MSCYKGSOXJKYII-HNNXBMFYSA-N 363.413 4.666 0 1 FJAF O=C(CCCN1CCCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 40405752 MVKKLGNVARQKRP-UHFFFAOYSA-N 374.887 4.654 0 1 FJAF CC(C)CSc1cc2c(cc1Cl)C=C(C(=O)O)[C@@H](C(F)(F)F)O2 66252766 YBUPKAFNJNXZCU-ZDUSSCGKSA-N 366.788 4.879 0 1 FJAF CCOc1ccc(-n2cnc3cc(NCc4ccc(C)nc4)ccc32)cc1 95584320 IBYKLOHNGXSCRZ-UHFFFAOYSA-N 358.445 4.740 0 1 FJAF COC(=O)CC[C@H]1C(=C(C)C)CC[C@@H](C)[C@]12C[C@@H](c1ccoc1)OC2=O 140109310 GSXRUACJVUTUCK-BBTHKVSRSA-N 360.450 4.590 0 1 FJAF C[C@H](N)[C@@H](O)C[C@@H](O)CCCCCCCCCCCCC(F)(F)F 205200044 FCWDLWUCUISZQS-ULQDDVLXSA-N 355.485 4.689 0 1 FJAF O[C@@H]1C[C@H](c2nc3cc(Br)cc(Cl)c3[nH]2)c2ccccc21 586901903 JANDLCZPZCYYIV-SMDDNHRTSA-N 363.642 4.548 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4n[nH]cc4c3)nc3ccc(O)c1c23 586989673 OKEAQJVAJRGJNT-UHFFFAOYSA-N 363.376 4.695 0 1 FJAF Fc1cc2nc(-c3nc(Br)sc3C3CC3)[nH]c2cc1F 587013470 XMISIRVQKHKDHU-UHFFFAOYSA-N 356.195 4.605 0 1 FJAF Clc1nc(-c2nc3cc4c(cc3[nH]2)OCCO4)ccc1-c1ccccc1 587084306 XTGUNPLPIOCDSH-UHFFFAOYSA-N 363.804 4.717 0 1 FJAF COc1ccc(-c2nc3cc(Br)c(C)c(C)c3[nH]2)c(Cl)n1 587086462 KYJVDEDMYOETCY-UHFFFAOYSA-N 366.646 4.666 0 1 FJAF CCOC(=O)Cc1nc2c(C)ccc3c2c(c1C1CC1)-c1ccccc1C3=O 587096308 CFXQKOZIGNGHMS-UHFFFAOYSA-N 371.436 4.738 0 1 FJAF CCOC(=O)[C@H]1C[C@@H](C)Cc2c1nc1cccc3c1c2-c1ccccc1C3=O 587105613 AYMJZTRMIKWMMK-UGSOOPFHSA-N 371.436 4.675 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)c(F)cc2[nH]1 587163404 PEMRLTDTDRLSOZ-UHFFFAOYSA-N 352.315 4.878 0 1 FJAF Cc1cc(F)c2[nH]c([C@H](NC(=O)c3ccccc3)c3ccccc3)nc2c1 587221313 VUXFADRJEBAMBJ-LJQANCHMSA-N 359.404 4.530 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCOc3cc(Cl)cc(Cl)c31)O2 587380983 ZEDCGQPLTRWZOX-GOSISDBHSA-N 364.228 4.527 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3cc(F)c(F)cc3nc1Cl)O2 587386393 XVQGQYLYMJIHRA-QGZVFWFLSA-N 374.774 4.764 0 1 FJAF CC(C)[C@@H]1CCC[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587601300 CNWLKNWGUDYKEY-MPHOGZCYSA-N 352.430 4.939 0 1 FJAF Cc1ccc([C@]2(C3CC3)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587602041 IJBJDWRIQWYNHK-ZJSXRUAMSA-N 372.420 4.968 0 1 FJAF CCC[C@@]1(Cc2ccco2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587619781 ZDPUCJXCEVOKLF-KNQAVFIVSA-N 364.397 4.728 0 1 FJAF Cc1cc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc(C)c1O 587823853 WVGPXXQTNKCYPT-DIFFPNOSSA-N 364.258 4.534 0 1 FJAF COc1ccc(CCCc2nc3cc(Cl)c(F)c(F)c3[nH]2)c(OC)c1 587929478 VCXAQSIHDDPQJI-UHFFFAOYSA-N 366.795 4.687 0 1 FJAF O=C(Nc1cc(-c2cccnc2)cc(C(F)(F)F)c1)Nc1nccs1 653702407 GPBSHHPSHXCRCQ-UHFFFAOYSA-N 364.352 4.868 0 1 FJAF C[C@@]1(c2cccc3ccccc23)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729920 LASLBZLBSDMGQW-TZIWHRDSSA-N 369.386 4.749 0 1 FJAF COc1ccc2nc(C)cc(OCC(=O)c3ccc4ccccc4c3)c2c1 1772583989 ZNGFHDALRSYAER-UHFFFAOYSA-N 357.409 4.967 0 1 FJAF Cc1cc(Oc2nccc3occc23)ccc1-c1c(C)nc2cnccn12 1857541516 QKBXFUHRWRJTOQ-UHFFFAOYSA-N 356.385 4.947 0 1 FJAF CN(C)Cc1csc(NC(=O)Nc2ccccc2Oc2ccccc2)n1 61930352 MFRUGTUEYXIWFZ-UHFFFAOYSA-N 368.462 4.641 0 3 FJAF COc1ccccc1N1CCN(CCCC2=CCCc3ccccc32)CC1 13733285 PIZXFQUYIGDMKJ-UHFFFAOYSA-N 362.517 4.627 0 1 FJAF COc1ccc(-c2nc(Cc3ccc(Cl)cc3)sc2CC(=O)O)cc1 45367293 YGUWHKGGPRYCKD-UHFFFAOYSA-N 373.861 4.690 0 1 FJAF O=C1[C@H](c2ccccc2)C[C@@H](c2ccccc2)C(=O)N1Cc1ccccc1 73198969 TZOWOAQYYKFDQY-VXKWHMMOSA-N 355.437 4.513 0 1 FJAF CCOc1ccc(CN2CCCN(Cc3cc4ccccc4o3)CC2)cc1 84690805 OLDRRRUEILCXFX-UHFFFAOYSA-N 364.489 4.539 0 1 FJAF COc1ccc(C(SCCN)(c2ccccc2)c2ccccc2)cc1F 95582567 LAPHIUZIUYQUJZ-UHFFFAOYSA-N 367.489 4.818 0 1 FJAF C[C@H](COC(=O)c1cccc(Cl)c1)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C 96935057 INVUHUJWEGHPHC-HKAGCZBPSA-N 350.886 4.710 0 1 FJAF CN1[C@@H]2CC[C@@H]1[C@@H](C(=O)Oc1ccccc1)[C@H](c1ccc(Cl)cc1)C2 100773341 AAEKULYONKUBOZ-MDNKFWRPSA-N 355.865 4.512 0 1 FJAF O=C(O)c1cccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1 139220644 BQFFISHOXFXTNB-UHFFFAOYSA-N 363.398 4.925 0 1 FJAF CC(=O)N[C@@H](C)Cc1ccc(C2CN(c3ccc(C(C)(C)C)cc3)C2)cc1 149628848 YUNCIWYGSVOQIQ-KRWDZBQOSA-N 364.533 4.655 0 1 FJAF CC(=O)OC[C@]12CCCC=C1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](OC(C)=O)CC[C@H]12 253859959 MEHJFIPYSWVCTE-LDENHOCBSA-N 374.521 4.814 0 1 FJAF COC(=O)Nc1nc2cc(Sc3c(C)[nH]c4ccccc34)ccc2[nH]1 299822225 HTUDFSLOSQEIIN-UHFFFAOYSA-N 352.419 4.682 0 1 FJAF Oc1c(-c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)ccc2c1CCCC2 586898662 RUWBYFRJEOTNTM-UHFFFAOYSA-N 350.315 4.972 0 1 FJAF Cc1ncc(-c2nc3ccc(Cl)c(C)c3[nH]2)c(C)c1Br 586979209 SUBBVXXQUFSXCF-UHFFFAOYSA-N 350.647 4.966 0 1 FJAF CCOC(=O)c1ccc2nc(-c3coc(-c4ccccc4Cl)n3)[nH]c2c1 587060878 PWTQSHCNZGFIBS-UHFFFAOYSA-N 367.792 4.715 0 1 FJAF O=C1c2ccccc2-c2c(Cc3ccc4c(c3)CCO4)cnc3cccc1c23 587209999 ZZEYUGYCEZRRCO-UHFFFAOYSA-N 363.416 4.972 0 1 FJAF CCC[C@@H]1C[C@@]2(CCO1)Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587361102 XKEYOKFICXHAFR-PIPMEXSNSA-N 370.420 4.608 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(C(F)(F)F)c(Cl)c1)[C@@H](C2)C3=O 587423754 ZCNAYHAVFNMTDF-APPDUMDISA-N 368.738 4.856 0 1 FJAF Cc1cnc(-n2cccc2[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)s1 587536083 QYAJPAQXUBKHPB-IBGZPJMESA-N 364.470 4.828 0 1 FJAF O=C(c1cccnc1)c1c(-c2cccnc2)[nH]c2cc(Cl)c(F)cc12 587632267 IMDXOBZLHZCJCV-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CCC(C(F)F)CC2)N1 587714063 FZSZPNWWFBCAKW-CYWKSYIRSA-N 362.233 4.773 0 1 FJAF CC(C)n1cccc1[C@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587757326 UUHJCQARNNGOON-APPDUMDISA-N 351.263 4.594 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2ccccc2)(C2CC2)N1 587816339 WQVVWGODDRNFJL-CWTRNNRKSA-N 360.270 4.776 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3o2)N1 587835070 UOBWGYRKZCBMIB-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CCOC(=O)c1cc(Br)c2[nH]c([C@@H]3CC=CC[C@H]3C)nc2c1 587967256 LSSOWDZEJWWVMN-ZYHUDNBSSA-N 363.255 4.572 0 1 FJAF Fc1ccc(-n2cccn2)c([C@@H]2NCCc3cccc(-c4ccccc4)c32)c1 962660475 CNIRCTRBAZCQRR-DEOSSOPVSA-N 369.443 4.914 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(Cl)cc1)C(C)C 963046552 KOKDCTOTCWUQMV-QFIPXVFZSA-N 366.892 4.942 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@]3(c1ccc(F)cc1F)C(C)C 963053163 GUOVZQQVZCFVTI-QFIPXVFZSA-N 368.427 4.567 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]12CCCN(C(=O)OC(C)(C)C)C2 963236918 YHCAWBDCRUUWKE-JTSKRJEESA-N 358.526 4.569 0 1 FJAF CCc1ccccc1-c1cccc2sc(CNC[C@@H](C)C(=O)O)cc12 1772649663 NVUYHNVPVWAXFL-CQSZACIVSA-N 353.487 4.941 0 1 FJAF CC(=O)OC[C@@H]1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@]4(C)C2=CC[C@H]1C3 2356432611 GQSQALRNJKGVPV-WSEGHWGGSA-N 360.494 4.583 0 1 FJAF COC(=O)c1ccc(O)c(C[C@@H]2[C@](C)(O)CC[C@@H]3C(C)(C)CCC[C@@]23C)c1 2356715242 RXPHHRPSFMZFFI-IYRWYFENSA-N 374.521 4.715 0 1 FJAF C[C@H]1C=CC=CC=CC=CC=C[C@H](O)CC=CC=CC=CC=CC(=O)NC1 2356793570 KPEMWDNFHKXYQE-GOTSBHOMSA-N 363.501 4.509 0 1 FJAF CCC[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NCC1CCCCC1 206042810 YIZVZYGFYPDTIO-ADYITMSISA-N 360.586 4.896 0 3 FJAF COc1ccc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c1CC=C(C)C 14819480 NNBZEYJLJHOTAR-UHFFFAOYSA-N 364.397 4.706 0 1 FJAF biogenic CCCO[C@@]1(c2ccc(-c3ccccc3)cc2)CN2CCCC[C@@H]2CO1 27704030 QAAPYLBSSDSCQW-PKTZIBPZSA-N 351.490 4.818 0 1 FJAF COc1cc2c(cc1OC)C(=O)N1C=C(/C=C/c3ccc(C)cc3)C[C@H]1C=N2 49807360 SYDDNIYLZGYRME-BLGFXRMMSA-N 374.440 4.540 0 1 FJAF COCc1ccc(OCCOc2ccc(Cl)cc2Cl)c(Cl)n1 66136588 WQIZRDJRZZYFGF-UHFFFAOYSA-N 362.640 4.646 0 1 FJAF CCOc1cccc(-c2nc(CN[C@@H](C)CCc3ccccc3)co2)c1 72184616 WGOJGFITWZTTNZ-KRWDZBQOSA-N 350.462 4.851 0 1 FJAF CC[C@](C)(CCO[C@@H](CO)COC(=O)C[C@@](C)(CC)C(C)C)C(C)C 87723350 BGFPMEIULZPARM-CEWLAPEOSA-N 358.563 4.832 0 1 FJAF COc1ccc([C@@H]2[C@H](CCCc3cccnc3)C(=O)N2c2ccccc2)cc1 87723704 FSJVGFSWFAWCEC-XZOQPEGZSA-N 372.468 4.817 0 1 FJAF c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cncn2)cc1 89469068 UCUUEYSGSMOFHP-OAQYLSRUSA-N 367.412 4.801 0 1 FJAF C[C@@H](Nc1nc(-c2ccccn2)nnc1-c1ccccc1)c1ccccc1 95566418 QALAFIRMBSIOQU-MRXNPFEDSA-N 353.429 4.774 0 1 FJAF CCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC 100704073 NLUZSJYJRXEMAA-IBGZPJMESA-N 369.461 4.703 0 1 FJAF c1cc2cc(CN3CCC[C@H](Nc4ccc5[nH]ncc5c4)C3)ccc2s1 114337346 HHDLBGHLDFIDKP-IBGZPJMESA-N 362.502 4.854 0 1 FJAF Cc1ccccc1C(=O)N1CCN(C2c3ccccc3-c3ccccc32)CC1 299858210 DJMLFDIPYKFWOO-UHFFFAOYSA-N 368.480 4.523 0 1 FJAF CCN(CC)c1ccc(CCNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1 299863834 LQPOKCOXYJXERM-UHFFFAOYSA-N 369.896 4.640 0 1 FJAF CCN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccccc3)C2)s1 473123637 MEDOXSKRJKAYBL-LJQANCHMSA-N 362.502 4.661 0 1 FJAF Cc1cc2nc(-c3cc(-c4ccccc4)nc4c(Cl)cnn34)[nH]c2c(C)n1 587081318 NTFITWAVXRZTPE-UHFFFAOYSA-N 374.835 4.605 0 1 FJAF CC(C)(C)c1ccc2nc(C(F)(Br)Br)[nH]c2c1 587087098 LUTCNKPWPJRRTL-UHFFFAOYSA-N 364.056 4.730 0 1 FJAF COC(=O)c1ccc2nc([C@@H](C)Cc3cccc(C(F)(F)F)c3)[nH]c2c1 587113554 NETTTXVBWLJCLK-NSHDSACASA-N 362.351 4.715 0 1 FJAF O=C1CCc2cc3nc(-c4cccc(-c5ccccc5F)c4)[nH]c3cc2N1 587152941 ITXIDNNZZHOHKZ-UHFFFAOYSA-N 357.388 4.921 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Cl)cc1Cl)O2 587376816 UEFCXOMDZXOBRK-GOSISDBHSA-N 350.245 4.851 0 1 FJAF CCCOc1ccc([C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1Cl 587419859 MUMDVADCRFMRGL-VLIAUNLRSA-N 358.821 4.626 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccnc1Oc1ccc(C)cc1)[C@@H](C2)C3=O 587437423 ZZWDKMRVXNFIPH-AVRDEDQJSA-N 373.408 4.680 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](CC)(c1cc(F)c(O)c(F)c1)CC2=O 587466901 QCEYWTRYFCOSBR-HXUWFJFHSA-N 362.372 4.599 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Cl)cc1 587542944 AXUDHVUFWCOSIC-OALUTQOASA-N 366.800 4.619 0 1 FJAF Cc1cc(C)cc([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602049 IKSIUGYNTHRLKC-REWPJTCUSA-N 360.409 4.886 0 1 FJAF CCOc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)cc1F 587629518 SZGLWHODDHPMFN-UHFFFAOYSA-N 365.763 4.792 0 1 FJAF C[C@H]1c2ccccc2C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587824021 SXIGMTGBNXMQMN-UYSIFFEZSA-N 360.270 4.678 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(OC)cccc4[nH]3)cc2)cc1OC 587928269 AGFZHMFCQFRHFX-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF C[C@H](C[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12)CC(C)(C)C 962671762 SRFLTNQAAHPGLC-VVWXKSFDSA-N 368.521 4.837 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1ccc(N2CCOCC2)s1 963230480 POUDDDNZQKNSJN-VGSWGCGISA-N 370.562 4.505 0 1 FJAF Nc1ccccc1NC(=O)c1ccc(CSCCc2ccccc2)cc1 1857543851 HTNQAUVIPONDAK-UHFFFAOYSA-N 362.498 4.997 0 1 FJAF C=[S@@](O)(=NC(=O)CSc1ccc(Cl)cc1)c1ccc(C)cc1 1857607830 FRERRYRPCJUPDE-QFIPXVFZSA-N 353.896 4.569 0 1 FJAF O=C(C[C@@H](C(=O)c1cccs1)c1ccc2c(c1)OCO2)c1ccccc1 1861770 YEYXIEALHBBHLC-MRXNPFEDSA-N 364.422 4.716 0 1 FJAF COc1cc([C@@H]2CC(=O)c3c(ccc4ccccc34)N2)cc(OC)c1OC 5658138 KDEBPGDEBXJRDU-KRWDZBQOSA-N 363.413 4.605 0 1 FJAF O=C1c2ccccc2CCC[C@@H]1CCN1CCC(Oc2ccccc2)CC1 13488324 IPORBYPROLXTGM-HXUWFJFHSA-N 363.501 4.755 0 1 FJAF CCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](O)CO 26978844 JKWIKAYVEWEMLW-YEKDRLRDSA-N 364.526 4.638 0 1 FJAF CCOc1ccc(-c2nc(-c3ccc(C(=O)O)o3)cs2)cc1OCC 27109930 SCVLZHVEWHHWFF-UHFFFAOYSA-N 359.403 4.566 0 1 FJAF CC(=O)OCC[C@@]1(C)CC=C2[C@@H](CC[C@H]3[C@](C)(C(=O)O)CCC[C@@]23C)C1 27640201 IIPCIWPAEHRPHF-FVQLTZBISA-N 362.510 4.973 0 1 FJAF COc1cccc(OC/C=C(\C)CC/C=C(\C)[C@@H]2CC(=O)C(C)(C)O2)c1 29550315 HQVBXCZALKVWIP-IPZMESBFSA-N 358.478 4.883 0 1 FJAF c1ccc([C@@H]2CC3(N4CCCCC4)CCNC2[C@H](c2ccccc2)C3)cc1 40421993 YXXLFRSJUIWSJG-HHLXFHKQSA-N 360.545 4.934 0 1 FJAF O=C(O)c1cn(Cc2ccc(-c3ccccc3)cc2F)c2ccccc2c1=O 45394251 JJYUXQZTBMWZGX-UHFFFAOYSA-N 373.383 4.554 0 1 FJAF Cc1ccc(Nc2nccc(-c3c(C(F)(F)F)nc4ccccn34)n2)cc1 49785097 KLAKYYPZKFGXBW-UHFFFAOYSA-N 369.350 4.862 0 1 FJAF CC(C)CN1CCN(CCOc2ccccc2CCC2CCCCC2)CC1 169329800 IMIMFRTUILUAFQ-UHFFFAOYSA-N 372.597 4.852 0 1 FJAF O[C@@H]1C[C@H](c2nc3ccc(SC(F)(F)F)cc3[nH]2)c2ccccc21 586903431 OTXFUQILIRXVME-SWLSCSKDSA-N 350.365 4.744 0 1 FJAF Cc1c(-c2nc3cc(F)c(C(F)(F)F)cc3[nH]2)oc2c1[C@@H](O)CCC2 586905461 PRGOFZGYPOTOJM-LBPRGKRZSA-N 354.303 4.659 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 586915592 GBWONDOPRMSPDJ-CWTRNNRKSA-N 358.800 4.572 0 1 FJAF COc1ccc2[nH]c(-c3c(-n4cccc4)sc4c3[C@H](C)CCC4)nc2n1 587030319 COVJEUJZIAOOGZ-GFCCVEGCSA-N 364.474 4.926 0 1 FJAF Fc1cc(Br)c2[nH]c([C@H]3SCCc4sccc43)nc2c1 587036473 CFBLGZNHQIUNPT-ZDUSSCGKSA-N 369.284 4.905 0 1 FJAF COc1ccc2[nH]c(-c3noc(C)c3COc3ccc(Cl)cc3)nc2c1 587075074 FCYICEJBFDBISB-UHFFFAOYSA-N 369.808 4.767 0 1 FJAF FC(F)(F)c1ccc2nc([C@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2c1 587076105 IXXSGHYAKARFSE-OAHLLOKOSA-N 365.742 4.852 0 1 FJAF CCOC(=O)[C@H]1CCCc2nc3c(C)ccc4c3c(c21)-c1ccccc1C4=O 587099245 XEAAJAYJPGVYKG-KRWDZBQOSA-N 371.436 4.738 0 1 FJAF COc1cc2c3c(c1)O[C@](c1cccc(Cl)c1F)(C(C)C)[C@@H](C2)C3=O 587426825 QHHFOLVMOFFAED-XOBRGWDASA-N 360.812 4.787 0 1 FJAF C[C@]1(c2nc3ccc(Cl)cc3[nH]2)CC(=O)c2ccc3c(c2O1)CCCC3 587499879 NOKFRKJGAZNHLD-OAQYLSRUSA-N 366.848 4.976 0 1 FJAF Cc1c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc(F)c1F 587557054 LHOIKRVQVHTHFB-UWJYYQICSA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ncccc2c1 587587440 NVZNBCRYYODJFO-REWPJTCUSA-N 369.376 4.643 0 1 FJAF Cc1c(-c2ccc(C(F)(F)F)c(F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650440 VUXPIQYEUQKFDQ-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF CC(=O)[C@H](C(C)(C)C)[C@@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587814195 RTLMEMAITLTUFF-ZSSDLHNXSA-N 370.306 4.589 0 1 FJAF CCc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587817180 JBHNLIGVLXLCBX-YUNKPMOVSA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3occc3c2)N1 587833152 MBJOBAVPHVYPNC-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2ccc(C(C)(C)C)nc2[nH]1 587926544 IGNFEYHYRDAEQD-CQSZACIVSA-N 353.466 4.815 0 1 FJAF COc1cccc([C@H](C)Cc2nc3ccc(Br)c(C)c3[nH]2)c1 587929533 BPGJFRFERINILM-LLVKDONJSA-N 359.267 4.989 0 1 FJAF COC(=O)c1cc(CC=C(C)C)c2c(c1)C[C@@H]([C@@](C)(O)CCC=C(C)C)O2 685935559 YSLSPYQDOAYNCM-REWPJTCUSA-N 372.505 4.783 0 1 FJAF biogenic,in-vitro CC[C@@H]1Cc2c([nH]c3ccccc23)[C@]2(C[C@H](C)CN(Cc3ccccc3)C2)N1 962950588 NWFSAOHSEBQANJ-DMJCMNNJSA-N 373.544 4.830 0 1 FJAF CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)c1cccnc1Cl 1772583970 YEGKCGAQTFHBFU-UHFFFAOYSA-N 371.790 4.852 0 1 FJAF CNC(=O)Nc1cc(Oc2c(F)cccc2F)c(-c2ccccc2)cn1 1857535860 IMTSRCKDFSDLCM-UHFFFAOYSA-N 355.344 4.570 0 1 FJAF Clc1ccc([C@H]2C=C(c3cccc4ccccc34)N=C3NN=CN32)cc1 1857556890 QECONAGVAZCSDA-HXUWFJFHSA-N 358.832 4.794 0 1 FJAF CC(=O)OC=C1C=CC=C(C)C[C@H]2OC(=O)[C@H]1[C@@H]2[C@@H](C)CCC=C(C)C 2356633188 PUSGGIDEGQFCFM-LLUDDFSJSA-N 358.478 4.880 0 1 FJAF CCCCCCOc1nn(-c2cccc(Oc3ccccc3)c2)c(=O)o1 2382247524 GWMGDVPKLHYBHM-UHFFFAOYSA-N 354.406 4.577 0 1 FJAF CC[C@]1(CC(=O)O)OC[C@H](Cc2ccccc2)c2c1[nH]c1c(C)cccc21 26375644 LYCDISHWFIQTOZ-GAJHUEQPSA-N 363.457 4.913 0 1 FJAF C[C@]1(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12 28526436 QFGBXMNKPLHDLK-YICHJHHXSA-N 367.533 4.707 0 1 FJAF CC(=O)OC/C(=C\CC/C(C)=C/CO)CCC[C@H](C)C(=O)CC=C(C)C 28643603 LDJJMUSJYLVPLC-MIXUNBDMSA-N 364.526 4.927 0 1 FJAF CC(C)NC(=N)c1ccc(-c2cc3cc(C(=N)NC(C)C)ccc3o2)cc1 36399372 WUQNYBNWTDMQMD-UHFFFAOYSA-N 362.477 4.747 0 1 FJAF O=C(c1ccc(-c2ccccc2)nc1)N(Cc1ccccc1)C[C@H]1CCCO1 40935819 NFRCCCDXKVLNIS-JOCHJYFZSA-N 372.468 4.570 0 1 FJAF Cc1cnccc1-c1nc(C)c2c(C)nc3c(F)cc(OC(F)F)cc3n12 73159461 SIGZFMSWUAQLPX-UHFFFAOYSA-N 372.350 4.610 0 1 FJAF Clc1ccc(-c2cnc3cc4c(cc3n2)[C@H]2CNC[C@H]4C2)c(Cl)c1 101029306 DARDPWIATXWZOT-GHMZBOCLSA-N 356.256 4.778 0 1 FJAF O=C(Nc1ccc([C@@H]2CCNC2)cc1)Nc1ccc(Cl)cc1Cl 117717742 ZTEFAROQYWRPAH-GFCCVEGCSA-N 350.249 4.714 0 1 FJAF Cc1ccccc1OC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@@H]1N2C 169316248 LNDIIWNPPXKDSX-JTJHWIPRSA-N 369.892 4.820 0 1 FJAF C=Cc1ccc(-c2nc3c(Br)cc(C(=O)OCC)cc3[nH]2)cc1 586882021 RBWFSHKLTVQUOK-UHFFFAOYSA-N 371.234 4.812 0 1 FJAF CSc1ccc2nc(-c3nnn(Cc4ccc(Cl)cc4)c3C)[nH]c2c1 587074247 RHNNDPHTSMBRHR-UHFFFAOYSA-N 369.881 4.553 0 1 FJAF N=C(N)c1ccc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126261 WQKGHAZEMCSQAT-BAQGIRSFSA-N 362.380 4.629 0 1 FJAF Fc1cnc2[nH]c([C@H](Oc3ccc(F)c(F)c3)c3ccccc3)nc2c1 587150548 LVWQZOLVALYNMO-QGZVFWFLSA-N 355.319 4.544 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c[nH]c3cc(Br)ccc13)O2 587374507 YLGAUURCLIMEPK-QGZVFWFLSA-N 371.234 4.528 0 1 FJAF CCOc1ccc([C@]2(CC)CC(=O)c3cc(C)cc(N)c3O2)cc1OCC 587401270 VMEYMDRRUDUMMM-QFIPXVFZSA-N 369.461 4.645 0 1 FJAF COc1cc2c3c(c1)O[C@](Cc1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587428513 NOWKHVLJGFLSMN-GBXCKJPGSA-N 374.411 4.720 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccn(-c4cc(C)ccc4C)c1)[C@@H](C2)C3=O 587430257 GDIXQJQVNWTIGI-MBSDFSHPSA-N 359.425 4.591 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCc3ccc(Cl)nc31)CC2=O 587460251 HMPRTTRGILYNJJ-HXUWFJFHSA-N 357.837 4.590 0 1 FJAF O=C1C[C@]2(CCC=C(NNc3ccccc3)C2)Oc2c1ccc1c2CCCC1 587511096 MZFWHGZIRHNQOA-XMMPIXPASA-N 374.484 4.954 0 1 FJAF CC(=O)c1c(C)[nH]c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1C 587521526 BKHFUXIUDTXPOA-QFIPXVFZSA-N 351.446 4.594 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2ccncc2c1 587585151 CDLZDJOPNBDCFB-NFBKMPQASA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cnccc12 587586972 MMEDUEPQBUQTPB-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF CC1(C)CC(C)(C)[C@@]2(C1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604649 VAEOPTRPPPEURT-JTSKRJEESA-N 352.430 4.939 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1Cc1ccc(F)cc1 587655284 ANBFJLNXNGVZKD-UHFFFAOYSA-N 366.342 4.529 0 1 FJAF CC(C)[C@@]1(C(F)(F)F)N[C@H](C)Cc2ccc(F)c(Br)c21 587706497 QMHASHPHBRLTEI-AMIZOPFISA-N 354.185 4.536 0 1 FJAF CC(C)n1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587753063 HNIITBAARDUTGQ-PIGZYNQJSA-N 351.263 4.594 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3cnc(Cl)[nH]c-3n2)c1 587780600 VLPVHVJLGRADJE-UHFFFAOYSA-N 350.809 4.691 0 1 FJAF COc1cccc(C)c1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587805262 FCLGQICMKYFSAD-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccccc2)N1 587809437 AJHVMLQVPYQEKU-ORAYPTAESA-N 362.286 4.970 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CS[C@H](C(C)(C)C)C2)N1 587854179 BRFCCUBFRFCIID-ANTHHZPCSA-N 372.347 4.869 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@H]1C[C@@H]1c1ccc(C)cc1 587871946 QQERUDHOHLCDOK-MOPGFXCFSA-N 364.420 4.840 0 1 FJAF O=C(O)/C(=C\c1ccccc1O)c1nc(-c2cccc(Cl)c2)cs1 587920761 NYFPQVDCFIBURW-ZROIWOOFSA-N 357.818 4.794 0 1 FJAF CC[C@@]1(Cc2nc3cc(F)c(F)c(F)c3[nH]2)CC(=O)c2ccccc2C1 587959325 DFSABBCSKYMGGG-FQEVSTJZSA-N 358.363 4.748 0 1 FJAF Clc1ccc([C@@]2(c3cccs3)NCCc3nc4ccccn4c32)s1 962984653 FKVUGJWXWCDOTO-GOSISDBHSA-N 371.918 4.548 0 1 FJAF Cc1cccc([C@@H](C)N=c2[nH]c(C)nc3ccc(C4CCOCC4)cc23)c1 1857615352 GSOKCYCXTZZVFI-MRXNPFEDSA-N 361.489 4.736 0 1 FJAF CC(C)[C@H](C)C=C[C@H](C)[C@@H]1CC[C@H]2C3=CC(=O)N(CCO)C3=CC[C@@]12C 2356322825 BSTAVZCXPLMHKH-UXDICWNHSA-N 357.538 4.552 0 1 FJAF CC(C)CCC(=O)CC[C@@]1(C)[C@@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2C 608136 JZFZEWWOIOYBTQ-ZRBLBEILSA-N 357.538 4.702 0 1 FJAF in-man CCCN(CCC)c1nc(C)nc2c(-c3c(C)cc(C)cc3C)nn(C)c12 13445051 TWWIAVMRIQCHLP-UHFFFAOYSA-N 365.525 4.890 0 1 FJAF CC(C)c1ccc(O[C@@H](Cc2ccc(C(F)(F)F)cc2)C(=O)O)cc1 13604693 DDHFRMARIGSPIH-KRWDZBQOSA-N 352.352 4.904 0 1 FJAF CCc1cccc2c(/C=C(/Cc3ccccc3)C(=O)O)cc(OC)c(O)c12 27524237 RDPJQPTZJILTEI-AQTBWJFISA-N 362.425 4.827 0 1 FJAF CCCCCN1CCC(COc2nc3ccsc3n3cccc23)CC1 40401547 IVYWQCJSAJQIKH-UHFFFAOYSA-N 357.523 4.830 0 1 FJAF O=C1NCc2cccc(-c3cc4cc(OCc5ccccc5)ccc4[nH]3)c21 40410020 UIQCZMYFTSFLPQ-UHFFFAOYSA-N 354.409 4.657 0 1 FJAF COc1cc2c(cc1OC)-c1[nH]nc(NCc3c(C)cccc3Cl)c1C2 45298904 PVHDDOYSCSRNHC-UHFFFAOYSA-N 369.852 4.572 0 1 FJAF COc1ccc(Nc2nccc3c2cc(-c2ccsc2)n3C)cc1O 82082178 BCSWKNRIDKGFMI-UHFFFAOYSA-N 351.431 4.760 0 1 FJAF COc1ccc(C2=NO[C@H](CC(=O)Oc3cc(C)ccc3C(C)C)C2)cc1 82154915 YZWPLPYRHPWZBP-SFHVURJKSA-N 367.445 4.616 0 1 FJAF CCc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccco2)s1 82219714 GRFIQONOIDJALZ-OKILXGFUSA-N 368.506 4.905 0 1 FJAF CN1CC[C@@]2(CCCCCc3ccccc3)c3cc(O)ccc3O[C@H]2C1 96927291 GDNOHCHHQSYSDA-GOTSBHOMSA-N 351.490 4.530 0 1 FJAF Cc1ccc(NC(=O)Nc2cccc(-c3cccc4[nH][nH]c(=N)c34)c2)cc1 473144230 AGHIDPFKKQQVGX-UHFFFAOYSA-N 357.417 4.595 0 1 FJAF CC[C@]1(C)C[C@@H]1c1nc2cc(Br)c(Br)cc2[nH]1 586887649 GWXFCBBVNYFEEP-FUXBKTLASA-N 358.077 4.992 0 1 FJAF Fc1cnc(Cl)c2[nH]c(-c3cc(Br)ccc3Cl)nc12 586979763 AIKMLOINXIESQW-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1nc(COc2cccc(-c3nc4c(C)cnc(Cl)c4[nH]3)c2)cs1 587020797 YJNUINWSODRSAM-UHFFFAOYSA-N 370.865 4.931 0 1 FJAF CC(C)(C)c1ccc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c2n1 587077521 VQVJQWAMXXXIIV-HNNXBMFYSA-N 354.841 4.526 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cccc(C(F)(F)F)c2[nH]1 587116041 LDXYNXBHPCVGLV-UHFFFAOYSA-N 368.668 4.654 0 1 FJAF CCc1cccc2c(-c3cc4c5c(cccc5n3)CC4)cn(CC(=O)O)c12 587211285 OMVUKYJUVZHMQA-UHFFFAOYSA-N 356.425 4.602 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cccnc3cc1F)CC2=O 587470172 FDXVSBDDGZASNX-HXUWFJFHSA-N 351.377 4.739 0 1 FJAF CCOC(=O)c1c(C(F)(F)C(F)(F)F)[nH]c2ccc(F)c(Cl)c12 587629773 HANQKSHHWNMAOS-UHFFFAOYSA-N 359.653 4.791 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4nccc(Cl)c4[nH]3)cc2)c1 587780879 KVBMISYTQBUTGI-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF COc1ccc2c(c1)[C@@H](c1ccc([C@H]3CCCCO3)o1)N(C(C)C)CC2 962093881 QMRIUFQFSQJODB-KNQAVFIVSA-N 355.478 4.886 0 1 FJAF CC1=C(C)C[C@](C)([C@@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962975949 NMVLVTHMFYAIFL-LSBZLQRGSA-N 369.839 4.785 0 1 FJAF CN1C(=O)C[C@@H]2CN[C@@H](c3ccc(-c4cccc(F)c4)cc3)c3cccc1c32 963024724 LOCTWVMCEPXVHA-KOSHJBKYSA-N 372.443 4.635 0 1 FJAF Oc1ccc2c(c1)[C@](c1ccnc(Cl)c1)(C1CCCCCC1)NCC2 963329767 SUVXJKSISPLTQH-OAQYLSRUSA-N 356.897 4.800 0 1 FJAF FC(F)(F)c1cccc(CNc2cc(Br)cc3[nH]ncc23)c1 1857612698 XHWQIUNDWUOLTJ-UHFFFAOYSA-N 370.172 4.956 0 1 FJAF CCCCN1CC(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 1911576177 WPOPFTWABPQKSC-IBGZPJMESA-N 373.294 4.593 0 1 FJAF COC(=O)c1ccccc1C(Cl)=C(Cl)c1ccccc1C(=O)OC 2356319729 AKZAADMIHQBAJI-UHFFFAOYSA-N 365.212 4.563 0 1 FJAF Oc1nc(=Nc2cc(Cl)cc(Cl)c2)[nH]c2cc(C(F)(F)F)ccc12 2382219237 GTCWHIATCWSMKM-UHFFFAOYSA-N 374.149 4.827 0 1 FJAF Cc1ccccc1CN(C[C@H](O)COc1cccc2[nH]ccc12)C(C)(C)C 2382249349 AJVVTPSYPKQMBO-IBGZPJMESA-N 366.505 4.517 0 1 FJAF COc1ccc(-c2nc3cnc(Nc4cccc(C)c4)cc3n2C)cc1OC 82082797 YPOAAIMFZWZDGI-UHFFFAOYSA-N 374.444 4.705 0 3 FJAF NC1=Nc2cc(CCCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 13490263 TXHAPORLDDIXMY-UYAOXDASSA-N 367.924 4.948 0 1 FJAF COc1ccc2cc(C(=O)O)n(Cc3ccc(Cl)c(Cl)c3)c2c1 13588892 PBSDUJNSSPPCDK-UHFFFAOYSA-N 350.201 4.703 0 1 FJAF C[C@H]1CCCCN1Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 13740219 NEQQHVXXMSTVNA-SFHVURJKSA-N 357.501 4.635 0 1 FJAF COc1ccc(C2=NN(C(=O)c3ccc(C(C)(C)C)cc3)CCC2)cc1 27551761 PVFUYBGZYDCSRP-UHFFFAOYSA-N 350.462 4.633 0 1 FJAF CCN1C(=S)N(c2c(Cl)cccc2Cl)C(=O)[C@H]1c1ccccc1 27758520 GKBNDEJTXAHMNY-CQSZACIVSA-N 365.285 4.688 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@]2(C)CCN(C)[C@H]2N3)cc1 29546867 WZMBVGKJFPMNGN-IRLDBZIGSA-N 365.477 4.766 0 1 FJAF Cc1ccc(COc2c(-c3ccccc3)oc3cc(O)cc(O)c3c2=O)cc1 64528233 PYQHMCWQQCDAHX-UHFFFAOYSA-N 374.392 4.759 0 1 FJAF CC(C)(C)c1ccc(OC(=O)C(Cl)(C(F)(F)F)C(F)(F)F)cc1 68574111 VJRAFABPZVFZCJ-UHFFFAOYSA-N 362.697 4.992 0 1 FJAF biogenic O=C1CN(Cc2ccccc2)CC[C@@H]1C(c1ccccc1)c1ccccc1 72105522 QMEFUQVJVUDYLI-QHCPKHFHSA-N 355.481 4.910 0 1 FJAF COc1ccc(-c2ccc(C(=O)N(C)c3cccc(OC)c3)s2)cc1 95583235 XISHUJLWMPRKSU-UHFFFAOYSA-N 353.443 4.709 0 1 FJAF CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2[C@@]2(CSC(N)=N2)C1 95604720 GXHBPHNVZKIEND-IBGZPJMESA-N 357.910 4.631 0 1 FJAF Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)cc2C(F)(F)F)n1 103283758 FNNISDSLSAZWNJ-UHFFFAOYSA-N 352.747 4.618 0 1 FJAF N[C@H](Cc1ccccc1)c1nc(-c2ccc(Oc3ccccc3)cc2)no1 299854024 SZUQBQKJWHTPKM-HXUWFJFHSA-N 357.413 4.771 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3c(C(=O)O)cccc3[nH]2)cc1 586879319 HEKQIPRKSZMBIE-UHFFFAOYSA-N 372.380 4.602 0 1 FJAF Cc1cc(C)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc2c1 587077753 ZIIYUWPFEPDZFJ-UHFFFAOYSA-N 352.825 4.668 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1cc(F)ccc1F)O2 587382882 VIOZWHQRIKTQBY-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(COc3ccc(F)cc3)o1)O2 587385776 VBNZNYBJCGRGQI-FQEVSTJZSA-N 367.376 4.595 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(CCc1ccc(OC)cc1)CC2=O 587476060 CGIOPCOYZBWDSU-QFIPXVFZSA-N 354.446 4.710 0 1 FJAF O=C1C[C@@H](c2c(O)cccc2Br)Oc2c1ccc1c2CCCC1 587500652 UELUHQNLROGYTD-KRWDZBQOSA-N 373.246 4.740 0 1 FJAF C[C@]1(c2ccnc(C(F)(F)F)c2)CC(=O)c2ccc3c(c2O1)CCCC3 587510677 XGCSGMDHFUHGFN-LJQANCHMSA-N 361.363 4.860 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCC[C@@H](C3CC3)C2)N1 587817336 KGQUADZXHQWLDA-OMPKRAJASA-N 352.291 4.918 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc2ccccc2n1 587868726 QIOFNMKQHYSGMX-UHFFFAOYSA-N 370.334 4.510 0 1 FJAF Cc1cc(C(F)(F)F)nn1CCc1nc(-c2ccc(F)c(F)c2)cs1 587922716 XSVFQUBANRUZPB-UHFFFAOYSA-N 373.350 4.855 0 1 FJAF CS[C@H]1CCCC[C@@]12NC1(CC1)Cc1ccc(Br)cc12 961326038 QOQKNEVINANGDY-RDJZCZTQSA-N 352.341 4.628 0 1 FJAF NC1=C[C@]2(C[C@@H](c3ccc(Cl)cc3)C1)NCCc1cccc(Cl)c12 963381169 QYFYDAGGGQJUTQ-YWZLYKJASA-N 359.300 4.755 0 1 FJAF CC1(N)CCN(c2nc(-c3ccc(-c4ccc(F)cc4)cc3)cs2)CC1 1772576825 VKSQSBWIOHGCSO-UHFFFAOYSA-N 367.493 4.934 0 1 FJAF Cc1sc(-c2ccccc2Cl)cc1C(=O)N[C@@H](CN)c1ccccc1 1857544758 GEDDMFGBKRREEU-SFHVURJKSA-N 370.905 4.807 0 1 FJAF Cc1ccc2nc(-c3cccc(C(=O)NCCc4ccccc4)c3)[nH]c2c1 1911580217 TXQWHOSPYODITD-UHFFFAOYSA-N 355.441 4.511 0 1 FJAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(Oc4ccccc4)cc3)nc2c1 13612056 WCRYXSBNKKJUIN-UHFFFAOYSA-N 357.413 4.724 0 1 FJAF CC(C)S(=O)(=O)NC[C@@H](Cc1ccccc1)c1ccc(C(C)(C)C)cc1 13835070 LPTJQBVVSCHMJH-HXUWFJFHSA-N 373.562 4.638 0 1 FJAF CCCCCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1 29409416 QJGVCXKYRJLREB-QAMKJQMISA-N 373.276 4.642 0 1 FJAF CC[C@@H](C)[C@@H](CNC)N1CCN(CCCC2CCCCC2)[C@H](C(C)C)C1 45261850 WDWUDQLDYWBWLS-MZYLBHOOSA-N 365.650 4.623 0 1 FJAF COc1ccc(OC)c(-c2cc(N[C@H]3C[C@@H](C)CC(C)(C)C3)ncn2)c1 82162341 OHKHEADTDAWDIX-CABCVRRESA-N 355.482 4.788 0 1 FJAF CCc1cnc(-c2cnc(NCCCOC)nc2-c2ccccc2C)s1 82177157 OWBYLZKAAYYULA-UHFFFAOYSA-N 368.506 4.586 0 1 FJAF Cn1c2ccccc2c2cc(CN)nc(-c3ccc(C(F)(F)F)cc3)c21 474609919 XHWJUCQJRCJSJV-UHFFFAOYSA-N 355.363 4.871 0 1 FJAF COc1cc2nc(-c3cc(O)cc(NC(=O)OC(C)(C)C)c3)[nH]c2cc1C 587242592 WXHKXKPJJQBATM-UHFFFAOYSA-N 369.421 4.600 0 1 FJAF Nc1c(-c2nc3c(Br)cnc(Cl)c3[nH]2)ccc2ccccc12 587253554 CPYXJDGVOVNOCK-UHFFFAOYSA-N 373.641 4.776 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1coc3ccc(C(C)C)cc3c1=O)O2 587406934 FVRYYIRJCSJKOT-FQEVSTJZSA-N 363.413 4.514 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(Cc1cc(Cl)ccc1Cl)[C@@H](C2)C3=O 587423240 UGLLRCGXXCBXKL-LIRRHRJNSA-N 363.240 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(F)c(Cl)c1Cl)[C@@H](C2)C3=O 587424926 YBAYCCNJKLOIST-DYZYQPBXSA-N 353.176 4.630 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCc3cccc(Cl)c3C1)CC2=O 587460222 HDZRYUFQLNRKJA-NRFANRHFSA-N 356.849 4.891 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(c1ccccc1)C1CC1 587602073 IQGZHHPWMTYXAU-REWPJTCUSA-N 358.393 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2c(F)ccc(F)c2F)N1 587717465 LAHQFKODQZUXHU-QZTNRIJFSA-N 374.175 4.629 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587778323 LUZZEQQTFDPSIN-UHFFFAOYSA-N 352.221 4.729 0 1 FJAF COc1cccc(C)c1-c1nc2cc(C(F)(F)C(F)(F)F)ncc2[nH]1 587785494 BKDNNQVLGGQRJV-UHFFFAOYSA-N 357.282 4.596 0 1 FJAF COC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4C)cc3)[nH]c2c1 587960086 VPPUZZXQYFYJNJ-UHFFFAOYSA-N 356.425 4.916 0 1 FJAF C[C@@H](Nc1ncnc2sc(-c3cccc(C(N)=O)c3)cc12)c1ccccc1 653701059 JZOZYQWUEDKSAF-CYBMUJFWSA-N 374.469 4.630 0 1 FJAF N[C@H](N=O)c1cccc(NC(=O)OCC2c3ccccc3-c3ccccc32)c1 957756630 DXVSTIWGGRNMID-OAQYLSRUSA-N 373.412 4.771 0 1 FJAF Fc1cccc2c1[C@@H](c1cccc(OCC(F)(F)F)c1)N1CCC[C@H]1C2 963093100 BHLFVVBBLAQGOT-HNAYVOBHSA-N 365.370 4.877 0 1 FJAF O=C1c2c(cccc2OCCc2ccccc2)C[C@@H]1Cc1ccc(O)cc1 1857633437 HZXRMIQICQMBGS-FQEVSTJZSA-N 358.437 4.611 0 1 FJAF CCC(=O)c1cc(Cl)c(O[C@@H](C(=O)O)c2ccccc2)c(Cl)c1 13646475 KKRZIQSSHRSOKO-OAHLLOKOSA-N 353.201 4.791 0 1 FJAF O=C(Cc1ccc(C2CCCCC2)cc1)N1CCCC[C@H]1CN1CCCC1 13861053 QRIZARXGKJRHBY-QHCPKHFHSA-N 368.565 4.754 0 1 FJAF Cc1cc(O)c2c(c1)C[C@H]1[C@@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]21C 17323666 VZUZGWPYCWZJQF-XOKIPONLSA-N 366.501 4.505 0 1 FJAF C[C@H](CO)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C=C(C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 28008795 OYVGUGDAAZPUSG-WNZOUPKTSA-N 360.538 4.895 0 1 FJAF COc1cccc(-c2cc3c(cn2)nc(NCc2cccc(C)c2)n3C)c1 74387473 QWEGEESGYKHGAB-UHFFFAOYSA-N 358.445 4.564 0 1 FJAF O=C(O)c1ccccc1/C=C/c1nc2cc(C(F)(F)F)c(F)cc2[nH]1 586878319 CMWCZPVYGLBYKL-AATRIKPKSA-N 350.271 4.589 0 1 FJAF COc1ccc2nc(-c3cc4ccccc4cc3NC(=O)C(C)C)[nH]c2c1 587247401 LBGGHJCOBXJLSN-UHFFFAOYSA-N 359.429 4.986 0 1 FJAF C[C@@]1(CCc2ccco2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587356546 PZSPLVWXSCFDHI-UNMCSNQZSA-N 366.388 4.875 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cccn1-c1cccc(Cl)c1)[C@@H](C2)C3=O 587417267 BBQKVDIJEQCRTC-KKSFZXQISA-N 365.816 4.628 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C(=O)c2cccc3cccc1c23 587485269 UJTCMKOBAIGDGP-HSZRJFAPSA-N 358.393 4.555 0 1 FJAF Cc1c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(-c2ccccc2)nn1C 587516067 QNXXBGLNSHQNOV-NRFANRHFSA-N 372.468 4.981 0 1 FJAF Cc1ccc2c([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c[nH]c2c1 587589152 NUECNPQXJFVIEX-OFNKIYASSA-N 371.392 4.885 0 1 FJAF CCc1ccc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)s1 587615990 YIITVTGFWCIJRV-GHTZIAJQSA-N 366.438 4.893 0 1 FJAF COc1ccc(C)cc1C(=O)CCc1nc2cccc(C(C)(C)C)c2[nH]1 587786313 FWQLRBDVBFPWMW-UHFFFAOYSA-N 350.462 4.993 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2cc3ccccc3[nH]2)N1 587802958 ORQZWLSPLFZWDR-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccccc21 587818358 QWSGEFPANYPBJX-CRTZDJKQSA-N 360.270 4.873 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](c2ccc([C@H]3C[C@H]3C)o2)N1 587831009 VDCQWXLSBBWACE-NDTJYLHMSA-N 364.258 4.928 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc3ccccc3o2)N1 587835065 UNRFZFZCUYYUHQ-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3cc(Cl)cc(Cl)c3[nH]2)CC1 587952257 NQTSXZVRIXHJNK-XSRFYTQQSA-N 357.281 4.947 0 1 FJAF CO[C@H](C)COC1CCC(c2nc3ccc(C(F)(F)F)cc3[nH]2)CC1 587952627 UVQCVSQOYCKARG-LKSINWNRSA-N 356.388 4.659 0 1 FJAF C[C@H](NC(=O)c1onc(-c2ccc(Cl)cc2)c1[C@@H](C)O)c1ccccc1 2356388482 HIMNMSPEQUFFGN-QWHCGFSZSA-N 370.836 4.539 0 1 FJAF CC(=O)CCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@@H]1C(=O)O 2356405850 GITAQGNGLWXMTE-SQNIBIBYSA-N 354.487 4.519 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@](C)(CC(=O)O)O2 2356643104 HIMKMNPGLLJADY-RZXSNQJFSA-N 350.499 4.578 0 1 FJAF Cn1c(-c2ccc(F)cc2Cl)nnc1-c1ccccc1C(F)(F)F 29042587 VAGOISNPRZPGOX-UHFFFAOYSA-N 355.722 4.960 0 1 FJAF Cc1ccc(C(=O)CCCCOc2ccc(C3=N[C@H](C)CO3)cc2)s1 33504601 NNXORJFGYVDZDR-CQSZACIVSA-N 357.475 4.654 0 1 FJAF Cc1c(-c2ccc(O)cc2)nn(-c2ccc(O)cc2)c1-c1ccc(O)cc1 40412935 OBOKXDRGAOZNKB-UHFFFAOYSA-N 358.397 4.632 0 1 FJAF COc1cc(C(=O)c2ccc(-c3cccc(F)c3)s2)cc(OC)c1OC 40976649 UEVUNWXUNIOCFH-UHFFFAOYSA-N 372.417 4.811 0 1 FJAF CCOc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1 95560365 WCSFWRKFMPYRBM-UHFFFAOYSA-N 370.836 4.694 0 1 FJAF CCOC(=O)c1cnc2c(cnn2-c2ccccc2)c1Nc1ccc(C)cc1 103277241 JGYJWPAJCQSTPU-UHFFFAOYSA-N 372.428 4.649 0 1 FJAF C=CCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1 115229414 GQZKAZRROIULEO-UHFFFAOYSA-N 363.891 4.936 0 1 FJAF C[C@]12CC[C@H]3[C@@H](CCN4C(=O)CC=CC[C@]34C)[C@@H]1CC=C2c1cccnc1 144177143 RXALNVFQVGFJOS-KXYIPDGISA-N 362.517 4.858 0 1 FJAF C/C1=C\CC[C@](C)(O)/C=C\[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 195375531 AVRRAMZPNSQDIW-BXWWPNDXSA-N 358.478 4.627 0 1 FJAF Oc1c(-c2ccccc2)cccc1-c1nc2cc(-n3cccn3)c(F)cc2[nH]1 586896865 SCZXWFPMTSECSM-UHFFFAOYSA-N 370.387 4.927 0 1 FJAF CCc1ccc(-c2nc3cc(OC)c(OC)cc3[nH]2)cc1Br 586977723 QUWICSXSOBVNAR-UHFFFAOYSA-N 361.239 4.572 0 1 FJAF Clc1cc(-c2nc3cncc(Br)c3[nH]2)c2ccccc2n1 587084611 DKVGXRDQGPOUBU-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF CCOC(=O)[C@H]1CCc2nc3cccc4c3c(c2[C@H]1C)-c1ccccc1C4=O 587105873 GJNJQNBQRYRQGY-KBPBESRZSA-N 371.436 4.675 0 1 FJAF FC(F)(F)c1nc2ccncc2cc1-c1nc2ccc3ncccc3c2[nH]1 587115801 AWWIBQHMWHVHFT-UHFFFAOYSA-N 365.318 4.740 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(Cl)ncnc4[nH]3)c(F)c2)c(F)c1 587151951 JDMVPDPLFMXMMM-UHFFFAOYSA-N 372.762 4.627 0 1 FJAF O=NCc1ccc(-c2nc3c(Br)cc(Cl)cc3[nH]2)cc1 587190844 SVFYGYOBJKQXQA-UHFFFAOYSA-N 350.603 4.912 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c[nH]c4c1ccc1ccccc14)[C@@H](C2)C3=O 587438657 PPOUPQWAPDRTPS-SBUREZEXSA-N 355.393 4.818 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc(F)c(F)c(F)c1F)CC2=O 587465252 GADVIBBSZWNZGZ-IBGZPJMESA-N 368.326 4.782 0 1 FJAF O=C1C[C@@H](c2cccc(Cn3ccnc3)c2)Oc2c1ccc1c2CCCC1 587515193 KFKPCIDTCITWIJ-QFIPXVFZSA-N 358.441 4.517 0 1 FJAF COc1cc(C)ccc1OCc1nc2cc(Br)cc(C)c2[nH]1 587564773 XROPWZNTVNOQRZ-UHFFFAOYSA-N 361.239 4.530 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1cc(F)cc(F)c1 587655526 LLCYICCHXLMZKA-UHFFFAOYSA-N 370.305 4.609 0 1 FJAF Cc1ccccc1-c1ccc(Cc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1 587960322 ZJIPBCUXMMEJBR-QFIPXVFZSA-N 356.429 4.853 0 1 FJAF CCc1ccccc1-c1cccc2sc(CNC[C@H](C)C(=O)O)cc12 1772649662 NVUYHNVPVWAXFL-AWEZNQCLSA-N 353.487 4.941 0 1 FJAF CC(=O)OCC1=C(C(=O)O)C=CC=C[C@@](C)(CCc2ccoc2)[C@@H](C)CC1 2356384152 LLUXACMGLPHSNY-AOMKIAJQSA-N 372.461 4.705 0 1 FJAF Cc1cccc(CN2CCC[C@H](C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 13594490 STFJYSISTVLIAU-INIZCTEOSA-N 362.395 4.504 0 3 FJAF COc1ccc(Oc2ccc3c(-c4ccccc4F)noc3n2)c(F)c1 206054690 ZEEZNIKPNCHSMQ-UHFFFAOYSA-N 354.312 4.969 0 3 FJAF CC(C)c1ccc(O[C@@H](Cc2cccc(C(F)(F)F)c2)C(=O)O)cc1 13604689 MDVCNGJZGHUFFV-KRWDZBQOSA-N 352.352 4.904 0 1 FJAF O=C(O)c1ccc(C(=O)c2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1 13740012 ZLPFUMQMXQDBIX-UHFFFAOYSA-N 364.784 4.500 0 1 FJAF c1ccc(-c2nc3ncnc(N4CCCCC4)c3nc2-c2ccccc2)cc1 28338880 OMTWOEWJJPKNHT-UHFFFAOYSA-N 367.456 4.744 0 1 FJAF CC(C)(CO)CCCCOCCCCC(C)(C)CO[C@@H]1CCCCO1 28457236 ZTCSWAUYURESIC-LJQANCHMSA-N 358.563 4.932 0 1 FJAF CN1Cc2cc(-c3cnccn3)ccc2[C@H](c2cc3ccccc3s2)C1 35791094 SHZIVSOSKOIXMU-LJQANCHMSA-N 357.482 4.936 0 1 FJAF Sc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Br)cc1 66100505 IZSZWDOQLQDLKW-UHFFFAOYSA-N 366.671 4.639 0 1 FJAF OC1(c2ccc(Cl)cc2)CCN(CCCCc2ccc(F)cc2)CC1 73224424 ZTBBOIYRZHAFIN-UHFFFAOYSA-N 361.888 4.785 0 1 FJAF CC[C@@H](C)Cn1c(-c2ccoc2)nc2c(NCc3ccccc3)ncnc21 82178415 RHDYTMFVGOTQPX-OAHLLOKOSA-N 361.449 4.745 0 1 FJAF CCCCCn1c(C(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187536 QAFXPEVEZWMQFL-UHFFFAOYSA-N 369.488 4.934 0 1 FJAF CC[C@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84688697 ASFLYNMYGAYKON-ZDUSSCGKSA-N 353.853 4.821 0 1 FJAF FC(F)(F)c1cccc(Nc2ccc3nnc(-c4ccccc4)n3n2)c1 95605619 KARIWVKSCFIJOH-UHFFFAOYSA-N 355.323 4.554 0 1 FJAF CC(=O)C[C@@H](C)c1ccc(OC2CN(c3cccc(OC(C)C)c3)C2)cc1 96172883 DXRYKJDCKZELAS-QGZVFWFLSA-N 367.489 4.824 0 1 FJAF CSc1cccc(N2C(=S)N[C@H]3c4ccccc4O[C@]24CCC[C@H]34)c1 100289072 JWXNPEZZNWFCCK-KPFFTGBYSA-N 368.527 4.733 0 1 FJAF CCOc1cccc(-c2ccc(Nc3cnccc3C(=O)O)c(F)c2)c1 103278716 BHHGLDXAUYRGRI-UHFFFAOYSA-N 352.365 4.728 0 1 FJAF COc1ccccc1CN[C@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1 113365795 PPCBJIQRKKFFJQ-GOTSBHOMSA-N 359.469 4.920 0 1 FJAF O=C(/C=C\c1ccc(C(F)(F)F)cc1)Nc1cc(-c2ccccc2)[nH]n1 299871428 YNCQUNIAYMALQE-FLIBITNWSA-N 357.335 4.747 0 1 FJAF CCC[C@@H](NC(=O)c1cc2ccccc2s1)c1nc2c(C)ccnc2[nH]1 587034348 HSLFQPXEIKPTFQ-CQSZACIVSA-N 364.474 4.752 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(Br)cc(F)c2[nH]1 587067403 YNKBASYIHQEXIE-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF Fc1cc(Br)c2nc(-c3ccc(Cl)c(Cl)n3)[nH]c2c1 587084868 VKTBOJKIOJGXIS-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCOC(=O)[C@H](C)c1nc2cccc3c2c(c1CC)-c1ccccc1C3=O 587107122 PMHRYHMGPFPKEW-CYBMUJFWSA-N 359.425 4.675 0 1 FJAF COc1cc(OC)c2[nH]c(Cc3ccc(-c4ccccc4)c(F)c3)nc2c1 587145644 MSZJEESLEODBKO-UHFFFAOYSA-N 362.404 4.977 0 1 FJAF Oc1nccc2nc([C@H](Oc3ccc(F)cc3Cl)c3ccccc3)[nH]c12 587159941 YXYWJVKYXJXUQU-QGZVFWFLSA-N 369.783 4.624 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2cnc3ccccc3c2[nH]1)C1CCCC1 587227561 ZXSPWAZAZHWHIC-KRWDZBQOSA-N 366.465 4.867 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c(C)cc(Cl)cc31)O2 587380388 UHOQYJNECXCLAZ-HXUWFJFHSA-N 357.837 4.572 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc3c(c1)CCCN3CC)CC2=O 587476614 VSPJFJHYWLMBRV-QFIPXVFZSA-N 365.473 4.824 0 1 FJAF CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccc([C@@H](C)CC)cc12 587640587 BIYKKSCHDCNTKL-AWEZNQCLSA-N 364.445 4.850 0 1 FJAF COc1ccc([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(C)c1 587809615 RCSNLVPPBKOHQB-VOJFVSQTSA-N 364.258 4.529 0 1 FJAF Cc1ccc(Cl)c(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587872462 LKKWHWVGXJPFTJ-NSHDSACASA-N 372.783 4.864 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@H](c1ccc(F)cc1)Oc1ccccc1-2 653861073 OYFQGTMTBOAUCW-KRWDZBQOSA-N 372.510 4.910 0 1 FJAF Cc1cccc(CC[C@]2(C3CCCC3)NCCc3nc4ccccn4c32)c1 962985739 RHAVPMOKZMZPIM-XMMPIXPASA-N 359.517 4.807 0 1 FJAF C[C@@H]1Cc2[nH]nc(-c3ccccc3)c2CN1C(=O)Nc1cccc(Cl)c1 2382235171 YRPGMYKVSXJQEM-CYBMUJFWSA-N 366.852 4.709 0 1 FJAF O=C([C@H]1[C@H]2CCCC[C@@H]2C=C[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 13415553 XILCCXRIHYUMKY-ONZODILHSA-N 367.489 4.504 0 1 FJAF biogenic C[C@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccncc3)nc21 13835487 OXGWVZIXYCBKBY-OAHLLOKOSA-N 365.440 4.838 0 1 FJAF CC[C@@H](C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968429 RGHUVUPNSICPDI-SECBINFHSA-N 366.305 4.714 0 1 FJAF CCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1 17991411 HCFFAIZSNVOHSY-IRLDBZIGSA-N 368.498 4.543 0 1 FJAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccc(Cl)cc1 64637977 NLHASLSYCLBVJG-QGZVFWFLSA-N 372.852 4.645 0 1 FJAF O=C1COc2ccc(C3=Nc4ccccc4S[C@H]3c3ccccc3)cc2N1 68079074 PKBIAUYNZMVJCB-QFIPXVFZSA-N 372.449 4.985 0 1 FJAF COc1cccc(CCNc2cc(-c3ccc(C(F)(F)F)cc3)ncn2)c1 82168161 WIXOYWPPNSJWFR-UHFFFAOYSA-N 373.378 4.826 0 1 FJAF O=C(O)c1cc2cc(O)ccc2n1Cc1ccc(Cl)c(C(F)(F)F)c1 136197704 FFJIOGAAFGBMMO-UHFFFAOYSA-N 369.726 4.766 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3ccc(F)c(F)c3[nH]2)c(C)c1 586966404 MJPXFSUQYVXLOK-UHFFFAOYSA-N 370.428 4.936 0 1 FJAF Clc1cnc2[nH]c(-c3cnc(Cc4ccccc4)s3)nc2c1Cl 587022352 YHBLBRZZYCSSMH-UHFFFAOYSA-N 361.257 4.979 0 1 FJAF Cc1c(Br)ccc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095760 UNJUSTJAKYHGOM-UHFFFAOYSA-N 370.172 4.902 0 1 FJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cc(Cl)cc(F)c2[nH]1 587108544 AHEYXJJZBVICES-UHFFFAOYSA-N 358.678 4.739 0 1 FJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)c(F)cc4[nH]3)cc2N1 587122327 BSPOANLSLINZET-SREIQFSDSA-N 373.741 4.526 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccccc1)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426639 FISCAXSRPAUXFI-WMZHIEFXSA-N 360.384 4.526 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccc(F)c3)no1)CC2=O 587465868 HPFDKOHYYQEPSA-IBGZPJMESA-N 367.376 4.845 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(F)cc1OC(F)F)CC2=O 587468362 WOZOOTXIZAVBFC-KRWDZBQOSA-N 366.335 4.792 0 1 FJAF COC[C@]1(c2ccc(Cl)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587498242 DLCQJEMQDZEQGS-NRFANRHFSA-N 356.849 4.726 0 1 FJAF COC[C@]1(c2cccc(Cl)c2F)CC(=O)c2ccc3c(c2O1)CCCC3 587504097 MLRUKJBFXRAINZ-NRFANRHFSA-N 374.839 4.865 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccncc12 587587856 QHGARSIPTDFFRS-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1c[nH]c2ccccc12 587589315 NZPDEGSUTYYHDP-UGKGYDQZSA-N 357.365 4.576 0 1 FJAF COc1ccc(C=O)cc1-c1nc2ccc(SC(F)(F)F)cc2[nH]1 587787880 SBHHFUOPZLOIPI-UHFFFAOYSA-N 352.337 4.663 0 1 FJAF C[C@H]1C[C@H]1c1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587831089 WAZAKTZHOBAKKX-JFMNDMBNSA-N 364.258 4.928 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(C)s1 587842848 GPDYRWPDBXAHHD-VPTHRUTESA-N 354.288 4.890 0 1 FJAF CSc1ccccc1[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587844620 LSLQMUSPFSBFTK-BMLIUANNSA-N 366.299 4.934 0 1 FJAF C[C@@H](Cc1nc(-c2ccc(F)cc2)cs1)n1ccc(C(F)(F)F)n1 587922229 LOPSETLAAVTTRV-JTQLQIEISA-N 355.360 4.968 0 1 FJAF COc1ccc2c(c1)[C@H](c1cc(CN3CCCCC3)cs1)N[C@@H]1CC[C@H]21 962990338 BLGZHPFPFXMISR-SYYKKAFVSA-N 368.546 4.681 0 1 FJAF CC[C@]1(c2cccc(Cl)c2F)NCCc2cnc3c(OC)cccc3c21 963041794 YUACSHKOHYSSHC-OAQYLSRUSA-N 370.855 4.835 0 1 FJAF Fc1cccc2c1[C@@](COC(F)(F)F)(c1ccccc1)N1CCC[C@H]1C2 963104052 GTTZCWAJBNWJDQ-QFBILLFUSA-N 365.370 4.626 0 1 FJAF COc1ccc([C@@]2(C(F)(F)F)c3c(F)cccc3C[C@@H]3CCCN32)cc1 963108429 PDZZOHHJUAJLNM-KXBFYZLASA-N 365.370 4.661 0 1 FJAF COc1ccc([C@@]2(Cc3ccccc3)NCCc3cc(Cl)ccc32)cc1 963380637 LRUXXKUYFALPSA-HSZRJFAPSA-N 363.888 4.981 0 1 FJAF CC1=C(CCCCCCCCCCCCCC[C@@H](C)O)C(=O)NC1=O 2356284228 SLZVZYBXARPMKC-QGZVFWFLSA-N 351.531 4.802 0 1 FJAF Cc1cccc(Cc2nc3cc(O[C@H]4CC[C@@H](C(=O)O)CC4)ccc3o2)c1 2382245134 LYJYILNJZPLLDQ-CALCHBBNSA-N 365.429 4.749 0 1 FJAF Cc1ncsc1CCCNCc1c[nH]nc1-c1cccc2ccccc12 15962324 JDKOVLLKGHZUNS-UHFFFAOYSA-N 362.502 4.717 0 3 FJAF COCc1cccc(-c2ccc3c(c2)N(Cc2ccccc2)C(=O)COC3)c1 205222320 ITRTYIBKLWMLQB-UHFFFAOYSA-N 373.452 4.563 0 3 FJAF Cc1cnoc1NS(=O)(=O)c1ccccc1-c1ccc(CC(C)C)cc1 13782429 BVBZNVTXDHYSOW-UHFFFAOYSA-N 370.474 4.649 0 1 FJAF COc1ccc(Cc2ccc([C@@H](C)C(=O)O)c3cc(OC)ccc23)cc1 26639158 LRKPIEDFECOPDM-CQSZACIVSA-N 350.414 4.636 0 1 FJAF CCCCC[C@@H](O)CCC[C@H](CCCc1ccc(C(=O)O)cc1)[C@@H](C)O 27090664 HQWDQCLZOGUKDS-SLYNCCJLSA-N 364.526 4.816 0 1 FJAF CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C(=O)Nc1ccccc1Cl 58608334 WGQZAJARZZQSJC-QGZVFWFLSA-N 372.852 4.645 0 1 FJAF CC(C)CN(C)C(=O)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 84688664 RTHWQYAYIYGBDT-UHFFFAOYSA-N 353.853 4.678 0 1 FJAF CC1=C(C(=O)N2CCCCC2)[C@H](c2ccccc2F)C2=C(O)CCCC2=N1 103539612 KYKYIDVQSVOGFU-FQEVSTJZSA-N 368.452 4.646 0 1 FJAF COc1cc(-c2ccc3ncnc(Nc4cc(O)ccc4C)c3c2)ccc1O 143134669 FLTWWDWTIZAELE-UHFFFAOYSA-N 373.412 4.769 0 1 FJAF Cc1nnc2n1-c1c(F)cc(-c3cncc(-c4ccccc4)c3)cc1CC2 143862984 JDGJGLSUDLIYIP-UHFFFAOYSA-N 356.404 4.542 0 1 FJAF CCCN1CCN(C2=Nc3cc(Cl)ccc3N(C)c3cscc32)CC1 169325774 WJQRFSGEUIIICW-UHFFFAOYSA-N 374.941 4.589 0 1 FJAF COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(Cl)c(Cl)c2)cc1 299856251 COGQMGJEUUUHIV-UHFFFAOYSA-N 363.200 4.553 0 1 FJAF CCN(CC)c1ccc2nc(-c3ccccc3C(F)(F)F)nc(O)c2c1 473152243 SSZBIPIHCFIIOV-UHFFFAOYSA-N 361.367 4.867 0 1 FJAF Cc1cc(Br)cc2nc([C@@H](C)c3ccc(N(C)C)cc3)[nH]c12 587197703 TZWLLXYZYSBOIB-LBPRGKRZSA-N 358.283 4.852 0 1 FJAF O=C(O)c1ccc(COc2ccc(-c3cc4c5c(cccc5n3)CC4)cc2)o1 587215246 DJVAVLPBHNEEDK-UHFFFAOYSA-N 371.392 4.871 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCCC3)cc1Cl)O2 587375684 NYKGIPNIPSZURO-LJQANCHMSA-N 356.853 4.537 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1sc(C)nc1-c1ccccc1)O2 587411020 AMKWDFLBESQSBZ-KRWDZBQOSA-N 350.443 4.716 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1[nH]c4c(Cl)cccc4c1C)[C@@H](C2)C3=O 587421839 NIUVDLLEUYPIED-RNODOKPDSA-N 353.805 4.627 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(-c4cccs4)cs1)[C@@H](C2)C3=O 587453201 VXDIFQQZJGILCS-DJJJIMSYSA-N 354.452 4.974 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3cccc(Cl)c3C1)CC2=O 587460225 HDZRYUFQLNRKJA-OAQYLSRUSA-N 356.849 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(SCC(C)C)nc1)CC2=O 587493999 VNIQIEKROARQOV-SFHVURJKSA-N 372.490 4.589 0 1 FJAF CC(C)C1CCC2(CC1)Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587604267 RSDKZTSRGRZOEA-WDALLZDZSA-N 352.430 4.939 0 1 FJAF CC(C)(C)OC(=O)N1CCC[C@H]1c1c(C2CC2)[nH]c2c(C(=O)O)cccc12 587638072 CDSBJXSWURROJJ-HNNXBMFYSA-N 370.449 4.816 0 1 FJAF Cc1cccc(F)c1[C@@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587723596 XQEDOYBIKYEUGR-BMLIUANNSA-N 352.222 4.659 0 1 FJAF CCNc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587756535 RAECBBKJPLQKFC-BBATYDOGSA-N 363.274 4.644 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cccc3cc[nH]c23)N1 587802306 KXDLFQWGNWNAQL-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3[nH]ccc23)N1 587803453 PZDJOTYFBCLOFG-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CC[C@H]2c2ccccc2)N1 587817805 BCCRBRNUHNAANG-YFROIQMUSA-N 360.270 4.895 0 1 FJAF CC/C(=C/c1nc2ccc(C(=O)OC)c(OC)c2[nH]1)c1ccc(C)cc1 587966577 JBXBDTSBTPQRML-OWBHPGMISA-N 350.418 4.617 0 1 FJAF COc1cc2c(cc1OC)[C@@](C)(CCc1ccc(C)cc1)N(C)[C@H](C)C2 962630742 SSCWKEBXUANZOE-UZUQRXQVSA-N 353.506 4.737 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]12CCCOc1ccc(OC)cc12 963234980 RPOBPRROXLMYFT-SBUREZEXSA-N 351.490 4.768 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@H]1c1ccccc1OCCCOC 963243066 RHXSOCGYXPLDTN-WZONZLPQSA-N 353.506 4.848 0 1 FJAF CCC=C[C@H](CC)CC(C)=C[C@@](O)(CC)C[C@@](O)(C=CC(=O)O)CC 2356499334 AVSPCYKDNIUSRR-JBACZVJFSA-N 352.515 4.628 0 1 FJAF O=C(CSc1c[nH]c2ncccc12)Nc1ccc(Cl)c(Cl)c1 2382257923 KAPZWFLUNHKCGD-UHFFFAOYSA-N 352.246 4.601 0 1 FJAF O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC(c2ccccc2)=N1 13744722 JTSZTPRINPGPPC-UHFFFAOYSA-N 366.770 4.999 0 1 FJAF COc1ccc(C[C@H]2NCCc3c2[nH]c2c3ccc3ccccc32)cc1OC 26668798 BNAGTTVFXKJRPK-HXUWFJFHSA-N 372.468 4.768 0 1 FJAF CN[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2OC)c2ccc(OC)cc21 27552007 KQOFXEMMGRSCEY-XJKSGUPXSA-N 352.261 4.807 0 1 FJAF Cc1ccccc1-c1nc(N(C)CC(C)C)ncc1-c1nc(C)c(C)o1 82177286 KSKJAJBBQJVWSK-UHFFFAOYSA-N 350.466 4.816 0 1 FJAF O=C(NCc1ccccc1)Oc1ccc2ccccc2c1Br 84689422 OOPCPJKZTLSHKR-UHFFFAOYSA-N 356.219 4.891 0 1 FJAF CC(C)(C)c1ccc(OC(=O)N2CCc3c([nH]c4ccc(O)cc34)C2)cc1 95598107 AADBLBDNKSDEHY-UHFFFAOYSA-N 364.445 4.728 0 1 FJAF C/C1=C/CC[C@@](C)(O)/C=C/[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 169291203 AVRRAMZPNSQDIW-KOMORRDHSA-N 358.478 4.627 0 1 FJAF Fc1ccc(CNc2nc(N3CCCCC3)nc3cccc(F)c23)cc1 299835718 MMVYLNJMNCWUOW-UHFFFAOYSA-N 354.404 4.510 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)c(F)cc2[nH]1 586915594 GBWONDOPRMSPDJ-HXPMCKFVSA-N 358.800 4.572 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)nc(Cl)c3[nH]2)cs1 587022471 XGQVQEVUKKDMJY-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF Fc1cc(Br)ccc1-c1nc2cc(C(F)(F)F)ncc2[nH]1 587143083 VNYGVUMLQOUPIW-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)CC(c1ccc(F)cc1)(c1ccc(F)cc1)O2 587384964 QIWDZORDTBIOBN-UHFFFAOYSA-N 365.379 4.764 0 1 FJAF CC(=O)SC[C@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587533432 TVZPIQAVNAGZQW-QFIPXVFZSA-N 366.482 4.706 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccncc12 587587855 QHGARSIPTDFFRS-NFBKMPQASA-N 369.376 4.643 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(F)c(F)c2F)N1 587716746 DRNTWCZDASWXTJ-VGDKGRGNSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3cc[nH]c23)N1 587800516 BEYQJYAEYYIJKF-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(-c3noc(C)n3)c2)N1 962950610 RWPBCEUYHBZLMB-JXFKEZNVSA-N 358.445 4.540 0 1 FJAF CCCCC[C@](C)(O)/C=C/[C@H]1CCC(=O)[C@H]1CCCCCCC(=O)O 2382248398 KTEHTTNELUAQFC-REJXPUCSSA-N 352.515 4.894 0 1 FJAF CC1(C)OC(=O)C2=C(C[C@@H](c3ccccc3)O[C@H]2CCc2ccccc2)O1 61920923 FUGBLUHWHLQXMH-OALUTQOASA-N 364.441 4.713 0 3 FJAF COc1cc(C)cc2ccc(-c3ccc4c(c3O)[C@H](C)N[C@@H](C)C4)c(O)c12 1635099 UOMMAZXPQFOUSU-KBPBESRZSA-N 363.457 4.830 0 1 FJAF biogenic CC(C)c1ccc(O[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)O)cc1 13604695 DDHFRMARIGSPIH-QGZVFWFLSA-N 352.352 4.904 0 1 FJAF CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](O)(CF)CC[C@]4(C)[C@H]3CC[C@]12C 13760821 MVJZUJKUUZKDRX-HMWSDPSDSA-N 350.518 4.935 0 1 FJAF Cc1cc(CCCOc2c(Cl)cc(-c3noc(C)n3)cc2Cl)on1 26490260 NUSRRZODPFNUFC-UHFFFAOYSA-N 368.220 4.660 0 1 FJAF CCN1C(=O)CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@]45CCCO5)[C@H]3CC[C@@H]12 29412842 CAJALTAVRYNFRC-RFGFHXCZSA-N 359.554 4.789 0 1 FJAF N=C(Cc1ccc2ccccc2c1Cl)N1CCN(c2ccccc2)CC1 29415292 IEXGUEMFENEBSU-UHFFFAOYSA-N 363.892 4.835 0 1 FJAF CCCC[C@]1(CC(=O)O)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 38930486 WQHXUQNMTOLDDL-QGZVFWFLSA-N 356.249 4.908 0 1 FJAF Cc1cccc(-c2ccc(-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)cc2)c1 64527914 UVVZAQZJBLXNAD-UHFFFAOYSA-N 362.454 4.609 0 1 FJAF O=C(c1ccc(NCCn2ccnc2)cc1)[C@H]1C[C@H]1c1ccc(Cl)cc1 64559348 JVLXRJJBDSBUJQ-PMACEKPBSA-N 365.864 4.635 0 1 FJAF CCOc1ccc(CCNc2cc(-c3ccc(OCC)cc3)ncn2)cc1 82162221 HRXMXIQQTCGAMT-UHFFFAOYSA-N 363.461 4.596 0 1 FJAF CCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=NC(C)=C1C(=O)OC 100704074 NLUZSJYJRXEMAA-LJQANCHMSA-N 369.461 4.703 0 1 FJAF CN1[C@H]2CC[C@H]1CC(OC(=O)N(CC1CCCCC1)c1ccsc1)C2 101151935 FHNLUXLINNMPIP-IRXDYDNUSA-N 362.539 4.897 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4cc(N5CCN(C)CC5)ccc4[nH]3)cc2)o1 586905695 YZRMWJCAKGIJJM-UHFFFAOYSA-N 372.472 4.550 0 1 FJAF CC[C@H](Sc1nc(C)cc(O)n1)c1nc2cccc(C(C)(C)C)c2[nH]1 586963589 OUNIBHXXMIXPTL-AWEZNQCLSA-N 356.495 4.908 0 1 FJAF CC(C)(Oc1ccc(Br)cc1)c1nc2cncc(Cl)c2[nH]1 586997558 ZFAGWCYFFZHULL-UHFFFAOYSA-N 366.646 4.688 0 1 FJAF OCc1ccc2nc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[nH]c2c1 587110364 SHMWRCJWIIMPIB-UHFFFAOYSA-N 374.284 4.684 0 1 FJAF Cc1cnccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587335773 IFWBFNWTWCLLQL-IFMALSPDSA-N 363.388 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)c(C)c1)CC2=O 587473654 AYKFFMLWKMRMNC-QFIPXVFZSA-N 365.473 4.960 0 1 FJAF Cc1ccncc1[C@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515538 PKUDSISOQGZJAO-XMMPIXPASA-N 370.452 4.573 0 1 FJAF Cc1[nH]c2ccccc2c1[C@@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587587499 GTAKJYFZSCKJBC-REWPJTCUSA-N 371.392 4.885 0 1 FJAF CC[C@]1(c2ccccc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604857 ZNNHWWVVWUXCFJ-NFBKMPQASA-N 360.409 4.968 0 1 FJAF CC(C)c1[nH]c2c(c(Br)cc3n[nH]cc32)c1-c1cccnc1 587623747 OHBGQMQSNLBDIL-UHFFFAOYSA-N 355.239 4.992 0 1 FJAF Cc1ccc(F)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)c1 587721458 VVGIGZXWTRNEPX-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@H]2C[C@H]3C=C[C@H]2C3)N1 587820403 PFFSRPRHHRGPBB-FPPRRRHASA-N 350.275 4.550 0 1 FJAF CC[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Cn1nnc2ccccc21 1772633633 JDPCDRQVUIAHOG-HSZRJFAPSA-N 371.440 4.525 0 1 FJAF Cc1ccc(NC(=O)C2CCN(c3ncccc3Cl)CC2)cc1Cl 1857637582 WJEXBKFHMCCLBX-UHFFFAOYSA-N 364.276 4.552 0 1 FJAF CC(=O)Oc1c(O)c(C(C)C)cc2c1[C@]1(C(=O)O)CCCC(C)(C)[C@H]1CC2 2356430644 XXDPOBFOFASYAX-ZHRRBRCNSA-N 374.477 4.536 0 1 FJAF CCOc1ccccc1NC(=O)CSc1c[nH]c2cc(Cl)ccc12 2382250137 BPWXFPHDUBVWSI-UHFFFAOYSA-N 360.866 4.951 0 1 FJAF CN(C)Cc1csc(NC(=O)Nc2ccccc2-c2ccccc2)n1 61930170 JDNIYXFJOFFLQB-UHFFFAOYSA-N 352.463 4.516 0 3 FJAF CCCN(CCC)CCc1ccc(OCCc2ccccc2)cc1OC 13795733 VOGHRFUPPGCETI-UHFFFAOYSA-N 355.522 4.981 0 1 FJAF CC(=O)OC/C(=C/COc1cc(=O)oc2cccc(C)c12)CCC=C(C)C 15120620 DCKUODDYBYSEKX-WOJGMQOQSA-N 370.445 4.716 0 1 FJAF CC(C)=CCc1cc(/C=C/C(=O)O)ccc1OC(=O)CCc1ccccc1 15148217 BJIVLGIZOMJQRT-GXDHUFHOSA-N 364.441 4.831 0 1 FJAF O=C(CN(Cc1ccccc1)Cc1ccc2ccccc2c1)N1CCCCC1 45253552 MAHPQHLMACTPPB-UHFFFAOYSA-N 372.512 4.855 0 1 FJAF Clc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1Cl 96271437 TWXDHPSJAHLGPZ-UHFFFAOYSA-N 374.227 4.791 0 1 FJAF Fc1cccc(Cl)c1[C@@H]1C=C(c2cccc(Cl)c2)Nc2ncnn21 101962156 XHIYZOFSKZYPHO-HNNXBMFYSA-N 361.207 4.780 0 1 FJAF CSc1nc(Nc2ccc(Nc3ccccc3)cc2)nc(SC)n1 169700661 KCRIBBBUUZQAHY-UHFFFAOYSA-N 355.492 4.803 0 1 FJAF CCc1[nH]c(=O)c(Cc2ccc3ccccc3c2)c2cc(OC)c(OC)cc12 169703361 WDDKLHMVLDAROO-UHFFFAOYSA-N 373.452 4.852 0 1 FJAF CO[C@@H]1c2ccccc2[C@@H]2[C@H](C(=O)O)c3c(n(C)c4ccccc34)[C@H]2[C@H]1C 254071283 SAAHQXFSJMSMGY-UZLGGXFHSA-N 361.441 4.565 0 1 FJAF Oc1ccccc1-c1nc2ccc(Nc3ncnc4ccccc34)cc2[nH]1 299827076 FXCONVNZKYYYEP-UHFFFAOYSA-N 353.385 4.622 0 1 FJAF Cc1c(-c2cccc(N)c2)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586987037 JKIOLZZJCNCRMG-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF Cc1cnc2nc(-c3ccc(CSc4nc(C)cs4)cc3)[nH]c2c1 587021171 ISLXHRJSQVHZBH-UHFFFAOYSA-N 352.488 4.991 0 1 FJAF c1ccc(-c2nc3cnc4ccccc4c3[nH]2)c(OCc2cscn2)c1 587029426 PJBANOZPSJQTJY-UHFFFAOYSA-N 358.426 4.814 0 1 FJAF CCN1C(=O)C[C@@H](c2nc3cc(C)cc(C)c3[nH]2)[C@@H]1c1ccccc1Cl 587061387 LGSMISFOVLHVOY-QRWLVFNGSA-N 367.880 4.910 0 1 FJAF Cc1ccc(Cc2nc3cc(Br)cnc3[nH]2)cc1C(F)(F)F 587095103 PRWYIWMZDJDLRI-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF Fc1c(F)c(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c(F)c(F)c1S 587134903 QSEYMHZCSZSXKD-UHFFFAOYSA-N 368.142 4.777 0 1 FJAF C/C=C/COc1ccc(CC[C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587400888 SETQYAABHSOEKW-OIUIXCLQSA-N 365.473 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1nc(C(F)(F)F)cs1)CC2=O 587464765 XQJBXSBKNPZAME-INIZCTEOSA-N 371.380 4.701 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc3cccc(O)c3o1)CC2=O 587481927 NPMMGGFIKYWZQX-OAQYLSRUSA-N 352.386 4.677 0 1 FJAF C[C@@]1(C(F)(F)[C@@H](F)C(F)(F)F)CC(=O)c2ccc3c(c2O1)CCCC3 587499715 MKSFHMIDADAGCL-CABCVRRESA-N 366.301 4.825 0 1 FJAF CCc1nn(CC)c2c1[C@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587514653 HWCUQQSYCPOILE-QHCPKHFHSA-N 364.489 4.541 0 1 FJAF C[C@@]1(c2ccccc2-n2cccn2)CC(=O)c2ccc3c(c2O1)CCCC3 587517327 KXQHSFMPSHVQSI-QHCPKHFHSA-N 358.441 4.632 0 1 FJAF CC[C@@]1(c2cccc(C)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587601489 GMJJRSATHMAKCC-REWPJTCUSA-N 360.409 4.968 0 1 FJAF Cc1cc2c(o1)CCC[C@@]21N[C@H](C)Cc2ccc(F)c(Br)c21 587830452 FCACXFWYGKQPFU-MLCYQJTMSA-N 364.258 4.604 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=S)NC1CCC1 587861784 VMGBOPBULNVWNI-UHFFFAOYSA-N 370.305 4.531 0 1 FJAF Fc1ccc2c(c1)-c1cc(n(Cc3cccc(OC(F)(F)F)c3)n1)O2 587874117 QITYLMVIUBRESZ-UHFFFAOYSA-N 350.271 4.742 0 1 FJAF COc1ccccc1-c1cc(O)n(-c2ccc(O)c(-c3ccccc3)c2)c1O 587927759 XXUGCFOIYFYVJK-UHFFFAOYSA-N 373.408 4.937 0 1 FJAF COc1ccccc1-c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 587933416 XLLWNBBSCGGFJX-UHFFFAOYSA-N 370.334 4.714 0 1 FJAF COc1cccc([C@@H]2[C@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)c1 653884749 IPYHNVZRKHHBGI-GMKZXUHWSA-N 370.452 4.836 0 1 FJAF CCCn1nc(C)c(Cl)c1[C@H]1N[C@H](CC)Cc2c1[nH]c1ccccc21 962942810 BZMGSJJNODOZFY-YJYMSZOUSA-N 356.901 4.750 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2C1=C(Cl)c2ccccc2CC1 963640482 WDWIXUQFZFPQJR-DMZKTXOQSA-N 369.892 4.875 0 1 FJAF CN(C/C=C/c1ccc(C(F)(F)F)cc1)Cc1ccc2c(c1)OCCO2 1857537839 GQMFNHAAQJJKLA-NSCUHMNNSA-N 363.379 4.622 0 1 FJAF CC(=O)[C@@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 2356682236 PDKQWVGVSXAXRB-AZLXLHCOSA-N 374.565 4.800 0 1 FJAF CCCCN(C=O)c1c(CC)nc2c(OCc3ccccc3C)cccn12 61925673 GXCHVNIZTXIEFR-UHFFFAOYSA-N 365.477 4.547 0 3 FJAF O=C(NC1CCCC1)c1c(-c2ccccc2F)noc1-c1ccccc1 774923 CPTWHYAWKFEWMR-UHFFFAOYSA-N 350.393 4.820 0 1 FJAF COc1oc(CCCCCCCCC[C@@H](C)OC(C)=O)c(C)c(=O)c1C 14676582 BFZPIPVRMUCSCX-OAHLLOKOSA-N 366.498 4.880 0 1 FJAF biogenic COc1cccc2c1ncc1c(C)cn(-c3ccc(OC(C)=O)cc3C)c12 26717712 REJGYOAALGUKRO-UHFFFAOYSA-N 360.413 4.729 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 29128051 JLDPRWUTMGAVLL-AHWVRZQESA-N 372.556 4.860 0 1 FJAF c1ccc(Cn2c3c(c4ccccc42)CCN(CCc2ccccn2)C3)cc1 36093027 QHDUKKOEVFYFNN-UHFFFAOYSA-N 367.496 4.685 0 1 FJAF C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)[C@@H](c1ccccc1)C1CCCC1 36188236 UXGYHPCEXONQIZ-KNKQGSTJSA-N 356.554 4.730 0 1 FJAF COc1nc(Nc2ccc(-c3nc4ccccc4s3)cc2)c2cc[nH]c2n1 40866839 OJBMEBMIUCBAAE-UHFFFAOYSA-N 373.441 4.987 0 1 FJAF Cc1ccccc1-c1nc(CNCc2ccccc2OC(F)(F)F)co1 72182794 INJOERCIRROSDE-UHFFFAOYSA-N 362.351 4.838 0 1 FJAF COc1ccc(Oc2c(Cl)cnn([C@@H](C)c3ccccc3C)c2=O)cc1 73335280 OJXKJBYYFCOCNO-AWEZNQCLSA-N 370.836 4.615 0 1 FJAF Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)c(C(C)C)cc1O 84690944 HUPAPDTVZLXOOA-UHFFFAOYSA-N 362.882 4.604 0 1 FJAF Cc1ccc(NC(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)Nc2ccc(C)cc2)cc1 106594431 BWLIEAZBZIXWPK-YHDSQAASSA-N 374.484 4.709 0 1 FJAF biogenic Cc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)c1 169303785 ZUSOJHCYWNWOHQ-UHFFFAOYSA-N 373.456 4.566 0 1 FJAF CC(=O)Nc1ccc(-c2cc3ccnc4c3c(n2)-c2sccc2C4=O)cc1 211034716 GVBALYSJFJUZCH-UHFFFAOYSA-N 371.421 4.528 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1Cc1c2n[nH]c1-c1cccnc1 299807176 HBDCNILCSISVQF-NMNFXAFOSA-N 371.484 4.747 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(C(F)(F)F)c(F)cc3[nH]2)cc1 586891708 UZSFTYUTHDFRCC-QLJPJBMISA-N 352.331 4.866 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CCC[C@H]3[C@H]1CCOC1 586992051 SFCLRQBNNKXFIS-KBPBESRZSA-N 371.436 4.608 0 1 FJAF CCOC(=O)[C@H](Cc1ccc(Cl)cc1)c1cc2c3c(cccc3n1)CC2 587209551 QZTSNCNPCNHGKW-GOSISDBHSA-N 365.860 4.876 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Br)ccc1Cl)O2 587377831 PBKAMBVCOZTWKL-OAHLLOKOSA-N 366.642 4.700 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(C)oc3ccc(O)cc13)CC2=O 587478256 GXQJLHREUQJTCP-JOCHJYFZSA-N 366.413 4.986 0 1 FJAF C[C@@]1(c2ccncc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587498751 QCASIPCWLXBGRB-IBGZPJMESA-N 372.262 4.604 0 1 FJAF C[C@@H]1CC(C)(C)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603329 MCVVNESTDHPZFC-KEQGGVEFSA-N 352.430 4.939 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2c[nH]c3ccccc23)N1 587801462 GQWTYYPBTIYIFI-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF CC1=C[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H]2C[C@@H]1C2(C)C 587817518 LJTACMYHVWQEPV-RITXZDDDSA-N 364.302 4.940 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818567 IQZXMVJVJGDUDH-IJDPYKPMSA-N 360.270 4.967 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2sccc2Cl)N1 587844595 OMADKOOKNUHPOS-CPFSXVBKSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=S)Nc1ccc(C)cc1 587872607 PFHASZLJCKZQGC-UHFFFAOYSA-N 355.438 4.641 0 1 FJAF COc1cc(O)cc(-c2cccc(-c3nc4cc(OC)c(C)cc4[nH]3)c2)c1 587930583 DIFXTKVIHDRCDY-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF COc1cc2c(cc1OC)[C@]1(C[C@H](OC(C)(C)C)C13CCC3)N(C)[C@H](C)C2 962620969 ANZQYGGJBATVTL-XLHILCRZSA-N 373.537 4.533 0 1 FJAF COc1cc2c(cc1OC)[C@]1(CC[C@H](c3ccccc3)C1)N(C)[C@H](C)C2 962631109 QIKULXJJAVNYPU-WLENULPWSA-N 351.490 4.743 0 1 FJAF Cc1[nH]c(C)c([C@@H]2c3c(F)cccc3C[C@H]3CCCN23)c1Br 963103266 KXHMSNHLRCZZJN-FZKQIMNGSA-N 363.274 4.643 0 1 FJAF COc1ccccc1-c1cc(-c2cccc(OC(F)(F)F)c2)cnc1N 1857596429 BZDIWWOMPFIYOI-UHFFFAOYSA-N 360.335 4.905 0 1 FJAF CC(C)C[C@@H](N)c1csc(NC(=O)Nc2ccc(F)c(Cl)c2)n1 1857614050 IIBWFOINLJQYSZ-GFCCVEGCSA-N 356.854 4.626 0 1 FJAF CC1=CCC[C@](C)(CC(=O)C[C@]2(C)CCc3cc(O)cc(C)c3O2)OC1 1857748669 OWDNDBKSRBZYRL-YADHBBJMSA-N 358.478 4.649 0 1 FJAF CN1C[C@H]2CC[C@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23C1 2356379151 JTQMMTMDFJMALN-DVHFQZNWSA-N 356.598 4.811 0 1 FJAF CCCC[C@@H]1Cc2[nH]c(=S)[nH]c(=O)c2[C@H](c2ccc(C(C)C)cc2)O1 95566994 RMWUUAXMODOHIW-QAPCUYQASA-N 358.507 4.777 0 3 FJAF OC1(c2ccc(Cl)cc2)CCN(Cc2ccc3ccccc3c2)CC1 13553168 GTRPYZVIGHPHBR-UHFFFAOYSA-N 351.877 4.977 0 1 FJAF CCOc1ccc(Nc2onc(-c3ccc(Cl)cc3)c2C(=O)OC)cc1 15821685 UZHGVZWHEFEYAV-UHFFFAOYSA-N 372.808 4.924 0 1 FJAF COc1cccc(C(=O)O)c1NC(=O)/C=C/c1ccc(-c2ccccc2)cc1 28012984 ZEDQWOLWCMIMAO-NTCAYCPXSA-N 373.408 4.712 0 1 FJAF OC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)[C@@H]1CC2CCN1CC2 29545828 CHYXCKLGWUYORO-IBGZPJMESA-N 362.300 4.714 0 1 FJAF Cc1cc(N(Cc2ccccc2)c2ccc3ccccc3c2)n2ncnc2n1 40424025 GORJITBKOQHVAT-UHFFFAOYSA-N 365.440 4.924 0 1 FJAF Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2cnccc21 40764225 AGZCMTAEJPPZBV-UHFFFAOYSA-N 357.310 4.703 0 1 FJAF O=C(OCc1ccccc1)c1coc(-c2cccnc2Oc2ccccc2)n1 49055671 OYIIJYVNXNZVPX-UHFFFAOYSA-N 372.380 4.886 0 1 FJAF Oc1nc(CN2CCCCC2)nc2cc(-c3c[nH]c4ccccc34)sc12 96909541 MQMBAYUVPRKSAJ-UHFFFAOYSA-N 364.474 4.531 0 1 FJAF CN1[C@H]2CC[C@H]1CC(Oc1ccc(Br)cc1)(c1ccccc1)C2 101506825 XHYHVAYZMMJUNP-ROUUACIJSA-N 372.306 4.980 0 1 FJAF CC(C)c1ccc(Oc2ccc(F)cc2C(=O)Nc2cc[nH]c(=O)c2)cc1 143197605 GNEXXGMTEPRYJA-UHFFFAOYSA-N 366.392 4.682 0 1 FJAF CC[C@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370025 RPIWNKCKNAVMOS-GSDGSMBQSA-N 359.554 4.739 0 1 FJAF Cc1c(Br)cc2nc(/C=C\c3ccccc3C(=O)O)[nH]c2c1C 586882126 KJRWTEIQZBXKBC-FPLPWBNLSA-N 371.234 4.811 0 1 FJAF Cc1c(-c2cnn(C)c2C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587097967 RBZBBGWZWVMOOU-UHFFFAOYSA-N 353.425 4.772 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](CCCCOc1ccccc1)CC2=O 587477618 DHVKPYRKHRYMBH-KRWDZBQOSA-N 354.446 4.928 0 1 FJAF CC(=O)c1cc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c(C)nc1C 587518473 IXXUPNJESKUTDJ-QHCPKHFHSA-N 363.457 4.660 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@@H]1C[C@H]1c1ccccc1 587602838 LJRJJXDXGJCKCF-XHDSLABCSA-N 358.393 4.526 0 1 FJAF Cc1cc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)ccc1F 587721924 WWIJUNBFARNWLV-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(Cc2cccc(F)c2)N1 587735563 XTOKWJFNLCGOJS-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(C)s1 587845026 QFPCIEJBROICRP-VPTHRUTESA-N 354.288 4.890 0 1 FJAF COc1ccc([C@@H]2COc3cc(OCCCCC(C)(C)O)ccc3C2)cc1 1857644799 OHZZLQYPPFMXKB-IBGZPJMESA-N 370.489 4.734 0 1 FJAF CCOP(=O)(OCC)[C@@H](Nc1ncccn1)c1ccccc1Cl 1857656497 WBDWMGWJLSZYPM-CQSZACIVSA-N 355.762 4.507 0 1 FJAF CCC[C@@H](Nc1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)c1ccccc1 1857745421 MKXAMXPDWRVKHM-OXJNMPFZSA-N 363.505 4.974 0 1 FJAF COCC1=CC[C@@H]2C(C)(C)CCC[C@]2(C)[C@@]12CC[C@@](C)(CC(=O)OC)O2 2356510208 QAJXVRMXWXMPBX-KDXIVRHGSA-N 364.526 4.667 0 1 FJAF C[C@@H](CCc1ccccc1)NC(=O)COC(=O)C1CCC(C(C)(C)C)CC1 3252769 WVZVXOCYNYNXCY-KKXNLOMOSA-N 373.537 4.520 0 3 FJAF CCCCNC(=O)c1c(C(C)(C)C)noc1-c1c(F)cccc1Cl 2485134 ZMKUHDFLMPXDFO-UHFFFAOYSA-N 352.837 4.962 0 1 FJAF C[C@@H](c1ccccc1)n1c2ccccc2c2c(N)nc(-c3ccccn3)nc21 27524151 FBDUOCLVZXFOCM-HNNXBMFYSA-N 365.440 4.838 0 1 FJAF CCCCNc1nnc(-c2sc(SC)c3c2CCCC3=O)s1 28357455 PTYDXTSNBMMWPE-UHFFFAOYSA-N 353.538 4.720 0 1 FJAF O=C(c1ccccc1CNc1ccc(Cl)cc1)n1ccc2cnccc21 28569817 JCHCHYVWGZMTJR-UHFFFAOYSA-N 361.832 4.990 0 1 FJAF CC[C@@H](O)c1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3 45314954 FUFRFLWNWBDQQA-IEEQIXEPSA-N 369.549 4.694 0 1 FJAF COc1cc2ncnc(Nc3nc4c(Cl)cccc4s3)c2cc1OC 66157038 HXRWBZALEMYXFK-UHFFFAOYSA-N 372.837 4.654 0 1 FJAF c1ccc(-c2cc(Nc3cccc(N4CCCCC4)n3)c3nccn3n2)cc1 95577502 MKOUOEYIRHMYJE-UHFFFAOYSA-N 370.460 4.525 0 1 FJAF CC1=C2CC[C@@](C)(O)[C@@H]2[C@H]2OC(=O)/C(=C/c3ccc(Cl)cc3)[C@@H]2CC1 96939256 YSEYPPGCFAMJBT-OZOCIEKXSA-N 358.865 4.536 0 1 FJAF FC(F)(F)Oc1cc2nc(C(F)(F)c3ccccn3)[nH]c2cc1Cl 587089678 GATHTDFCRDDUKU-UHFFFAOYSA-N 363.673 4.650 0 1 FJAF N[C@@]1(c2nc3cc(C(F)(F)F)c(Cl)cc3[nH]2)C[C@@H]1c1ccccc1F 587155686 KBISFFRXNHKRAO-HWPZZCPQSA-N 369.749 4.716 0 1 FJAF Cc1ccc2nc(Cc3csc4nc(-c5ccc(F)cc5)cn34)[nH]c2c1 587166671 ZUYOGMQUCJKGLQ-UHFFFAOYSA-N 362.433 4.977 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(N3CCCCCC3)cc1)O2 587397427 APDWOTSYZLFZNR-QHCPKHFHSA-N 364.489 4.838 0 1 FJAF CC(C)(C)n1ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587575867 GPEMPLULBUFMGB-RXVVDRJESA-N 363.413 4.652 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CC[C@@H]2c1ccccc1 587603320 LXXSQTDOZWDRGH-DHJUGAMNSA-N 358.393 4.670 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccccc3F)c2c1 587642705 PKXIIRITIUEOTC-GFCCVEGCSA-N 353.393 4.838 0 1 FJAF CCc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587816696 ZZOLORJZTQSKOT-HXPMCKFVSA-N 362.286 4.948 0 1 FJAF Cc1ccc2c(c1)[C@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816714 BYUFCBUKYKPFQH-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF Cc1ccc([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848344 NUHILTINQNZHMF-FVMDXXJSSA-N 354.288 4.756 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)cc1OC 587928549 JQHJBPLVHRYHAP-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF COc1cc2nc(CCCCCCCCCCCCC(=O)O)[nH]c2cn1 587956752 AHGZLBNPNJHSBA-UHFFFAOYSA-N 361.486 4.885 0 1 FJAF CN1C(=O)C[C@@H]2CN[C@](c3ccsc3)(C3CCCCC3)c3cccc1c32 963020275 FAMLDADSYFPFAG-QRQCRPRQSA-N 366.530 4.625 0 1 FJAF COc1ccccc1CNC(=O)c1c(C(C)(C)C)noc1-c1ccccc1 775928 DKBUYWHEJHTKAZ-UHFFFAOYSA-N 364.445 4.578 0 1 FJAF Cc1cc(N)c2cc(NC(=O)/C=C/c3ccc(C(F)(F)F)cc3)ccc2n1 13448054 DOZGFBDFGIPWCL-RUDMXATFSA-N 371.362 4.796 0 1 FJAF CCc1cc(CC)n2nc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)c2n1 13584988 VGDPQBURLCZHSY-UHFFFAOYSA-N 359.429 4.599 0 1 FJAF O=c1[nH]c2cc(C(F)(F)F)ccc2cc1-c1csc(-c2ccncc2)n1 14974722 PNYMCFQCHXFMCI-UHFFFAOYSA-N 373.359 4.732 0 1 FJAF Cc1ccc(CN2CCC(NC(=O)c3ccc4ccccc4c3)CC2)cc1 28821389 RBTINXLOMJSVQS-UHFFFAOYSA-N 358.485 4.543 0 1 FJAF Oc1ccc([C@H]2CC(c3ccccc3)=NN2C(=S)Nc2ccccc2)cc1 40897524 KBWRDVRNLUGJPD-OAQYLSRUSA-N 373.481 4.940 0 1 FJAF CC(C)=CCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)coc2c(C)c1O 45336493 GVEGADZLQZAHRE-UHFFFAOYSA-N 364.397 4.711 0 1 FJAF CCOC(=O)c1ccc(-c2ccc(OCCCN3CCCCC3)cc2)cc1 59808508 MJOSWDSZKHMYMF-UHFFFAOYSA-N 367.489 4.785 0 1 FJAF COc1ccc(/C=C\c2cc(=N)c3ccccc3[nH]2)cc1Br 64585896 MJCWABWVXSCOAC-VURMDHGXSA-N 355.235 4.589 0 1 FJAF O=c1[nH]c(=S)[nH]c(-c2cccs2)c1Cc1c(O)ccc2ccccc12 72170968 SMZPNFYKHZVGMP-UHFFFAOYSA-N 366.467 4.611 0 1 FJAF CC(=O)CCCCCCCCCCCCC[C@@H]1OC(=O)[C@H](C)[C@H]1C(=O)O 86037217 SPGPUDJMXMJNCU-CEXWTWQISA-N 368.514 4.909 0 1 FJAF biogenic C[C@@H]1CCCN1c1cccc(Nc2cc(-c3ccccc3)nn3ccnc23)n1 95571747 OLNOLIZABHZSEW-MRXNPFEDSA-N 370.460 4.524 0 1 FJAF COc1cccc(OC)c1-c1cc(C)c2nc(Nc3ccccc3)nnc2c1 96167692 MKOLXWVBZSYQAX-UHFFFAOYSA-N 372.428 4.761 0 1 FJAF CSc1nc(N)c2c(n1)N=C1CC(C)(C)CC(O)=C1[C@@H]2c1ccccc1 103662158 HDLWJZYEOPZNMK-AWEZNQCLSA-N 366.490 4.631 0 1 FJAF Fc1ccc(-c2nc(Cl)c(Cc3ccccc3F)c(Cl)n2)nc1 116189946 GRTUCCZRVAWTQT-UHFFFAOYSA-N 352.171 4.714 0 1 FJAF COc1cccc(-c2csc(C(=O)N(C)c3cccc(OC)c3)c2)c1 169351564 HAYUAPLAHDTHBX-UHFFFAOYSA-N 353.443 4.709 0 1 FJAF COc1cccc([C@H]2CC(=O)[C@@H]3Sc4cc(F)ccc4N=C3C2)c1OC 169715457 LWFXBLUNKCDGDV-BIBXISHDSA-N 371.433 4.536 0 1 FJAF CC(=O)OC/C(=C\CC/C(C)=C\CO)CCC[C@H](C)C(=O)CC=C(C)C 206925646 LDJJMUSJYLVPLC-BJKZMBAESA-N 364.526 4.927 0 1 FJAF Nc1cnc(-c2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2F)cn1 224764987 SLRZUUQEIYJEQH-UHFFFAOYSA-N 367.277 4.570 0 1 FJAF N=c1ccccn1CCCCCCCCCCCCn1ccccc1=N 377444189 INLLZWDEFDHBMY-UHFFFAOYSA-N 354.542 4.850 0 1 FJAF Cc1cc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc(C)n1 586987985 JVJPHJFRLKXDPS-UHFFFAOYSA-N 352.393 4.831 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OC(F)(F)O5)cs2)o1 587015770 BBCOXPGAKNXGHC-UHFFFAOYSA-N 361.329 4.576 0 1 FJAF Fc1cc2[nH]c([C@H]3SCCc4sccc43)nc2cc1Br 587036480 CNSOXWDDNFFQBW-ZDUSSCGKSA-N 369.284 4.905 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3cccc(Br)c3[nH]2)c1 587049383 HTMFGIOZPLZCJS-UHFFFAOYSA-N 364.630 4.604 0 1 FJAF C[C@H](c1nc2ccc(Br)nc2[nH]1)c1ccccc1C(F)(F)F 587097104 FBDJJRJXPTUISU-QMMMGPOBSA-N 370.172 4.891 0 1 FJAF CCc1c([C@H](CC)C(=O)OC)nc2cccc3c2c1-c1ccccc1C3=O 587106689 NEEUEFXBABAYIF-AWEZNQCLSA-N 359.425 4.675 0 1 FJAF CCOc1cc(/C=C\c2nc3c(C)nc(C)cc3[nH]2)ccc1OC(F)F 587129031 AUVSOEMIRLCJFD-VURMDHGXSA-N 359.376 4.745 0 1 FJAF CC(=O)Nc1ccc(Br)cc1-c1cc2c3c(cccc3n1)CC2 587207475 FJRCHKZEQUGMQG-UHFFFAOYSA-N 367.246 4.721 0 1 FJAF C=CC(=O)Nc1ccc(-c2nc3c(OCc4ccccc4)cccc3[nH]2)cc1 587244752 TYOPXKTUQUDQGC-UHFFFAOYSA-N 369.424 4.933 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C=C(C(=O)O)C3)c1 587367678 YSIRTLUHFDCGQE-UHFFFAOYSA-N 357.365 4.681 0 1 FJAF Cc1ccc(-c2ccc(-c3ccc4c(O)nc(O)nc4n3)cc2)c(Cl)c1 587369255 XDDYPJMWZSWTNC-UHFFFAOYSA-N 363.804 4.732 0 1 FJAF CCC[C@@H](OC)c1ccc([C@@]2(C)CC(=O)c3cc(C)cc(N)c3O2)cc1 587402616 ZYNPHAFYNSLDLR-IFMALSPDSA-N 353.462 4.945 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCc3cc(OC)ccc31)CC2=O 587482029 QZSSNVAFKVQKQY-HSZRJFAPSA-N 366.457 4.940 0 1 FJAF Cc1ccc([C@]2(CCC(=O)O)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587530374 TYNKNELRSZSCCM-QHCPKHFHSA-N 364.441 4.599 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2)N1 587704457 UMTCCQIDMMIOQH-XXFAHNHDSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@@H]2C[C@H]3C=C[C@@H]2C3)N1 587820418 PFFSRPRHHRGPBB-MNXLVCHVSA-N 350.275 4.550 0 1 FJAF CS[C@@H]1CCCC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587843914 KTERTAKFUMNQFD-WNMQOVRZSA-N 358.320 4.623 0 1 FJAF CSc1ccccc1[C@@H]1N[C@@H](C)Cc2ccc(F)c(Br)c21 587847640 UZEFOKCUIQLUTD-BTDLBPIBSA-N 366.299 4.934 0 1 FJAF O=C(c1ccccc1)c1ccc2[nH]c(C(=O)CCc3ccccc3)nc2c1 587953028 DEMCXANMDSPQAD-UHFFFAOYSA-N 354.409 4.609 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1cnc(-c3cccc4ccccc34)nc1)NCC2 962373629 IOMVIYXMLLVEFZ-HSZRJFAPSA-N 369.443 4.979 0 1 FJAF COc1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1OC(F)F 963102071 KCBGGHDYZPUZRR-KUHUBIRLSA-N 363.379 4.546 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@@]2(Cc1cccc(F)c1)C(F)(F)F 963260800 ZRJUBFNPPDYLHG-QGZVFWFLSA-N 373.777 4.634 0 1 FJAF Cc1ccc([C@@H](O)c2nc(-c3ccccc3C(F)(F)F)c[nH]2)cc1F 61902914 FPVCKQQGDHQZQD-MRXNPFEDSA-N 350.315 4.625 0 3 FJAF CCC[C@@H]1[C@@H]2CCCC(=O)N3CCC[C@@]23CC[C@H]1NCc1cccs1 206042836 LVYORDGNDWLYBP-RCLSDMTESA-N 360.567 4.578 0 3 FJAF CC1(C)CCC[C@]2(C)[C@@H]1CC[C@@](C)(O)[C@@H]2Cc1cc(C(=O)O)ccc1O 13452636 DJYPQIMHETVCBJ-MCEIDBOGSA-N 360.494 4.627 0 1 FJAF biogenic COc1c(C(C)C)cc2c(c1O)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@H]2OC 14774449 VZMATVDJEYJHLC-ZMPRRUGASA-N 360.494 4.878 0 1 FJAF biogenic COc1ccc(OC)c(-c2cc3ccccc3nc2SCCN(C)C)c1 26294415 GWODHXBLLHLRNA-UHFFFAOYSA-N 368.502 4.573 0 1 FJAF COc1cc(OC)c2c(=O)c(C)c(-c3ccc(C(F)(F)F)cc3)oc2c1 27091074 VCWDSTDYHPUVKY-UHFFFAOYSA-N 364.319 4.804 0 1 FJAF Cc1c(NC(=O)N2CCOCC2)cc(C)c2c1c1ccccc1n2C(C)C 27102005 NPVSYVVVVTWGIO-UHFFFAOYSA-N 365.477 4.856 0 1 FJAF CC(C)CNc1nc(CCc2ccccc2)cc(NCc2ccccc2)n1 34875814 CRPOCJZOZPVALN-UHFFFAOYSA-N 360.505 4.942 0 1 FJAF Cc1cc(OCCCCn2ccnc2)nn1-c1ccc(Cl)c(Cl)c1 35931050 ORJIYYSDOLEENL-UHFFFAOYSA-N 365.264 4.543 0 1 FJAF CCCC(=O)Nc1nc(-c2ccc(F)cc2)cc(-c2ccc(F)cc2)n1 66112742 DLUVXOHQCCOBJI-UHFFFAOYSA-N 353.372 4.827 0 1 FJAF COc1cc(N[C@H](C)CCCN)c2nccc(CC3CCCCC3)c2c1 169329218 FEGDZHPGXCANQG-MRXNPFEDSA-N 355.526 4.906 0 1 FJAF Cc1ccc(C(=O)C[C@H]2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc1 299830639 XOTNCGWKXPYERR-XMMPIXPASA-N 372.420 4.981 0 1 FJAF Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)cc1N 586986466 BEBSBSHCEUBWDP-UHFFFAOYSA-N 352.393 4.709 0 1 FJAF CC(C)(C)c1cccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587006512 MCNOWGFCAIFVBK-UHFFFAOYSA-N 369.266 4.938 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3ccccc3OCc3cscn3)nc12 587029774 UOJCFTYCCRYMBH-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF Cc1c(F)ccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587557818 OQIQTFQQTZXQKF-UWJYYQICSA-N 368.335 4.682 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C1CC1 587602071 IQGZHHPWMTYXAU-NZQKXSOJSA-N 358.393 4.659 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(CCc3ccccc3C2)N1 587817219 JKVHKTCRTSZMLG-BLVKFPJESA-N 360.270 4.507 0 1 FJAF CCc1ccc(O[C@@H](C)C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587873613 JOLSYTNFCGDCNC-LBPRGKRZSA-N 352.365 4.465 0 1 FJAF N[C@@H]1CCc2c(Cl)cccc2[C@@]12NCCc1cc(-c3ccccc3)ccc12 962671858 XHHGKMDIKGBNBV-DNQXCXABSA-N 374.915 4.670 0 1 FJAF CC(C)(c1ccccc1)[C@@]1(C)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962730437 NRMHQMGQLKIQEN-XLIONFOSSA-N 361.407 4.525 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccn2C(=O)OC(C)(C)C)N1 962962898 YSLWGNBRBTYJEU-JLTOFOAXSA-N 365.477 4.766 0 1 FJAF Cc1ccc([C@@]2(C3CCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)c(C)c1 963030405 QUDAMLAMABDRGS-AVRWGWEMSA-N 374.528 4.791 0 1 FJAF OCc1ccc(-c2cnc3ccc(-c4cccc(C(F)(F)F)c4)nn23)cc1 1857601780 XGPCKKBOBILEDC-UHFFFAOYSA-N 369.346 4.574 0 1 FJAF CC[C@H]1C(c2ccc(C(F)(F)F)cc2)=C(O)C(=O)N1Cc1ccccc1 1857651015 QVSUQKNFVSUZPH-INIZCTEOSA-N 361.363 4.796 0 1 FJAF O=C(O[C@H]1CCCc2nc(Nc3ccc(Cl)cc3)sc21)n1ccnc1 1857774978 QSPCRTIEICPBDS-AWEZNQCLSA-N 374.853 4.799 0 1 FJAF CCCCNC(=O)c1[nH]c(C)c(Cc2ccc(C(F)(F)F)cc2)c1C 1911579266 UJZHAIGLKZLRTN-UHFFFAOYSA-N 352.400 4.771 0 1 FJAF Cc1ncc2c(Nc3ccccc3Br)nc3ccccc3n12 13441504 OGXLNMDQPNBMBM-UHFFFAOYSA-N 353.223 4.697 0 1 FJAF CCCCNc1nc(C)nc2c(-c3ccc(Cl)cc3Cl)n(C)nc12 13445099 CXRGDUPVJBJFNF-UHFFFAOYSA-N 364.280 4.858 0 1 FJAF 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C[C@H](c1ccccc1)n1c2c(c3c(N)nc(-c4cccnc4)nc31)CCCC2 13835483 VVJAQXFZVMHPRV-OAHLLOKOSA-N 369.472 4.564 0 1 FJAF C[C@@H](CCN1CCC[C@@H](C)C1)[C@@H](C)S(=O)(=O)c1cccc2ccccc12 27643875 NSIUOUDAPUEWFM-CEXWTWQISA-N 373.562 4.760 0 1 FJAF CNCCC[C@@H]1Cc2ccccc2N(c2ccc(Cl)c(Cl)c2)C1=O 28526960 YQMJGYZSSOOMCO-CQSZACIVSA-N 363.288 4.830 0 1 FJAF O=C(N[C@H](c1ccc(Cl)cc1)c1cccnc1)c1ccc(Cl)cc1 72100826 YXHZFHGWHVPVSS-GOSISDBHSA-N 357.240 4.908 0 1 FJAF O=C(O)/C=C/[C@H](CCCCCCCCCCCCCO)Nc1[cH-]ccn1 85510435 WQHCFHNVDZJJJE-VVLLFNJHSA-N 363.522 4.895 0 1 FJAF biogenic,in-vitro CC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C[C@H](CC[C@@H]12)[C@H](C(=O)O)C3 85956517 ZKXLEDOCSSUHKY-BQIMLZQESA-N 362.510 4.663 0 1 FJAF in-man NC(=O)c1ccccc1Nc1ccnc(Nc2ccc3ccccc3c2)c1 169330400 LUFSGAICKIVKOU-UHFFFAOYSA-N 354.413 4.821 0 1 FJAF CC(C)Cn1ncc2c1[C@@]1(C)CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@H]1C2 299807564 UOQUGIWUWKCTLJ-FQOCKNPQSA-N 350.506 4.815 0 1 FJAF O=C(O)/C=C\c1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586878298 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366.259 4.755 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1NC(=O)OC(C)(C)C)O2 587390660 PLUJJDFJDYFGAW-SFHVURJKSA-N 368.433 4.631 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3)nc1)CC2=O 587486527 CFIGUUJYNXAMOH-HXUWFJFHSA-N 360.413 4.508 0 1 FJAF COc1ccc(C[C@@H](C)[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587527211 VSXGFQSDGQBBTH-IVZQSRNASA-N 350.458 4.787 0 1 FJAF Cc1cccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1F 587568009 JMCUPHXIECFMLZ-UTKZUKDTSA-N 350.345 4.543 0 1 FJAF COc1ccc(OC)c(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)c1 587633796 MDMDNKCZWNGQEC-UHFFFAOYSA-N 367.298 4.574 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2cccs2)(C2CC2)N1 587855493 WAGYMYNIBNJRDE-QGHHPUGFSA-N 366.299 4.838 0 1 FJAF COc1cc(C)cc(OC)c1[C@H]1NCCc2cc(-c3ccccc3)ccc21 962657264 AIKONZMJPSWKQM-DEOSSOPVSA-N 359.469 4.914 0 1 FJAF CCOc1ccc([C@H]2c3ccsc3CCN2Cc2cccnc2)c(F)c1 963002042 YRKWFJBDXMXNMO-NRFANRHFSA-N 368.477 4.829 0 1 FJAF Fc1ccc(-c2cc([C@H]3c4ccc(F)cc4C[C@H]4CCCN43)no2)cc1 963107581 RYFLXQINQQLFNK-DYESRHJHSA-N 352.384 4.730 0 1 FJAF C[C@]1(C(c2ccccc2)c2ccccc2)NCCc2c(C(=O)O)cccc21 963134274 DMILNCXPWUABMG-DEOSSOPVSA-N 357.453 4.578 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2C1=C(Cl)c2ccccc2CC1 963640486 WDWIXUQFZFPQJR-WHEQGISXSA-N 369.892 4.875 0 1 FJAF Cc1cc(-c2nc(-c3cccc(Cl)c3)n3c2CCO[C@H](C)C3)ccn1 1772590456 KNRRAFJMQKITIH-CQSZACIVSA-N 353.853 4.535 0 1 FJAF COC(=O)CC=C[C@@H](C)[C@H](OCc1ccccc1Br)C(C)C 1857621840 ZNXUGWNPKPHYLU-RDTXWAMCSA-N 369.299 4.746 0 1 FJAF COc1ccc2c(c1)[C@@H]1[C@@H](CO2)C(c2ccccc2)=NN1c1ccccc1 5823943 GEVHBTFEMMAPPF-NZQKXSOJSA-N 356.425 4.669 0 1 FJAF Cc1oc(-c2cccc(Oc3ccccc3)c2)nc1CN(C)[C@H]1CCOC1 12373266 ODJNSKLZIWFMQY-SFHVURJKSA-N 364.445 4.663 0 1 FJAF O=C1CCC[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1 13730577 VCVZGOIXEBRSDB-QGZVFWFLSA-N 363.486 4.505 0 1 FJAF Cc1ccc([C@@H]2C[C@@](Cn3ccnc3)(c3ccc(Cl)cc3)N(C)O2)cc1 26165246 PVSGWGTXWGYMKX-LEWJYISDSA-N 367.880 4.749 0 1 FJAF O=C(O)Cc1sc(-c2nsc3ccccc23)nc1-c1ccccc1 26483849 SMRQAUOHASBBRI-UHFFFAOYSA-N 352.440 4.714 0 1 FJAF Cc1ccc(C(=O)Oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)cc1 27990502 RSWUAFOPORXGOZ-UHFFFAOYSA-N 372.376 4.693 0 1 FJAF C[C@]12CC[C@@H]3c4cc(Br)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O 35966610 HDRDXBUMXMJISX-QPWUGHHJSA-N 363.295 4.970 0 1 FJAF CC(=O)Nc1cc(C)nc2ccc(NC(=O)Nc3ccc(Cl)cc3)cc12 40393859 SCSCVZBHBZKQKO-UHFFFAOYSA-N 368.824 4.799 0 1 FJAF Cc1ccc(NC(=O)C2CCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40918298 JJJLZXCDKRVODP-UHFFFAOYSA-N 362.473 4.540 0 1 FJAF Cc1ccc(C[C@H](C)NC[C@H](O)c2cccc(C(F)(F)F)c2)c(C)c1 45301185 LLOBTJUATYGLGK-KXBFYZLASA-N 351.412 4.576 0 1 FJAF Cc1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(C)cc3)C2)cc1 45358495 JXAIYQIJHNJUEB-DNQXCXABSA-N 350.550 4.989 0 1 FJAF O=C(O)C[C@@]1(C2CCCC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49112268 AKONFVDGMSCXDM-SFHVURJKSA-N 368.260 4.908 0 1 FJAF Fc1cccc(Cl)c1[C@H]1C[C@@H](c2cccc(Cl)c2)Nc2ncnn21 72111985 AJCWHKAAYSQCIM-LSDHHAIUSA-N 363.223 4.870 0 1 FJAF Cc1cc(Cl)cc2[nH]c(C[C@@H](CC(=O)O)c3ccc(Cl)cc3)nc12 72118941 CIUUEGRUXUPADW-LBPRGKRZSA-N 363.244 4.979 0 1 FJAF CCOc1ccc(-c2nc(CN[C@@H]3C[C@@H]4C[C@H]([C@H]3C)C4(C)C)co2)cc1 72181661 UYYNNPPQRIBMQK-HIBPSGHXSA-N 354.494 4.901 0 1 FJAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4cccs4)s1)CN32 100884214 BLOLSIOUOOBUTD-KBSFTQAASA-N 371.527 4.516 0 1 FJAF CCN1C(=O)C(Cc2ccccc2)(Cc2ccccc2)[C@@H](O)c2ccccc21 169346097 MEHYSALUHLCLAH-QHCPKHFHSA-N 371.480 4.558 0 1 FJAF CCC(O)(CC)c1cc(-c2c(C)noc2C)cc2c1nc(C1CC1)n2C 219358472 PMOURSVBCSMDLV-UHFFFAOYSA-N 353.466 4.730 0 1 FJAF COC(=O)c1cc2nc(C3=CCCC3)[nH]c2c(F)c1Nc1ccccc1 586883107 HATFCYLKAYQBSM-UHFFFAOYSA-N 351.381 4.800 0 1 FJAF COc1ccc2c(c1)[C@@]1(CCO2)C[C@H]1c1nc2cc(Cl)cc(F)c2[nH]1 586915965 JJBVLCRLTPRHID-ORAYPTAESA-N 358.800 4.572 0 1 FJAF Cc1ccnc2[nH]c(COc3ccc4ccccc4c3Br)nc12 587000062 FDUHZNCWBDLHBE-UHFFFAOYSA-N 368.234 4.761 0 1 FJAF Fc1c(F)c(F)c2[nH]c(-c3cc4ccccc4c(Cl)n3)nc2c1F 587085748 FKPMAHANLBPNQW-UHFFFAOYSA-N 351.690 4.988 0 1 FJAF Nc1c(F)cc(-c2nc3cccc(OCc4ccccc4)c3[nH]2)cc1F 587134177 AQCHWUFVQPYOIG-UHFFFAOYSA-N 351.356 4.669 0 1 FJAF CCOC(=O)c1ccc2nc([C@H](C)CSc3ccc(F)cc3)[nH]c2c1 587171634 QVWMSPYLTJCGII-GFCCVEGCSA-N 358.438 4.775 0 1 FJAF CCOC(=O)CNc1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587227774 WRIWOVOMWORQRM-UHFFFAOYSA-N 364.232 4.512 0 1 FJAF O=C1C[C@H](c2cnn(-c3ccccc3F)c2)Oc2c1ccc1c2CCCC1 587500450 BXKHHLBQANAZHA-OAQYLSRUSA-N 362.404 4.597 0 1 FJAF Cc1cccc([C@]2(/C=C/N(C)C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587512768 PJGPQBWYGKESMN-XXFRDUSWSA-N 361.485 4.810 0 1 FJAF COc1cccc2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)nc12 587521677 BVHIDQUNHIVBFG-OAQYLSRUSA-N 359.425 4.829 0 1 FJAF CC1(C)CC(C)(C)[C@]2(C1)Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587604650 VAEOPTRPPPEURT-VGOFRKELSA-N 352.430 4.939 0 1 FJAF O=c1c2ccccc2c(-c2ccc(F)cc2)nn1Cc1ccc(F)cc1F 587658325 LKINWLCMNGFZAW-UHFFFAOYSA-N 366.342 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](CCc2ccccc2F)N1 587726337 IMHYQPWKDXJANQ-BBATYDOGSA-N 366.249 4.935 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2)N1 587778654 NVXMCEBEORRRJG-NSPYISDASA-N 371.253 4.760 0 1 FJAF Brc1ccc2c(c1)[C@H]([C@@H]1CCc3ccccc3C1)NC1(CC1)C2 961329112 XKPCNLVXEJNBKL-UZLBHIALSA-N 368.318 4.974 0 1 FJAF c1cncc(CN2CCc3sccc3[C@H]2c2ccc3ccccc3n2)c1 963013154 QNWYTPBRYMVRJA-QFIPXVFZSA-N 357.482 4.839 0 1 FJAF Clc1cccc2c1[C@@]1(NCC2)c2ccccc2-c2n[nH]c3cccc1c23 963391212 QGAGCKNKQMPWBG-JOCHJYFZSA-N 357.844 4.634 0 1 FJAF CCN(CC)c1ccc(NCc2c[nH]nc2-c2cc(F)cc(F)c2)cc1 1857581704 SYBSZYJUSXXLTH-UHFFFAOYSA-N 356.420 4.813 0 1 FJAF O=C1c2c(cccc2OCC2CCCCC2)C[C@@H]1Cc1ccccc1O 1857751076 QURFUKFELKABCJ-IBGZPJMESA-N 350.458 4.949 0 1 FJAF CC(C)Oc1cccc(-c2cn3c(-c4ccc5n[nH]cc5c4)cnc3cn2)c1 2382224986 DNRWBPSWRFCHDU-UHFFFAOYSA-N 369.428 4.727 0 1 FJAF CC[C@H](C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1 14968433 RGHUVUPNSICPDI-VIFPVBQESA-N 366.305 4.714 0 1 FJAF COc1ccc(/C=C/c2cc(OC)cc(OC)c2CNC2CCCC2)cc1 28653213 GVACXABHVHWHAK-DHZHZOJOSA-N 367.489 4.915 0 1 FJAF COc1ccccc1-c1csc(-c2cc(C(=N)N)sc2SC)n1 28771274 VPNNTFDQKJOHAQ-UHFFFAOYSA-N 361.517 4.553 0 1 FJAF CC(C)(C)c1ccc([C@H](N)C(=O)c2ccc(OC(F)(F)F)cc2)cc1 29040532 RTQODFAILKVOPH-INIZCTEOSA-N 351.368 4.765 0 1 FJAF Cc1c(-c2ccncc2)cc2[nH]c([C@@H]3COc4ccccc4O3)nc2c1C 49070392 ADDUZZHCDWVPIF-FQEVSTJZSA-N 357.413 4.754 0 1 FJAF Cc1nc(-c2cnc(NCC3CC3)nc2-c2ccccc2F)sc1C 82175417 YUHNRSHEQWHSKW-UHFFFAOYSA-N 354.454 4.845 0 1 FJAF CC(C)[C@@H](C)Nc1c(-c2c(F)cc(F)cc2F)c(F)nc2nccnc12 103171127 FHKOPCNJTXKKFQ-SECBINFHSA-N 364.346 4.705 0 1 FJAF CCCC[C@@H](CC)[C@@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 147124633 OIQPCFHRGUSHSO-CJFCLGFGSA-N 364.526 4.916 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587028436 PBPFGDGKBXMNRH-UHFFFAOYSA-N 350.781 4.922 0 1 FJAF CC(C)(C)Oc1cc(-c2nc3cc(Cl)c(Cl)nc3[nH]2)c(N)cc1F 587136821 WGVYKCHMWPGQLF-UHFFFAOYSA-N 369.227 4.830 0 1 FJAF Cc1cc(Br)cc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587174924 OCPBQLTVMOAQBB-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF CC(=O)CC[C@@]1(C(C)C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350818 FNIQKSUSOAAGFS-IRLDBZIGSA-N 370.420 4.654 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1c(F)ccc(F)c1F)CC2=O 587465169 BJRMKGQZGHWVAS-LJQANCHMSA-N 350.336 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cccc(N)c21 587472325 GPXNDACJRHLVQQ-DEOSSOPVSA-N 371.436 4.816 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1cc(CC)ccc1OC)CC2=O 587484111 WGESRIUWYIYSAM-JOCHJYFZSA-N 354.446 4.796 0 1 FJAF C[C@]1([C@H]2C[C@H]3CC[C@@H]2C3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587600304 ALMVQCIJOIZAQT-UEOXNQQCSA-N 350.414 4.549 0 1 FJAF Cc1cccc(C)c1[C@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603456 OSMUAZXGCLNWQS-REWPJTCUSA-N 360.409 4.886 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)([C@@H]2CC2(Cl)Cl)N1 587698130 YHNHYRJMXXXYLU-LIEFSGRHSA-N 367.089 4.531 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](C2(c3ccccc3)CC2)N1 587821402 UUIQXDRFIDFWCG-KPZWWZAWSA-N 360.270 4.895 0 1 FJAF Brc1cccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c12 587949959 GJKXYWBSVKLOJM-UHFFFAOYSA-N 361.283 4.811 0 1 FJAF COc1ccc2c(c1)[C@@](Cc1nc(O)cs1)(C(C)(C)C)N(C(C)C)CC2 962088356 GZTSKTUVHVVHGB-NRFANRHFSA-N 374.550 4.608 0 1 FJAF COc1ccc(NC2=C[C@]3(CCC2)NCCc2cc(Cl)ccc23)cc1 963392029 XHJCCKLLMNCNLU-NRFANRHFSA-N 354.881 4.870 0 1 FJAF COc1cccc(NC(=O)c2nc3cc(C(F)(F)F)ccc3s2)c1 1857636516 XEQWRORISQXZCV-UHFFFAOYSA-N 352.337 4.576 0 1 FJAF COc1ccc(C2=C(c3ccccc3)O[C@H](OC)c3cc(F)ccc32)cn1 95566530 HKTXRBRVBJQHRS-QFIPXVFZSA-N 363.388 4.821 0 3 FJAF CCCCCCC1=NO[C@H](c2ccc(Cl)cc2F)[C@H]1C(=O)N(C)C 4295663 NSXKRWVXSCOCNN-DLBZAZTESA-N 354.853 4.581 0 1 FJAF Cc1cc(O)c2c(c1)C[C@H]1[C@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC(=O)[C@]21C 17323670 VZUZGWPYCWZJQF-MYZFQUTGSA-N 366.501 4.505 0 1 FJAF C[C@H](Nc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12)c1ccco1 38142942 PIIKCSLESSIJGZ-ZDUSSCGKSA-N 359.385 4.792 0 1 FJAF CC(C)(C)c1ncc(C(=O)Nc2ccccc2C(F)(F)F)nc1Cl 40955039 ADITUWUYQNGTGU-UHFFFAOYSA-N 357.763 4.699 0 1 FJAF COc1cc2c(cc1Cl)CCN[C@H]2Cc1ccccc1Br 45256656 UPFCRQLDAJBOAV-INIZCTEOSA-N 366.686 4.541 0 1 FJAF CC(=O)Nc1nc2ccc(-c3ccnc(Oc4ccccc4)n3)cc2s1 71316496 ZVYXSMKMXOPLQI-UHFFFAOYSA-N 362.414 4.504 0 1 FJAF CCOc1cccc(-c2nc(CN[C@H](C)CCc3ccccc3)co2)c1 72184617 WGOJGFITWZTTNZ-QGZVFWFLSA-N 350.462 4.851 0 1 FJAF Cc1ccc(CCNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc1 82166402 LJDDCQGMGYXOQG-UHFFFAOYSA-N 374.444 4.971 0 1 FJAF C[C@@H]1CC[C@H](O)C(C)(C)[C@]12Cc1cc(C(=O)O)cc(-c3ccccc3)c1O2 84727571 XPDCNVZGTAEXNJ-OTURYTIQSA-N 366.457 4.543 0 1 FJAF Cc1ccc2[nH]c3c(c2c1)CCNC31CCC(c2ccccc2)(N(C)C)CC1 114383764 BYACUNBCZFSQIX-UHFFFAOYSA-N 373.544 4.848 0 1 FJAF C[C@@H]1CCC[C@@H](C(=O)N2CC[C@]3(C)c4cccc(O)c4C[C@@H]2C3(C)C)C1 218973643 FPSDTUMOZJNGET-FXALBQAHSA-N 355.522 4.659 0 1 FJAF Cc1ccc(NC(=O)Nc2cc([C@@H]3C[C@H]3C)nn2CC(F)(F)F)cc1 299829966 WAWFFWAJABODIS-DGCLKSJQSA-N 352.360 4.521 0 1 FJAF CSc1ccc2nc(-c3nc(Br)ccc3Cl)[nH]c2c1 587005817 UVCSDZSWNZVDNG-UHFFFAOYSA-N 354.660 4.763 0 1 FJAF CC(=O)c1ccc2nc(-c3cccc(OCc4csc(C)n4)c3)[nH]c2c1 587020406 RHJRMVMOYXWIMP-UHFFFAOYSA-N 363.442 4.776 0 1 FJAF CC[C@H](Oc1ccccc1Cl)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587061171 BWGSFRRBDFAWJR-INIZCTEOSA-N 355.825 4.631 0 1 FJAF Cc1cc(C)c2[nH]c(/C=C\c3cccc(I)c3)nc2c1 587183645 FVQABJHWDLJKCG-SREVYHEPSA-N 374.225 4.955 0 1 FJAF COc1ccc(C)cc1NCCCc1nc2ccc(C(F)(F)F)cc2[nH]1 587228926 KAXZRECVIGYOAK-UHFFFAOYSA-N 363.383 4.943 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 587241788 JMKBPTNLXURIBJ-UHFFFAOYSA-N 363.248 4.916 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C[C@@H]3[C@H]4CC[C@@H](C4)[C@H]32)[C@@H]1c1ccc(F)cc1 587354221 PWIBXDMPSLVCRL-JCEUVUPESA-N 364.416 4.695 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccccc3c(C=O)c1Cl)O2 587377919 KZDWZTAOQWIPME-LJQANCHMSA-N 365.816 4.903 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(F)c(F)c1)O2 587385728 PMDQYRJEWYDMBK-QFIPXVFZSA-N 365.379 4.764 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(OC)cc(OC)c3[nH]2)cc1 587564240 GVTXOPOJODLVJW-UHFFFAOYSA-N 354.450 4.847 0 1 FJAF Cc1cc(C)cc([C@@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602047 IKSIUGYNTHRLKC-NZQKXSOJSA-N 360.409 4.886 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(CCC[C@H]2CCCF)N1 587722486 ZBRHQDSLNNSHNO-BTJLNZGRSA-N 358.270 4.868 0 1 FJAF Cc1ccc2c(c1)[C@@]1(C=CO2)N[C@H](C)Cc2cc(Br)c(F)cc21 587839320 RMNBKTBXGOSZJD-BLVKFPJESA-N 374.253 4.581 0 1 FJAF CCOc1cc(C=O)c(OCC)n1-c1cc(Cl)cc(Br)c1 587941566 SUOKRJBAKRBLCU-UHFFFAOYSA-N 372.646 4.503 0 1 FJAF CC(=O)C[C@@]1(Cc2ccccc2)NCCc2cccc(-c3ccccc3)c21 962659371 GJBIZIYLTZIVME-VWLOTQADSA-N 355.481 4.916 0 1 FJAF C[S@](=O)c1ccc([C@]2(C)NCCc3cc(-c4ccccc4)ccc32)cc1 962665433 HWQOJOUPTOHVFC-OZXSUGGESA-N 361.510 4.500 0 1 FJAF CC(C)[C@@]1(O)CC[C@@H](C)[C@H]2CCC(COC(=O)Cc3ccccc3)=C[C@H]21 2356538336 AXHPCMJFAOEIJI-TUUKDFBESA-N 356.506 4.542 0 1 FJAF CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](CCO)CC[C@@H]32)C1 2356708149 GDPWXMPUUBHXOS-COGXALLJSA-N 362.554 4.959 0 1 FJAF CCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(C)c12 28218954 STXFMTGHJSFTHU-INIZCTEOSA-N 359.514 4.660 0 1 FJAF C[C@H](Nc1cc(NCCOc2ccc(F)cc2)ccn1)c1ccccc1 28378562 YFXLEJDIGQPHMW-INIZCTEOSA-N 351.425 4.885 0 1 FJAF Nc1ccc2c(ccn2C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 40763009 JWLRNIKJEDIPQM-UHFFFAOYSA-N 372.268 4.950 0 1 FJAF CCO[P@]1(=O)OC(c2ccccc2)=C(Br)c2ccccc21 49053620 OBLRMJRGSZKYOY-NRFANRHFSA-N 365.163 4.792 0 1 FJAF Cc1ccc(CNc2ncc(-c3nc(C)c(C)o3)c(-c3ccco3)n2)cc1 82219732 GNVUHSHSMFJOBL-UHFFFAOYSA-N 360.417 4.929 0 1 FJAF CCCCN1C(=O)CN(CC2CCCCC2)C(=O)c2cc(Cl)ccc21 95560801 KNYRJEIGDQYCRF-UHFFFAOYSA-N 362.901 4.509 0 1 FJAF Cc1c(Br)cc2nc([C@H]3C[C@H]4C=CC[C@@H](C3)C4=O)[nH]c2c1C 586887034 RVCWPOVPXUDDBE-AGIUHOORSA-N 359.267 4.581 0 1 FJAF Cc1ncc(-c2nc3ccc(OC(C)C)cc3[nH]2)c(C)c1Br 586979177 IVHHXNBZAYLHHP-UHFFFAOYSA-N 360.255 4.791 0 1 FJAF CO[C@H](c1ccccc1)c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586989401 HQIDEMQDBGCNCN-XMMPIXPASA-N 367.404 4.888 0 1 FJAF Fc1cc(Cl)cc2nc(CCNc3ccc(Br)cc3)[nH]c12 586995235 HNOOYVJWAYNPSV-UHFFFAOYSA-N 368.637 4.773 0 1 FJAF COc1ccc2nc(-c3nc4c(Cl)ncc(Cl)c4[nH]3)sc2c1 587036054 ZDUNTPWHIIMLSJ-UHFFFAOYSA-N 351.218 4.550 0 1 FJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc5ccccc5cc4[nH]3)cc2N1 587126114 VHQVJYZGCYGGPQ-QLJPJBMISA-N 371.366 4.887 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2c(Cl)ccnc2[nH]1 587136486 IZFSJTYQQXNCNX-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(-c3ccc(Cl)cc3)nc1)O2 587379873 LSNPUXYVEDNIJG-FQEVSTJZSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(Cl)c(C(F)(F)F)c1)O2 587383016 UUPQNIANGADIRK-HNNXBMFYSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccccc1)(c1ccc(F)cc1)O2 587383758 FZTHSVURQKLCJP-QHCPKHFHSA-N 361.416 4.820 0 1 FJAF CCOc1ccc([C@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)cc1 587399888 MTQPCHMXGFVVFU-XMMPIXPASA-N 373.452 4.885 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnn(-c3cccc(C)c3)c1)CC2=O 587475263 KTYBBNAQKXYSOA-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)C[C@H](OCC)C12CCCCC2 587489677 PLUKSUZQNMNZFX-UGKGYDQZSA-N 358.478 4.808 0 1 FJAF C[C@H](c1ccccc1)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515857 WLJCPTOUOSUJEI-MZNJEOGPSA-N 361.485 4.736 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1Cc1ccc(Cl)cc1 587542946 AXUDHVUFWCOSIC-RBUKOAKNSA-N 366.800 4.619 0 1 FJAF Cc1ccc(-c2ccc(O[C@H](C)c3ccc4c(O)nc(O)nc4n3)cc2)cc1 587553695 DEUZWFCXVAHZNA-CQSZACIVSA-N 373.412 4.551 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]12CC[C@@H]2c1ccccc1 587603322 LXXSQTDOZWDRGH-MONBJTKQSA-N 358.393 4.670 0 1 FJAF Cc1[nH]c2ccc(F)c(Cl)c2c1C(=O)NCc1ccc(Cl)cc1 587627875 DYFHBIWVBPYOIZ-UHFFFAOYSA-N 351.208 4.852 0 1 FJAF COc1ccc(-c2[nH]c3cc(Cl)c(F)cc3c2CN(C)C)cc1F 587629674 WUOAZVVXGCQMEB-UHFFFAOYSA-N 350.796 4.837 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2F)N1 587726845 LJQZMTMIUZXOKL-BONVTDFDSA-N 352.222 4.545 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccncc1Cl 587861340 RYMRCGPZBQACHF-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF COc1ccc(C2(c3nc4ccnc(Cl)c4[nH]3)CC3(CCC3)C2)cc1 587935305 HWVVAANBMGEJHN-UHFFFAOYSA-N 353.853 4.870 0 1 FJAF Cc1ccc(-c2cn(CC3=C(Cl)c4cc(C)ccc4OCC3)nn2)cc1 653764354 JSMPRIPQJGPFCL-UHFFFAOYSA-N 365.864 4.995 0 1 FJAF CC(=O)O[C@]1(C)CC[C@H](O)[C@@]2(C)CCC(C(C)C)=CC=C(C)CC[C@H]1O2 2356790379 FMVZGYMVZQDYSU-DXBBTUNJSA-N 364.526 4.710 0 1 FJAF CC[C@]1(C)Cc2c(sc3nc(=S)n(Cc4ccccc4)c(O)c23)CO1 239412449 SRVWTLNJDVKCIU-LJQANCHMSA-N 372.515 4.823 0 3 FJAF Cc1ccc(-c2ccc3c(=O)cc(N4CCOCC4)oc3c2)c2ccccc12 28564507 GUNHDJAXBMLIKG-UHFFFAOYSA-N 371.436 4.758 0 1 FJAF Clc1ccc([C@@H](c2ccc(CN3CCCC3)cc2)n2ccnc2)cc1 35246371 DBNOSIUJVKLZRW-OAQYLSRUSA-N 351.881 4.770 0 1 FJAF Cc1nnc(-c2ccc3occ(-c4ccc([S@](C)=O)cc4)c3c2)s1 45283739 PHTBTRWABMBCBU-XMMPIXPASA-N 354.456 4.664 0 1 FJAF CO[C@H]1c2ccccc2[C@@H]2[C@H](c3c(c4ccccc4n3C)[C@@H]2C(=O)O)[C@@H]1C 66167349 SAAHQXFSJMSMGY-SKDCQASCSA-N 361.441 4.565 0 1 FJAF CN1CCN(c2cnc3cccc(-c4ccc5ccccc5c4)c3c2)CC1 71317278 BXWKDQODKZWDDN-UHFFFAOYSA-N 353.469 4.807 0 1 FJAF CCOc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2O)cc1OCC 73291881 IZPXIUBSPVJYPQ-UHFFFAOYSA-N 354.402 4.580 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCc3cccc(F)c3)ncnc21 82179691 DLRHVQXAGICCAD-OAHLLOKOSA-N 369.488 4.790 0 1 FJAF COc1cc(-c2cc(=O)c3c(C)c(Cl)c(C)cc3o2)cc(OC)c1OC 96927864 BOUKBOMKKITVQJ-UHFFFAOYSA-N 374.820 4.756 0 1 FJAF Cc1cccc(C)c1NC(=O)NC1C[C@@H]2CC[C@@H](C1)N2Cc1cccs1 100979819 QBTGOPARCIIRAR-ROUUACIJSA-N 369.534 4.682 0 1 FJAF COC(OC)[C@@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 138672583 JSICEBOYDITIFX-KJHRULRCSA-N 364.526 4.719 0 1 FJAF Cc1cccc(C)c1NC(=O)Nc1cccc(-c2cccc3[nH][nH]c(=N)c23)c1 473153243 ZESSTHJMWITPGA-UHFFFAOYSA-N 371.444 4.903 0 1 FJAF Cc1cc(C(=O)O)ccc1-c1ccc(-c2nc3cc(C(=O)O)ccc3[nH]2)cc1 586878860 KHGVNTRBVSEIPO-UHFFFAOYSA-N 372.380 4.602 0 1 FJAF Cc1c(Br)cc2nc([C@@H](C)Sc3ncccn3)[nH]c2c1C 586960420 BTQMHXCILUCURP-SNVBAGLBSA-N 363.284 4.586 0 1 FJAF Cc1ccc(SCc2nc3cc(-n4cccn4)c(F)cc3[nH]2)c(C)c1 586963466 JPAPKTPFEGNXEL-UHFFFAOYSA-N 352.438 4.797 0 1 FJAF Cc1ccc2nc([C@@H](c3ccc(Br)cc3)N3CCCC3)[nH]c2c1 586986332 WHPATGSMBGPSRA-GOSISDBHSA-N 370.294 4.819 0 1 FJAF Cc1cnc(Cl)c2[nH]c(-c3cc4ccc(Br)cn4c3)nc12 587005948 BDGOWLBQHVIIOA-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc5c(cc4[nH]3)OCCO5)cs2)cc1 587016192 RMPMQIOUFOEKIH-UHFFFAOYSA-N 363.442 4.687 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3c(F)cc(Cl)cc3[nH]2)s1 587023340 NXAWKBOYLYREBF-UHFFFAOYSA-N 368.821 4.826 0 1 FJAF C[C@@H](c1nc2cc3c(cc2[nH]1)OCCCO3)c1ccccc1C(F)(F)F 587098969 VHWOEFCNKIQZNU-LLVKDONJSA-N 362.351 4.895 0 1 FJAF Cc1ccc2c3c(cc(-c4cc(O)ccc4O)nc13)-c1ccccc1C2=O 587102184 SWGOOVAYRJKZEE-UHFFFAOYSA-N 353.377 4.833 0 1 FJAF CC(=O)c1cc(N)cc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587105127 PJPSACZMYWYQNJ-UHFFFAOYSA-N 364.404 4.898 0 1 FJAF FC(F)(F)c1cnc2[nH]c(-c3ccc4nc(C(F)(F)F)[nH]c4c3)nc2c1 587120898 ZBCASLIPVAEQQR-UHFFFAOYSA-N 371.244 4.539 0 1 FJAF CC(=O)c1ccc(-c2cc(-c3nc4cccc(C(=O)O)c4[nH]3)ccc2F)cc1 587139582 PVFVFDKBQAGHSS-UHFFFAOYSA-N 374.371 4.937 0 1 FJAF Fc1cc(Br)ccc1-c1nc2c(Cl)cnc(Cl)c2[nH]1 587142475 BPCMGUKAMKBOKA-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF O=NCc1ccc(-c2nc3c(Cl)cc(Br)cc3[nH]2)cc1 587191245 WKTPTPSCBLRDBT-UHFFFAOYSA-N 350.603 4.912 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)c1 587233886 BHJKOTJJNNWZQC-UHFFFAOYSA-N 361.376 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(OC(F)F)c(F)c1)CC2=O 587465365 HXUYDPXJPHGZFQ-KRWDZBQOSA-N 366.335 4.792 0 1 FJAF C[C@@]1(c2ccc(C(F)(F)F)cn2)CC(=O)c2ccc3c(c2O1)CCCC3 587505494 HIPMZQQLWOOSSE-IBGZPJMESA-N 361.363 4.860 0 1 FJAF O=C1C[C@@H](c2ccc(Oc3cnccn3)cc2)Oc2c1ccc1c2CCCC1 587515742 QMMAXEZRAQZLMB-NRFANRHFSA-N 372.424 4.854 0 1 FJAF CC(C)COc1cccc(OCc2nc3c(Cl)cnc(Cl)c3[nH]2)c1 587565914 MRLOMXJSGVTBEW-UHFFFAOYSA-N 366.248 4.879 0 1 FJAF O=Cc1ccc(OCCc2nc3ccc(Oc4ccccc4)cc3[nH]2)cc1 587566457 NLEICWJJVGSUAH-UHFFFAOYSA-N 358.397 4.789 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(F)c(F)c2F)N1 587716735 DRNTWCZDASWXTJ-GYKQLYQFSA-N 374.175 4.629 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(Cc3ccccc3[C@H]2C)N1 587824881 ZWBFRFRBPJSGAB-CLUVUEOHSA-N 360.270 4.678 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2ccccc2[nH]c1=S 587872481 LRYMWRIMGTYRAJ-UHFFFAOYSA-N 366.421 4.683 0 1 FJAF CCOC(=O)C[C@@]1(C2CCCCC2)c2cc(OC)ccc2CCN1C(C)C 962086882 CJHLFXAFXQWQMY-HSZRJFAPSA-N 373.537 4.691 0 1 FJAF Cc1ccccc1[C@]1(CCCCCCC(=O)O)NCCc2ccc(O)cc21 963340450 HOZKVKIRUUAMOI-QHCPKHFHSA-N 367.489 4.515 0 1 FJAF Cc1ccc(-c2nc3ccccn3c2[C@@H]2NCCc3ccc(O)cc32)c(C)c1 963342039 QIHKOEJSMOCYGP-JOCHJYFZSA-N 369.468 4.559 0 1 FJAF COc1cc(OC)c(-c2cn3ccc(N4CCCCC4)cc3n2)cc1Cl 1857590069 MTJVBBMGDUQKDG-UHFFFAOYSA-N 371.868 4.662 0 1 FJAF Brc1cccc([C@@H](Cn2ccnc2)OCc2ccccc2)c1 1857591525 WNBITPSIBJDZAZ-GOSISDBHSA-N 357.251 4.604 0 1 FJAF c1ccc(CNc2nc(N3CCOc4ccccc43)nc3ccccc23)cc1 197988055 HKNOGBWOYHPLMF-UHFFFAOYSA-N 368.440 4.772 0 3 FJAF O=C1Nc2ccc(Cl)cc2[C@](OCCc2ccccc2)(C(F)(F)F)O1 6579523 PRKMLGLBHGUXDB-MRXNPFEDSA-N 371.742 4.877 0 1 FJAF Cc1cccn2cc(-c3ccc(OCCCNCc4ccccc4)cc3)nc12 13819576 DWSCJQJEEHPQOW-UHFFFAOYSA-N 371.484 4.868 0 1 FJAF Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5cc(C)on5)(C4)C2)C3)cc1 18033619 OIKOIZIBSGXBPF-RGMRCXJASA-N 350.462 4.768 0 1 FJAF O=C1CC(c2ccccc2)(c2ccccc2)OC(=O)[C@H]1Sc1ccccc1 18166895 DYDHMUUVUPWECJ-NRFANRHFSA-N 374.461 4.607 0 1 FJAF CCCCC[C@H](O)c1cccc(OCc2cccc(CC(=O)OC)c2)c1 25988053 MLIKNUKBBMHSGC-NRFANRHFSA-N 356.462 4.595 0 1 FJAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@@H]1N2C 26737750 ARDZHBGLAMKFGJ-OMNBBPDLSA-N 356.293 4.511 0 1 FJAF COc1ccc(C(=O)c2ccc3c(-c4ccc(OC)cc4)nocc2-3)cc1 28569121 DEDZJDZZUAUONT-UHFFFAOYSA-N 359.381 4.695 0 1 FJAF CC(C)CCn1c(CN2C(=O)CSc3ccccc32)nc2ccccc21 28824533 QNRVQMAMFDBVHM-UHFFFAOYSA-N 365.502 4.721 0 1 FJAF CC(C)(C)Cc1c[nH]c([C@@](C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)n1 66074745 WFOBNYAVMIYRCG-QFIPXVFZSA-N 367.468 4.650 0 1 FJAF CCCCCn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178383 XAEGYKXJKIQZIK-UHFFFAOYSA-N 372.476 4.691 0 1 FJAF Cc1ccccc1/C(=C1\C(=O)Nc2ccccc21)c1nc2ccccc2[nH]1 84732303 OELOPFDNUFWHKR-QZQOTICOSA-N 351.409 4.783 0 1 FJAF COc1ccc([C@H]2O[C@H](c3ccc4c(c3)OCO4)[C@@H](C)[C@H]2C)cc1OC 96903589 HSMDOSKNXLVXIP-KNRKYQCFSA-N 356.418 4.517 0 1 FJAF Cc1csc(CNCC[C@@]2(c3ccccn3)CCOC3(CCCC3)C2)c1 96940328 PRBMCNUQSIUDRH-OAQYLSRUSA-N 370.562 4.992 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C 169370024 RPIWNKCKNAVMOS-OSXMFQAASA-N 359.554 4.739 0 1 FJAF O=C(C/C=C/N1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1 169714203 OJMJVHAILRULGG-HSIUAXRUSA-N 373.855 4.549 0 1 FJAF CC(=O)OC[C@H]1C[C@@]23CC[C@@H]4[C@@](C)(C(=O)O)CCC[C@@]4(C)[C@@H]2CC[C@@H]1C3 238786760 DPBCVQQQIVNUMJ-BJLWDOTNSA-N 362.510 4.663 0 1 FJAF COc1cc2cc(OC)c1OCCCCCCOc1ccc(cc1O)C=C2 253848928 BZZGXVKXJIAYSN-UHFFFAOYSA-N 370.445 4.911 0 1 FJAF CC[C@@]1(C)C[C@H]1c1nc2cc(Br)c(Br)cc2[nH]1 586887647 GWXFCBBVNYFEEP-CPFSXVBKSA-N 358.077 4.992 0 1 FJAF COc1cncc2[nH]c(-c3ccc(CSc4nc(C)cs4)cc3)nc12 587020550 BNZLUZUWBDDVRW-UHFFFAOYSA-N 368.487 4.691 0 1 FJAF O=C(Cc1ccc(Cl)cc1)c1nc2c(F)c(Br)ccc2[nH]1 587072277 QDPVCUHNMDVZDP-UHFFFAOYSA-N 367.605 4.543 0 1 FJAF O=C(O)c1ccc(C(F)(F)F)cc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587110003 ZSVBDSNDOPQQGV-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF Fc1cc(F)c(-c2nc3ccc4ncccc4c3[nH]2)cc1Br 587136169 KYUXPNJNWSSGIJ-UHFFFAOYSA-N 360.161 4.819 0 1 FJAF CC(C)(C)OC(=O)N[C@H]1CC[C@H](c2cnc3cccc4c3c2CC4)CC1 587214319 XNQDWEKCGDFMSM-KOMQPUFPSA-N 352.478 4.884 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2cccc(C(=O)O)c2[nH]1 587240609 LWHYJRZVYXRKRD-UHFFFAOYSA-N 359.385 4.680 0 1 FJAF Cc1cccnc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587338953 PGKYNKSFNRSOJL-KNQAVFIVSA-N 363.388 4.509 0 1 FJAF CCCCCn1c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)nc2ccccc21 587388998 CTTFJTQFCQAHDX-FQEVSTJZSA-N 363.461 4.824 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc(C(F)(F)F)cn1)CC2=O 587464024 GSWOXSHGXNFWRP-GOSISDBHSA-N 365.351 4.639 0 1 FJAF CCOC(=O)[C@H]1CC(C)(C)CC[C@@]12CC(=O)c1ccc3c(c1O2)CCCC3 587525724 RLWCDHQKJJIXQH-WZONZLPQSA-N 370.489 4.659 0 1 FJAF O=C1C[C@H](c2c(C3CC3)nc3sccn23)Oc2c1ccc1c2CCCC1 587539981 ZCONKFRCIIQKRG-QGZVFWFLSA-N 364.470 4.859 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2ccoc12 587614510 BZZZKTJRGFTVRZ-PGRDOPGGSA-N 358.349 4.841 0 1 FJAF COc1ccc2nc(/C=C/c3ccc(OCc4ccccc4)cc3)[nH]c2n1 587783420 AOXQNXYKKUUUBG-UKTHLTGXSA-N 357.413 4.716 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H]2CCc3ccccc32)N1 587824142 URLLJFHWVHGPIZ-VZMUKZCBSA-N 360.270 4.894 0 1 FJAF C[C@@]1(c2cccc(S)c2)c2cccc(F)c2CCN1[C@H]1CCSC1 962696994 HIOSSVRCZKQMNQ-MGPUTAFESA-N 359.535 4.742 0 1 FJAF COc1ccc(Cl)c(-c2ccc(NC(=O)CC3CCOCC3)cc2)c1 1857647890 MDOINQITJAEQNF-UHFFFAOYSA-N 359.853 4.771 0 1 FJAF O=C(c1cc(Oc2ccc(/C=C/c3ccccn3)cc2)ccn1)N1CCCC1 1857653692 OFJMVBLKYMDEDI-RMKNXTFCSA-N 371.440 4.675 0 1 FJAF CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC(=O)C=CC=Cc1ccc3c(c1)OCO3)C2 2356617746 PRQIQLZCTBYMPT-BPXKWBHBSA-N 354.446 4.743 0 1 FJAF COc1ccc(-c2cccn2-c2cc(OC)c(OC)c(OC)c2)cc1Cl 2382248996 GKDIAISGZKEQCY-UHFFFAOYSA-N 373.836 4.832 0 1 FJAF Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1cnccn1 13682665 ILPDSBFKIGLSMB-UHFFFAOYSA-N 372.350 4.800 0 3 FJAF CC(C)Nc1nc(NCCOc2ccccc2Cl)c2sccc2n1 61903215 LNXRMOARTBGHMX-UHFFFAOYSA-N 362.886 4.656 0 3 FJAF CC(C)N1CCC[C@](C)(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 61930701 QNCUUNANXNUYCM-QFIPXVFZSA-N 352.478 4.928 0 3 FJAF Fc1ccc(OCCCN2[C@H]3CC[C@@H]2c2c([nH]c4ccccc24)C3)cc1 27104202 GHQBNTNSLQFLLN-HRAATJIYSA-N 350.437 4.838 0 1 FJAF CCc1n[nH]c(CC)c1CCCCCOc1ccc(OC)cc1Cl 27764619 NIMCWOUCHUVKBJ-UHFFFAOYSA-N 350.890 4.988 0 1 FJAF Cc1cccc(-n2ncc(C(N)=O)c2-c2ccc(-c3ccccc3)cc2)c1C 96142782 GLHCGUOLIKDUPD-UHFFFAOYSA-N 367.452 4.922 0 1 FJAF Cc1ccc([C@@H]2c3ccc(O)cc3Oc3nc4c(c(N)c32)CCCC4)cc1 103268661 FNEQXOFFAYFDIL-HXUWFJFHSA-N 358.441 4.843 0 1 FJAF CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)C2=C(O)CCCC2=N1 103668292 BWXAXVURHVCRCM-HXUWFJFHSA-N 367.445 4.686 0 1 FJAF COC(=O)/C(=C/c1ccc2ccccc2c1)CSc1nc(C)cc(C)n1 169308066 IHBYWZOGJMDRQQ-XDHOZWIPSA-N 364.470 4.595 0 1 FJAF CC(=O)OC[C@H]1C[C@@]23CC[C@H]4[C@@](C)(CCC[C@@]4(C)C(=O)O)[C@@H]2CC[C@@H]1C3 238735574 DPBCVQQQIVNUMJ-BDTXQGIKSA-N 362.510 4.663 0 1 FJAF O=C(O)CCC/C=C\C[C@H]1[C@H]2CC[C@@H](O2)[C@H]1COCC1CCCCC1 253634289 MCXWYACNYOTKNC-XNEDTRFQSA-N 350.499 4.578 0 1 FJAF Cc1ccc(C)c(C(=O)c2ccccc2-c2nc3cc4cn[nH]c4cc3[nH]2)c1 586882331 NYULJMIXACZYLH-UHFFFAOYSA-N 366.424 4.954 0 1 FJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3cc(F)c(F)cc3[nH]2)c1 586914745 AZCCCLZJKVEOMO-UHFFFAOYSA-N 366.323 4.609 0 1 FJAF Cc1onc(-c2nc3cc(F)ccc3[nH]2)c1COc1ccccc1Cl 587062824 BBJFNBPNTNKXNE-UHFFFAOYSA-N 357.772 4.898 0 1 FJAF Fc1cc(Cl)cc2nc([C@@H]3C=C(c4ccc(Cl)cc4)NO3)[nH]c12 587077732 YZRVJMGCDMMKGX-AWEZNQCLSA-N 350.180 4.626 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H](C(=O)C(F)F)CCC3 587103622 LXPZWZHFSKQCEM-HNNXBMFYSA-N 363.363 4.700 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc3ccc(Br)cc3[nH]1)O2 587370730 HQPXBZNWTXIORI-KRWDZBQOSA-N 371.234 4.528 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCCCC3)cc1Cl)O2 587376239 QWSQOCPGVFXJTL-FQEVSTJZSA-N 370.880 4.927 0 1 FJAF COCCC[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587505679 PPWBVIDBIFKYII-QHCPKHFHSA-N 368.448 4.992 0 1 FJAF CC1(C)C[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(N)ccc2O1 587510524 LBEHQKGKHNKTFF-QHCPKHFHSA-N 363.457 4.569 0 1 FJAF O=C1C[C@H](c2ccccc2Cn2cccn2)Oc2c1ccc1c2CCCC1 587517436 NBUNSYSPGJRPMC-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF C[C@]1(CCOCc2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3 587522180 KHJKZQWVTNFKHM-QHCPKHFHSA-N 350.458 4.896 0 1 FJAF CCCCSc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587530786 DWOIMHQSVQUFOM-LJQANCHMSA-N 368.502 4.954 0 1 FJAF C[C@H](CCc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587602349 JKNNHWMFQXBQOC-QVJSAIJNSA-N 374.436 4.991 0 1 FJAF CCOC(=O)C(=O)c1c(-c2ccc(F)cc2)[nH]c2ccc(F)c(Cl)c12 587631211 XSVOOROSWRNMLS-UHFFFAOYSA-N 363.747 4.512 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Cl)N1 587699411 XCNNIULNHIQSEG-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF CC[C@]1(c2cccc(F)c2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587728001 CMIYNUIKIWSGTA-BBATYDOGSA-N 366.249 4.915 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccc(F)cc2)N1 587737088 WDUNCEDTLBGUNR-BMIGLBTASA-N 352.222 4.545 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)cc(F)c2[nH]1 587783144 YCCDDRUKMZBFIZ-UHFFFAOYSA-N 352.340 4.793 0 1 FJAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3c(Cl)cc(Cl)cc3[nH]2)cc1 587783814 ARSAEYPZQONVKY-QWHCGFSZSA-N 361.228 4.813 0 1 FJAF COC(=O)c1cc(Cl)c2nc(-c3ccc(OC4CCC4)cc3)[nH]c2c1 587951533 NPOWRTOMYPSPLU-UHFFFAOYSA-N 356.809 4.601 0 1 FJAF O=C(Nc1cccc(O)c1)Nc1nc2ccc(OC(F)(F)F)cc2s1 653899413 XTBTWBLLTRCZIC-UHFFFAOYSA-N 369.324 4.545 0 1 FJAF Oc1ccc(OC(F)(F)F)c([C@@H]2c3ccc(F)cc3C[C@H]3CCCN23)c1 963101854 MFDPQJRXEWWJMV-ACJLOTCBSA-N 367.342 4.540 0 1 FJAF COc1ccc(-c2cnc(N)c(C(=O)Nc3c(C)cccc3Cl)c2)cc1 1857592994 ZELRHOQKEVUKAL-UHFFFAOYSA-N 367.836 4.554 0 1 FJAF CC[C@H]1CCCCN1C(=O)/C=C/c1c(-c2ccccc2)nn2ccccc12 1486607 LKRPUICFBINTQQ-IQGVVSCOSA-N 359.473 4.806 0 1 FJAF c1ccc(C2=NO[C@@]3(c4ccccc4)S[C@@H]4CCCC[C@H]4CN23)cc1 17216645 HIYZCGIQTOFBHX-DSKINZAPSA-N 350.487 4.797 0 1 FJAF COc1ccc(F)cc1C(C)(C)C[C@](O)(c1ccccc1)C(F)(F)F 28862169 WLHSXLFNWGZUFE-SFHVURJKSA-N 356.359 4.952 0 1 FJAF c1ccc(Cn2cnc3ccc(Nc4ncnc5ccccc45)cc32)cc1 29208307 QGFNHEXCTWPTLL-UHFFFAOYSA-N 351.413 4.771 0 1 FJAF C[C@H](c1ccco1)N(C)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12 36382603 KUBMIEGUDQFALO-CQSZACIVSA-N 373.412 4.816 0 1 FJAF Cc1ccccc1C(=S)NC(=O)NC1c2ccccc2-c2ccccc21 43025620 NEFJNMCACGXFLU-UHFFFAOYSA-N 358.466 4.740 0 1 FJAF Cc1cccc(-c2[nH]c(=S)[nH]c(=O)c2Cc2c(O)ccc3ccccc23)c1 45497904 YUOHPNUKFFOPOO-UHFFFAOYSA-N 374.465 4.858 0 1 FJAF CC(C)CCN1Cc2cc(CC(C)C)c(N)cc2N[C@@H](CC(C)C)C1=O 49111407 DAWHMMINFGNTOI-NRFANRHFSA-N 359.558 4.682 0 1 FJAF O=C(Nc1cccc2ccccc12)C(Cl)(C(F)(F)F)C(F)(F)F 68574185 NSZDIXAEXPHZIJ-UHFFFAOYSA-N 355.665 4.881 0 1 FJAF biogenic CC(C)NC(=O)Nc1cc(-c2ccc(Cl)c(Cl)c2)sc1C(=O)O 96924191 PRSSQOSLTGNGCP-UHFFFAOYSA-N 373.261 4.950 0 1 FJAF CCc1cccc(Nc2nc3cc(-c4nnn[nH]4)ccc3c3sccc23)c1 167714348 JMYUFXLMUZNVNY-UHFFFAOYSA-N 372.457 4.936 0 1 FJAF CC(C)c1c(C(=O)O)cnn1-c1nc(-c2ccc3ccccc3c2)cs1 169342553 AWXWZPSTRPGPCD-UHFFFAOYSA-N 363.442 4.971 0 1 FJAF Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1cc[nH]c(=O)c1 209441594 QXOVMGKJJKXDIG-UHFFFAOYSA-N 360.457 4.900 0 1 FJAF N[C@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299808773 RYSREWLCUBCLSN-KKGFQHLNSA-N 360.545 4.920 0 1 FJAF COc1ccc(-c2c[nH]c3ncc(-c4ccc(C)c(N)c4)cc23)cc1OC 299830499 WBCNXYJJPHRPDW-UHFFFAOYSA-N 359.429 4.805 0 1 FJAF OCc1ccccc1-c1cccc(-c2nc3ccc4ncccc4c3[nH]2)c1 586894743 CBCXKZYACVDMAM-UHFFFAOYSA-N 351.409 4.937 0 1 FJAF Cc1c(-c2nc3c(F)cc(Cl)cc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029043 GLORZUZSONQKGL-UHFFFAOYSA-N 374.828 4.505 0 1 FJAF CC[C@H](C)n1cc(Cl)c(-c2nc3c(O)c(Br)ccc3[nH]2)n1 587081176 WUDHXZYFQJFCOO-ZETCQYMHSA-N 369.650 4.519 0 1 FJAF N[C@H](N=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164855 DGYMCIXNTULTJD-QGZVFWFLSA-N 352.394 4.821 0 1 FJAF Brc1ccc2c(c1)-c1nc3cccc4c3c(c1CCN2)CC4 587207071 AXXDAOJTZLIPRN-UHFFFAOYSA-N 351.247 4.731 0 1 FJAF CCOC(=O)[C@@H](Cc1ccc(Cl)cc1)c1cc2c3c(cccc3n1)CC2 587209552 QZTSNCNPCNHGKW-SFHVURJKSA-N 365.860 4.876 0 1 FJAF O=C(Nc1ccccc1)c1ccc(-c2nc3c(Cl)ncc(F)c3[nH]2)cc1 587245310 VPEOFNJHHDVMFC-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1cccc(C=O)c1)(C1CCC1)CC2=O 587491885 ZYRZVHNIDMRHEL-HSZRJFAPSA-N 364.441 4.818 0 1 FJAF C[C@@]1(c2ccc(Cl)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587549934 TYYLNBMSZJMXTA-RXVVDRJESA-N 366.800 4.923 0 1 FJAF Cc1cc2c(cc1-c1ccc3c(O)nc(O)nc3n1)C(C)(C)[C@H](C)C2(C)C 587561416 HJEVZVIFBTYNTC-GFCCVEGCSA-N 363.461 4.616 0 1 FJAF CC(C)(C)SC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606027 FVJQZAWFFZDBKG-OXQOHEQNSA-N 358.459 4.644 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccn3c2)N1 587773674 REDPSIZGVQMWMA-CWTRNNRKSA-N 373.269 4.639 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4cc5c(cc4[nH]3)OCO5)cc2)c1 587781676 MMTPEGFHMWQFRG-UHFFFAOYSA-N 374.396 4.546 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3cc(C)c(Br)cc3[nH]1)CC2 587934736 NQVSAEJWQYGPPA-CYBMUJFWSA-N 371.278 4.915 0 1 FJAF COc1ccc(CCC2CCN(CCc3ccccc3OC)CC2)cc1 653826072 HBCQEZCFDYFXFC-UHFFFAOYSA-N 353.506 4.591 0 1 FJAF C[C@]1(C(=O)Nc2cnc3ccccc3c2)CCN1Cc1cc2ccccc2o1 61896566 YFNJVQCWTWGFKJ-HSZRJFAPSA-N 371.440 4.584 0 3 FJAF Fc1ccc(CNCCOc2ccc(Cl)c3[nH]cc(Cl)c23)cc1 1903132 GEHFGDHALWGGMK-UHFFFAOYSA-N 353.224 4.782 0 1 FJAF Clc1nc(Nc2nc3ccccc3[nH]2)nc(Cl)c1Cc1ccccc1 13218694 QMAZZHULTDZAGY-UHFFFAOYSA-N 370.243 4.994 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)[C@@]2(C)CCO[C@@H]2O3)cc1 13609181 QIYIAVWWIGXXBQ-TZIWHRDSSA-N 353.418 4.817 0 1 FJAF O=c1cc(N2CCOCC2)oc2c(-c3csc4ccccc34)cccc12 13677206 OFLMXHOOCNTWDX-UHFFFAOYSA-N 363.438 4.511 0 1 FJAF CN(C(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C)c1ccccc1 13740280 QBSLGQKCSOHHBR-BQJUDKOJSA-N 368.908 4.569 0 1 FJAF Cc1ccc([C@H](N)[C@@H]2CCN2C(c2ccccc2)c2ccccc2)cc1F 22941570 WRBMJDRZZULRBX-GOTSBHOMSA-N 360.476 4.998 0 1 FJAF COc1c(-c2ccc(F)cc2)c(SCCN(C)C)nc2ccccc12 26382608 VDDSXKGJIZUGIA-UHFFFAOYSA-N 356.466 4.703 0 1 FJAF CS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)COC3)cc1 26973075 AIIQQIKNQVCJIA-UHFFFAOYSA-N 368.429 4.593 0 1 FJAF CC(C)NC(=N)c1cccc(-c2cc3ccc(C(=N)NC(C)C)cc3o2)c1 40939318 BPUITGRKJWSRQV-UHFFFAOYSA-N 362.477 4.747 0 1 FJAF Cc1cc(C)c(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(Cl)c1 43076831 WZFGZAHLFXELKC-LLVKDONJSA-N 352.265 4.882 0 1 FJAF COc1cc(C(=O)c2csc(-c3ccccc3)c2)cc(OC)c1OC 72114435 RCMUDRGNWXWSMH-UHFFFAOYSA-N 354.427 4.672 0 1 FJAF O=C(NCc1ccccc1)c1cc2ccccc2n1Cc1ccc(F)cc1 89454875 MRXSUWSBDCNJNQ-UHFFFAOYSA-N 358.416 4.759 0 1 FJAF COc1ccc(-c2cnc3c(-c4cccc5cnccc45)cnn3c2)cc1 96927005 QOZWJGGDIJIJBP-UHFFFAOYSA-N 352.397 4.620 0 1 FJAF O=C(c1ccc2c(c1)ncn2-c1cccc(C(F)(F)F)c1)N1CCCCC1 103226054 JKFSLVDEDNJILV-UHFFFAOYSA-N 373.378 4.670 0 1 FJAF FC(F)(F)[C@@](F)(Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587090771 XKTHPDUHNLJPSD-MRVPVSSYSA-N 365.939 4.902 0 1 FJAF Cc1cc(Br)cc2nc(-c3ccc(N)cc3C(F)(F)F)[nH]c12 587095343 FAJQQDPOKNUWQV-UHFFFAOYSA-N 370.172 4.902 0 1 FJAF O=C(/C=C\c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1)Nc1ccccc1 587244208 MFDPBDHDUUWPII-SREVYHEPSA-N 365.742 4.887 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4c(F)cccc4F)o1)[C@@H](C2)C3=O 587422445 DQCYBMPYXGFSMC-QKVFXAPYSA-N 368.335 4.722 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]nc1-c1cccc(F)c1)CC2=O 587465464 DFFLWYBWFYBEGV-LJQANCHMSA-N 366.392 4.580 0 1 FJAF O=C1C[C@@H](c2ccc3c(c2)NCCS3)Oc2c1ccc1c2CCCC1 587538583 PTLONGWBMNFEKB-IBGZPJMESA-N 351.471 4.790 0 1 FJAF C[C@]1(CCC(F)=C(F)F)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587547564 LVKKLWBSTYJLFA-HNAYVOBHSA-N 364.319 4.970 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@]21Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604297 SEKDQXSGPTUCKT-YVUMSICPSA-N 350.414 4.693 0 1 FJAF C[C@]1(CCc2ccsc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587620372 YQWDMDJAJCUHGB-GHTZIAJQSA-N 366.438 4.807 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(-c3cccnc3)c([C@H](N=O)C(=O)OC)c2c1 587644488 XEIPRKYXVQETTA-BUXKBTBVSA-N 351.406 4.724 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C(C)(C)C)(C(F)(F)F)N1 587706470 QDQWTBXTLLBARM-RTHLEPHNSA-N 368.212 4.926 0 1 FJAF COc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)cc1C 587804546 BSIYMIBUTNXWAG-BBATYDOGSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3occc3c2)N1 587833159 MBJOBAVPHVYPNC-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)NC1CCCC1 587860604 YYWFAPWXWRDAEM-UHFFFAOYSA-N 368.264 4.756 0 1 FJAF CCN(CCCCCOc1ccc(C(C)=O)c(O)c1)Cc1ccccc1 1857556441 WNVWGMFGWQAZCS-UHFFFAOYSA-N 355.478 4.666 0 1 FJAF CCc1cc(CC)n2nc(-c3cccc(O)c3)c(-c3ccc(O)cc3)c2n1 13584992 RFHQQANZAVFIOH-UHFFFAOYSA-N 359.429 4.599 0 1 FJAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@H]2[C@@H](C)CCC[C@H]21 29220209 ZAWHOLMDNIHGEJ-MZCRQRMVSA-N 351.446 4.610 0 1 FJAF Nc1ncc(-c2ccc(C(F)(F)F)cc2)c(-c2c[nH]c3ccccc23)n1 43020232 MFDANRLNPBAUHU-UHFFFAOYSA-N 354.335 4.893 0 1 FJAF COc1cc(OC(C)=O)cc2c1N(Cc1ccccc1)C(C)(C)C=C2C 66259341 UYJNIEUUDZODCR-UHFFFAOYSA-N 351.446 4.823 0 1 FJAF C[n+]1ccn(CCCCCCCCCCCCCCCn2cc[n+](C)c2)c1 73167758 XTPFQGNLERATQV-UHFFFAOYSA-N 374.617 4.710 0 1 FJAF O=C(Nc1ccc(Cl)cc1)Nc1ccc(CC[C@@H]2CCCNC2)cc1 117721944 NRKZUGLLRMIIEM-INIZCTEOSA-N 357.885 4.916 0 1 FJAF OCc1cccc(-c2ccc3nc(-c4ccc(Cl)cc4)cn3c2)c1F 117926838 QZBWMCZLJVVPTO-UHFFFAOYSA-N 352.796 4.953 0 1 FJAF c1ccc2c(c1)CCN2CCCN1CCC(c2c[nH]c3ccccc23)CC1 137011544 MFDYWYJOGOJHIF-UHFFFAOYSA-N 359.517 4.800 0 1 FJAF CN(C)CCC[C@@]1(c2cccc3ccccc23)OCc2cc(C#N)ccc21 142612352 AAWULYVNLMFIDB-XMMPIXPASA-N 356.469 4.827 0 1 FJAF CSc1nn(-c2ccccc2)c2cc(NCCC3CCNCC3)ccc12 169706053 RGCVDOGZPSHUBJ-UHFFFAOYSA-N 366.534 4.549 0 1 FJAF C[C@H]1CCCN1c1nc2cc(C(=O)O)ccc2nc1-c1coc2ccccc12 205435517 SOOFJAKEDDEPQZ-ZDUSSCGKSA-N 373.412 4.730 0 1 FJAF CC(=O)N1C[C@@]2(CCCCN2Cc2ccc(Cl)cc2)Cc2ccccc21 299852177 ONTWTQXNIVFXRK-JOCHJYFZSA-N 368.908 4.674 0 1 FJAF CC(=O)c1ccc(-c2cccc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)c2)cc1 586879643 HWOLNUFZHFQHAF-UHFFFAOYSA-N 374.371 4.937 0 1 FJAF Cc1nc(COc2cccc(-c3nc4cc(Cl)cnc4[nH]3)c2)cs1 587020343 ODJCNVZILTUWEZ-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF C[C@]12Cc3c(nc4cccc5c4c3-c3ccccc3C5=O)C=C1CCC2=O 587208184 RALJJFFFLXNBNR-DEOSSOPVSA-N 351.405 4.755 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(F)c(Cl)cc1Cl)[C@@H](C2)C3=O 587424680 RYHVDZKRBCKJSX-DYZYQPBXSA-N 353.176 4.630 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Cc4ccccc4)s1)[C@@H](C2)C3=O 587453639 XVWZFRIYWSITKO-JTSKRJEESA-N 362.450 4.836 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1ccc(Br)o1)CC2=O 587461065 WCFMDQXULLEYMC-KRWDZBQOSA-N 365.223 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c(Cl)ccnc1Cl)CC2=O 587463037 VEPBBXCSXVZKJH-AWEZNQCLSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587469682 OOSYPUNOZVDCOA-STCFGPAYSA-N 357.450 4.640 0 1 FJAF COCCCOc1cccc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587522447 LYUCVVXWPWKTFF-QFIPXVFZSA-N 366.457 4.687 0 1 FJAF CCc1nc2c(s1)[C@@]1(CCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587535341 KFQXHQMSPAZDET-OAQYLSRUSA-N 353.487 4.781 0 1 FJAF CCOc1ccc(-c2[nH]c3c(C)cc(Cl)cc3c2CC(=O)O)cc1F 587624398 JGAIJGJJDXFJTN-UHFFFAOYSA-N 361.800 4.962 0 1 FJAF CCc1c(C)[nH]c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c1C 587795506 XWOLUHGJKSIUJA-NIVTXAMTSA-N 365.290 4.719 0 1 FJAF CSC[C@]1(C(C)(C)C)N[C@H](C)Cc2ccc(F)c(Br)c21 587841895 CMJWIJOTKKQVHZ-HWPZZCPQSA-N 360.336 4.727 0 1 FJAF CS[C@@H]1CCCC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587847357 WPEJMJGWNOMTBT-JQAFLVLXSA-N 358.320 4.623 0 1 FJAF CCC[C@@H](c1nc2cc(C(=O)OC)cc(Br)c2[nH]1)C(C)C 587955691 TZFLNEINNJPIGF-LLVKDONJSA-N 353.260 4.652 0 1 FJAF CC(=O)N1N=C(c2ccc(-n3cccc3)cc2)C[C@@H]1c1ccccc1Cl 653781792 WDGRYIYRIKEHAG-OAQYLSRUSA-N 363.848 4.828 0 1 FJAF COc1cccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)c1 653884751 IPYHNVZRKHHBGI-QPTUXGOLSA-N 370.452 4.836 0 1 FJAF CC[C@H](C)C=CC=C(C)C[C@H](C)C=CC=C[C@H](O)[C@]1(C)C=C(O)C(=O)O1 2356865596 WCQMJODEMARIPM-AXRVMRSRSA-N 360.494 4.792 0 1 FJAF FC(F)(F)c1ccc(N2CCN(CCCCc3cccs3)CC2)cc1 2382246754 WELLYILKSVJXTN-UHFFFAOYSA-N 368.468 4.912 0 1 FJAF CCN(C(=O)c1cc2cc3ccc(C)cc3nc2o1)c1ccc(OC)cc1 4034761 OCCHEZXPMFQBFC-UHFFFAOYSA-N 360.413 4.965 0 3 FJAF CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C([C@H](C)N(C)C=O)[C@@]4(C)CC[C@@H]32)C1 13587856 UWFDYAWULNEXBD-YULCGJSVSA-N 371.565 4.977 0 1 FJAF biogenic NC(=O)CCCCCOc1cc(-c2ccccc2)cc(-c2ccccc2)n1 13729835 TWPWFLNKGCYTGP-UHFFFAOYSA-N 360.457 4.840 0 1 FJAF CC(=O)O[C@@H]1CC(C)(C)[C@H]2CC(=O)c3cc(C(C)C)c(O)cc3[C@]2(C)C1 15045604 LVRUFBJYFAGDRK-ZFGLAFRWSA-N 358.478 4.728 0 1 FJAF biogenic C[C@H]1C[C@@H]2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@H]12 26397020 SYCPRHSKXPRURM-STPRYWCXSA-N 359.554 4.645 0 1 FJAF CCCCCc1c(C(=O)OCC)c(OC(C)=O)c2ccccc2c1OC 27872345 WZTCXSXZTYXUKJ-UHFFFAOYSA-N 358.434 4.683 0 1 FJAF C=Cc1cnn(-c2ccc(C(C)C)cc2)c(=O)c1Oc1ccc(OC)cc1 66156361 NIFLUUBQJCFNNC-UHFFFAOYSA-N 362.429 4.800 0 1 FJAF CCc1cc(OC)ccc1-c1nc(OC)c(NC(CC)CC)nc1CC 72176371 WFZGCJRWJNFEHN-UHFFFAOYSA-N 357.498 4.886 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3cccc(F)c3)ncnc21 82184543 IDLPPQITNGCKKR-HNNXBMFYSA-N 369.488 4.822 0 1 FJAF COc1cc(-c2ccc3ncnc(Nc4ccccc4F)c3c2)ccc1O 143064246 UDYJFMPIXFDZRG-UHFFFAOYSA-N 361.376 4.894 0 1 FJAF O=C1N(c2ccc3sc(F)cc3c2)CCN1c1cnccc1C1CC1 144706030 MXUZPNOHSJMPNN-UHFFFAOYSA-N 353.422 4.759 0 1 FJAF Cc1ccc(Oc2cc([C@H](O)C[C@H]3CCCCN3)c3ccccc3n2)cc1 169338131 DDWHUXUCJDQHDD-VGOFRKELSA-N 362.473 4.901 0 1 FJAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)CC1CCCC1 299847441 DKVILNAQMBVZGF-NQIIRXRSSA-N 369.553 4.577 0 1 FJAF Cc1ccc(-c2ccc(-c3nc4c(Br)nccc4[nH]3)cc2)o1 586903922 VRJOOKBNGHSRJO-UHFFFAOYSA-N 354.207 4.956 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2ccc3c(c2[nH]1)CCCC3 586918718 ZVIUZQLUSBOMAX-JPYJTQIMSA-N 360.457 4.658 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3csc([C@@H]4CCCO4)n3)nc2c1 587016799 NVCLELFUWXMOHA-LBPRGKRZSA-N 364.268 4.609 0 1 FJAF COc1cc(OC)c2nc(-c3ccncc3-c3ccc(Cl)cc3)[nH]c2c1 587077421 XEOHYUIQAVTOKT-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF Fc1ccc(/C=C(\c2nc3cnc(Cl)[nH]c-3n2)c2cccs2)cc1 587164070 NTCJLNDYIJUVIR-WQLSENKSSA-N 356.813 4.747 0 1 FJAF Cc1c[nH]c(C)c1[C@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346913 NZSLEECZXKENKS-IRLDBZIGSA-N 365.404 4.751 0 1 FJAF COc1cccc(-c2c(C)c(CCC(=O)O)nc3c2oc2ccccc23)c1 587367871 YXLRGGNWKITZQC-UHFFFAOYSA-N 361.397 4.982 0 1 FJAF CC[C@]1(c2ccccc2C(F)(F)F)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587423414 YFYYRYOJJMVKQY-DNVCBOLYSA-N 362.347 4.767 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C(F)(F)F)cc1O)CC2=O 587464700 WFXSIGRSMIXHHO-QGZVFWFLSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(C3CC3)n(C(C)C)n1)CC2=O 587476246 QVAQJWMDMCHBHT-FQEVSTJZSA-N 354.450 4.706 0 1 FJAF Cc1cc(C(=O)O)cc(C)c1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587528935 GWHYEHQFSXMYAV-IBGZPJMESA-N 350.414 4.587 0 1 FJAF Cc1cc([C@@]2(C)N[C@@H](C)Cc3ccc(F)c(Br)c32)ccc1F 587715589 IFRRTZYZADVQPV-BBATYDOGSA-N 366.249 4.833 0 1 FJAF Cc1cccc2c1CC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587818099 PVYOGCMEWMRBTI-BLVKFPJESA-N 360.270 4.621 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)cc1 587934486 AWBDSFSVMAMHQX-UHFFFAOYSA-N 370.334 4.666 0 1 FJAF COc1ccc2c(c1)[C@]1(CCCc3c(F)cc(OC)cc31)N(C(C)C)CC2 962093737 PUCPNQWMPPYNLU-QHCPKHFHSA-N 369.480 4.689 0 1 FJAF O=c1c(NCc2ccc(Cl)c(Cl)c2)cccn1Cc1ccccc1 1772573928 RWJRQHNULVFLCP-UHFFFAOYSA-N 359.256 4.816 0 1 FJAF OCCCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1 1772648423 SUWNBMFOVLOFAU-UHFFFAOYSA-N 353.853 4.648 0 1 FJAF CSc1ccc(/C=C2/C(C)=C(CCc3nn[nH]n3)c3ccccc32)cc1 1857559323 ZENKJWMAMPRYFQ-MOSHPQCFSA-N 360.486 4.882 0 1 FJAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1CCC(C)=C[C@@H]1O)[C@@](C)(O)CCC=C(C)C 2356660000 APHIXPILELNTEX-YOESJJQFSA-N 366.542 4.549 0 1 FJAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccsc3)n2c1 73275247 VMEYUUAUEWKXTF-UHFFFAOYSA-N 362.454 4.749 0 3 FJAF CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(CC=C(C)C)c(O)c12 13393275 FSOGIJPGPZWNGO-ZDUSSCGKSA-N 372.461 4.894 0 1 FJAF endogenous,in-man COc1ccc2[nH]c(C(=O)c3cc4cc(Br)ccc4[nH]3)cc2c1 13687717 IKOZIAJRQVLANS-UHFFFAOYSA-N 369.218 4.651 0 1 FJAF CC[C@H](c1ccc(Cl)c(Cl)c1)n1c(C(=O)OC)c(C)[nH]c1=S 28351724 JWQMHEKMBFFDIA-GFCCVEGCSA-N 359.278 4.947 0 1 FJAF NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1 28528372 OWHSAASMRWOHHO-UHFFFAOYSA-N 362.820 4.726 0 1 FJAF CC(C)(C)c1ccccc1-c1ccc2c(=O)cc(N3CCOCC3)oc2c1 28529587 PGLKKXYOOPYNQG-UHFFFAOYSA-N 363.457 4.594 0 1 FJAF O=C1Nc2cccc(Br)c2C1(c1ccccc1)c1ccccc1 29545240 DRLXHRSSWMUEQK-UHFFFAOYSA-N 364.242 4.736 0 1 FJAF CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)no1 40891722 CJUNRHGYKDHACB-UHFFFAOYSA-N 350.422 4.602 0 1 FJAF COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=C\c1ccc(C)o1 45353853 WUFXZESRBCIROJ-RGEXLXHISA-N 357.409 4.678 0 1 FJAF Fc1cccc(C[n+]2ccc3c(c2)[nH]c2ccc(Br)cc23)c1 45355450 VAAIIBFAUGAOSE-UHFFFAOYSA-O 356.218 4.559 0 1 FJAF CCN(CC)c1ccc(-c2nc3c(C)c(C)ccc3c(C(=O)O)c2O)cc1 52971498 XKLXURVVBPOZEW-UHFFFAOYSA-N 364.445 4.769 0 1 FJAF COc1cccc(/C=C/c2nc3ccccc3c(=O)n2Cc2ccccc2)c1 72105049 CAKHBICIDRAWDR-CCEZHUSRSA-N 368.436 4.624 0 1 FJAF CCCSc1nc2c3ccccc3nc-2c(O)n1-c1ccc(F)cc1 100705382 ILSWUVVHRWXVPW-UHFFFAOYSA-N 353.422 4.872 0 1 FJAF CC(C)Sc1nnc(-c2nc3ccccc3n2Cc2ccc(F)cc2)o1 103285989 JHFNGWCKAQRHJX-UHFFFAOYSA-N 368.437 4.774 0 1 FJAF COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)[C@@H](OC(C)=O)C[C@@H]12 238755691 KTQALDLKCGBREQ-GHIJRLNRSA-N 374.521 4.836 0 1 FJAF OC[C@@H]1[C@H]2CC[C@H]3CC[C@H]1N(C/C2=C\c1ccc(-c2ccccc2)cc1)C3 299815553 HMYQAZJCQGMLQI-ZZYQPFLESA-N 359.513 4.850 0 1 FJAF CN=c1[nH]c(C)c(C2=NN(c3ccccc3)[C@@H](c3ccc(C)cc3)C2)s1 473124765 OZOYIGBEUNELNE-LJQANCHMSA-N 362.502 4.579 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4cc(C(F)(F)F)ccc4[nH]3)oc12 586904287 UNTAPNMMGLDPSG-UHFFFAOYSA-N 360.291 4.816 0 1 FJAF Cc1cccc2nc(COc3ccc(Cl)cc3Br)[nH]c12 586977410 NMHOMMZFVBFOBQ-UHFFFAOYSA-N 351.631 4.866 0 1 FJAF Clc1cc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c2ccccc2n1 587085413 RIQMLRCMAZAFLM-UHFFFAOYSA-N 351.793 4.593 0 1 FJAF Nc1ccc(-c2nc3cc(Br)cc(F)c3[nH]2)c(C(F)(F)F)c1 587095309 CKZGXDUMOQRVLX-UHFFFAOYSA-N 374.135 4.733 0 1 FJAF Cc1cc(Br)c2[nH]c(-c3cnc4c(F)cccc4c3N)nc2c1 587176842 VFWJEKBQCYIHIP-UHFFFAOYSA-N 371.213 4.570 0 1 FJAF CCc1ccccc1NC(=O)c1nc2cc(SC(F)(F)F)ccc2[nH]1 587240950 LVIRYVRQJHCHKB-UHFFFAOYSA-N 365.380 4.990 0 1 FJAF COc1cc2c3c(c1)O[C@](c1cccs1)(c1ccccc1C)[C@@H](C2)C3=O 587452713 TWDOYUOWSJAHGB-HTAPYJJXSA-N 362.450 4.756 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](C(C)(C)CN1CCCCCC1)CC2=O 587476400 SVCCCHLJDBPLOT-HXUWFJFHSA-N 359.510 4.581 0 1 FJAF O=C1C[C@@]2(CCC[C@@H](c3ncccc3O)C2)Oc2c1ccc1c2CCCC1 587518357 GNIUNXFPZAXKHU-MWTRTKDXSA-N 363.457 4.728 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1coc2ccccc12 587616654 LQSDZLRUCOXKMG-KNQAVFIVSA-N 358.349 4.841 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc3ccccc3n2)N1 587779144 QKDPXFJUVRJLGT-NSPYISDASA-N 371.253 4.760 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cc(OC)cc(OC)c4[nH]3)c2)cc1 587935577 OFNYWIVVDCPHKW-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF Fc1ccc2c(c1)[C@@]1(CCC2)NC2(CC2)Cc2ccc(Br)cc21 961316499 CEXNAOVRGAKFTA-FQEVSTJZSA-N 372.281 4.846 0 1 FJAF C[C@H](O)[C@@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668698 OAKWEONNVUICRX-GKVSMKOHSA-N 368.480 4.605 0 1 FJAF FCCn1cc([C@@H]2c3c(F)cccc3C[C@H]3CCCN32)c2ccccc21 963098755 JCCWBMYJMPXMMP-OPAMFIHVSA-N 352.428 4.860 0 1 FJAF CCC1=C[C@@]2(CCC1)N[C@@H](C(=O)O)Cc1cc(C(F)(F)F)c(Cl)cc12 963188137 VPIVXPLAZDPRJB-NVXWUHKLSA-N 373.802 4.673 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(Cl)nc(Cl)c1N 963240059 KGVZQKMGYBLDCT-HXPMCKFVSA-N 364.320 4.891 0 1 FJAF COC(=O)C=C(C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@@H]1C 2356519663 LNECUDALXOQOBS-DBXVSBKESA-N 362.510 4.838 0 1 FJAF CC(=O)O[C@]1(C)CC[C@@H](O)[C@@]2(C)CCC(C(C)C)=CC=C(C)CC[C@H]1O2 2356790380 FMVZGYMVZQDYSU-GXRSIYKFSA-N 364.526 4.710 0 1 FJAF CCC/C=C1/CCCO[C@](C(=O)NCc2ccccc2)(C(F)(F)F)C1 13828965 CUMSVDVDOMMYBC-CQYSBYMNSA-N 355.400 4.531 0 3 FJAF CS(=O)(=O)c1ccc(C2=C(c3cc(F)c(F)c(F)c3)CCC2)cc1 13744290 GHCHZMHSALGQFQ-UHFFFAOYSA-N 352.377 4.602 0 1 FJAF CC(C)=CCC/C(C)=C/CC/C(C)=C/COC[C@]1(O)CN2CCC1CC2 13757107 IEGUVCFKGDIKGJ-HWYUWUSQSA-N 361.570 4.879 0 1 FJAF CN1CCN([C@@H]2C[C@@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1(C)C 22938023 QMXMQVFBAZCMSE-PZJWPPBQSA-N 356.460 4.568 0 1 FJAF CC[C@H](C)Nc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc(C)c2)n1 82160114 WWPFPNRLTDONIZ-KRWDZBQOSA-N 366.509 4.535 0 1 FJAF CCCCC[C@H]1C=C[C@H](CCCCC[C@H](C(=O)O)[C@H](O)CCCO)CC1 85492932 HLBPUFFLXMVORW-XSDIEEQYSA-N 368.558 4.934 0 1 FJAF biogenic,in-vitro CC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@H]1CC[C@@]13C[C@H](C(=O)O)[C@H](CC[C@H]12)C3 100777058 ZKXLEDOCSSUHKY-LGOXWGFVSA-N 362.510 4.663 0 1 FJAF endogenous,in-man Cc1cccc(C)c1NC(=O)NC1C[C@H]2CC[C@H](C1)N2Cc1cccs1 100979831 QBTGOPARCIIRAR-QZTJIDSGSA-N 369.534 4.682 0 1 FJAF COc1ccc(Cl)c(N2CCC3(CCC(CC(=O)O)CC3)CC2)c1 209054277 YIXZOCHHRTUZKL-UHFFFAOYSA-N 351.874 4.600 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586885615 CGLURUDFEVNUIJ-QLJPJBMISA-N 352.331 4.866 0 1 FJAF CC[C@]1(C)C[C@@H]1c1nc2c(Br)ccc(Br)c2[nH]1 586886929 DTKOHVILGKMNRO-FUXBKTLASA-N 358.077 4.992 0 1 FJAF COC(=O)c1cccc2nc([C@@H]3C[C@H]3c3c(Cl)cccc3Cl)[nH]c12 587049468 LVNFRWIWOZZNTO-GHMZBOCLSA-N 361.228 4.927 0 1 FJAF O=C(O)c1cc(C(F)(F)F)ccc1-c1nc2cccc(C(F)(F)F)c2[nH]1 587109465 QDPQSAXMTWTZGS-UHFFFAOYSA-N 374.240 4.966 0 1 FJAF COc1ccc(Cc2nc3ccc(OCc4ccccc4)cc3[nH]2)c(F)c1 587150140 ZQJHCPRRBWKOAN-UHFFFAOYSA-N 362.404 4.880 0 1 FJAF O=C(O)c1cc(F)cc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc12 587163364 IGSJWPCGYWEDEW-UHFFFAOYSA-N 356.353 4.935 0 1 FJAF Fc1nc(Cl)ccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 587177403 HVITWNNDDPRKFH-UHFFFAOYSA-N 353.784 4.996 0 1 FJAF CS[C@@H]1CCCC[C@@]12Oc1cc(O)ccc1C(=O)[C@@H]2c1ccc(F)cc1 587371692 CUKLBQWBUFNNGV-SVFBPWRDSA-N 372.461 4.935 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c(c1)Cc1ccccc1-4)[C@@H](C2)C3=O 587445165 IPEXQUCLZWJAKJ-SQJMNOBHSA-N 368.432 4.929 0 1 FJAF COc1cc2c3c(c1)OC1(CCC4(CCc5ccccc54)CC1)[C@@H](C2)C3=O 587447308 PPPHVNLJPIOSQN-HLJPNSHOSA-N 360.453 4.640 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc3cc(Cl)cnc3o1)CC2=O 587458706 BPOFKUHGWNYFTG-QGZVFWFLSA-N 357.793 4.846 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CSCc3c(F)cccc31)CC2=O 587470761 IKTFCJXXSFBZDJ-HXUWFJFHSA-N 358.434 4.591 0 1 FJAF O=C1C[C@H](c2cc(O)cc(Br)c2)Oc2c1ccc1c2CCCC1 587506411 XWPVMIYZSDAJRN-GOSISDBHSA-N 373.246 4.740 0 1 FJAF COc1ccc2nccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c2c1 587527343 TWJYSULOHNUUEF-JOCHJYFZSA-N 359.425 4.829 0 1 FJAF C[C@]1(c2csc(Cl)c2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615197 WXFXLMLUXWWEKS-VQIMIIECSA-N 372.829 4.984 0 1 FJAF Cc1ccc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)cc1F 587724319 GVRRVJGJGRTNBN-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2ccc(S)cc2)N1 587847413 XMXSOVXURHJNJF-DYZYQPBXSA-N 366.299 4.675 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(C(F)(F)F)cnc2[nH]1 587933997 DOHTUAZHXRZOFQ-UHFFFAOYSA-N 359.351 4.558 0 1 FJAF Cc1cc(OC(C)(C)C)n(CC2CCN(Cc3ccc(F)cc3)CC2)c1O 587946971 OWEKKGMPIAUSEJ-UHFFFAOYSA-N 374.500 4.731 0 1 FJAF COc1ccc([C@@H]2[C@@H]3C(=NN2C)c2ccccc2O[C@@H]3c2ccccc2)cc1 653857506 MDWADHPSBOTRTJ-QPTUXGOLSA-N 370.452 4.836 0 1 FJAF COc1cc2c(cc1OC)[C@]1(CC[C@@H](c3ccccc3)C1)N(C)[C@H](C)C2 962631095 QIKULXJJAVNYPU-JTUHZDRVSA-N 351.490 4.743 0 1 FJAF C[C@@H](O)[C@]1(c2c[nH]c3ccccc23)NCCc2cccc(-c3ccccc3)c21 962668695 OAKWEONNVUICRX-CRICUBBOSA-N 368.480 4.605 0 1 FJAF O=C(O)c1cccc2c1CCN[C@@]21CCC[C@@H](c2ccc(Cl)s2)C1 963129525 GFNZCOPKQDHQTG-CWTRNNRKSA-N 361.894 4.799 0 1 FJAF CC(C)c1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)nn3c2)cc1 1857615757 RVLVNCVBSLDNIO-UHFFFAOYSA-N 372.432 4.559 0 1 FJAF Cc1cc(-c2nccc3c(Nc4ccc(F)cc4F)c(N)oc23)ccn1 1857771756 GUKBTRRJECUTIY-UHFFFAOYSA-N 352.344 4.802 0 1 FJAF CC(=O)OC[C@@H]1CC[C@]2(C)C(C(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 2356428243 CSQRHRPGMJMXPY-HVJHZFLKSA-N 374.477 4.619 0 1 FJAF CC=C(C)C[C@H](C)[C@H](O)[C@H](C)C(=O)[C@@H](C)C=C(C)C=CC[C@H](C)C(=O)O 2356520613 SVBYZDJRYNOEIV-HVTWWXFQSA-N 364.526 4.794 0 1 FJAF CC(=O)OCC=C(C)CCC=C(CO)CCC=C(C)[C@@H](O)CC=C(C)C 2356715733 PQGMCBMSYRPHIV-QFIPXVFZSA-N 364.526 4.638 0 1 FJAF CC(C)c1ccc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)N(C)C)cc1 4081359 QIBDNAUYLWUMDY-QUCCMNQESA-N 370.880 4.643 0 1 FJAF COC(=O)[C@]1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21 26718333 SCIFAMUXVONJNS-VWLOTQADSA-N 356.465 4.877 0 1 FJAF CN1CCC[C@@H]1CCn1ccc2cc(NC(=N)c3cccs3)ccc21 72105088 PRVOGTVRVMVUHG-QGZVFWFLSA-N 352.507 4.625 0 1 FJAF FC(F)(F)c1cccc(-c2nc3/c(=N/c4ccccc4)[nH]ccc3[nH]2)c1 74386598 NBXPSTOPRSJCMO-UHFFFAOYSA-N 354.335 4.809 0 1 FJAF Cc1ccc([C@@H]2C[C@@H]3CC[C@@H]([C@@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 100728103 ZVYVEQWQWNSQIJ-ZIBCJSCZSA-N 369.892 4.820 0 1 FJAF OC[C@H]1[C@@H]2CC[C@H]3CC[C@H]1/C(=C/c1ccc(-c4ccccc4)cc1)CN2C3 103028567 HMYQAZJCQGMLQI-ABFKLUANSA-N 359.513 4.850 0 1 FJAF CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1ccc(OC)c(O)c1 103246257 SSYQGKJEKGYGMY-SFHVURJKSA-N 365.366 4.778 0 1 FJAF C[C@@H](Oc1ccc(CCC(=O)O)cc1)c1nc(-c2ccc(Cl)cc2)no1 170602544 KXWNMHUBWDFCOE-GFCCVEGCSA-N 372.808 4.547 0 1 FJAF Cc1ccc([C@@H](C)[C@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586885599 CGLURUDFEVNUIJ-HWPZZCPQSA-N 352.331 4.866 0 1 FJAF FC(F)(F)c1cc(Cl)c2[nH]c([C@@H]3COc4ccccc4O3)nc2c1 586918890 TUFRKUJTFKZLCX-ZDUSSCGKSA-N 354.715 4.748 0 1 FJAF FC(F)(F)Oc1ccc2nc([C@H]3SCCc4sccc43)[nH]c2c1 587036693 JVOAJXOVKFMNBO-ZDUSSCGKSA-N 356.394 4.902 0 1 FJAF Fc1cncc(-c2nc3cc(C(F)(F)F)cc(Br)c3[nH]2)c1 587177258 SGOGQZHEXIPSMB-UHFFFAOYSA-N 360.108 4.545 0 1 FJAF Cc1cc([C@@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)ccn1 587338569 OJZJYJJCCQXQAC-RBBKRZOGSA-N 363.388 4.509 0 1 FJAF COc1cccc(-c2cc(-c3ncc[nH]c3=N)nc3c2oc2ccccc23)c1 587364065 ZUYTVMXWOMBBAP-UHFFFAOYSA-N 368.396 4.526 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCc4cc(Cl)c(Cl)cc41)[C@@H](C2)C3=O 587423577 WAKQUBHORREBOR-DJJJIMSYSA-N 361.224 4.591 0 1 FJAF Cn1ccc2cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)ccc21 587579151 SSAOHKFOAAERCR-OFNKIYASSA-N 371.392 4.587 0 1 FJAF Cc1cccc2c1[C@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818064 PHHZBMWFIHCZNC-BLVKFPJESA-N 360.270 4.621 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC)cn1 587860375 SIXHLAPUEOFLQQ-UHFFFAOYSA-N 364.232 4.648 0 1 FJAF Oc1ccc2ncnc(Nc3ccc(OCc4ccc(F)cc4)cc3)c2c1 1857608259 AHESQESTGYXOPU-UHFFFAOYSA-N 361.376 4.797 0 1 FJAF CSc1nc2cc(C(=O)Nc3cccc(Cl)c3)c(Cl)cc2[nH]1 1857640455 PQWDSVRMQOIZDE-UHFFFAOYSA-N 352.246 4.844 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc4ccncc4c3)nc2c1 1911583255 QXTKUTPKHLSAKT-RUZDIDTESA-N 352.330 4.613 0 1 FJAF Cc1nc2cc(C(=O)CCC3CCN(Cc4ccccc4)CC3)ccc2[nH]1 606692 LTHKGHCYYOBVQU-UHFFFAOYSA-N 361.489 4.746 0 1 FJAF COc1ccccc1-c1onc(-c2ccccc2F)c1C(=O)NCC(C)C 775462 NPGCEASDPJQLDT-UHFFFAOYSA-N 368.408 4.542 0 1 FJAF CC(=O)O[C@@H]1CC(C)(C)[C@@H]2CC(=O)c3cc(C(C)C)c(O)cc3[C@]2(C)C1 13480882 LVRUFBJYFAGDRK-XDCJIHQESA-N 358.478 4.728 0 1 FJAF biogenic CCCOC(=O)c1ccc(Cl)cc1NC(=O)c1ccccc1Cl 28956592 WDFVYXLQIFXCOP-UHFFFAOYSA-N 352.217 4.813 0 1 FJAF CC(C)Cc1ccc([C@@H](C)c2nn(CN3CCCCC3)c(=S)o2)cc1 64447798 XZNNCLGZRFXGEJ-MRXNPFEDSA-N 359.539 4.999 0 1 FJAF C[C@](O)(CSc1ccccc1)c1nc(-c2ccc(F)c(Cl)c2)no1 73294314 IFRDDBPCOSYMKI-KRWDZBQOSA-N 364.829 4.529 0 1 FJAF C=C1C=C(C(F)F)n2ncc(C(=O)Nc3ccc([C@H](C)CC)cc3)c2N1 102815224 HTBKKXHYVBAOLT-LLVKDONJSA-N 358.392 4.694 0 1 FJAF Clc1ccc(N2CCN(CCCCc3nc4ccccc4o3)CC2)cc1 169350281 MPXAUEBSMOIQSB-UHFFFAOYSA-N 369.896 4.626 0 1 FJAF COc1cccc([C@@H]2CC(=O)[C@H]3Sc4cc(F)ccc4N=C3C2)c1OC 169715458 LWFXBLUNKCDGDV-YBTHPKLGSA-N 371.433 4.536 0 1 FJAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2ccc(F)cc2)n(-c2ccccc2)n1 204750794 SOXOMWQCZJSTNP-SUMWQHHRSA-N 350.397 4.779 0 1 FJAF O=C(Nc1ccccc1Cl)c1nc2cc(F)c(C(F)(F)F)cc2[nH]1 587060439 MBVJNTGGUMWJAW-UHFFFAOYSA-N 357.694 4.627 0 1 FJAF COc1cccc(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1O 587107141 OXOOSOATSWITMF-UHFFFAOYSA-N 353.377 4.827 0 1 FJAF CCOc1cc(/C=C\c2nc3ccnc(Cl)c3[nH]2)ccc1OC(F)F 587130396 LMQITBDUPQMUGL-XQRVVYSFSA-N 365.767 4.782 0 1 FJAF CC(C)(C)C(=O)Nc1cccc(-c2nc3ccc(C(C)(C)C)nc3[nH]2)c1 587242081 OOQAPAUMUYSRMS-UHFFFAOYSA-N 350.466 4.907 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(CCc3ccccc3C2)[C@H]1c1ccc(F)cc1 587353879 PHDUCYXYJVKUPU-UPVQGACJSA-N 374.411 4.818 0 1 FJAF C[C@@]1(C2CCSCC2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587375084 QOMPKEMWDOVBJT-FPOVZHCZSA-N 372.461 4.792 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc(OC(C)(C)C)cc1)[C@@H](C2)C3=O 587442927 ZZWNNFJNTNGNOK-HTAPYJJXSA-N 352.430 4.535 0 1 FJAF Cc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1F 587556598 XUSWVINHDMFHPC-NQIIRXRSSA-N 350.345 4.543 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2c(F)cccc2F)N1 587715315 CFABEQSPGMIDEA-VVVCHXIZSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CCC[C@H]2CCCF)N1 587722489 ZBRHQDSLNNSHNO-ZUCKAHLUSA-N 358.270 4.868 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](Cc2ccccc2F)N1 587726844 LJQZMTMIUZXOKL-BMIGLBTASA-N 352.222 4.545 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccn(C(C)(C)C)c2)N1 587755311 OROPGYSWEYAPGY-APPDUMDISA-N 365.290 4.768 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)c(F)cc2[nH]1 587782517 NYMFBAHQMOSDDH-UHFFFAOYSA-N 352.340 4.793 0 1 FJAF Cc1ccsc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587846132 TZWYGJGNFZXOEN-QLJPJBMISA-N 354.288 4.756 0 1 FJAF CSc1ccc(-c2csc(/C(=C\c3ccccc3O)C(=O)O)n2)cc1 587924604 FHGUHMJHOLSXSE-XNTDXEJSSA-N 369.467 4.863 0 1 FJAF Cn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)cn1 653817145 MSSFKFFUKSRZMQ-UHFFFAOYSA-N 353.788 4.566 0 1 FJAF COc1cc2c(cc1OC)[C@]1(c3ccc(Cl)cc3C[C@@H]1C)N(C)[C@H](C)C2 962639191 PQHUSZMDZJFDPI-VVYDWRJNSA-N 371.908 4.669 0 1 FJAF O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)c1ccc(Cl)cc1 1772614895 ZKGBCCSMTYGIIN-UHFFFAOYSA-N 363.804 4.841 0 1 FJAF COc1c(F)cccc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772624261 FRAQUKFMRKLPDU-OAHLLOKOSA-N 357.406 4.564 0 1 FJAF Cc1nc2c(cc1Cn1cc(-c3ccccc3)nn1)CCCc1ccccc1-2 1857646784 VBUJNZMXZUFRQV-UHFFFAOYSA-N 366.468 4.853 0 1 FJAF CCOP(=O)(OCC)[C@H](Nc1ncccn1)c1ccccc1Cl 1857656496 WBDWMGWJLSZYPM-AWEZNQCLSA-N 355.762 4.507 0 1 FJAF Cc1csc(-c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2)n1 2659341 HUAUTAHFJLXIKL-UHFFFAOYSA-N 360.442 4.557 0 3 FJAF C=Cc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(O)nc1C 5891337 LKDMBBITLLHPTI-UHFFFAOYSA-N 350.205 4.799 0 1 FJAF Cc1ccc(CN2CCC(CC(=O)N3c4ccccc4C[C@@H]3C)CC2)cc1 13860168 JUCOWYBTHHKLNZ-IBGZPJMESA-N 362.517 4.575 0 1 FJAF CCCc1cc(=O)oc2c3c(c4c(c12)O[C@@H](CCC)C=C4)O[C@@H](C)CC3=O 29133747 DSFIRUMIZRKUPV-JSGCOSHPSA-N 368.429 4.674 0 1 FJAF CC/C=C\C[C@H](O)/C=C/C=C\C=C\C=C\[C@@H]1O[C@@H]1C/C=C\CCC(=O)O 34961930 BOFBVWROGCPAFH-XAMYNZQKSA-N 358.478 4.507 0 1 FJAF in-vitro O=C(Nc1cccc(C(F)(F)F)c1)c1cccc2nc(C(F)(F)F)[nH]c12 45201528 RIOSGCFCCHMISR-UHFFFAOYSA-N 373.256 4.853 0 1 FJAF Cc1[nH]cc(Br)c(=O)c1-c1ccc(Oc2ccccc2)cc1 45230794 YDSBQGOHSZPKBS-UHFFFAOYSA-N 356.219 4.905 0 1 FJAF CC(C)c1n[nH]c(C(C)C)c1CCC(=O)NCc1ccc(F)cc1Cl 58608245 VRLWSSFUAVWTOL-UHFFFAOYSA-N 365.880 4.698 0 1 FJAF CC[C@@H](C)Nc1ncc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(-c2ccccc2)n1 82132766 XEOAYELRNLQUJL-FRQCXROJSA-N 366.509 4.663 0 1 FJAF O=c1ncn2nc(Sc3ccccc3)ccc2c1-c1ccccc1Cl 84615257 VWMWTZJDARCZMJ-UHFFFAOYSA-N 365.845 4.561 0 1 FJAF COc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)C=CC(C)(C)O4)cc1OC 85945467 WBKMMUGBIOVPMR-LJQANCHMSA-N 366.413 4.595 0 1 FJAF biogenic Cc1[nH]n2c(=O)cc(-c3ccc4ccccc4c3)nc2c1-c1ccccc1 137483236 DIYVWYIVOQADON-UHFFFAOYSA-N 351.409 4.818 0 1 FJAF C/C1=C/C[C@@H](OC(=O)c2ccc(O)cc2)/C(C)=C\[C@H](O)C(C)(C)CCC1 144130015 JDZBITULCWBIMC-YHYBFBBBSA-N 358.478 4.771 0 1 FJAF CC(=O)OCC[C@@H](C)CC[C@]1(C)C2=C[C@H]3C[C@](C)(C(=O)O3)[C@@H]2CC[C@H]1C 238736060 LXCVGCVXRUEODC-OLFBRYRQSA-N 362.510 4.670 0 1 FJAF COc1cc2nc(-c3ccnc(SCC(F)(F)F)c3)[nH]c2cc1C 587090873 AVQZPLMIKYQPDF-UHFFFAOYSA-N 353.369 4.596 0 1 FJAF Cc1ccc2c(ccc3nc([C@H]4CCC[C@@H]4NC(=O)OC(C)(C)C)[nH]c32)n1 587233300 MHDLBCAWCKKSBA-GJZGRUSLSA-N 366.465 4.580 0 1 FJAF C[C@]12C[C@@H]1CCC[C@@]21Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587354516 QWKXPSZLZBAHSN-ZAIHJIDKSA-N 352.405 4.839 0 1 FJAF O=C1c2ccc(O)cc2O[C@]2(C=COc3ccccc32)[C@@H]1c1ccc(F)cc1 587357308 MTIONBOHCZDPNQ-GGAORHGYSA-N 374.367 4.692 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCOc3c(C)cccc31)CC2=O 587494684 ZPUDLMXOEHXLCZ-QFIPXVFZSA-N 352.430 4.686 0 1 FJAF COc1cc(F)c2c(c1)CC[C@]21CC(=O)c2ccc3c(c2O1)CCCC3 587503166 DEYNCWJOHSGWEO-QFIPXVFZSA-N 352.405 4.520 0 1 FJAF Cc1nn(C2CCCC2)cc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587516081 QPXNACDTVGBROY-NRFANRHFSA-N 350.462 4.892 0 1 FJAF Cc1nc2ccccc2nc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525501 MMZKUSZDMGPVIM-HSZRJFAPSA-N 358.441 4.698 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(/C=C/c2ccco2)N1 587829997 SBPXAIGVKNROJQ-JEJHASCQSA-N 350.231 4.644 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H](/C=C/c2ccc(O)cc2)N1 587835267 VWXAWDKTTIULOU-WLWFQKCCSA-N 362.242 4.583 0 1 FJAF Cc1ccc(CC[C@@]2(c3ccccc3F)NCCc3c(C)ccnc32)cc1 963089045 PZWASXMXMXFXPA-DEOSSOPVSA-N 360.476 4.860 0 1 FJAF Oc1ccc(OC(F)(F)F)c([C@@H]2c3ccc(F)cc3C[C@@H]3CCCN32)c1 963101860 MFDPQJRXEWWJMV-UGSOOPFHSA-N 367.342 4.540 0 1 FJAF CN1CCc2c(Br)cccc2[C@@H]1c1c(F)c(F)cc(F)c1F 963280850 QBWFDGVHDMMCKF-MRXNPFEDSA-N 374.175 4.583 0 1 FJAF N=C1C(=S)N(c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl 1772592710 SVEPZXLNSVUAEP-UHFFFAOYSA-N 350.230 4.745 0 1 FJAF CN(Cc1ccccc1)Cc1ccc(NC(=O)/C=C/c2cccc(O)c2)cc1 1772657450 TXZOQRXGVMDJCJ-NTCAYCPXSA-N 372.468 4.676 0 1 FJAF Clc1ccccc1COc1cccc2o[nH]c(=Nc3cccnc3)c12 1857763349 GNXFBHAFCGDOKL-UHFFFAOYSA-N 351.793 4.621 0 1 FJAF C[C@@H]1CC[C@@]23C[C@@]4(N=NC[C@@H]4CC[C@H]2[C@@]1(C)CCc1ccoc1)C(=O)O3 2356480085 OJFOBBOSLUSWJP-UUFHMWEXSA-N 356.466 4.565 0 1 FJAF CC(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2 3955742 ORVRPDRWMUXYIY-UHFFFAOYSA-N 362.517 4.501 0 1 FJAF CCCc1ccccc1OC[C@H]1CN(Cc2ccc(Cl)cc2)CCO1 13579737 AJIUZQXFIWGVET-HXUWFJFHSA-N 359.897 4.572 0 1 FJAF CCOC(=S)C[C@H]1C[C@]2(C)[C@@H](O)CC[C@H]2[C@@H]2CCc3cc(O)ccc3[C@H]21 13610496 YBZAMJNCOWAKEA-GAWRCDSNSA-N 374.546 4.589 0 1 FJAF COc1ccc2cc([C@H](c3ccc(C(F)(F)F)cc3)n3cncn3)oc2c1 13680640 HZNXQCYACVRDHF-SFHVURJKSA-N 373.334 4.689 0 1 FJAF CC(C)(C)OC(=O)/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12 13761274 HZJBNZGLYQVGEL-SNAWJCMRSA-N 356.205 4.528 0 1 FJAF CCCCCCn1cc(C(=O)c2ccc(OC)cc2)c(=O)c2ccccc21 28864835 DBWPGGNPDAWNOQ-UHFFFAOYSA-N 363.457 4.821 0 1 FJAF C1=C(c2ccc(CCN3CCCC3)cc2)[C@@H]2CN(C3CCCC3)C[C@H]2C1 29127840 MJQVOFAVZVQEPV-ZJSXRUAMSA-N 350.550 4.603 0 1 FJAF COC(=O)[C@@H](C)Oc1ccc(Oc2ccc3cc(Cl)ccc3n2)cc1 29306409 YLRQOFASNKACAR-GFCCVEGCSA-N 357.793 4.621 0 1 FJAF CSc1ccc(C2=C(c3ccc(F)cc3)C(=O)N3CCC[C@@H]3C2)cc1 29399610 NWKBKPYSERCBRG-QGZVFWFLSA-N 353.462 4.853 0 1 FJAF O=C(Nc1nc(C(F)(F)F)cs1)c1ccc(COc2ccccc2)o1 31511294 MDKLGTXLSFJQRD-UHFFFAOYSA-N 368.336 4.586 0 1 FJAF CSc1ccc([C@H](O)c2nnc(Nc3cccc(Cl)c3)s2)cc1 82078541 PIKAMKUBKBQMPV-AWEZNQCLSA-N 363.895 4.739 0 1 FJAF CC(C)c1ccc(NC(=O)Oc2ccc3c(c2)CN2CCC[C@H]2N3C)cc1 95577278 YRJYPCULCAKMAT-NRFANRHFSA-N 365.477 4.793 0 1 FJAF O=C(Cc1ccccc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccc1 103269193 WCIFGZWWSRTWPB-VWLOTQADSA-N 366.464 4.885 0 1 FJAF CN(c1ccccc1)[C@@H]1C(=O)N(c2ccccc2)[C@@H]1/C=C/c1ccccc1 105481689 LDNPWLLXLIEPKG-QWQIQYONSA-N 354.453 4.620 0 1 FJAF Cc1c(N(CC2CC2)S(=O)(=O)c2ccccc2)sc2ccccc12 115229922 FLVQHIKZAGIJLE-UHFFFAOYSA-N 357.500 4.815 0 1 FJAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNC2CC2)cc1 142489404 VDHZUSVEQZTTKP-UHFFFAOYSA-N 358.441 4.564 0 1 FJAF Cc1cccnc1-c1cc(N2CCC(OCC(C)C)CC2)ncc1Cl 146881609 SISZUGKZNNPWNH-UHFFFAOYSA-N 359.901 4.747 0 1 FJAF O=Cc1cccc(-c2ccc(Cl)c(-c3nc4c(Cl)ncnc4[nH]3)c2)c1 587050566 SFDDSBIIGBBDOT-UHFFFAOYSA-N 369.211 4.806 0 1 FJAF O=C(c1ccc(F)cc1)c1ccccc1-c1nc2cc(F)cc(F)c2[nH]1 587162671 HMZQVMLOJHORJL-UHFFFAOYSA-N 352.315 4.878 0 1 FJAF COC(=O)Nc1ccc(-c2nc3c(C(F)(F)F)cc(F)cc3[nH]2)cc1 587244193 YBIGRTJRKKBECD-UHFFFAOYSA-N 353.275 4.566 0 1 FJAF C[C@]1([C@@H]2C[C@H]3C=C[C@@H]2C3)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587350329 DOUSCSIGXBVLOK-GVVATVGCSA-N 364.416 4.861 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(F)cc(C(F)(F)F)cc1F)O2 587380479 FGNADLCXBFUSOM-AWEZNQCLSA-N 357.278 4.581 0 1 FJAF COc1cc2c3c(c1)O[C@](CCc1ccccc1)(CC(C)C)[C@@H](C2)C3=O 587444122 SGECLNOCUCIIIB-WMZHIEFXSA-N 350.458 4.860 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc([C@H](C)N(C)C)c1)CC2=O 587467046 BWMVKJKRUANXLW-LHSJRXKWSA-N 353.462 4.674 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OC(C)C)c(OC)c1)CC2=O 587485655 QCYOVBWYMHWLRH-HXUWFJFHSA-N 370.445 4.847 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@@H]2C1CC1 587601575 DRMUTCCXFHGTOG-GTCCEBARSA-N 350.414 4.693 0 1 FJAF CC(C)CSC[C@@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587615353 XGFPTQVPKJWDSI-YLJYHZDGSA-N 358.459 4.502 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc(O)ccc2Cl)N1 587699409 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KOGSPVZQJQEUOJ-FQEVSTJZSA-N 369.486 4.568 0 1 FJAF CCN(CC)CCC(=O)N1c2ccccc2N2CCc3cccc(c32)[C@@H]1C 28770241 VWUDFTACGOEWGV-KRWDZBQOSA-N 363.505 4.520 0 1 FJAF CCCC[C@@H](C)[C@H](O)/C=C/[C@@H]1CCC(=O)[C@@H]1C/C=C\CCCC(=O)O 38494324 HYWUHKAWNFZUTL-KILXOWTBSA-N 350.499 4.526 0 1 FJAF O=c1cc(-c2cccc(CNCc3ccc(F)cc3)c2)oc2ccccc12 103272154 KBWYGDNWTIVZJZ-UHFFFAOYSA-N 359.400 4.889 0 1 FJAF CSc1ccc(CCc2nnc(-c3ccc4[nH]cnc4c3)s2)cc1 118806813 KQIGDRLCIOZCDS-UHFFFAOYSA-N 352.488 4.589 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@@H]([C@H]2C(=O)Oc2ccc(Cl)cc2)N3C)cc1 202972675 ZVYVEQWQWNSQIJ-PBASOCQRSA-N 369.892 4.820 0 1 FJAF Cc1ccc([C@@H](C)[C@@H](O)c2nc3ccc(Br)c(F)c3[nH]2)cc1 586886152 DWKUBHIXNGYXOV-QLJPJBMISA-N 363.230 4.610 0 1 FJAF Fc1cnc(Cl)c2[nH]c([C@@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587077947 ZTCXLTMMJRQXPR-ZDUSSCGKSA-N 365.239 4.741 0 1 FJAF Clc1ccc2ccn(Cc3nc4c(Cl)c(Cl)cnc4[nH]3)c2c1 587079393 DKKVLDUTJDUIAH-UHFFFAOYSA-N 351.624 4.921 0 1 FJAF FC(F)(F)Oc1cccc2nc([C@@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081669 YGQNDXHDBWXUCG-ZDUSSCGKSA-N 354.715 4.791 0 1 FJAF Cc1cc(C)c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c(O)n1 587105758 HPIJUQGKUBWXKM-UHFFFAOYSA-N 352.393 4.831 0 1 FJAF C[C@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 587122914 FISVXOHVDXXVMD-UPONEAKYSA-N 373.741 4.526 0 1 FJAF N[C@]1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)C[C@H]1c1ccccc1F 587154309 DBLICIKRFCIGCL-FDDCHVKYSA-N 373.431 4.623 0 1 FJAF Cc1cc(C)cc(Nc2c(N)cccc2-c2nc3ccc(CCO)cc3[nH]2)c1 587240582 GBFLJQAHWPLIKN-UHFFFAOYSA-N 372.472 4.707 0 1 FJAF Cc1cc(C)c([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)[nH]1 587349590 VGGAAPSZWYQKQB-DENIHFKCSA-N 365.404 4.751 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1c(Cl)cccc1Cl)O2 587373453 DINULBKTSBDVFY-SFHVURJKSA-N 350.245 4.851 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1cccc(Br)c1)(C1CC1)O2 587378545 VFDUBUINCSJBRO-IBGZPJMESA-N 372.262 4.610 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@]1(CCOc3c(Cl)cc(Cl)cc31)O2 587380641 WURXBSQQSXXZSM-SFHVURJKSA-N 364.228 4.527 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccc(F)cc1)CC2=O 587472793 VFCQNYLDESDAPW-IBGZPJMESA-N 366.392 4.580 0 1 FJAF Cc1cnc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Br)c1 587506340 XDXLLHUXLVSUSI-QGZVFWFLSA-N 372.262 4.738 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(-c3cccnc3)c([C@@H](N=O)C(=O)OC)c2c1 587644489 XEIPRKYXVQETTA-CWTRNNRKSA-N 351.406 4.724 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc(Cl)c2)N1 587704456 UMTCCQIDMMIOQH-JDNHERCYSA-N 354.650 4.865 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccccc2F)N1 587725411 DGMQICOHQKUHJC-BBATYDOGSA-N 366.249 4.719 0 1 FJAF CCOc1ccccc1OCc1nc2cc(F)cc(C(F)(F)F)c2[nH]1 587780371 QXGYAQPDTDAAMJ-UHFFFAOYSA-N 354.303 4.699 0 1 FJAF CCOc1cccc([C@@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c1 587803529 WXXSKMYMFPXPPD-VOJFVSQTSA-N 364.258 4.611 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(CC[C@@H]3C[C@H]2C3(C)C)N1 587817414 KZLKBRJMNULWKR-BGKXCIEUSA-N 352.291 4.774 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](C2Cc3ccccc3C2)N1 587822367 KAZZXODVMMUACP-JEOXALJRSA-N 360.270 4.579 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cccc3occc23)N1 587828574 OIAFGYYSTDLVHC-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF Cc1cc(C(F)(F)F)n(CCc2nc(-c3ccc(F)c(F)c3)cs2)n1 587922518 VUYVZPOOLNSYAO-UHFFFAOYSA-N 373.350 4.855 0 1 FJAF COc1ccc(-c2cccc(-c3nc4cccc(O)c4[nH]3)c2C)c(OC)c1 587931189 ZLZHOPXZPAZIRW-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)C[C@@H](C)N[C@H]2C 1857617014 GKUMKOVDJSGZMM-ZJUUUORDSA-N 357.504 4.578 0 1 FJAF C[C@@H]1CC[C@@H]2C(C)(C)CCC[C@@]2(C)[C@]12Cc1c(O)cc3c(c1O2)COC3=O 2356371730 OTYOIXMXORVTFK-LMIJESTBSA-N 370.489 4.999 0 1 FJAF NC1=Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12 3974163 XIFIFNLFBBRXNL-IEBWSBKVSA-N 353.897 4.558 0 1 FJAF CCCCN1CCC(COc2nc3ccccc3c3c2CCCCN3)CC1 13492894 XTHVVNZTQJNKLR-UHFFFAOYSA-N 367.537 4.874 0 1 FJAF CN1CCCN(c2nc(-c3ccc(Cl)cc3)cc3ccccc23)CC1 27517589 SFKQZGAJUSIPRV-UHFFFAOYSA-N 351.881 4.697 0 1 FJAF O=C(CCCN1CC[C@@]2(c3ccc(O)cc3)CC[C@@H]1C2)c1ccc(F)cc1 27850859 RJXSEJFTARFUGN-OFNKIYASSA-N 367.464 4.690 0 1 FJAF COc1ccc2cccc(CCCN3CCN(C4CCCCC4)CC3)c2c1 28711315 PVCGAXOYPWJBHG-UHFFFAOYSA-N 366.549 4.731 0 1 FJAF C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@@H]1c1cccc(Br)c1 29335439 HRDNTAOYDUQZEY-BZNIZROVSA-N 364.674 4.903 0 1 FJAF CC(C)=CCN1CC[C@@]2(C)c3c(ccc(O)c3Br)C[C@@H]1[C@@H]2C 36126842 DOUQADGXCVUBSK-ZBQZNYHESA-N 364.327 4.645 0 1 FJAF O=C1O[C@H](c2ccc(OCc3ccccc3)cc2)C(c2ccc(O)cc2)=C1O 40421295 UEVJJDDZMXSBAE-JOCHJYFZSA-N 374.392 4.538 0 1 FJAF COc1cc(/C=C/Cc2cc(OC)c3ccoc3c2)cc(OC)c1OC 40812555 YWFKSIMIEBPFRG-FNORWQNLSA-N 354.402 4.723 0 1 FJAF FC(F)(F)c1ccc2nc(COc3cc4c(cc3Cl)OCO4)[nH]c2c1 40894496 HBQUWDCRWKPTLX-UHFFFAOYSA-N 370.714 4.543 0 1 FJAF C[C@@H]1CN(Cc2ccc(-c3ccc(OC(F)(F)F)cc3F)cc2)C(=O)O1 40939599 OWCWUJSHJYWLST-LLVKDONJSA-N 369.314 4.732 0 1 FJAF Nc1scc(-c2ccc(Br)cc2)c1C(=O)c1ccccc1 43122029 CQJMVFMGVDYQPO-UHFFFAOYSA-N 358.260 4.991 0 1 FJAF O=C(CC/C=C/CCCC/C=C/c1ccc2c(c1)OCO2)N1CCCC1 66078774 LALIMVNVUDRVIW-RQBRCHNQSA-N 355.478 4.948 0 1 FJAF Cc1ccccc1N1C(=O)[C@H](c2ccccc2)C[C@@H](c2ccccc2)C1=O 73200251 CHZJGWKLMTVFHR-SFTDATJTSA-N 355.437 4.826 0 1 FJAF CC[C@H](C)Cn1c(-c2cccnc2)nc2c(NCc3ccccc3)ncnc21 82178393 ASOLTIFXWSNPCX-INIZCTEOSA-N 372.476 4.547 0 1 FJAF CCCc1nc2c(NCCc3ccc(F)cc3)ncnc2n1C[C@H](C)CC 82187576 DKMNDMFEFWXGLX-OAHLLOKOSA-N 369.488 4.619 0 1 FJAF Cc1nc2c(-c3ccc(Cl)cc3Cl)ccnc2n(CC(C)C)c1=O 84688341 OBMMCRFWWSDOHI-UHFFFAOYSA-N 362.260 4.730 0 1 FJAF Cc1cccc(NC(=O)Nc2ccc(-c3cccc4c(N)[nH]nc34)cc2)c1 84758608 KUYWFXLWMIZRKI-UHFFFAOYSA-N 357.417 4.765 0 1 FJAF O=C(NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1)c1ccc2ccccc2c1 101444645 SZQSNCKURPPYDK-DNQXCXABSA-N 370.496 4.765 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cnc2ccccc2c1 115764880 UZIOTRKYFLTIFA-UHFFFAOYSA-N 364.836 4.939 0 1 FJAF Nc1cccc(-c2nccnc2Oc2ccc(Nc3ccccn3)cc2)c1 139328681 BULUPOQOGRCIHU-UHFFFAOYSA-N 355.401 4.657 0 1 FJAF Cc1ccc(Oc2cc([C@@H](O)C[C@@H]3CCCCN3)c3ccccc3n2)cc1 169338126 DDWHUXUCJDQHDD-JTSKRJEESA-N 362.473 4.901 0 1 FJAF COc1ncc(C)cc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988358 PXACKESNQTWVFX-UHFFFAOYSA-N 368.392 4.531 0 1 FJAF CSc1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2c1 586996070 OLUZZRGRFSANQZ-UHFFFAOYSA-N 362.296 4.702 0 1 FJAF CC(C)Oc1cc2nc([C@H]3C[C@@H]3C(F)(F)F)[nH]c2cc1Br 587092776 HBGVSSQYMHPXIX-YUMQZZPRSA-N 363.177 4.778 0 1 FJAF Cc1c(-c2c(O)cc(O)cc2O)nc2cccc3c2c1-c1ccccc1C3=O 587205670 BSZJSSZMBQWVJV-UHFFFAOYSA-N 369.376 4.538 0 1 FJAF CC(C)(C)OC(=O)N[C@H](c1nc2cc(F)c(F)cc2[nH]1)C1CCCC1 587227537 ZHBXECOWMLKVNN-HNNXBMFYSA-N 351.397 4.597 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc(-c3cccs3)nn1C)CC2=O 587493319 FSWPGBPYGAZEFI-SFHVURJKSA-N 368.458 4.513 0 1 FJAF O=C1C[C@H](c2ccc(N3CCCCC3)o2)Oc2c1ccc1c2CCCC1 587512479 DLRXXMZYAYKZIN-HXUWFJFHSA-N 351.446 4.855 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc2ccncc2c1 587585154 CDLZDJOPNBDCFB-OFNKIYASSA-N 369.376 4.643 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](C2(c3ccccc3)CC2)N1 587821405 UUIQXDRFIDFWCG-XIKOKIGWSA-N 360.270 4.895 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2C2(CC(Cc3ccccc3)C2)N1 587822841 MRRXXCQDJKLBIV-LMVFOVOHSA-N 374.297 4.970 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1ccc(F)c(Cl)c1 587868627 QFIUSEXYJRBVRK-UHFFFAOYSA-N 371.721 4.754 0 1 FJAF CC(C)(C)OC(=O)N1CC[C@@H](c2nc(-c3ccc(F)c(F)c3)cs2)C1 587922772 UUCJRXQMHSRAJU-GFCCVEGCSA-N 366.433 4.813 0 1 FJAF COc1ccc(CCCc2nc3cccc(C(F)(F)F)c3[nH]2)cc1OC 587925158 BUWBRDXQJVRNCT-UHFFFAOYSA-N 364.367 4.774 0 1 FJAF CCCCN[C@H](c1cc2ccccc2nc1O)P(=O)(OCC)OCC 1857649230 OYUNTFSOSPMQHX-SFHVURJKSA-N 366.398 4.595 0 1 FJAF C=C(c1cc(Cl)nc(SC)c1)c1ccc2c(c1)c(C(=O)O)cn2C 2382251956 GKHJEVVMMDWNSG-UHFFFAOYSA-N 358.850 4.708 0 1 FJAF CCC[C@H]1CNC(=O)C12CCN(C1(c3ccc(F)cc3)CCCCC1)CC2 13982676 YGXIRUYGAMKSJZ-IBGZPJMESA-N 372.528 4.613 0 1 FJAF Oc1ccc2c(c1)CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1 22931144 QGKGZEGBAYIKEG-LJQANCHMSA-N 356.554 4.543 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(CC(=O)O)cc21 28571562 UPTXQSAYNARODX-UGSOOPFHSA-N 364.272 4.807 0 1 FJAF O[C@@H](CNCC1CCCCC1)[C@H](c1ccccc1)n1ccc2ccccc21 38208806 NEVVQGBYHRTAEI-ZEQRLZLVSA-N 362.517 4.762 0 1 FJAF COc1ccc(-c2nnc(-c3cccc(Br)c3C)o2)c(F)c1 49111747 DNQUNTIKOMGKPS-UHFFFAOYSA-N 363.186 4.622 0 1 FJAF c1ccc(-c2ccc(Oc3cc(NCCc4ccccn4)ncn3)cc2)cc1 82067756 OXHUSVBKJXOZNQ-UHFFFAOYSA-N 368.440 4.986 0 1 FJAF c1cc(OC2C[C@H]3CC[C@@H](C2)C3)c2nc(-c3nnc4ccccn34)ccc2c1 96174976 PADREQKUUXIWHG-BYICEURKSA-N 370.456 4.902 0 1 FJAF O=C(Nc1ccc(F)cc1)c1ccccc1OCc1ccc(Cl)nc1 103169043 IYAUTYZLEUJUEB-UHFFFAOYSA-N 356.784 4.705 0 1 FJAF CS(=O)(=O)c1ccc(/C=C(\c2ccccc2)c2ccc(F)c(F)c2)cc1 103186576 WEYGHJFCMIJPFX-CPNJWEJPSA-N 370.420 4.957 0 1 FJAF CCCNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12 103244700 JCXDVZYUVCTSLE-UHFFFAOYSA-N 357.837 4.525 0 1 FJAF Cc1nn(Cc2csc3ccc(Cl)cc23)c2cc(CC(=O)O)ccc12 205661597 SZUPNJNHLRGASI-UHFFFAOYSA-N 370.861 4.888 0 1 FJAF O=[S@](c1cccc(F)c1)c1c(O)c(-c2cccnc2)cc2ccccc12 299839917 TYZCWWNXNCXHAV-AREMUKBSSA-N 363.413 4.913 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2cc(Cl)cc(Cl)c2[nH]1 587041489 WAOULKYWKBQBPT-NSHDSACASA-N 374.293 4.852 0 1 FJAF Nc1ccccc1-c1ccc(-c2nc3c(Br)nccc3[nH]2)cc1 587250942 TYKTZCPVEZREFZ-UHFFFAOYSA-N 365.234 4.637 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(F)ccc(Cl)c1F)CC2=O 587465984 INGTYPCKBOIFEB-OAHLLOKOSA-N 352.764 4.983 0 1 FJAF COc1ccc(CC[C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587524775 MWPGXHKLLMRPTG-HSZRJFAPSA-N 350.458 4.931 0 1 FJAF Cn1ccc2c([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cccc21 587574454 AZALMLHGNNNKFY-NZQKXSOJSA-N 371.392 4.587 0 1 FJAF CCOC(=O)c1[nH]c2c(C)cc(Cl)cc2c1C(=O)c1ccc(F)cc1 587624923 WXMGOIKWPGDBHK-UHFFFAOYSA-N 359.784 4.677 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2c(F)ccc(F)c2F)N1 587717460 LAHQFKODQZUXHU-HYORBCNSSA-N 374.175 4.629 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](c2ccccc2)(C(F)F)N1 587720270 SHUNUHLXCXFWQC-BTDLBPIBSA-N 370.212 4.631 0 1 FJAF COc1cc(C2(c3nc4cccc(Br)c4[nH]3)CC2)ccc1C 587924987 IFIWWGJKRDCQBO-UHFFFAOYSA-N 357.251 4.722 0 1 FJAF COc1ccc2c(c1OC)[C@@H](c1cnc(C3CCCC3)s1)N(C)[C@H](C)C2 962639222 VNQRZAITEUHEHY-BFUOFWGJSA-N 372.534 4.784 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(CC(C)=O)c1ccccc1OC 963235442 WMMYCCDYNWVRSV-GAJHUEQPSA-N 351.490 4.575 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]21CCOc2ccc(C(C)(C)C)cc21 963257130 HRTZSHLCYWAIPH-QFIPXVFZSA-N 371.908 4.818 0 1 FJAF COC1=CC2=NC1=Cc1ccc([nH]1)[C@@H](O)CCCCCCCc1ccc2[nH]1 2356557812 CJNWTZNDFHFRKJ-NRFANRHFSA-N 365.477 4.647 0 1 FJAF CO[C@@H]1C=C(O)[C@@H]2[C@H]3C[C@H]4CC[C@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@]4(C)[C@@]21O 2356768731 ULSKENBXGBZRRW-NYGBXQALSA-N 372.549 4.991 0 1 FJAF CCOc1ccccc1-c1onc(C(C)(C)C)c1C(=O)N[C@H](C)C(C)C 775932 ZCCIFSXQBRULEJ-CQSZACIVSA-N 358.482 4.812 0 1 FJAF COc1ccccc1CNc1ncncc1-c1ccccc1C(F)(F)F 4239337 UDCJGRQIVMXPHK-UHFFFAOYSA-N 359.351 4.783 0 1 FJAF CCOc1ccc2nc(N)nc(N)c2c1Sc1ccc(C(C)(C)C)cc1 5884519 RFTIUPXCCSMUID-UHFFFAOYSA-N 368.506 4.642 0 1 FJAF CC[C@@H](C)C(=O)c1c(O)c(CC=C(C)C)c2c3c(cc(=O)oc13)C[C@@H](C)O2 13461815 DJCPAKRYTYQGOM-CHWSQXEVSA-N 370.445 4.560 0 1 FJAF biogenic O[C@H]1CCCN(CCCCOc2ccccc2/C=C/c2cccc(F)c2)C1 27711039 MUGIIFHWFNUWQQ-GNNUASRNSA-N 369.480 4.612 0 1 FJAF Clc1ccccc1Cn1ncc2c(SCc3ccccc3)ncnc21 28894536 WSMLMPRQKOYTPV-UHFFFAOYSA-N 366.877 4.820 0 1 FJAF Cn1cc(C(=O)C(=O)Nc2cccc(Oc3ccccc3)c2)c2ccccc21 45253117 GDQVBCOLDRUVJM-UHFFFAOYSA-N 370.408 4.792 0 1 FJAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(Cc5ccccc5)C[C@@H]3N4)cc2)c1 100106075 KCBYWTQKDANTQX-QEIWAGNOSA-N 354.497 4.602 0 1 FJAF C[C@H](NC(=O)Nc1nc(-c2ccncc2)cs1)c1cccc(Cl)c1 166026693 ZZOWQPSBJUXHCA-NSHDSACASA-N 358.854 4.741 0 1 FJAF COc1ccc(CC(=O)Nc2nc3ccc(C(F)(F)F)cc3s2)cc1 169309137 HNMDQVLCDNBURA-UHFFFAOYSA-N 366.364 4.505 0 1 FJAF Cc1cc(/C=C/C(=O)NCCn2c(C)cc3ccccc32)cc(C)c1F 169347550 ACJLELIGJGCTIM-CMDGGOBGSA-N 350.437 4.535 0 1 FJAF O=NCc1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 169721085 ROCKFCNIHUESHH-QGZVFWFLSA-N 360.413 4.501 0 1 FJAF Nc1ccc(-c2ccc3nc([C@H]4C[C@]45CCc4ccccc45)[nH]c3c2)cc1N 586885737 CVCGECLLEWGSSE-KOSHJBKYSA-N 366.468 4.766 0 1 FJAF CCN(CC)[C@@H]1CCCc2c1nc1ccc(O)c3c1c2-c1ccccc1C3=O 586988722 ORAJDMGIMWOKPY-GOSISDBHSA-N 372.468 4.871 0 1 FJAF COc1cc(-c2ccc(C(=O)O)c(F)c2)cc(-c2nc3ccccc3[nH]2)c1 587147196 KTSKYMUBLDRLMR-UHFFFAOYSA-N 362.360 4.743 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)ccc(OC)c1F)CC2=O 587466791 ODCJLKMOQDIUBN-MRXNPFEDSA-N 364.800 4.852 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(SC(C)=O)cc1)CC2=O 587492247 NXAYGKWXVAYFMF-IBGZPJMESA-N 356.443 4.690 0 1 FJAF Cn1ncc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1-c1ccccc1 587517268 KCZXAEQLXMQDDH-NRFANRHFSA-N 358.441 4.672 0 1 FJAF CCc1nnc(-c2ccc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)o1 587523846 HTJZJJQJURCCCY-HXUWFJFHSA-N 374.440 4.884 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1c1ccccc1C1CC1 587603182 NKGIDAAUHJJVFB-REWPJTCUSA-N 358.393 4.973 0 1 FJAF COC(=O)Cc1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587783501 TXVBSXBIWUDLOY-UHFFFAOYSA-N 368.742 4.618 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3ccc(C)cc3)nc2C)N1 962946325 LLBTZUOAGZVOAK-BXKMTCNYSA-N 370.500 4.984 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@H]2c1cccc(-c2cccnc2)c1 963260803 ZRRJUSRMCFPNDF-NRFANRHFSA-N 350.849 4.646 0 1 FJAF CCCCNC(=O)Nc1ccc(-c2nonc2-c2ccc(C)cc2)cc1 1772607783 JDFXIPAKQBAMPP-UHFFFAOYSA-N 350.422 4.634 0 1 FJAF COc1ccc(C[C@H]2COC(=O)[C@@H]2Cc2ccc(Cl)c(Cl)c2)cc1 1772648645 JAKWUQWSEDAARV-GOEBONIOSA-N 365.256 4.576 0 1 FJAF CC[C@@H](Cc1cc(C)nc2c1c(C(C)C)nn2-c1ccc(F)cc1)C(=O)O 1857542807 XDYPOKBWHYOEAG-AWEZNQCLSA-N 369.440 4.645 0 1 FJAF CC(C)CC(C/C=C1/C[C@@](CO)(COCC(C)(C)C)OC1=O)CC(C)C 13672585 OEXHUZRSQNHBKQ-LBAIMIFDSA-N 368.558 4.752 0 1 FJAF COc1cccc2c1CCC[C@H]2CN(C)CCc1ccc2ncccc2c1 13761450 FRLJZMNQTHYBIN-FQEVSTJZSA-N 360.501 4.838 0 1 FJAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@@H](C)CCC[C@@H]12 29220200 ZAWHOLMDNIHGEJ-ZWRVKCOLSA-N 351.446 4.610 0 1 FJAF CN1CCN(c2nc3ccccc3c(Cl)c2Sc2ccccc2)CC1 36216439 IKVYRMAXMYKCCI-UHFFFAOYSA-N 369.921 4.791 0 1 FJAF CC[C@H](C)Cn1c(C2CC2)nc2c(NCc3cccc(F)c3)ncnc21 82184732 HSJXZTXGWKTEQX-ZDUSSCGKSA-N 353.445 4.501 0 1 FJAF CC(C)NC(=O)N1CCc2sccc2[C@H]1c1ccc(C(F)(F)F)cc1 84671159 JRKVBRANZVWTGC-MRXNPFEDSA-N 368.424 4.832 0 1 FJAF O=C(Nc1cc(-c2ccccc2)ccc1O)c1ccc(CNCC2CC2)cc1 141342838 IIOKBRJBLVZCPU-UHFFFAOYSA-N 372.468 4.811 0 1 FJAF COc1cccc(Nc2nc3cc(C(=O)O)ccc3c3sccc23)c1 167754772 YNOJEXMKYAHWJN-UHFFFAOYSA-N 350.399 4.900 0 1 FJAF COc1ccc(C2=NN(c3nc(O)cs3)[C@H](c3ccc(C)cc3)C2)cc1 169726259 OKVRNRWIIFDYEJ-SFHVURJKSA-N 365.458 4.521 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3nc[nH]c3c2)n1 205846081 CAHGGEAAFFXFGH-GOSISDBHSA-N 355.445 4.818 0 1 FJAF CC(=O)O[C@@]1(C)CC[C@H]2O[C@@H]1CC/C(C)=C/C=C(/C(C)C)CC[C@]2(C)O 238789670 DVOLXISDJJZOLW-HDJUXCIKSA-N 364.526 4.710 0 1 FJAF N[C@@H]1C[C@@]2(N3CCCCC3)C[C@H](c3ccccc3)[C@H]1[C@H](c1ccccc1)C2 299808774 RYSREWLCUBCLSN-MBWGTIHESA-N 360.545 4.920 0 1 FJAF Fc1cccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c12 587017659 NIPJIKXAJCXNTG-UHFFFAOYSA-N 361.405 4.539 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)cs1 587020445 AWTAAYGPBNOUIS-UHFFFAOYSA-N 352.316 4.546 0 1 FJAF Cc1cc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2cc1F 587029000 DZASVGQXCRTNEC-UHFFFAOYSA-N 363.421 4.532 0 1 FJAF Cc1nc(O)sc1-c1cc2c3c(ccc(C)c3n1)C(=O)c1ccccc1-2 587102448 SZDYAQAMAMIJTK-UHFFFAOYSA-N 358.422 4.892 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(C4(C(F)(F)F)CC4)cc1)[C@@H](C2)C3=O 587423421 YGRWOONNWSIOOV-HNAYVOBHSA-N 374.358 4.778 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](CCc2ccc(O)cc2)N1 587835815 YJUKPOORYWIRGA-ZBEGNZNMSA-N 364.258 4.502 0 1 FJAF CC[C@@]1(Cc2nc3cnc4ccccc4c3[nH]2)CC(=O)c2ccccc2C1 587962696 ZBLXNNXGIGVIEW-QHCPKHFHSA-N 355.441 4.879 0 1 FJAF O=C1CCC(c2ccccc2)(c2nc3c(Cl)cnc(Cl)c3[nH]2)CC1 587970626 LSYYYQWEJBLJRF-UHFFFAOYSA-N 360.244 4.694 0 1 FJAF CSc1ccc(-n2c(/C=C/c3ccco3)nc3ccccc3c2=O)cc1 653883122 PKCLYABQEYPYQY-JLHYYAGUSA-N 360.438 4.871 0 1 FJAF COc1ccc2c([C@@]3(C)c4c(F)cccc4C[C@H]4CCCN43)c[nH]c2c1 963088589 FSLCOXGJXJWJHD-QRQCRPRQSA-N 350.437 4.600 0 1 FJAF COc1ccc([C@@]2(C(F)(F)F)c3c(F)cccc3C[C@H]3CCCN32)cc1 963108422 PDZZOHHJUAJLNM-BEFAXECRSA-N 365.370 4.661 0 1 FJAF Cc1cncc(-c2nc(NC3Cc4ccccc4C3)c3ccccc3n2)c1 1772576406 SKNLOHJCCVGXLC-UHFFFAOYSA-N 352.441 4.580 0 1 FJAF C[C@@H]1CCCN1CCc1cc2cc(C(=O)c3ccccc3F)ccc2o1 13606753 WRJKIXYAASDVFO-OAHLLOKOSA-N 351.421 4.830 0 1 FJAF CN1CCN([C@H]2C[C@H](c3ccc(F)cc3)c3ccc(F)cc32)CC1(C)C 22574303 QMXMQVFBAZCMSE-CTNGQTDRSA-N 356.460 4.568 0 1 FJAF Cc1ccc(Cl)c(NC(=O)N[C@H]2COC(C)(C)O[C@H]2c2ccccc2)c1 28362725 WMRYWEHXLWALKB-ROUUACIJSA-N 374.868 4.663 0 1 FJAF O=[S@@](c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(F)(F)C(F)F 40504952 UTXLMQNWWBGVDZ-RUZDIDTESA-N 368.355 4.709 0 1 FJAF Cn1c(CN2CCC(c3ccc(Cl)cc3F)CC2)nc2ccccc21 71317497 ZOSDMAHANBIICB-UHFFFAOYSA-N 357.860 4.745 0 1 FJAF CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)CCC3=O)CC1 84713031 HDWCHQSQXHCARG-UHFFFAOYSA-N 372.509 4.655 0 1 FJAF COc1cccc2c1C(=O)c1ccc(Nc3ccc(F)cc3F)cc1OC2 103292943 RCGRFQBYTXJAFH-UHFFFAOYSA-N 367.351 4.840 0 1 FJAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(-c3cncnc3)cc(Cl)cc21 143496411 MOIHNYROPFWTBP-KRWDZBQOSA-N 362.738 4.576 0 1 FJAF Cc1nc(-c2ccc3c(c2)c(C#N)cn3Cc2ccccc2)sc1C(=O)O 145077415 NESGPGATJKMLMK-UHFFFAOYSA-N 373.437 4.691 0 1 FJAF COc1cc(OC)c2[nH]c(-c3nc(-c4ccc(C)cc4)sc3C)nc2c1 587012362 IQDXUETVJUXRAH-UHFFFAOYSA-N 365.458 4.987 0 1 FJAF Cc1cc2nc(-c3c[nH]c(=N)nc3-c3ccccc3Cl)[nH]c2cc1Cl 587060955 QZROWMKKUYTJJP-UHFFFAOYSA-N 370.243 4.715 0 1 FJAF CSc1ccc2nc([C@@H](N)Cc3c[nH]c4cc(Cl)ccc34)[nH]c2c1 587081224 YCUAVSLOWKCCNK-AWEZNQCLSA-N 356.882 4.662 0 1 FJAF Fc1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1Br 587084803 TWWGEFMTBXAJMV-UHFFFAOYSA-N 366.621 4.593 0 1 FJAF O=C(O)c1cc2nc(-c3cccc(-c4ccccc4F)c3)[nH]c2cc1F 587153514 SYNQMLRSRJPYGN-UHFFFAOYSA-N 350.324 4.873 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)cc(C(F)(F)F)c1)O2 587382035 MQLOYXCQGJGSHO-QGZVFWFLSA-N 353.315 4.616 0 1 FJAF CC[C@@H](C)CN(C)c1ccc(F)cc1[C@@H]1CC(=O)c2cc(C)cc(N)c2O1 587386947 YGJRQJMIEOYHRQ-ASSNKEHSSA-N 370.468 4.905 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(O)[nH]c3ccc(Cl)cc13)CC2=O 587459388 CXXPLJVPMPVUIL-QGZVFWFLSA-N 371.820 4.892 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1nc(C(F)(F)F)cs1)CC2=O 587463431 ADOACWORGLHVDN-LBPRGKRZSA-N 357.353 4.527 0 1 FJAF Cc1c([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]c1Br 587498719 PQVFKYDIOFHZBE-LJQANCHMSA-N 374.278 4.845 0 1 FJAF COc1c(F)cc(F)cc1CC[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587504301 ISUOKJIOPIVSFS-MRXNPFEDSA-N 372.411 4.819 0 1 FJAF O=C1C[C@@]2(CCCOc3ccc(F)cc32)Oc2c1ccc1c2CCCC1 587508225 OQCCYXXGHUESKI-JOCHJYFZSA-N 352.405 4.738 0 1 FJAF C[C@@H](c1ccccc1)N1CC[C@@]2(CC(=O)c3ccc4c(c3O2)CCCC4)C1 587515856 WLJCPTOUOSUJEI-BXKMTCNYSA-N 361.485 4.736 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc2cc[nH]c2c1 587589784 QTFRNANZWYJKIB-SIKLNZKXSA-N 357.365 4.576 0 1 FJAF C[C@H](Cc1ccccc1)[C@H]1Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587603228 ODRBVYWOWNXTRW-ZNRXUEPQSA-N 360.409 4.601 0 1 FJAF CC[C@@]12CC[C@@H](C1)C[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604296 SEKDQXSGPTUCKT-XLIQEIGGSA-N 350.414 4.693 0 1 FJAF COc1cc2c(cc1OC)[C@H](c1c(Cl)cccc1Cl)N(C)[C@H](C)C2 962616334 ACDKRRWKHHUMNC-NSPYISDASA-N 366.288 4.976 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](CCCC2OCC(C)(C)CO2)N1 962938909 ANJNPFMCOOAGFE-KXBFYZLASA-N 356.510 4.703 0 1 FJAF COc1ccc(Nc2nc(C)nc3c(Cc4ccccc4)cn(C)c23)cc1 1772613443 WGRLOIOBISATRO-UHFFFAOYSA-N 358.445 4.620 0 1 FJAF O=C(Nc1ccc2sc(-c3cccc(F)c3F)nc2c1)N1CCCC1 1772641699 LQRDKHWETZIDOV-UHFFFAOYSA-N 359.401 4.869 0 1 FJAF CC(C)=CCc1ccc(/C=C/C(=O)O)cc1OC(=O)CCc1ccccc1 1857557363 ZDAFNOSGSMUQEY-GXDHUFHOSA-N 364.441 4.831 0 1 FJAF O=C1Nc2ccc(Nc3ccc(F)cc3)cc2/C1=C\c1ccc2c(c1)OCO2 1857565885 FYAJQEKYTWYQNQ-GIJQJNRQSA-N 374.371 4.791 0 1 FJAF Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2c(C)cc(C)cc2C)cc1 1346995 IXKLAYOAYRZBMP-IBGZPJMESA-N 365.477 4.555 0 3 FJAF COc1ccccc1CNc1cc(-c2ccccc2C(F)(F)F)ncn1 4239265 SYHGSAMYWDHRJC-UHFFFAOYSA-N 359.351 4.783 0 1 FJAF CCO[C@H](c1ccccc1)c1ccc2c(c1)CN(Cc1ccoc1)CCO2 12163699 PLQNAZBKFXSMLW-HSZRJFAPSA-N 363.457 4.800 0 1 FJAF CC(C)(C)NC(=O)N1Cc2c(-c3ccc(F)cc3)ncn2-c2ccccc21 13758909 YSKPMFRUBSLJGM-UHFFFAOYSA-N 364.424 4.507 0 1 FJAF CCC(CC)Nc1cc(C)nc2c(-c3ccc(OC)cc3OC)c(C)nn12 27192819 BDJUMIOYTRBNMQ-UHFFFAOYSA-N 368.481 4.631 0 1 FJAF C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCF)C[C@@H]12 28655081 ULHSROFUABCQQV-GZNZXPAWSA-N 352.534 4.727 0 1 FJAF C[C@H](c1ccccc1)n1cccc1C(=O)NCc1c(F)cccc1Cl 29048219 YHGXVFKHWXRDGR-CQSZACIVSA-N 356.828 4.820 0 1 FJAF C[C@H](CNC(=O)Nc1ccc(O)cc1)c1cccc(C(=O)c2ccccc2)c1 43020948 IWCUUVRJFDLHFX-MRXNPFEDSA-N 374.440 4.548 0 1 FJAF COc1ccc(Oc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1 45354959 CGKZUTJROBZWDV-UHFFFAOYSA-N 357.413 4.920 0 1 FJAF CCCOCCCNc1ncc(-c2nc(C)c(C)s2)c(-c2ccco2)n1 82165270 KRQUSKIIOLMALC-UHFFFAOYSA-N 372.494 4.706 0 1 FJAF Cc1cnc(-c2cnc(NCc3ccccc3)nc2-c2ccccc2F)o1 82175979 VSUPUYQDEGIUQH-UHFFFAOYSA-N 360.392 4.858 0 1 FJAF Nc1ncc(-c2cscn2)c2cc(-c3csc4cnccc34)oc12 96282227 ZSKVIBRAZAUMMI-UHFFFAOYSA-N 350.428 4.810 0 1 FJAF CC(=O)OC[C@]1(C)CCC[C@]2(C)[C@H]1CC[C@@]13C[C@H](C(=O)O)[C@H](CC[C@@H]21)C3 100777054 ZKXLEDOCSSUHKY-GJLUKNDPSA-N 362.510 4.663 0 1 FJAF endogenous,in-man NCc1ccc2cc(-c3ccc(-c4cc5ccc(CN)cc5[nH]4)cc3)[nH]c2c1 103251458 XQJFDAMRKWVELS-UHFFFAOYSA-N 366.468 4.901 0 1 FJAF Cc1ccc2ccccc2c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1 586884791 YUZDFYOGOYORIT-UHFFFAOYSA-N 357.457 4.524 0 1 FJAF O=C1c2ccoc2CC[C@@H]1Cc1nc2cccc(OCc3ccccc3)c2[nH]1 586906905 HDDIVYNLFKKTAV-MRXNPFEDSA-N 372.424 4.723 0 1 FJAF COc1cccc(-c2ccc(-c3nc4cncc(OC)c4[nH]3)c(Cl)c2)c1 587051194 AGTNOMGWRWALBD-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF Cc1noc([C@@H]2CCc3c2nc2c(C)ccc4c2c3-c2ccccc2C4=O)n1 587097535 QIMCNTQBZWUECM-QGZVFWFLSA-N 367.408 4.524 0 1 FJAF Cc1c(Br)ccc2nc(-c3cn(C)cc3C(F)(F)F)[nH]c12 587111907 IQROZMDVDMIPLD-UHFFFAOYSA-N 358.161 4.658 0 1 FJAF COC(=O)c1ccc2nc(-c3ccccc3-c3ccc(F)c(F)c3)[nH]c2c1 587145830 SMFVFUSHSOGWRP-UHFFFAOYSA-N 364.351 4.962 0 1 FJAF C[C@H](c1ccc(N(C)C)cc1)c1nc2cc(F)cc(Br)c2[nH]1 587196332 STAUTEZTLRQOCL-SNVBAGLBSA-N 362.246 4.682 0 1 FJAF C[C@H](C(=O)O)c1ccc(C[C@H]2CCc3c2nc2cccc4c2c3CC4)cc1 587216100 ZLTWNBPNYSDOIG-KBXCAEBGSA-N 357.453 4.794 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(Cl)cc(C(F)(F)F)c1)O2 587383262 VLHUJAZTXXZMTN-OAHLLOKOSA-N 355.743 4.956 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCN([C@H](C)c3ccccc3)[C@H](C)C1)O2 587393822 NLGYNZKPOLYDMG-QZMQVMSPSA-N 364.489 4.527 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cccn1-c1cccc(Cl)c1)[C@@H](C2)C3=O 587417264 BBQKVDIJEQCRTC-HRAATJIYSA-N 365.816 4.628 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(C[C@@H](c4ccccc4)c4ccccc41)[C@@H](C2)C3=O 587446331 CBLWIGHNHZCIIE-QYXIYQDXSA-N 368.432 4.874 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1cccc(F)c1)CC2=O 587469147 WYKMTLCASCVFJO-OAQYLSRUSA-N 365.404 4.981 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cc3cccc(OC)c3n1C)CC2=O 587474444 FAPBWPXLPFJSFG-FQEVSTJZSA-N 365.429 4.552 0 1 FJAF Cc1ccn2c(C)c([C@]3(C)CC(=O)c4ccc5c(c4O3)CCCC5)nc2c1 587514092 GJYWGTBHDTWEGU-QHCPKHFHSA-N 360.457 4.711 0 1 FJAF CCOCc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ccc1OC 587525101 PTTIPJGXOMJVCO-QFIPXVFZSA-N 366.457 4.817 0 1 FJAF CC[C@@H](C)Sc1ncc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cn1 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YINYQZVGGGDYJE-CMDGGOBGSA-N 350.377 4.717 0 1 FJAF C[C@@H](c1nc2c(Br)ccnc2[nH]1)c1ccccc1C(F)(F)F 587098593 ULNWVWPLBNGRRC-MRVPVSSYSA-N 370.172 4.891 0 1 FJAF Fc1cccc2nc(CCn3nc(C(F)(F)F)c(Cl)c3C3CC3)[nH]c12 587116647 KECDRRKWGVQLFM-UHFFFAOYSA-N 372.753 4.691 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](c1nc2ccc3ncccc3c2[nH]1)C1CCCC1 587227262 XSTYSJIJBACUSH-QGZVFWFLSA-N 366.465 4.867 0 1 FJAF COc1ccc([C@]2(C(C)(C)C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c(F)c1 587426165 LZUZXFFWKCOXKO-ZHRRBRCNSA-N 370.420 4.532 0 1 FJAF COc1cc2c3c(c1)O[C@]1(CCCc4c1sc1ccccc41)[C@@H](C2)C3=O 587452341 MBNYFCDPDHNWHF-KSFYIVLOSA-N 362.450 4.889 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccccn1)(c1cccs1)CC2=O 587492282 BNZYYGNTQDBQCP-OAQYLSRUSA-N 365.454 4.710 0 1 FJAF Cc1ccncc1[C@@]1(c2cccnc2)CC(=O)c2ccc3c(c2O1)CCCC3 587515536 PKUDSISOQGZJAO-DEOSSOPVSA-N 370.452 4.573 0 1 FJAF COc1cc2c(c([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c1)O[C@@H](C)C2 587534899 GTOCDCXOSLWXSU-YEJXKQKISA-N 364.441 4.604 0 1 FJAF CCn1ncc(C(=O)c2c(C(F)(F)F)[nH]c3ccc(F)c(Cl)c23)c1C 587628751 OVHVKCSQFMXHSL-UHFFFAOYSA-N 373.737 4.735 0 1 FJAF COC(=O)c1[nH]c2cccc(F)c2c1C(=O)c1ccc(Cl)cc1Cl 587632865 LIHLZYIUQNOYMF-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2ccc3[nH]ccc3c2)N1 587803433 PXIRXMQYQXWUDE-NSPYISDASA-N 373.269 4.867 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](C2(c3ccccc3)CC2)N1 587820708 QEUINDGRBBVZIT-XIKOKIGWSA-N 360.270 4.895 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C[C@H]3C[C@@H]2[C@H]2CCC[C@@H]23)N1 587825754 FDQZCMPVHSLPNA-IFHYMTOVSA-N 364.302 4.774 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2c(F)c(F)c(F)c(F)c2[nH]1 587926033 GNICAVWLKURFFL-SECBINFHSA-N 368.330 4.678 0 1 FJAF COc1ccc([C@H](c2ccccc2)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587937555 PGDHKAPDFLQICZ-NRFANRHFSA-N 354.413 4.628 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cn(-c3ccc(C)cc3)nc2C)N1 962946328 LLBTZUOAGZVOAK-OSPHWJPCSA-N 370.500 4.984 0 1 FJAF Cc1cc(OCCCn2ccc3ccc(OCC(=O)O)cc32)ccc1Cl 1772610434 IFSSMHUCTCTMHR-UHFFFAOYSA-N 373.836 4.536 0 1 FJAF CC[P@@](=O)(OC)c1ccc2nc(-c3ccc4cccnc4c3)oc2c1 1911574599 IAPZAHAHIAYSFI-RUZDIDTESA-N 352.330 4.613 0 1 FJAF COCc1cccc(-c2cccc3c2COCC(=O)N3Cc2ccccc2)c1 206056042 RDGFUSRRDDEXJE-UHFFFAOYSA-N 373.452 4.563 0 3 FJAF Cc1ccc(NC(=O)Nc2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 28016209 WNMXUZNZZBXOEE-UHFFFAOYSA-N 370.412 4.746 0 1 FJAF CCOc1ccccc1CCCNC(=O)Nc1c(CC)cccc1CC 40980046 YSMUIKUMVKUDLS-UHFFFAOYSA-N 354.494 4.964 0 1 FJAF O=C(NCCCCN1CCCCC1)Nc1ccc(-c2ccccc2F)cc1 49037239 OXIAXPOOKVTTDN-UHFFFAOYSA-N 369.484 4.880 0 1 FJAF Clc1ccc(-c2nnc(Cc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 71331094 BNBGGQRHYJEUIO-UHFFFAOYSA-N 373.199 4.684 0 1 FJAF CC(C)(N)c1nc2cc(C(F)(F)F)ccc2n1Cc1cccc(Cl)c1 72118680 QXKCXHOSKFXFSK-UHFFFAOYSA-N 367.802 4.951 0 1 FJAF CC[C@@H](C)N(C)C(=O)c1nc(-c2ccccc2Cl)c2ccccc2n1 84688813 ASFLYNMYGAYKON-CYBMUJFWSA-N 353.853 4.821 0 1 FJAF COC(=O)C(C)(C)[C@@H](c1ccc(Nc2ccc(C)cc2)cc1)n1ccnc1 95558686 DZTMMWMGGGEBAA-HXUWFJFHSA-N 363.461 4.724 0 1 FJAF CC(C)(C)c1ccc(C(=O)Nc2cn3cc(-n4cccc4)ccc3n2)cc1 95562139 CCKSRTCMHOQKBE-UHFFFAOYSA-N 358.445 4.675 0 1 FJAF Cc1ccc(-c2c(C)nn3c(NCc4cccnc4)c(C)c(C)nc23)cc1 95564188 RZIFBMOCKPIWOS-UHFFFAOYSA-N 357.461 4.637 0 1 FJAF Cc1ccccc1N1C(=O)CS[C@H]1c1cc2ccccc2nc1S 103194796 MMFZNXDLILSICK-IBGZPJMESA-N 352.484 4.611 0 1 FJAF O=C(CCCCOc1ccccc1OCc1ccccc1)C(F)(F)F 115390135 QRENZRHKAATRNC-UHFFFAOYSA-N 352.352 4.946 0 1 FJAF Cc1c(/C=C/CCCNC(=O)OC(C)(C)C)c(O)c2ccccc2c1O 169716701 BKXHFVQVQQQYGS-UXBLZVDNSA-N 357.450 4.878 0 1 FJAF O[C@@H]1C[C@@H](c2nc3cc(C(F)(F)F)cc(Cl)c3[nH]2)c2ccccc21 586902197 JWEZSBICXIJNHH-BXUZGUMPSA-N 352.743 4.804 0 1 FJAF Fc1ccc2nc(COc3ccc(Cl)cc3Br)[nH]c2c1 586977649 NZGJTAYALLXBKW-UHFFFAOYSA-N 355.594 4.697 0 1 FJAF FC(F)(F)c1ccc(-c2nc3c(Cl)ncnc3[nH]2)c(C(F)(F)F)c1 587095411 XYRIQIYJJPAXMH-UHFFFAOYSA-N 366.652 4.711 0 1 FJAF COc1ccc(Cl)c(-c2ccc(-c3nc4c(N)ccnc4[nH]3)cc2F)c1 587143677 VYZWWYKVPKBIBN-UHFFFAOYSA-N 368.799 4.675 0 1 FJAF CC(C)Oc1ccc2nc([C@@H]3CCCC[C@H]3NC(=O)OC(C)(C)C)[nH]c2c1 587236061 XJVRUIWQRFZOOM-HZPDHXFCSA-N 373.497 4.901 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc4cc(C)ccc4nc1Cl)[C@@H](C2)C3=O 587422795 UPVGSRSPIKAWFB-XOBRGWDASA-N 365.816 4.694 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(c3cccc(C)c3)CC1)CC2=O 587477985 YSPJVAXIBLHYAQ-UHFFFAOYSA-N 365.473 4.658 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccn3)s1)CC2=O 587493820 GTWMQWVGYYRZFF-QGZVFWFLSA-N 366.442 4.570 0 1 FJAF Cc1ccc(OC(F)F)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)n1 587510119 YYNJNXBUJOFTAY-KRWDZBQOSA-N 359.372 4.577 0 1 FJAF CN(C)Cc1csc([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c1 587531056 IXUNGWQTJDXAOP-NRFANRHFSA-N 355.503 4.569 0 1 FJAF C[C@@]1(c2ccc(F)c(F)c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587554734 FCSOJDJWAGMQFK-RXVVDRJESA-N 368.335 4.547 0 1 FJAF CSc1cccc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615909 ZXGKPJVQZZSKFD-RXVVDRJESA-N 364.422 4.817 0 1 FJAF C[C@@H](CC1CCOCC1)[C@H]1N[C@H](C)Cc2cc(Br)c(F)cc21 587834254 KNNNZLIFZUFQNR-VNBZBWLYSA-N 370.306 4.616 0 1 FJAF CN(C/C=C/c1ccc(Cl)cc1Cl)Cc1ccc2c(c1)OCO2 1857537136 VLIRCRDBSQUJQZ-NSCUHMNNSA-N 350.245 4.867 0 1 FJAF Cc1cc2c(cc1Br)[C@@]1(C)CC[C@@](CBr)(O2)[C@@H]1C 5431915 AWQMSPLOQAUGPT-ONERCXAPSA-N 374.116 4.971 0 1 FJAF biogenic Fc1cc(-c2cc(-c3ccc4c(c3)OCO4)n[nH]2)c(Cl)cc1Cl 5800988 ATSCONPRNWXNPY-UHFFFAOYSA-N 351.164 4.918 0 1 FJAF Nc1nc(NCc2ccccc2)cc(SCc2ccc(Cl)cc2)n1 27734990 PGDLJWBCWPCXOW-UHFFFAOYSA-N 356.882 4.617 0 1 FJAF COc1ccc(Cl)c(Nc2nc(-c3c(C)nc4ncccn34)cs2)c1 40395270 SZPFOWZSUNRZKV-UHFFFAOYSA-N 371.853 4.567 0 1 FJAF Cc1cnc(-c2cnc(N3C[C@@H](C)C[C@@H](C)C3)nc2-c2ccccc2C)o1 82177457 HXEKLCFRSJKFKU-GASCZTMLSA-N 362.477 4.898 0 1 FJAF COc1ccc2cc(Cn3ccnc3)n(-c3ccc(C(F)(F)F)cc3)c2c1 95587027 GODKECLACFPDEO-UHFFFAOYSA-N 371.362 4.903 0 1 FJAF Cn1cc(-c2ccc(Cn3c4ccccc4c4cccnc43)c(F)c2)cn1 95596817 GCPDIZXHJXOSOV-UHFFFAOYSA-N 356.404 4.777 0 1 FJAF CC[C@@H](C)Sc1nc([C@H](C)c2c(F)cccc2Cl)c(C)c(=O)[nH]1 169352200 DMGVYRHFDSPCAD-NXEZZACHSA-N 354.878 4.913 0 1 FJAF Cc1cc(NCc2cccc(Cl)c2Cl)c2cccc(C(N)=O)c2n1 473094951 WWQZYHBACWHPRN-UHFFFAOYSA-N 360.244 4.561 0 1 FJAF COc1cc(OC)c2[nH]c(-c3cc(Br)ccc3Cl)nc2c1 586980285 NMUBPJRZOUMAHI-UHFFFAOYSA-N 367.630 4.663 0 1 FJAF Cc1nc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)c(C)s1 586994164 OBGKPROAUAHEMY-UHFFFAOYSA-N 358.422 4.892 0 1 FJAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2cc1Cl 587108019 GFUGAUXSRRIFRT-UHFFFAOYSA-N 370.714 4.609 0 1 FJAF Nc1ccc(-c2ccc3nc(Cc4c[nH]c5ccc(F)cc45)[nH]c3c2)cc1N 587174462 JZZNAILUOHCANJ-UHFFFAOYSA-N 371.419 4.606 0 1 FJAF Ic1cccc(-c2cc3c4c(cccc4n2)CC3)c1 587212055 AZSCNTVFBBPKIP-UHFFFAOYSA-N 357.194 4.605 0 1 FJAF N[C@@H](Cc1nc2cc(Cl)nc(Cl)c2[nH]1)c1cccc2ccccc12 587259187 RGKQPEBGVDLKFV-ZDUSSCGKSA-N 357.244 4.660 0 1 FJAF COc1cccc(C[C@@]2(c3ccccc3)CC(=O)c3cc(C)cc(N)c3O2)c1 587404379 XEBWSTBCMKFFJZ-DEOSSOPVSA-N 373.452 4.689 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1cccs1)(c1cccs1)O2 587411254 CHWPWGMTOLCZGL-IBGZPJMESA-N 355.484 4.804 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCOc4c(C(C)C)cccc41)[C@@H](C2)C3=O 587454040 RDEQLIFKYBJZQI-FDDCHVKYSA-N 364.441 4.634 0 1 FJAF C[C@@H](O)[C@@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532338 PQJWCSOWXJNGEX-NSPYISDASA-N 362.878 4.522 0 1 FJAF CC1=CCC[C@H](C)[C@@H]1[C@@H]1Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603988 TUHOTLWSXDOZKU-AUZXGJTBSA-N 350.414 4.715 0 1 FJAF COC1([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)CCCCC1 587814006 XLOSFVCSMLVOBD-MEDUHNTESA-N 356.279 4.513 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2CCc3ccccc32)N1 587822557 LFZVKFDRWNNBPW-VWCVUJCZSA-N 360.270 4.894 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc3ccccc3o2)N1 587835067 UOBWGYRKZCBMIB-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF Cc1cccc2c([C@@H]3NCCc4c3c(C(C)C)nn4C)c(C(C)(C)C)[nH]c12 962916343 JQDMTGVXRHXQJC-NRFANRHFSA-N 364.537 4.866 0 1 FJAF CC(C)C[C@H](C)[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962922232 ITRMKOMSBYAJDQ-SZFUDVHCSA-N 369.461 4.507 0 1 FJAF Cc1ccnc2c1CCN[C@]2(C)c1ccc2noc(-c3cccc(F)c3)c2c1 963068671 CCVRTJCSDHVBHE-HSZRJFAPSA-N 373.431 4.747 0 1 FJAF CC[C@@H]1C(=O)Nc2ccc(-c3c(C)noc3C)cc2N1Cc1ccccc1 1857557406 FTUXRCDIARSCJM-LJQANCHMSA-N 361.445 4.696 0 1 FJAF Cn1c(-c2cccc(C(F)(F)F)c2)nc2cnc(Nc3ccccn3)cc21 1857762701 XUOXVIVJYTYXIC-UHFFFAOYSA-N 369.350 4.793 0 1 FJAF CN(Cc1ccccc1)c1nn2c(-c3ccccc3)nnc2c2ccccc12 13559974 ZSWDNCJKCGDTKT-UHFFFAOYSA-N 365.440 4.581 0 1 FJAF Clc1ccc2[nH]c3c(c2c1)CN(CCc1ccc2ccccc2n1)CC3 29482655 MULKKPLNPGZBFJ-UHFFFAOYSA-N 361.876 4.970 0 1 FJAF O=C1CCCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1 40566985 DQOHQFYLWISJMK-UHFFFAOYSA-N 362.517 4.852 0 1 FJAF Cc1cc(CP(=O)(O)O)cc(C)c1Oc1ccc(O)c(C(C)C)c1 45495005 NHIXABYTSIZLRW-UHFFFAOYSA-N 350.351 4.602 0 1 FJAF O=C(O)CCNC/C=C/c1ccc(OCCCCCc2ccccc2)cc1 59616137 LVNIRKVTQANHFY-YRNVUSSQSA-N 367.489 4.556 0 1 FJAF CCCN(c1cc(OC)c(OC)c(OC)c1)c1ccc2c(ccn2C)c1 169309721 YXULNSXXRGGRHP-UHFFFAOYSA-N 354.450 4.752 0 1 FJAF Cc1ccc2c3c(cc(CNC(=O)OC(C)(C)C)nc13)-c1ccccc1C2=O 586996032 LWVLUHWSQDTGFI-UHFFFAOYSA-N 374.440 4.779 0 1 FJAF OCc1ccc2nc(CCN3c4ccccc4Sc4ccccc43)[nH]c2c1 587039377 DLBBNKJQGNTIDM-UHFFFAOYSA-N 373.481 4.901 0 1 FJAF Clc1ccccc1NCc1nc2c(Br)cnc(Cl)c2[nH]1 587060235 HCEKULNKVHIGAT-UHFFFAOYSA-N 372.053 4.639 0 1 FJAF Clc1ccc(C2=C[C@H](c3nc4c(Cl)c(Cl)cnc4[nH]3)ON2)cc1 587075669 GUUSPOOKFJVYIR-LLVKDONJSA-N 367.623 4.535 0 1 FJAF Cc1cc(Br)cc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587163325 PIQQMXJBUCXXIR-UHFFFAOYSA-N 361.214 4.588 0 1 FJAF Fc1nc(Cl)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587177612 QFKSMZRVJDZXMP-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccccc1F)CC2=O 587469138 WVCWOALGZVGAFY-IBGZPJMESA-N 366.392 4.580 0 1 FJAF Cc1cccc(-n2cc([C@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cn2)c1 587517722 SYEBTQRIXWKCOU-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF CSc1cccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587615907 ZXGKPJVQZZSKFD-GHTZIAJQSA-N 364.422 4.817 0 1 FJAF CCCCOc1ccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)cc1 587874066 SYCBIZPPQKARPJ-UHFFFAOYSA-N 352.365 4.662 0 1 FJAF COc1ccc(/C=C\Cc2nc3ccc(C(F)(F)F)cc3[nH]2)c(OC)c1 587929324 NBGOHPDNLYLYHQ-ARJAWSKDSA-N 362.351 4.855 0 1 FJAF Oc1ccc(CC[C@H]2CCC[C@@H](CCc3ccc(OCCF)cc3)N2)cc1 653711406 GUAMGPOCEBZQCX-RTWAWAEBSA-N 371.496 4.817 0 1 FJAF COC(=O)c1c(-c2ccc(C(F)(F)F)cc2)c2ccc(OC)cc2n1C 1857581861 RLACCVKCCPDAFL-UHFFFAOYSA-N 363.335 4.659 0 1 FJAF CC1=C(Cc2nn[nH]n2)c2ccccc2/C1=C\c1cccc(C(F)(F)F)c1 1857603853 VMVXMCZOTIURBE-YVLHZVERSA-N 368.362 4.789 0 1 FJAF O=C1Nc2ccccc2C1=C(c1ccc(F)cc1)c1nc2ccccc2[nH]1 1857624360 AFVMIZORDVMCAB-UHFFFAOYSA-N 355.372 4.613 0 1 FJAF Cc1nc(-c2ccc3ccccc3c2)sc1-c1cnc(NC(=N)N)s1 1857749283 KEGJDCOZPQXMOB-UHFFFAOYSA-N 365.487 4.701 0 1 FJAF CC1(C)[C@@H](Cc2ccccc2)C(=[N+]2CCCC2)C=CN1Cc1ccccc1 2382224045 DUBGBBYFMQPQDH-QHCPKHFHSA-N 359.537 4.901 0 1 FJAF Cn1cc(-c2cc3c(Nc4ccc(OC(F)(F)F)cc4)nccc3[nH]2)cn1 82078420 SDZIWXWTPYNANW-UHFFFAOYSA-N 373.338 4.606 0 3 FJAF COc1cccc(Cn2cnc(-c3ccccc3OC)c2-c2ccco2)c1 95598658 ZLXWNWAYLLUEKR-UHFFFAOYSA-N 360.413 4.876 0 3 FJAF O=C([C@H]1[C@H]2CCCC[C@H]2C=C[C@H]1c1ccc2c(c1)OCO2)N1CCCCC1 13415546 XILCCXRIHYUMKY-FUOQNJDISA-N 367.489 4.504 0 1 FJAF biogenic Cc1ccccc1-n1ccc2c(NCCCCO)nc3c(C)cccc3c21 13454980 AXWUACXMDJLJHM-UHFFFAOYSA-N 359.473 4.980 0 1 FJAF C[C@H](c1cc(=O)[nH]c(SC2CCCCC2)n1)c1c(F)cccc1F 13474581 CYLJSOXMKZQFQS-LLVKDONJSA-N 350.434 4.625 0 1 FJAF CC(C)[C@H]1[C@@H]2CC[C@H]1c1cccc(NC(=O)c3cn(C)nc3C(F)F)c12 38212535 XTDZGXBTXBEZDN-HEHGZKQESA-N 359.420 4.857 0 1 FJAF in-vitro COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC 40425439 AAUXGXRHLYYHSO-UHFFFAOYSA-N 351.402 4.864 0 1 FJAF O=C(NC1C2CC3CC(C2)CC1C3)N1CCC2(CCc3ccccc32)CC1 45364258 LQODPNODUZWIMX-UHFFFAOYSA-N 364.533 4.501 0 1 FJAF COc1cccc(Cn2c(C(C)(C)N)nc3cc(Cl)c(Cl)cc32)c1 72118106 POMXZROWQTYXKI-UHFFFAOYSA-N 364.276 4.594 0 1 FJAF CCCCCn1c(C(C)C)nc2c(NCCc3ccccc3F)ncnc21 82180957 CILXXTXQFLLNBB-UHFFFAOYSA-N 369.488 4.934 0 1 FJAF COC(=O)[C@H]1[C@@H](c2ccc(/C=C/c3ccccc3)cc2)C[C@H]2CC[C@H]1N2C 100921428 MQZCTSZOSLGBFX-DJJMMJIQSA-N 361.485 4.596 0 1 FJAF CN(C(c1ccc(F)cc1)c1ccc(F)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2C 101060964 JSMMTOCSBNIMIR-AERCQKQUSA-N 356.460 4.611 0 1 FJAF OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1coc2ccccc12 101185395 FSRGBFIJCFDRBB-RTBURBONSA-N 351.421 4.587 0 1 FJAF Cc1ccc(C(=O)C[C@@H]2Oc3cc(O)ccc3C=C2c2ccc(O)cc2)cc1 299830636 XOTNCGWKXPYERR-DEOSSOPVSA-N 372.420 4.981 0 1 FJAF Cc1ccc([C@H](C)[C@@H](O)c2nc3cc(F)cc(C(F)(F)F)c3[nH]2)cc1 586885612 CGLURUDFEVNUIJ-MGPLVRAMSA-N 352.331 4.866 0 1 FJAF Cc1ncsc1-c1c[nH]cc1-c1nc2cccc(Br)c2[nH]1 587028312 QIRFWJZAHABVLS-UHFFFAOYSA-N 359.252 4.752 0 1 FJAF Fc1c(Br)cc2[nH]c(-c3cc4c(s3)CCC4)nc2c1F 587033428 IHONASCKVHZULY-UHFFFAOYSA-N 355.207 4.821 0 1 FJAF Clc1cc(Cl)c2[nH]c([C@H]3CS[C@@H](Cc4ccccc4)N3)nc2c1 587041675 ORTVXAHZRJDEDM-CABCVRRESA-N 364.301 4.816 0 1 FJAF Cc1cccc2nc(/C=C\c3cccc(I)c3)[nH]c12 587184795 WMISODWFEUTWEL-HJWRWDBZSA-N 360.198 4.646 0 1 FJAF C[C@H]1c2nc3cccc4c3c(c2C[C@@H](C(=O)O)C1(C)C)-c1ccccc1C4=O 587207314 RJAQHPIZJKSJAL-SJCJKPOMSA-N 371.436 4.833 0 1 FJAF C[C@@]1(Cc2ccccc2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587356747 RMKGNBOELMGJIJ-GGAORHGYSA-N 362.400 4.892 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(F)c(Cl)cc1Cl)[C@@H](C2)C3=O 587424679 RYHVDZKRBCKJSX-BTDLBPIBSA-N 353.176 4.630 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccccc1Cl 587547708 NCYZZZQWUQTAQY-YLJYHZDGSA-N 352.773 4.749 0 1 FJAF CCCN1CCc2cc(OC)cc3c2[C@H]1Cc1cccc(OCCCF)c1-3 1857599840 VZQFALQFYUPHDK-HXUWFJFHSA-N 369.480 4.966 0 1 FJAF Cc1ccc(C2=CCN(C)C(=O)N2c2ccc(Br)cc2)cc1 203463476 IKKDHTNTJODEKL-UHFFFAOYSA-N 357.251 4.670 0 3 FJAF CCCCCCC1=NOC[C@]1(C)C(=O)NCc1ccc(C(C)(C)C)cc1 4215634 ZUKOTIVJYAIDRQ-QFIPXVFZSA-N 358.526 4.963 0 1 FJAF O=c1c(-c2cccc(Cc3ccoc3)c2)c(O)[nH]c2cc(Cl)ccc12 13775724 OUHUMSRECNFDEY-UHFFFAOYSA-N 351.789 4.738 0 1 FJAF O=C(NCC[C@H]1CCCc2ccccc21)c1ccc(OC(F)(F)F)cc1 29040714 FYRPRLROAVQHPT-OAHLLOKOSA-N 363.379 4.825 0 1 FJAF Clc1ccc(CN2CCC(NC3C4CC5CC(C4)CC3C5)CC2)cc1 40894589 RZZAHLLQLSKGSP-UHFFFAOYSA-N 358.957 4.719 0 1 FJAF Fc1cccc(Cl)c1-c1nc(-c2ccc(Br)cc2)n[nH]1 64573254 CAJHTCBKUWXOAU-UHFFFAOYSA-N 352.594 4.694 0 1 FJAF Cc1cnc(-c2cnc(NCCc3ccc(F)cc3)nc2-c2ccccc2)o1 82162484 HPYOECUJRIPCLP-UHFFFAOYSA-N 374.419 4.901 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3ccccc3)ncnc21 82178563 CVTCTSVLKSZNHU-MRXNPFEDSA-N 351.498 4.683 0 1 FJAF CCc1cnc(-c2cnc(N3C[C@H](C)C[C@@H](C)C3)nc2-c2ccco2)s1 82219719 GRFIQONOIDJALZ-ZIAGYGMSSA-N 368.506 4.905 0 1 FJAF c1ccc(OCc2nnc(Sc3ccccc3)n2-c2ccccc2)cc1 95595201 MZVJWGBRZFGCEG-UHFFFAOYSA-N 359.454 4.998 0 1 FJAF O=C1CCc2cc([C@@H](c3ccncc3)c3cccc(Cl)c3)cc3c2N1CC3 95597759 CWQIYOHKMPSADC-QFIPXVFZSA-N 374.871 4.751 0 1 FJAF CCn1nc(C(F)(F)F)cc1-c1ccc(NCc2ccccc2F)cn1 143212990 LVINYKJQMUCKRG-UHFFFAOYSA-N 364.346 4.735 0 1 FJAF Clc1cc(-c2ccccc2)nc(SCc2nc3ccccc3[nH]2)n1 299830851 YDZZSAPBURKQTK-UHFFFAOYSA-N 352.850 4.966 0 1 FJAF Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1 584606105 BWDARHFPTQIHIU-UHFFFAOYSA-N 352.397 4.957 0 1 FJAF CC(C)C[C@H](Cc1cccc(Br)c1)c1nc2cc(=N)[nH]cc2[nH]1 586981890 FYTMOMNWQOUBKJ-CYBMUJFWSA-N 373.298 4.505 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3cc(Cl)c(Cl)nc3[nH]2)cs1 587022099 ULUSTSSATXOMIT-UHFFFAOYSA-N 350.234 4.692 0 1 FJAF Cc1c(-c2nc3c(C)c(Cl)ccc3[nH]2)sc2c1C(=O)N1CCC=C1N2 587029606 QSDCXYRTEHEPRA-UHFFFAOYSA-N 370.865 4.674 0 1 FJAF Cc1cc2nc(CCc3nnc(-c4ccc(Cl)cc4)o3)[nH]c2cc1C 587076620 NASIGIDTLPHMRC-UHFFFAOYSA-N 352.825 4.668 0 1 FJAF CSc1nccc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)n1 587101372 FTXNXHCNUXEIPG-UHFFFAOYSA-N 369.449 4.934 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(-c3ccc(Cl)cc3)noc1C)O2 587380867 XNTGXDAJMYVAJW-KRWDZBQOSA-N 368.820 4.901 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(-c3ccccc3C)nc1)CC2=O 587491490 TVMKWCIRUIQCHC-OAQYLSRUSA-N 374.440 4.817 0 1 FJAF CCC[C@]1(c2ccccn2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587767832 BGJSTDTWDMBBMM-SGTLLEGYSA-N 363.274 4.561 0 1 FJAF COc1ccc(C)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c1 587807175 KBPSBNZIVNEZOG-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)([C@H]2C[C@H]3C=C[C@H]2C3)N1 587820424 PFFSRPRHHRGPBB-XNAUFCNNSA-N 350.275 4.550 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3occc23)N1 587826997 HTPYGDHJMXNONW-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF CC(C)N1C[C@H]2CN(c3cccc(-c4cc5cc(F)ccc5[nH]4)c3)C[C@H]2C1 618017294 NDCXAZRLHFCLQK-KDURUIRLSA-N 363.480 4.750 0 1 FJAF C=C(c1ccc(OC(F)(F)F)cc1)c1cc(OC)c(OC)c(OC)c1 1857748169 QUHJBSQQBCUJSG-UHFFFAOYSA-N 354.324 4.673 0 1 FJAF C=CC=CCC=CCC=CCC=CCC[C@@H](OC(C)=O)[C@@H](C)NC(C)=O 2356819225 FAINHVIYJBLRIC-DENIHFKCSA-N 359.510 4.804 0 1 FJAF COc1ccccc1[C@@H]1CC(=O)Oc2cc(C)c(Br)c(C)c21 13814875 NDGBPOCKWOOINK-ZDUSSCGKSA-N 361.235 4.516 0 3 FJAF CCOC(=O)c1c2cccccc-2nc1Nc1cccc2c(C)ccnc12 1638790 CDXOTVJYUVXZCH-UHFFFAOYSA-N 357.413 4.963 0 1 FJAF COc1ccc2c(nc(Nc3c(C)cccc3Cl)c3cncn32)c1OC 13441528 RCNSCNAAOXUJHV-UHFFFAOYSA-N 368.824 4.605 0 1 FJAF Cn1c2c(c3cccc(Cl)c31)CN(CCCOc1ccc(F)cc1)CC2 13476844 BERZXAZRUSUWMQ-UHFFFAOYSA-N 372.871 4.798 0 1 FJAF CC(C)(C)c1ccc([S@](N)(=O)=NC(=O)Nc2ccc(Cl)cc2)cc1 25975139 JKWZZSXWXWIDAG-XMMPIXPASA-N 365.886 4.570 0 1 FJAF CN1CC[C@@H](c2ccc(Cl)cc2)[C@H](c2nc(-c3ccccc3)no2)C1 26188981 BFZBAJONTVXMLR-ZWKOTPCHSA-N 353.853 4.593 0 1 FJAF CCN1CC[C@@H]2[C@H](C1)c1cc(Cl)c(C)cc1[C@H]2c1ccc(C(=O)O)cc1 26248545 OXNUMWCQOYGWMX-PBEJRMEISA-N 369.892 4.918 0 1 FJAF CCCCc1ccnc([C@H](CC2CCCCC2)NC(=O)CCCCN)c1 26485864 AAKQJTJLPOJEEF-NRFANRHFSA-N 359.558 4.681 0 1 FJAF CC[C@H](C1=CC(=O)OC1)[C@@]1(C)CC[C@@H]2[C@H](CC[C@@H]3C[C@@H](O)CC[C@@]32C)C1 26824990 UMJZDACYLLYXCX-PWOHOIKKSA-N 360.538 4.880 0 1 FJAF Cc1cccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@H]3CC[C@@H]2N3C)c1 36271106 DCCIBUPSLSMHHL-PBASOCQRSA-N 369.892 4.820 0 1 FJAF CC(=O)O[C@H]1CC[C@]2(C)[C@@H]([C@H](C)CCC=C(C)C)C[C@@H]3OC(=O)C[C@@H]1[C@@H]32 40918250 RIEMONVULWSQQO-QTKMSAHMSA-N 362.510 4.669 0 1 FJAF O=C(c1ccc2c(c1)c1ccccc1n2Cc1ccncc1)N1CCCCC1 96938383 RVHWXPKCVHKXBJ-UHFFFAOYSA-N 369.468 4.864 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cncc2ccccc12 115765127 DYWZPAHYUUQFQY-UHFFFAOYSA-N 364.836 4.939 0 1 FJAF CC(C)[C@@H](c1nc2cc(Cl)ncc2[nH]1)N(C)C(=O)OCc1ccccc1 587197230 BDKAPMFJTWPGIH-KRWDZBQOSA-N 372.856 4.577 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCc3c1[nH]c1ccc(Cl)cc31)O2 587379564 JGOJAPOQVYCTAO-HXUWFJFHSA-N 352.821 4.519 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3c(c1)CCCN3CC)CC2=O 587476600 VSPJFJHYWLMBRV-JOCHJYFZSA-N 365.473 4.824 0 1 FJAF C[C@]1(c2c[nH]c3nccc(Cl)c23)CC(=O)c2ccc3c(c2O1)CCCC3 587498630 JLYAXUMVAJDHHO-OAQYLSRUSA-N 366.848 4.976 0 1 FJAF O=C1C[C@@H](c2ccc(-n3ccnc3)c(F)c2)Oc2c1ccc1c2CCCC1 587509122 XDXSWAVGTQUVPG-NRFANRHFSA-N 362.404 4.597 0 1 FJAF Cc1ccc(C)c([C@]2(C)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1 587602077 IQRQVONWOPZAFX-REWPJTCUSA-N 360.409 4.886 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccn3c2)N1 587773662 REDPSIZGVQMWMA-BLVKFPJESA-N 373.269 4.639 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3[nH]ccc3c2)N1 587801660 HRLPYCKZDJHUDA-XTZNXHDOSA-N 359.242 4.693 0 1 FJAF Cc1coc(C)c1[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587830426 SZAKEIMRYYWQEJ-BMLIUANNSA-N 352.247 4.596 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)[C@@H]1C[C@@H]1c1ccccc1 587872371 WOFLWYMRPJLLIQ-QZTJIDSGSA-N 350.393 4.532 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@](c2nc3ccccc3n2C)(C2CC2)N1 962944268 HLXICBCKOYQHNJ-GYCJOSAFSA-N 370.500 4.633 0 1 FJAF COC(=O)C(=CCCC(=CCCc1ccoc1)C(=O)OC)CCC=C(C)C 2356336875 RHYBSUZKHZEFTF-UHFFFAOYSA-N 374.477 4.938 0 1 FJAF CC=C[C@@H]1OC[C@@]2(COC(=O)NC3CCCCC3)[C@@H](C)C=C(C)[C@H]1[C@H]2C 2356437150 IOUYXYGRBKBIAU-SRVURFJDSA-N 361.526 4.855 0 1 FJAF COc1cc(OC)cc(-c2cc3cc(O)c4c(c3o2)CC=C(C)CO4)c1 2356489256 QNMIYQNVWMSFMF-UHFFFAOYSA-N 352.386 4.704 0 1 FJAF Cc1ccn2cc(-c3ccc(OCCCN4CCCCC4)cc3C)nc2c1 1909638 QVDDFSGAFQXPKZ-UHFFFAOYSA-N 363.505 4.873 0 1 FJAF Cc1cccc(C(=O)N(C)c2cc(-c3ccccc3)sc2C(=O)O)c1 3648501 WSVIZKVFQAXLNK-UHFFFAOYSA-N 351.427 4.698 0 1 FJAF c1ccc(CN2CCC(CCOc3ccc(-c4ccccc4)nn3)CC2)cc1 13863647 VZIIROIDZAERNQ-UHFFFAOYSA-N 373.500 4.825 0 1 FJAF Cc1cccc2c3cc(NC(=O)N4CCOCC4)ccc3n(C(C)C)c12 27101643 GYHIXYWTIRXOOU-UHFFFAOYSA-N 351.450 4.548 0 1 FJAF O=C(c1cccs1)c1nc(NCc2ccccc2)nc2ccsc12 29049924 VAKBAVCRGSQHSJ-UHFFFAOYSA-N 351.456 4.596 0 1 FJAF CC[C@@H](C)C(=O)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C 34315791 QOBHVCSONWIIQM-SSLVJURHSA-N 371.565 4.857 0 1 FJAF CCCCCOc1c(OC)cc(N[C@@H](C)CCCN)c2nccc(CC)c12 43026431 ROYJEBXFKCEWSH-INIZCTEOSA-N 373.541 4.914 0 1 FJAF Cc1cc(N2CC[C@H](N3CCC[C@@H]3C)C2)ccc1NC(=O)C1CCCCC1 43204906 KARKKBOPJCCXQK-RXVVDRJESA-N 369.553 4.577 0 1 FJAF Cc1nn(-c2cccc(N(C)C)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12 45506501 YBCXNIYSNJHIKZ-INIZCTEOSA-N 371.488 4.968 0 1 FJAF OC1=C2C(=Nc3nc(Cc4ccccc4)nn3[C@H]2c2cccs2)CCC1 104060332 JFIOUINNSXWVFR-IBGZPJMESA-N 362.458 4.602 0 1 FJAF C/C=C/c1cc(OC)c2c(c1)[C@@H](C)[C@H](c1cc(OC)c(OC)c(OC)c1)O2 138031920 GPTWTKZDAAYJRN-RTJDVGLLSA-N 370.445 4.991 0 1 FJAF biogenic,in-vitro CC1(C)CCC(C)(C)c2cc(C(=O)COc3ccc(C(=O)O)cc3)ccc21 143256472 ZEBPEUMIMQCCQD-UHFFFAOYSA-N 366.457 4.996 0 1 FJAF CCN1C(=O)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12 169310103 CAJALTAVRYNFRC-RNXKOBMFSA-N 359.554 4.789 0 1 FJAF OC[C@@H](Nc1cc(N2CCCCC2)nc2ccccc12)c1ccc(F)cc1 299840105 ULWHRLFXBWLREQ-OAQYLSRUSA-N 365.452 4.510 0 1 FJAF COc1ccc(Oc2cc(NC[C@H]3CC[C@H]4C[C@H]3C4(C)C)ncn2)cc1 299883412 RINBHRNIRDMPQP-RVKKMQEKSA-N 353.466 4.762 0 1 FJAF CC(C)(C)OC(=O)Nc1cnc(-c2nc3cc(Cl)ccc3[nH]2)s1 587023924 XBNAPEIKWXTAQZ-UHFFFAOYSA-N 350.831 4.687 0 1 FJAF CCOc1n[nH]c(-c2nc3ccc(Oc4ccccc4)cc3[nH]2)c1Cl 587065061 KZBCSNUJLWIZIS-UHFFFAOYSA-N 354.797 4.797 0 1 FJAF COc1cc2nc(-c3cn(-c4ccc(Cl)cc4)nc3C)[nH]c2cc1F 587075840 NISQKSVGVMVJGK-UHFFFAOYSA-N 356.788 4.525 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]([C@@H]1CCOC1)CCC3 587209123 JYEOAYDMTZOSTN-HUUCEWRRSA-N 355.437 4.903 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2ccc([C@H](N)N=O)cc2[nH]1 587240955 SMNQXEDOOAAVNY-HXUWFJFHSA-N 373.416 4.706 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(Cc1cc(Cl)cc(Cl)c1)O2 587376926 DTCNVIMFINKQMR-SFHVURJKSA-N 350.245 4.851 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(c1cc3cccc(O)c3o1)CC2=O 587481922 NPMMGGFIKYWZQX-NRFANRHFSA-N 352.386 4.677 0 1 FJAF Cn1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c2c(Cl)cccc21 587496258 ARIITGOMUYTPQJ-GOSISDBHSA-N 366.848 4.812 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1ccsc1)CC2=O 587497577 XDAKXYJUBJASNS-KRWDZBQOSA-N 354.431 4.503 0 1 FJAF CCOc1ccc([C@@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)cc1F 587501371 BMKPWRCTVKXCDW-JOCHJYFZSA-N 354.421 4.984 0 1 FJAF Cc1nc2ccncc2cc1[C@@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587523862 HVXKYGDYWWHCKA-HSZRJFAPSA-N 358.441 4.698 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1cc(F)c(F)c(F)c1 587555534 GQFISRGCGQJPPT-UZLBHIALSA-N 372.298 4.512 0 1 FJAF COc1ccc(-c2[nH]c3ccc(F)c(Cl)c3c2Cn2ccnc2)cc1 587631989 OQABEVDXOQEBCS-UHFFFAOYSA-N 355.800 4.881 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Cl)N1 587692478 HGEYOYBOYLMUOU-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(F)c1 587726592 YBHBPWINTUVSGM-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cccc3c2CCC3)N1 587815800 QHXUFCZJEWQGGM-MPBGBICISA-N 374.297 4.875 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(CCc3ccccc3C2)N1 587817228 JKVHKTCRTSZMLG-CWTRNNRKSA-N 360.270 4.507 0 1 FJAF Cc1cc2c(cc1O)[C@H]([C@H](C)CC[C@H](C)CC(C)(C)C)N[C@H](C(=O)O)C2 963547269 AWHXQOFWXQZECW-ZZXMYQEDSA-N 361.526 4.829 0 1 FJAF O=C1C[C@H](c2ccc(O)cc2)Oc2cc(O)c(CC=C3CCCC3)c(O)c21 1857650541 IALKZQGOEOFEMS-LJQANCHMSA-N 366.413 4.553 0 1 FJAF Cc1ccc(NC(=O)OCCCN2C(=O)CCC23CCC(C)CC3)cc1C 96019350 PZCWDASPZIFYAX-UHFFFAOYSA-N 372.509 4.813 0 3 FJAF Fc1cnccc1-c1cc(-c2ccc(F)c(-c3ncccc3F)c2)cnn1 13686148 MNTGRSPARUFALM-UHFFFAOYSA-N 364.330 4.685 0 1 FJAF CCN(Cc1ccccc1)Cc1ccccc1C(=O)N(C)c1ccccc1 13862495 JIBPVCGAGDZNGL-UHFFFAOYSA-N 358.485 4.985 0 1 FJAF CCCc1cc(=O)oc2c(C(=O)C(C)C)c(O)c(CC=C(C)C)c(O)c12 14586089 FLFMHVIZGHIVEJ-UHFFFAOYSA-N 358.434 4.504 0 1 FJAF endogenous,in-man C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1cccc(Cl)c1 21310855 ACPJVYONOCOGEX-SNVBAGLBSA-N 358.652 4.731 0 1 FJAF Cn1c2c(c(=O)n1-c1cc(Cl)ccc1Cl)[C@H]1CC[C@]2(C)C1(C)C 35278159 LDMFKWUZUDRFEG-ZMZPIMSZSA-N 351.277 4.658 0 1 FJAF COc1ccc(C)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 40401501 FBORYBIMVUYFBF-UHFFFAOYSA-N 360.339 4.618 0 1 FJAF FC(F)(F)c1ccc(-c2nc(CN3CCc4ccccc4C3)co2)cc1 72181986 YFDUDDOKGSWRKS-UHFFFAOYSA-N 358.363 4.919 0 1 FJAF FC(F)(F)Oc1cccc(-c2nnc(SCc3ccccc3)o2)c1 95569524 KPONWZIBJGRTRH-UHFFFAOYSA-N 352.337 4.928 0 1 FJAF COc1cc2c(c(OC)c1)[C@H](Cc1ccc(-c3ccccc3)cc1)NCC2 103173747 AAWYNXATVJQBBM-QFIPXVFZSA-N 359.469 4.800 0 1 FJAF COC(=O)CCCCCC[C@H]1C(=O)C[C@@H](O)[C@@H]1c1ccc(C(C)(C)C)cc1 137008006 IRVWZTVUXFVHPI-CZTZKLFOSA-N 374.521 4.531 0 1 FJAF CC1=CC[C@H](C[C@H](C)Oc2ccc(/C=C3\SC(=O)NC3=O)cc2)CC1 139520245 KCXMCDKKIBWBCH-IHCWGGNOSA-N 357.475 4.914 0 1 FJAF O=C(O)c1ccccc1-c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144738998 MSMLJLIYWWFDTP-HXUWFJFHSA-N 370.326 4.830 0 1 FJAF Cc1c(C)c(O)c(/C(=C/CCCCCC(=O)O)c2cccnc2)c(C)c1O 169712476 ARXCABKKERFKRS-VCHYOVAHSA-N 369.461 4.885 0 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350.414 4.549 0 1 FJAF C[C@]1(c2ccccc2S)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611948 HSQXHGBWCIYUBW-WIYYLYMNSA-N 364.422 4.558 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc(Cl)c(O)c2)N1 587696475 ULEORTITAOXWBK-PWJLMRLQSA-N 370.649 4.571 0 1 FJAF CCCOc1ccc2c(c1)[C@@]1(CCO2)c2ccc(F)cc2C[C@H]2CCCN21 963105227 LZQOLZDVMLQUHM-WZONZLPQSA-N 367.464 4.661 0 1 FJAF c1ccc(Nc2ccnc3cc(-c4cnn(C5CCNCC5)c4)ccc23)cc1 1772583524 SZGSAXBENGQYRY-UHFFFAOYSA-N 369.472 4.766 0 1 FJAF COc1ccc(-c2cccc(F)c2)cc1[C@@H](CC(=O)O)c1ncc(C)s1 1772636106 ONEDBRXKIKBOTF-QGZVFWFLSA-N 371.433 4.873 0 1 FJAF COc1ccc2c(c1)[nH]c1c(N3CC[C@@H](Cc4ccccc4)C3)nccc12 1857629820 MIBIJDVVIHDUQL-KRWDZBQOSA-N 357.457 4.794 0 1 FJAF O=C(Nc1ccc(F)cc1-c1cccc(Cl)c1)OCC1CCNCC1 1911577798 HLWLKLSVJQAUNS-UHFFFAOYSA-N 362.832 4.694 0 1 FJAF COC(=O)C1=C2C[C@H](OC(C)=O)[C@@H]3C(C)(C)CCC[C@]3(C)[C@@H]2CC[C@@H]1C 2356687693 YFTPYZDSHBLAJW-FAMXCSNYSA-N 362.510 4.670 0 1 FJAF CC(C)[C@H](C)NC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773708 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369.464 4.759 0 1 FJAF CC1(C)C[C@](NC(=S)Nc2cccc(F)c2)(c2ccccc2)CCO1 72110270 WCQOWJRKUQCNQM-FQEVSTJZSA-N 358.482 4.597 0 1 FJAF CCCCN(CCCC)C[C@H](O)c1ccc2cc(OC)c(Cl)cc2n1 169337616 JUMGGAMCZNJMNL-IBGZPJMESA-N 364.917 4.832 0 1 FJAF COc1ccc2c(c1)CC[C@]1(CCCCN1CCc1ccccc1C)C2=O 207873938 GSEYNHMUMIJZTB-XMMPIXPASA-N 363.501 4.600 0 1 FJAF CC(C)c1cc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c(O)c(C(C)C)c1 586897033 VUYFEIWNLYHENK-UHFFFAOYSA-N 350.422 4.764 0 1 FJAF Cc1ccc(-n2ccnc2SCc2nc3ccc(F)cc3[nH]2)c(C)c1 586966497 OOLBMFHTGHLGLU-UHFFFAOYSA-N 352.438 4.797 0 1 FJAF Cc1ncc(-c2nc3cc(Cl)cc(F)c3[nH]2)c(C)c1Br 586979055 PKDSXBRYOLGTEC-UHFFFAOYSA-N 354.610 4.797 0 1 FJAF CC(C)(C)c1ccc2nc(CCNc3ccc(Br)cc3)[nH]c2n1 586996696 XUAVBWBKLYQCIC-UHFFFAOYSA-N 373.298 4.673 0 1 FJAF CC(C)(C)c1ccc2nc(-c3cc4ccc(Br)cn4c3)[nH]c2n1 587006244 KEJIFOZGLIDVAM-UHFFFAOYSA-N 369.266 4.938 0 1 FJAF Fc1cc2nc(-c3csc(-c4ccc5c(c4)CCO5)n3)[nH]c2cc1F 587018144 XHWWECIZIKHZNO-UHFFFAOYSA-N 355.369 4.567 0 1 FJAF N[C@H](N=O)c1ccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc2c1 587083227 JZLMNJMXYQKPFJ-MRXNPFEDSA-N 372.215 4.809 0 1 FJAF CCc1c(CC(=O)C2CC2)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587099126 AOCWJEHKXINZBE-UHFFFAOYSA-N 355.437 4.839 0 1 FJAF C[C@H](Cc1cccc(C(F)(F)F)c1)c1nc2cc3c(cc2[nH]1)NC(=O)CC3 587113851 OBNZUOBGYSUBKU-LLVKDONJSA-N 373.378 4.813 0 1 FJAF C[C@@]1(c2nc3cc(Cl)cc(Cl)c3[nH]2)Cc2ccc(F)cc2C(=O)O1 587171869 BVCVJXYQNWLVDW-KRWDZBQOSA-N 365.191 4.637 0 1 FJAF CCCCOc1cc2nc([C@@H](N)C(C)(C)C)[nH]c2cc1Br 587257949 RUGDBTQGGQHRNB-CQSZACIVSA-N 354.292 4.550 0 1 FJAF COc1ccc(-c2ccccc2)c([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)c1 587400738 SQDMCPLZRWZQQA-QFIPXVFZSA-N 359.425 4.959 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4csc(C)n4)s1)[C@@H](C2)C3=O 587449162 FHMGQUZYQMPLTA-HXPMCKFVSA-N 369.467 4.677 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc3nc(C)sc3c1)CC2=O 587494570 KXBMNEKADIQQIJ-GOSISDBHSA-N 353.443 4.969 0 1 FJAF Cn1cc(-c2ccc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)cc2)cn1 587517123 HHOHZYUOZIJWRB-QFIPXVFZSA-N 358.441 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373.503 4.973 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1Cc1c2n[nH]c1C(F)(F)F 13672634 STCJOUJYTRRLKN-ZLHSVIROSA-N 362.395 4.704 0 1 FJAF COc1ccc2cc([C@@H](c3ccc(C(F)(F)F)cc3)n3cncn3)oc2c1 13680638 HZNXQCYACVRDHF-GOSISDBHSA-N 373.334 4.689 0 1 FJAF CCn1c(=O)n(C2CCN(CC3CCCCCCC3)CC2)c2ccccc21 13802713 KCQGDRBBVRBNEE-UHFFFAOYSA-N 369.553 4.820 0 1 FJAF C[S@](=O)c1nc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)[nH]1 28218549 KMTKGYIXHGZBLU-JOCHJYFZSA-N 351.258 4.788 0 1 FJAF COc1cc(/C=C/Cc2cc(O)c3ccsc3c2)cc(OC)c1OC 38143423 PFXLWGSECSGAJQ-GQCTYLIASA-N 356.443 4.889 0 1 FJAF CN1CC[C@]2(Cc3ccccc3)c3ccccc3N(Cc3ccccc3)[C@H]12 40835645 UYRHGHRUYWENSS-DQEYMECFSA-N 354.497 4.849 0 1 FJAF Cc1ccc(NC(=O)CC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1 40934667 XWMDWGDDWKLDEH-UHFFFAOYSA-N 362.473 4.540 0 1 FJAF CC(C)(C)CCN1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C1 66139243 LJUAIJJBBDXWLJ-CQSZACIVSA-N 357.325 4.624 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c([C@H]3CCCCC[C@@H]3O)nnc12 72109147 JGUHONHSPUGTCT-HOCLYGCPSA-N 371.868 4.892 0 1 FJAF OC[C@H]1CC[C@@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1 144014852 NJDTZXUHOKCZAJ-DLBZAZTESA-N 361.445 4.889 0 1 FJAF CC(C)(C)[C@]1(O)CCN2C[C@H]3Cc4ccccc4Cc4cccc(c43)[C@@H]2C1 169328465 DAVHTUSZZYGLKT-KJWPAHLWSA-N 361.529 4.845 0 1 FJAF c1ccc(COc2ccc3nc(-c4csc5c4CCOC5)[nH]c3c2)cc1 587031963 NWKYBNBXJGMBBY-UHFFFAOYSA-N 362.454 4.943 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3cccn3-c3ccc(Cl)cc3C)nc12 587066433 NHFFYDIXXMEWTD-UHFFFAOYSA-N 365.820 4.769 0 1 FJAF Cc1c(-c2nc3ccc4ncccc4c3[nH]2)cnn1-c1ccc(Cl)cc1 587075818 NDIPUJMEQMNAPS-UHFFFAOYSA-N 359.820 4.926 0 1 FJAF Cc1ccc(-c2cc(-c3nc4cncnc4[nH]3)c3cccc(Cl)c3n2)o1 587083495 XBFUNRFKQGPSOX-UHFFFAOYSA-N 361.792 4.790 0 1 FJAF CCc1ccc2nc([C@@H]3CCCN3C(=O)Nc3ccc(F)cc3)[nH]c2c1 587167472 NRBPRYGMUIQCGS-SFHVURJKSA-N 352.413 4.633 0 1 FJAF CNC(=O)c1cccc(-c2cccc(Cc3nc4cc(C)cc(C)c4[nH]3)c2)c1 587231942 IRMNFSDMFPMJIF-UHFFFAOYSA-N 369.468 4.797 0 1 FJAF Cc1c(NC(N)=O)cccc1-c1nc2ccc(Oc3ccccc3)cc2[nH]1 587239640 MIJUQDXEBIIAMH-UHFFFAOYSA-N 358.401 4.821 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(-c3ccc(F)cc3)on1)CC2=O 587473280 ZIOCJKZPYNNGFB-HXUWFJFHSA-N 367.376 4.845 0 1 FJAF COC(=O)c1[nH]c2ccc(F)c(Cl)c2c1C(=O)c1cccc(Cl)c1 587628754 OVZLFWBYZJZBGZ-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)c1ccoc1C 587859188 SJBNOXDZWQURIR-UHFFFAOYSA-N 365.216 4.846 0 1 FJAF CC(C)Oc1ccc(OC(C)C)n1[C@H](COc1cc(F)cc(F)c1)N=O 587944088 AUWXZWYRMSGECK-MRXNPFEDSA-N 368.380 4.685 0 1 FJAF COC(=O)[C@]12CC[C@@]3(C)CC=C(COC(C)=O)C=C[C@H]3[C@@H]1CC[C@@H]2C(C)C 653893462 ROEHNTVCPPCYIC-BEHZJIDTSA-N 374.521 4.694 0 1 FJAF CN(C)Cc1ccc(-c2cc3occ(-c4ccccc4)c3c(=O)n2C)cc1 1772577153 VJSXVGMYKNJACC-UHFFFAOYSA-N 358.441 4.527 0 1 FJAF Clc1cc(Cl)cc(CNCCCc2nc3ccc(Cl)nc3[nH]2)c1 1772607173 QXDNWXCSVXOSNT-UHFFFAOYSA-N 369.683 4.641 0 1 FJAF CC1(N)CCN(c2nc(-c3ccc4cc(Cl)ccc4c3)cs2)CC1 1772626475 JNDUYENCONPGCF-UHFFFAOYSA-N 357.910 4.934 0 1 FJAF Nc1ccc2nc(Cl)c(-c3cc(-c4ccccc4)nn3C(=O)O)cc2c1 1772634239 CCLTUSHXHIFCBS-UHFFFAOYSA-N 364.792 4.527 0 1 FJAF 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O=C(O)/C=C/c1ccccc1-c1nc2ccc(OCc3ccccc3)cc2[nH]1 586881833 ZLMILANEUNWEGM-JLHYYAGUSA-N 370.408 4.907 0 1 FJAF Cc1c(Cl)ccc2nc(-c3cnn4cccc(Br)c34)[nH]c12 587007457 YTPJMOFXVYUIJH-UHFFFAOYSA-N 361.630 4.602 0 1 FJAF CCOc1n[nH]c(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)c1Cl 587065821 ZZIHZIZPVRWRTI-UHFFFAOYSA-N 362.764 4.617 0 1 FJAF COc1cc2nc(-c3ccc(-c4ccccc4)c(Cl)n3)[nH]c2cc1OC 587083994 QHIYSPZCNIPUQW-UHFFFAOYSA-N 365.820 4.963 0 1 FJAF COc1cc2nc(-c3cccnc3NCc3ccccc3)[nH]c2cc1Cl 587230774 ZCZNMYOIUZCOTP-UHFFFAOYSA-N 364.836 4.899 0 1 FJAF CC[C@@]12C[C@H]3C[C@H]1[C@H]2[C@@]31Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587354697 RAXBCYVSCJJNHH-IRTLNHNGSA-N 364.416 4.695 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c(Cl)c(C)nn1CCC)CC2=O 587460533 GXHODFJCRZJGFN-MRXNPFEDSA-N 362.857 4.620 0 1 FJAF O=C(O)c1cccc2c(Sc3nncs3)c(-c3ccc(F)cc3)[nH]c12 587637303 AOSHOOMDUNDJMW-UHFFFAOYSA-N 371.418 4.675 0 1 FJAF Cc1nc(-n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)ccc1Cl 587656648 HXVUXFOHPSBWEL-UHFFFAOYSA-N 365.795 4.549 0 1 FJAF Cc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725702 RRRZDIBVZSPQAQ-DYZYQPBXSA-N 352.222 4.659 0 1 FJAF COc1ccc([C@@H](c2ccccc2)c2nc3cc4cn[nH]c4cc3[nH]2)cc1 587937556 PGDHKAPDFLQICZ-OAQYLSRUSA-N 354.413 4.628 0 1 FJAF Brc1ccc2c(c1)[C@@H]([C@@H]1CCc3ccccc3C1)NC1(CC1)C2 961329110 XKPCNLVXEJNBKL-OXQOHEQNSA-N 368.318 4.974 0 1 FJAF COc1cc2c(cc1OC)[C@@H](c1c[nH]c3ccc(Cl)cc13)N(C)[C@@H](C)C2 962616802 BMXDISXZTNPVNV-QKVFXAPYSA-N 370.880 4.804 0 1 FJAF Cc1cc([C@]2(C)c3cccc(F)c3CCN2[C@@H]2CCSC2)cc(C)c1O 962715922 PRZPBZBNWWSJLD-VGOFRKELSA-N 371.521 4.775 0 1 FJAF Fc1ccc2c(c1)C[C@H]1CCCN1[C@@H]2c1cnn(-c2ccccc2Cl)c1 963089395 HCQDJRHHQHKDSS-DYESRHJHSA-N 367.855 4.775 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C(=O)O)c1c(C)cc(C)cc1C 963228699 MMXNKFSSHZOMNC-MBSDFSHPSA-N 351.490 4.597 0 1 FJAF Fc1ccccc1CC[C@@H]1CN(Cc2ncn3ccccc23)CCC1(F)F 1772620710 BEHBHQPFSHRDLR-QGZVFWFLSA-N 373.422 4.563 0 1 FJAF Cc1ccc(C(N)=O)cc1NC(=O)c1ccc(-c2ccccc2Cl)s1 1857601077 KOIBIRQLLMOENW-UHFFFAOYSA-N 370.861 4.728 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=CC=C(C(C)C)CC[C@@](C)(O)[C@H]2CC[C@@]1(C)O2 2356506161 DPTKQCRAINPRHK-GXRSIYKFSA-N 364.526 4.710 0 1 FJAF CCCCc1nc(CN2CCC[C@H](C(=O)c3ccc(SC)cc3)C2)c[nH]1 15962211 CVCSSKHCCICILT-KRWDZBQOSA-N 371.550 4.569 0 3 FJAF O[C@@H](c1ccc(F)c(F)c1)c1nc(-c2cnc3ccccc3c2)cs1 61903617 RGHOYXPOTSSSIL-SFHVURJKSA-N 354.381 4.718 0 3 FJAF COc1ccc(OC)c(NC(=O)c2ccccc2NCc2ccccc2)c1 206495873 RMMKVVLQVSDNMK-UHFFFAOYSA-N 362.429 4.568 0 3 FJAF COc1cccc2c(CCCN3CCN(C4CCCCC4)CC3)cccc12 22931153 OAXSBEWCGPXYFN-UHFFFAOYSA-N 366.549 4.731 0 1 FJAF COc1ccccc1[C@@H]1CC(Nc2ccc3ccccc3c2)=NN1C(C)=O 34095394 XNTRGQZAZCJMCC-FQEVSTJZSA-N 359.429 4.567 0 1 FJAF CC(C)CN(C)c1cc(/C=C/c2ccccc2)nc(N(C)CC(C)C)n1 40423302 VMAHMBCEBLBIKJ-OUKQBFOZSA-N 352.526 4.831 0 1 FJAF CCSc1nc(O)c2c(n1)N=C1CCCC(O)=C1[C@@H]2c1cccs1 104111314 IVDVMESICNQVCV-ZDUSSCGKSA-N 359.476 4.570 0 1 FJAF CC(=O)c1cc2c(o1)C[C@@H]1C=C[C@@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]1(C)C2 169319974 ZRESSCVMJGYKHQ-USNDHSFESA-N 354.490 4.577 0 1 FJAF OCc1ccc(-c2nc3cc(-c4nc5ccccc5s4)ccc3[nH]2)cc1 586895378 GDWOECCVQJHNBM-UHFFFAOYSA-N 357.438 4.999 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3nc(C)c(Br)cc3[nH]2)n1 587078853 CGFTZLWWTZMGOD-SSDOTTSWSA-N 368.666 4.517 0 1 FJAF CCOC(=O)[C@H]1CCCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587107669 SSSHIZXOCMOJEC-SFHVURJKSA-N 371.436 4.819 0 1 FJAF CCOc1cc(/C=C/c2nc3ccc(Cl)nc3[nH]2)ccc1OC(F)F 587130392 LKKNFPLQLTUACH-XBXARRHUSA-N 365.767 4.782 0 1 FJAF CC(C)(C)OC(=O)N1C[C@H](c2nc3cc4ccccc4cc3[nH]2)C(F)(F)C1 587132728 UBWDYSIQKQGPOI-CQSZACIVSA-N 373.403 4.686 0 1 FJAF Cc1c(Br)cc2nc(-c3cc(F)c(F)c(N)c3F)[nH]c2c1C 587136152 DENHDUPYIIDYLD-UHFFFAOYSA-N 370.172 4.609 0 1 FJAF O=C(O)c1ccc(F)c(-c2ccc(-c3nc4cccc(O)c4[nH]3)c(F)c2)c1 587138759 UPQAVAOMTYVSNP-UHFFFAOYSA-N 366.323 4.579 0 1 FJAF Fc1ccccc1[C@H](Nc1ccccc1)c1nc2ccnc(Cl)c2[nH]1 587148719 FIHYVYIPZZTCAW-INIZCTEOSA-N 352.800 4.952 0 1 FJAF Cc1c(Br)ccc2nc(CCC(=O)c3ccc(F)cc3)[nH]c12 587162160 HPACMDMLSYOPNE-UHFFFAOYSA-N 361.214 4.588 0 1 FJAF CCn1cccc1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587342811 PVXBWYCRSICCGO-IFMALSPDSA-N 365.404 4.627 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccccc1CCC(F)(F)F)O2 587383558 YTMJHBZATYWOPZ-IBGZPJMESA-N 363.379 4.953 0 1 FJAF COc1cc2c3c(c1)OC(c1ccsc1)(c1ccsc1)[C@@H](C2)C3=O 587450033 CYRXDEXNFSTKQQ-HNNXBMFYSA-N 354.452 4.509 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3c(C)cc(Cl)cc31)CC2=O 587462132 NMDKLCMMIAKZEO-OAQYLSRUSA-N 372.848 4.950 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)[C@@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587469681 OOSYPUNOZVDCOA-PSRGHPOCSA-N 357.450 4.640 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2cccc(F)c2CC[C@H]1C 587471978 NTSZIDRIBNMTFV-MCMMXHMISA-N 354.421 4.927 0 1 FJAF Cc1nc(Br)ccc1[C@@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587495628 FGJAVSNICYBGGI-KRWDZBQOSA-N 372.262 4.738 0 1 FJAF CCOC(=O)C[C@@]1(C2CCCCC2)CC(=O)c2ccc3c(c2O1)CCCC3 587522268 GWXIKTSYVMFQRT-HSZRJFAPSA-N 370.489 4.803 0 1 FJAF COc1nc2ccccc2cc1[C@H]1CC(=O)c2ccc3c(c2O1)CCCC3 587527336 SZLYEIYRTGLEJL-OAQYLSRUSA-N 359.425 4.829 0 1 FJAF CC(C)COc1cccc(OCc2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587566040 QTKJTRIDDVCIQO-UHFFFAOYSA-N 368.330 4.733 0 1 FJAF Cc1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(F)c1F 587721607 PVHSMNARBVFXBH-XLFHBGCDSA-N 370.212 4.798 0 1 FJAF Cc1cc([C@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587830714 UJPUXLYFIMWMHN-QGHHPUGFSA-N 352.247 4.596 0 1 FJAF O=C1CCC[C@@H]1[C@]1(C(F)(F)F)c2ccsc2CCN1Cc1ccco1 962708651 JIRDJCMPCPIWPW-SUMWQHHRSA-N 369.408 4.526 0 1 FJAF Cc1ccc([C@@]2(C3CCCCC3)NC[C@@H]3CC(=O)N(C)c4cccc2c43)cc1 963018594 DJWWHABCQDIRAZ-AVRWGWEMSA-N 374.528 4.872 0 1 FJAF C[C@@H](N)CN(C(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 1772581986 HCDNXZVCYFJHDC-SNVBAGLBSA-N 357.668 4.641 0 1 FJAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@@H](O)[C@@](C)(OC)CC1 1857654962 IXTZSRZHCVQVPJ-IRLDBZIGSA-N 360.494 4.609 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3cnc4ccccc4c3)nc2c1 1911585052 GCSMPRTWRFYOPQ-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC(=O)O[C@@H]1CCC(C)=CC=C(C(C)C)CC[C@](C)(O)[C@H]2CC[C@@]1(C)O2 2356506162 DPTKQCRAINPRHK-YUMYIRISSA-N 364.526 4.710 0 1 FJAF CC(=O)c1ccc(Nc2nc([C@@H](N)CCc3ccccc3)cs2)cc1 61903921 QWMMQXPCNPDWPY-SFHVURJKSA-N 351.475 4.722 0 3 FJAF O=C(N[C@H]1CCc2ccccc2C1)c1cc(-c2ccco2)nc2ccccc12 66166739 XKSOMIKEMSJFKO-SFHVURJKSA-N 368.436 4.782 0 1 FJAF O=C(O)c1ccc(CSc2nccc(-c3ccc(Cl)cc3)n2)cc1 102678638 OLZNOYDUCZWUAM-UHFFFAOYSA-N 356.834 4.788 0 1 FJAF COc1cc(N2CC[C@H](c3ccccc3Cl)C2=O)ccc1-c1cnco1 584629724 MTQMNLOKLUAAGN-OAHLLOKOSA-N 368.820 4.524 0 1 FJAF O[C@H]1C[C@@H](c2nc3ccc(OCc4ccccc4)cc3[nH]2)c2ccccc21 586903116 NKJGKHXYNBXKAF-KNQAVFIVSA-N 356.425 4.711 0 1 FJAF N=c1[nH]c(-c2cccc(-c3nc4cc(Cl)c(F)c(F)c4[nH]3)c2)cs1 587022546 YPNKZTKUDSRRKO-UHFFFAOYSA-N 362.792 4.698 0 1 FJAF CC(C)(C)c1ccc2nc([C@H]3CS[C@@H](Cc4ccccc4)N3)[nH]c2c1 587041372 NBLPUDWBBRSURB-MOPGFXCFSA-N 351.519 4.807 0 1 FJAF CC(=O)Nc1ccc(Cl)c(-c2nc3c(Cl)c(Cl)cnc3[nH]2)c1 587049301 GHGVCRJNQGHWMT-UHFFFAOYSA-N 355.612 4.544 0 1 FJAF Cc1ccc(Cc2nc3cc(-n4cccn4)c(F)cc3[nH]2)cc1C(F)(F)F 587095433 YQMLXCKIORLTNY-UHFFFAOYSA-N 374.341 4.806 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1ccc4c5c(cccc15)CC4)[C@@H](C2)C3=O 587446076 STCBQBHLSWMUOA-YADARESESA-N 356.421 4.610 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1csc(-c4ccc(C)cc4)n1)[C@@H](C2)C3=O 587453512 XAFWHIIZRVFOLN-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(C)n1-c1cccnc1)CC2=O 587470489 KFGXCXFOWNCYMG-OAQYLSRUSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@](c1ccc(N)cc1)(C(C)(C)C)CC2=O 587473105 QBGMFXNKEACRLP-JOCHJYFZSA-N 353.462 4.834 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCN([C@@H](C)c3ccccc3)C1)CC2=O 587474895 IEORWHDFKHOXIN-QMHKHESXSA-N 365.473 4.516 0 1 FJAF C[C@@]1(Cc2nc(-c3ccccc3)no2)CC(=O)c2ccc3c(c2O1)CCCC3 587528475 ZTZQKGLBUXGENI-QHCPKHFHSA-N 374.440 4.582 0 1 FJAF O=C1C[C@](c2ccccc2)(C2CCOCC2)Oc2c1ccc1c2CCCC1 587535803 OARFTEIGRUGRBI-DEOSSOPVSA-N 362.469 4.853 0 1 FJAF CC(C)c1cnc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611338 HZYOPNXIPVAYDT-VQIMIIECSA-N 367.426 4.675 0 1 FJAF COc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1C 587808444 QEJIYXGOWPONTC-ADLMAVQZSA-N 364.258 4.529 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3occc23)N1 587826994 HTPYGDHJMXNONW-MGNBDDOMSA-N 360.226 4.958 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2scnc2C2CC2)N1 587852365 FWNAYTJNYFQLNL-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF CCC(=O)N(C[C@@H]1CCCCN1CCc1ccccc1)c1ccccc1 653777929 ULYBJDQUZYCJLM-QFIPXVFZSA-N 350.506 4.527 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1c(-c3cccnc3)[nH]c3ccccc13)NCC2 962304227 ZJECVTZHAJULRB-QHCPKHFHSA-N 357.432 4.913 0 1 FJAF COc1ccc2c(c1OC)[C@](C)(CSc1ccccc1)N(C)[C@@H](C)C2 962632083 OOGKPFHEOHXFNM-BTYIYWSLSA-N 357.519 4.588 0 1 FJAF O=c1ccc2ccc(OC[C@@H]3CC(c4cccc5ccccc45)=NO3)cc2o1 1772609782 KAWSYZJKKHBWBB-SFHVURJKSA-N 371.392 4.518 0 1 FJAF C[C@@H]1CC[C@]2(C)C(OC(=O)CC(=O)O)=CCC[C@H]2[C@]1(C)CCc1ccoc1 2356598432 PPQVAHQHYRDJTI-HKHXBQBMSA-N 374.477 4.967 0 1 FJAF COc1cc(-c2cnc3cnc(-c4cccc(C(C)C)c4)cn23)ccc1O 2382234928 PXGRJHURVHZEJJ-UHFFFAOYSA-N 359.429 4.901 0 1 FJAF CNC(=O)c1csc(Cc2c(Cl)sc3ccc(Cl)cc23)n1 1040544 KHSGNYVKOYPHGT-UHFFFAOYSA-N 357.287 4.615 0 3 FJAF O=C1CCC2(CCC(c3ccccc3)CC2)N1CC[C@@H](O)c1ccccc1 205707443 SRBUSFKMXFBEDZ-DJSMFCCRSA-N 363.501 4.829 0 3 FJAF CC(C)CCNC(=O)c1c(-c2ccc(F)cc2)noc1-c1ccccc1 773808 HDMIULCLCZNBLG-UHFFFAOYSA-N 352.409 4.924 0 1 FJAF Cc1cc2c(NC(=O)NCc3ccc(Cl)c(Cl)c3)cccc2nn1 13608754 YSHYHGSBJWRAQZ-UHFFFAOYSA-N 361.232 4.567 0 1 FJAF CN(C)Cc1ccc2n1Cc1ccccc1S[C@H]2c1ccc(F)cc1 13799834 BNYCBMXEHRYBIC-NRFANRHFSA-N 352.478 4.932 0 1 FJAF CCc1ccc2c(c1)c(OC)c(CC)c1nc(C(=O)c3ccccc3)cn12 28229910 PRNVNHOPFKQPSW-UHFFFAOYSA-N 358.441 4.852 0 1 FJAF CN(C)CCOc1ccc(-c2cncc(-c3cc4cc(O)ccc4[nH]3)c2)cc1 40380502 UVABJXNRIPDKAK-UHFFFAOYSA-N 373.456 4.543 0 1 FJAF CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C4(CC4)C[C@H]3[C@@H]1CC[C@@]21C=CC(=O)O1 43206067 WLZJZUASQWXOGD-KAFBVOGGSA-N 366.501 4.760 0 1 FJAF Cc1ccc(N2C(=O)CS[C@@H]2c2cc3ccccc3nc2Cl)cc1 103194974 MTYCQXWZZWIBGI-LJQANCHMSA-N 354.862 4.975 0 1 FJAF O=C(Nc1cccc(F)c1)N1CC(Oc2ccc(-c3ccccc3)cc2)C1 114003402 HFEFMQVTVZOJLC-UHFFFAOYSA-N 362.404 4.788 0 1 FJAF COc1ccc(Oc2nccc([C@H](C#N)c3nc4ccccc4s3)n2)cc1 116418639 DOJMTDCTCJKZNL-HNNXBMFYSA-N 374.425 4.543 0 1 FJAF CCO[C@@]1(C)[C@H](O)CC[C@@H]2[C@@](C)(CC/C(C)=C/CO)[C@H](C)CC[C@]21C 238768360 RBLSOOWMEDZHMU-DPJIJANLSA-N 352.559 4.714 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@H]1C/C(=C\c1cccnc1)[C@@H]2O 299869960 FCVLVYMOBDNAMK-VXELWUQJSA-N 361.485 4.698 0 1 FJAF in-vivo Nc1ccc(-c2ccc3nc(CNc4ccccc4Cl)[nH]c3c2)cc1N 587061745 JOJMCKSOSXUVLW-UHFFFAOYSA-N 363.852 4.660 0 1 FJAF Cc1ccc2c(ccc3nc([C@@H](N)Cc4cccc(C(F)(F)F)c4)[nH]c32)n1 587112383 GJNVNLHUQNVPFY-HNNXBMFYSA-N 370.378 4.681 0 1 FJAF O=C1c2ccccc2-c2cc(CCc3ccc(O)cc3)nc3cccc1c23 587206133 HGXBLJCFEUKESR-UHFFFAOYSA-N 351.405 4.937 0 1 FJAF Cc1csc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@H]2c2ccc(F)cc2)n1 587375269 LZQPDFJFNPJPPF-YLJYHZDGSA-N 369.417 4.571 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1OC(F)(F)C(F)F)O2 587381156 CHXVYYJEOQETCE-OAHLLOKOSA-N 369.314 4.520 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](c1ccccc1)(c1ccc(N(C)C)cc1)O2 587386415 IZUJLSLCKZQTQQ-DEOSSOPVSA-N 372.468 4.552 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(C3CCCCC3)nc1)CC2=O 587492034 VZUQGELRWPFXLZ-FQEVSTJZSA-N 366.461 4.889 0 1 FJAF C[C@]1(c2cccnc2Br)CC(=O)c2ccc3c(c2O1)CCCC3 587499714 UTGROIZCPWMCIY-LJQANCHMSA-N 372.262 4.604 0 1 FJAF COc1cc(Cl)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1OC 587507610 RLKAPUJZAUAILQ-SFHVURJKSA-N 372.848 4.943 0 1 FJAF O=C1C[C@H](c2cnn(C3CCCCC3)c2)Oc2c1ccc1c2CCCC1 587516612 DKWCELLDTLQPRF-OAQYLSRUSA-N 350.462 4.974 0 1 FJAF CC(C)[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587614103 RANJVEADFJWDQY-WIYYLYMNSA-N 366.438 4.967 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C(=O)OC)c(C(=O)c3ccc(F)cc3)c2c1 587642416 NLMNGXQPFSNLPE-GFCCVEGCSA-N 353.393 4.838 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cnc(C3CC3)s2)N1 587852609 HPRNVOFTGRMRQW-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF NC[C@@H]1C[C@H](c2ccccc2)CC[C@]12c1ccc(F)cc1C[C@H]1CCCN12 963103422 LBLRKFKTEOHWLS-USHXRURQSA-N 364.508 4.584 0 1 FJAF c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc[nH]c5c4)c23)cc1 1772635357 KLCTWPGEFCWMHD-UHFFFAOYSA-N 362.396 4.512 0 1 FJAF CCCCCCN1C(=O)[C@H]2C3c4ccccc4C(C)(c4ccccc43)[C@H]2C1=O 1857561451 IDONKHMTHFSOMG-ZKKFKWFVSA-N 373.496 4.633 0 1 FJAF CCCCCc1cc(O)c2c(c1)OC(C)(C)C1=C2[C@H](O)[C@@](C)(OC)CC1 1857654964 IXTZSRZHCVQVPJ-UNMCSNQZSA-N 360.494 4.609 0 1 FJAF COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)CCC[C@]4(O)[C@@H]3CC[C@@]2(C)C1 2356317300 FALJCKNYMNNQLF-DAKQKNLNSA-N 350.543 4.913 0 1 FJAF NCc1c(N)nc2c(c1-c1ccc(Cl)cc1Cl)CCc1ccccc1-2 3817017 ZUZZVZADKOWQDN-UHFFFAOYSA-N 370.283 4.862 0 1 FJAF CCCN(CCC)c1cc(C)nc2c(-c3cnc(C)cc3C)c(C)nn12 13583121 POQVTQKEODEAOZ-UHFFFAOYSA-N 351.498 4.651 0 1 FJAF C#CSCC[C@]12CCC(=O)C=C1CC[C@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 14947085 UYDMBIPEVBFZKB-JZZBYWGLSA-N 354.515 4.702 0 1 FJAF Cc1cccc(NC(=O)c2c(C)n(-c3cccc(C)c3C)c(C)cc2=O)c1C 28767032 QZKDSFYJIQEVDD-UHFFFAOYSA-N 374.484 4.940 0 1 FJAF O=c1ccc2c(-c3ccc(F)cc3F)nccc2n1-c1ccccc1Cl 36988455 YBJHGWIVFMBWOO-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF CC(C)CNC(=O)/C=C/C=C/CCC/C=C/Cc1ccc2c(c1)OCO2 38873528 NBFXSGACKULILT-CAPISXRISA-N 355.478 4.569 0 1 FJAF biogenic,in-vitro Cc1c[nH]c2c(Nc3cccc(Cl)c3)ncc(C(=O)N3CCCCC3)c12 45334580 UAZJIHKIKOFYKU-UHFFFAOYSA-N 368.868 4.894 0 1 FJAF O=C(O)c1cccc2c(=O)cc(-c3ccc(Oc4ccccc4)cc3)oc12 58583943 BIMVSKOKCKSLBJ-UHFFFAOYSA-N 358.349 4.951 0 1 FJAF O=C(c1ccccc1)N1CC[C@](O)(c2ccc(Cl)cc2)[C@H]2CCCC[C@@H]21 71329486 DQBVQHBOYSYMMV-ONTIZHBOSA-N 369.892 4.633 0 1 FJAF CSc1ccc(C[C@]2(O)c3ccccc3-c3nc4ccccc4n32)cc1 72124947 CWCMCJNMAZYVNE-QFIPXVFZSA-N 358.466 4.675 0 1 FJAF CC(=O)[C@H]1CC[C@@]2(O)[C@@H]3CC[C@H]4C[C@H](C(C)=O)CC[C@]4(C)[C@H]3CC[C@]12C 118935089 UOFFWLNONNOOOK-MFHRBDBFSA-N 360.538 4.554 0 1 FJAF Cc1cc2c3ccccc3cc(CCc3nc(-c4ccccc4)cn3C)n2n1 299824350 BWAVCWOIDAVRCM-UHFFFAOYSA-N 366.468 4.982 0 1 FJAF Cc1oc(C(C)(C)C)cc1C(=O)N[C@@H](CC(=O)O)c1ccc(C(C)C)cc1 299855734 FXCLQYZAEAKOQB-SFHVURJKSA-N 371.477 4.955 0 1 FJAF Cc1nc(C2CC2)sc1-c1nc2cc(Br)c(F)cc2[nH]1 587012652 QKOCSFIHKMWXNQ-UHFFFAOYSA-N 352.232 4.774 0 1 FJAF Oc1nccc2nc(-c3cccc(CSc4cc(F)ccc4F)c3)[nH]c12 587141395 QIIWQQRFVCWBAT-UHFFFAOYSA-N 369.396 4.901 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cnc(-c3ccc(F)cc3)s1)O2 587384385 LDEFSWZGOJLJDS-MRXNPFEDSA-N 354.406 4.546 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1cccc(Cl)c1F)(C(C)C)[C@@H](C2)C3=O 587426823 QHHFOLVMOFFAED-VBKZILBWSA-N 360.812 4.787 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(O)cc4)s1)[C@@H](C2)C3=O 587448657 ATQYLAKOJILLNY-YCRPNKLZSA-N 364.422 4.618 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1sc(C)nc1-c1ccccc1)[C@@H](C2)C3=O 587453204 VYLDBUQWABGLIP-YWZLYKJASA-N 363.438 4.616 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)[C@H](F)C(F)(F)F)CC2=O 587463392 YQUVIASXNHDAFT-KBPBESRZSA-N 370.289 4.604 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)[C@H](N=O)[C@H]2CC[C@]1(C)C2(C)C 587469675 OOSYPUNOZVDCOA-CVDLLHPYSA-N 357.450 4.640 0 1 FJAF COc1ccc(CC[C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(C)c1 587526391 SPUGTKIYBYOLIR-IBGZPJMESA-N 350.458 4.849 0 1 FJAF Cc1c(-c2cc(F)cc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587649920 MYVQVJCOQPUXMS-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=CC=CC=C2Cl)N1 587702663 DTXSWCLSLALCFJ-QFYYESIMSA-N 354.650 4.566 0 1 FJAF CC[C@]1(c2ccc(F)cc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587733807 SLKCZWNSESFTOY-BBATYDOGSA-N 366.249 4.915 0 1 FJAF Cc1ccc2c(c1)[C@@]1(CC2)N[C@@H](C)Cc2cc(Br)c(F)cc21 587816716 BYUFCBUKYKPFQH-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF Cc1onc(-c2ccccc2)c1C(=O)n1nc2cc1Oc1ccc(F)cc1-2 587873150 CSYLJKBWEVFKCF-UHFFFAOYSA-N 361.332 4.447 0 1 FJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(Br)c2[nH]1 587931120 QTHORYJRHWGEPK-XIKOKIGWSA-N 357.251 4.779 0 1 FJAF CN(C)C(=O)c1ccc2nc(Cc3cccc(-c4ccccc4)c3)[nH]c2c1 587960866 GDLMIWNLHWLDBJ-UHFFFAOYSA-N 355.441 4.523 0 1 FJAF FC(F)(F)Oc1cc(Br)cc2nc([C@@H]3C[C@H]4C=C[C@@H]3C4)[nH]c12 587966261 CAIZQRCMSVWPCW-QXFUBDJGSA-N 373.172 4.904 0 1 FJAF COc1cc2c(O)c(C)c(C)c(-c3ccc4c(c3)OCO4)c2cc1OC 685935660 BZJKHNHRCIQQGH-UHFFFAOYSA-N 352.386 4.575 0 1 FJAF biogenic,in-vitro COc1ccc(CC[C@]2(C3CCCC3)NCCc3ccc(O)cc32)cc1 963327875 AYDGKGHXSJYQBS-HSZRJFAPSA-N 351.490 4.565 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1ccnc2cc(Br)ccc12 1857750345 DKJKAGVHIMKZEH-UHFFFAOYSA-N 361.626 4.903 0 1 FJAF COc1cccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)N=Cc3cccn32)c1 2382258352 JIMJVDUQIPZVJC-UXHICEINSA-N 364.832 4.748 0 1 FJAF CCCCNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(C(C)C)cc1 4049540 HXZLJCATZNHKNB-IRLDBZIGSA-N 364.489 4.818 0 1 FJAF C[C@@H](C(=O)O)N(Cc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1 10450447 JJOYQEFIAHUYNK-NSHDSACASA-N 367.232 4.501 0 1 FJAF COc1ccc2c(c1)CC[C@@H](CCN1CCC(c3ccccc3)CC1)C2=O 13588377 HRMMILVLHGLQCI-FQEVSTJZSA-N 363.501 4.710 0 1 FJAF CN[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2OC)c2ccc(OC)cc21 13835648 KQOFXEMMGRSCEY-CZUORRHYSA-N 352.261 4.807 0 1 FJAF COc1cc2oc(-c3ccc(O)cc3O)c(C=O)c2c(O)c1CC=C(C)C 15148894 PXSWSGDFRGTMGP-UHFFFAOYSA-N 368.385 4.546 0 1 FJAF biogenic CC[C@@]1(CC(=O)O)OC[C@H](CCc2ccccc2)c2c1[nH]c1ccccc21 26279794 OKYZYOJSCGIDNM-SBUREZEXSA-N 363.457 4.995 0 1 FJAF FC(F)(F)c1nnc2c(NC3CCCCC3)nc3ccc(Cl)cc3n12 26378128 BWCYPWZIGFIYCI-UHFFFAOYSA-N 369.778 4.694 0 1 FJAF COc1cc(C(=O)c2ccc(-c3cccs3)s2)cc(OC)c1OC 40424175 SZOCRGIHSPGZSJ-UHFFFAOYSA-N 360.456 4.733 0 1 FJAF Fc1ccc(CNC[C@@H]2CCC[C@@H](CNCc3ccc(F)cc3)C2)cc1 45357519 NZVBGJYITVMAHM-WOJBJXKFSA-N 358.476 4.651 0 1 FJAF COc1ccc(Cl)cc1C(=S)Nc1cc(C(F)(F)F)ccc1O 84733273 VQMRVVYEMAORPN-UHFFFAOYSA-N 361.772 4.861 0 1 FJAF CC(C)OC(=O)[C@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@H]2CC[C@H]1N2C 100958527 ARDZHBGLAMKFGJ-KFZJALRRSA-N 356.293 4.511 0 1 FJAF CCO/C(O)=C1\C(C)=NC(S)=N[C@@H]1c1cc(C(C)C)c(OC)cc1C 103890833 CMWZPOHXEMTNDE-GROYHEBESA-N 362.495 4.735 0 1 FJAF CS[C@H]1S[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H]2CC(C)(C)CC(=O)[C@@H]12 169369484 OGPGSYNCKSLJOF-UOJCXKCYSA-N 368.951 4.949 0 1 FJAF Cc1cccc2nc(C[S@](=O)C(c3ccccc3)c3ccccc3)[nH]c12 586959052 IGJYBGAQXAAXMF-SANMLTNESA-N 360.482 4.910 0 1 FJAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(C(F)(F)F)cc2[nH]1 587071253 YCGSKGQPHGSHOH-LLVKDONJSA-N 353.775 4.520 0 1 FJAF C[C@H]1C[C@@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 587122912 FISVXOHVDXXVMD-KGFZYKRKSA-N 373.741 4.526 0 1 FJAF Cc1c(-c2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)sc2ncnn12 587208289 NYMPMPATPALYRO-UHFFFAOYSA-N 368.421 4.526 0 1 FJAF C=CC(=O)Nc1ccc(-c2nc3cc(OCc4ccccc4)ccc3[nH]2)cc1 587244005 KRXSBQGGBDMUQH-UHFFFAOYSA-N 369.424 4.933 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](c1ccc(Br)cc1)(C1CC1)O2 587370019 ALJSVEVDDKBSGJ-IBGZPJMESA-N 372.262 4.610 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccccc4)cc1F)[C@@H](C2)C3=O 587426451 NZCNJNIJMIRBTK-FDDCHVKYSA-N 360.384 4.990 0 1 FJAF CCCCCOc1cccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)c1 587443995 XRLPOLINMAIVEG-XMSQKQJNSA-N 352.430 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@](Cc1ccncc1)(c1ccccc1)CC2=O 587488231 HYBPMJLIVFTUKO-DEOSSOPVSA-N 373.452 4.843 0 1 FJAF CC1(C)C[C@]2(CC(=O)c3ccc4c(c3O2)CCCC4)c2cc(N)ccc2O1 587510522 LBEHQKGKHNKTFF-HSZRJFAPSA-N 363.457 4.569 0 1 FJAF Cc1ccc(-n2cccn2)c([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1 587517598 QLRYAQZLOJCSIV-JOCHJYFZSA-N 358.441 4.766 0 1 FJAF CSCc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587842226 DBRRJDJSHGAZDU-FVMDXXJSSA-N 370.287 4.668 0 1 FJAF CC[C@H](c1ccc(OC)c(OC)c1)c1nc2cc(Cl)c(Cl)nc2[nH]1 587927477 RKFUBIDXWVUUQW-SNVBAGLBSA-N 366.248 4.824 0 1 FJAF Cc1cc2c(cc1F)[C@@H](c1ccc(OC(F)F)cc1OC(F)F)NCC2 962095314 WSEIFMMEKXNHLJ-MRXNPFEDSA-N 373.321 4.572 0 1 FJAF COc1ccc([C@@H]2NCCc3ccc(F)c(C)c32)cc1O[C@H]1C=CCCC1 962296264 FVSBGAFITVVZLN-MBSDFSHPSA-N 367.464 4.865 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]12CCCOc1ccc(OC)cc12 963234983 RPOBPRROXLMYFT-UZUQRXQVSA-N 351.490 4.768 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@@]2(C)[C@@H]1Cc1occ(C)c1[C@@H]2OC(C)=O 2356497250 HLYBLRRKNWNJDY-WEFHHRQASA-N 374.477 4.679 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H](OC(C)=O)C(C(C)C)=CC3=CC[C@H]12 2356549864 KTQALDLKCGBREQ-DKQPQCJKSA-N 374.521 4.836 0 1 FJAF COc1ccc(C(=O)Nc2ccccc2[C@@H](C)CN2CCCCC2)cc1 896518 VOVAEUFPROBLAL-KRWDZBQOSA-N 352.478 4.537 0 1 FJAF CCc1nc2c(-c3ccc(OC)nc3C)ccnc2n1[C@H](CC)C1CC1 13487171 MOELLDVFCGIHRI-QGZVFWFLSA-N 350.466 4.734 0 1 FJAF Cc1ccc2c(c1)[C@H](N1CCN(C)C(C)(C)C1)C[C@H]2c1ccc(F)cc1 22938062 QMRDYJDBHVLYNI-RBBKRZOGSA-N 352.497 4.737 0 1 FJAF CCOC1(OCC)[C@H]2c3ccccc3[C@H]([n+]3ccccc32)C1(CC)CC 27517616 PTYZTAQVAYKDIW-SFTDATJTSA-N 352.498 4.598 0 1 FJAF CCC(=O)N(c1cc(Cl)c(Cl)c(Cl)c1)[C@H]1CCC[C@H]1N(C)C 28238657 NPZHJKWPFOHQLU-KGLIPLIRSA-N 363.716 4.873 0 1 FJAF O=C(Nc1ccc(Cl)cc1)c1ccccc1Cn1ccc2cccnc21 28571974 IHVQLUQABNAWJT-UHFFFAOYSA-N 361.832 4.990 0 1 FJAF COc1ccc(C2=C(c3cccc(Cl)c3)C(=O)N3CCC[C@H]3C2)cc1 28949744 XWFJPZQCYRCLER-KRWDZBQOSA-N 353.849 4.654 0 1 FJAF CCCCc1oc2ccccc2c1C(=O)c1ccc(OCCNCC)cc1 39649521 HEPAWQLOFNBDPR-UHFFFAOYSA-N 365.473 4.995 0 1 FJAF CCC[C@@H]1CCCN(C(=O)c2cnc(Nc3ccc(C)nc3)c(Cl)c2)C1 45340208 SZTSAJHGMRUJJW-OAHLLOKOSA-N 372.900 4.834 0 1 FJAF Cc1ccc(NC(=O)[C@H]2Cc3ccccc3N2C(=O)OC(C)(C)C)cc1C 58603159 QHVPSIYYDYZSAO-LJQANCHMSA-N 366.461 4.608 0 1 FJAF Fc1ccc(-c2nc(CNCc3ccccc3OC(F)(F)F)co2)cc1 72184343 MDLNDIRLANUKNW-UHFFFAOYSA-N 366.314 4.669 0 1 FJAF O=c1cc(COc2cc(Cl)cc(Cl)c2)[nH]n1-c1ccc(Cl)cc1 95554658 BBXZKJXDOOJLCF-UHFFFAOYSA-N 369.635 4.705 0 1 FJAF COC(=O)C1=C(C)Oc2ccc3ccccc3c2[C@H]1c1ccccc1OC 103232702 SQCQHTGZCGDGSR-QFIPXVFZSA-N 360.409 4.820 0 1 FJAF Cc1ccsc1-c1c2c(nn1C)CCc1cnc(Nc3ccccc3)nc1-2 141186382 JEMKMZSBLBHIRT-UHFFFAOYSA-N 373.485 4.756 0 1 FJAF CCCC[C@@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169324019 HOHXBRMZBXKVJW-HQURUJILSA-N 352.515 4.894 0 1 FJAF CCN(CC)CCOC(=O)C1(c2cccc3ccccc23)CCCCC1 238749150 SEJIFAXNKXGESM-UHFFFAOYSA-N 353.506 4.927 0 1 FJAF Cc1oc2c(c1-c1nc3cc(F)cc(Br)c3[nH]1)C(=O)CCC2 586902533 BKXWAXYOWIAZKH-UHFFFAOYSA-N 363.186 4.552 0 1 FJAF COc1cc(F)ccc1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586988173 FXJAWPKOKJCGBI-UHFFFAOYSA-N 371.367 4.967 0 1 FJAF Fc1cnc(Cl)c2[nH]c(-c3nc(Br)sc3C3CC3)nc12 587013496 YLZDQVRKAGBOEV-UHFFFAOYSA-N 373.638 4.514 0 1 FJAF CSc1ccc2[nH]c(-c3ncc(NC(=O)OC(C)(C)C)s3)nc2c1 587023586 MRDQTGYVWDXNEQ-UHFFFAOYSA-N 362.480 4.755 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2cnc(C(F)(F)F)[nH]c-2n1 587061292 CYVPJWKUVFVALI-SNVBAGLBSA-N 356.735 4.507 0 1 FJAF COc1c(F)cc(-c2nc3ccc(C(=O)c4ccccc4)cc3[nH]2)cc1F 587135246 WVEWXCACGLUUFP-UHFFFAOYSA-N 364.351 4.748 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cc3ccccc3)ccc1O)O2 587402727 BSIBZRAYMMZASB-QFIPXVFZSA-N 359.425 4.580 0 1 FJAF CCCC[C@@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455927 RAGPZELKLDIERO-JLDZCNIISA-N 358.478 4.577 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cnc(Cl)cc1Cl)CC2=O 587460719 JEJFJGJXONMPHY-HNNXBMFYSA-N 352.217 4.753 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](c1ccccc1N)(C1CCCC1)CC2=O 587473086 PSQQIUYDQVRMBY-HSZRJFAPSA-N 365.473 4.978 0 1 FJAF C[C@]1(c2ccc(F)cc2F)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587569297 PVTPKOWJCPXIHO-WIYYLYMNSA-N 368.335 4.547 0 1 FJAF Cn1ccc2ccc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)cc21 587580515 YLQMEVSGEWNSDF-NZQKXSOJSA-N 371.392 4.587 0 1 FJAF CC(=O)c1c(-c2ccccc2F)[nH]c2c1c(Br)cc1n[nH]cc12 587623157 ZTLKVIYHDBGQDI-UHFFFAOYSA-N 372.197 4.815 0 1 FJAF Cc1cc(F)ccc1[C@]1(C)N[C@H](C)Cc2ccc(F)c(Br)c21 587725979 HCGRWQSCAHPRMH-ZMZPIMSZSA-N 366.249 4.833 0 1 FJAF CCOc1ccc([C@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)cc1 587803512 WWFJYSKBICKTCS-BBATYDOGSA-N 364.258 4.611 0 1 FJAF Cc1cccc2c1CC[C@@]21N[C@@H](C)Cc2ccc(F)c(Br)c21 587816874 FFUGFBMWCUOVGR-HXPMCKFVSA-N 360.270 4.621 0 1 FJAF Cc1cc([C@@]2(C)N[C@H](C)Cc3ccc(F)c(Br)c32)oc1C 587830711 UJPUXLYFIMWMHN-BMLIUANNSA-N 352.247 4.596 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2csc(Cl)c2)N1 587850297 YLFNLHWQQMDLMB-NXSYQRQQSA-N 360.679 4.927 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1ccc(OC)nc1 587860472 UYEZBNHUFJBILF-UHFFFAOYSA-N 364.232 4.648 0 1 FJAF Brc1ccc2nc(COC34CC5CC(CC(C5)C3)C4)[nH]c2c1 587950820 NWYSOSRBLKGQCK-UHFFFAOYSA-N 361.283 4.811 0 1 FJAF c1ccc(-c2ccc3c(c2)CCN[C@H]3c2cccn2C[C@H]2CCCO2)cc1 962658191 CCSCICKFZNPXFR-ZJSXRUAMSA-N 358.485 4.569 0 1 FJAF Cc1ccc([C@]2(C3CCCC3)NC[C@H]3CC(=O)N(C)c4cccc2c43)c(C)c1 963030413 QUDAMLAMABDRGS-CJAUYULYSA-N 374.528 4.791 0 1 FJAF CC(C)[C@@H]1c2c(n[nH]c2-c2ccccc2)Oc2nc3c(c(N)c21)CCCC3 1772577427 FQOPPBCANCFCSJ-INIZCTEOSA-N 360.461 4.826 0 1 FJAF Cc1ccsc1C1(N(C)C)CCC2(CCN(C(=O)CC(C)C)C2)CC1 1857572582 JMDXYPSUGVCCHS-UHFFFAOYSA-N 362.583 4.652 0 1 FJAF O=C1N[C@H]2SC(Cl)=C[C@@H]2C(O)=C1c1cccc(Oc2ccccc2)c1 1857649933 KTLCGSSBJQEBJF-KUHUBIRLSA-N 371.845 4.647 0 1 FJAF CC(C)=C[C@@H](CC(C)=CCCC(C)=CCO)S(=O)(=O)c1ccccc1 2356329034 QFDXZSAOHRHYSQ-NRFANRHFSA-N 362.535 4.850 0 1 FJAF COc1ccc2c(Sc3ccc(C)cc3)c(C(=O)NC(C)C)[nH]c2c1 6798906 ZLEHAYWWSRMUNJ-UHFFFAOYSA-N 354.475 4.774 0 1 FJAF O=C(Nc1c(C(=O)N2CCCCCC2)oc2ccccc12)C1CCCCC1 9265637 OPEWFFOLUUGYHP-UHFFFAOYSA-N 368.477 4.968 0 1 FJAF CN(CCc1ccccc1)C(=O)Cc1ccc(OCc2ccccc2)cc1 13758631 GDDXKXCKJOLHRY-UHFFFAOYSA-N 359.469 4.509 0 1 FJAF CC(C)[C@@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2c2[nH]c3ccccc3c21 18252170 FYPLYVPUIGBRQE-QKLQHJQFSA-N 358.441 4.584 0 1 FJAF COc1ccc2nc(-c3n[nH]cc3/C=C/c3cncc4ccccc34)[nH]c2c1 28896756 FCHLWRKNJFORCX-VOTSOKGWSA-N 367.412 4.680 0 1 FJAF C=CC(=C)CC[C@@H]1[C@H](C)CC[C@@H]2[C@]1(C)CC[C@@H](OC(C)=O)[C@]2(C)C(=O)O 32062457 PXWLSCYJIIZCHG-CUNINHPHSA-N 362.510 4.994 0 1 FJAF biogenic Cc1nn2c(-c3nc4ccc(Cl)cc4[nH]3)c(-c3ccccc3)nc2s1 473114635 OALNUSVXQFFZLQ-UHFFFAOYSA-N 365.849 4.963 0 1 FJAF CCOC(=O)c1ccc2nc(-c3ccc(C(F)(F)F)cc3F)[nH]c2c1 587109456 KFTFEILVWUZJCG-UHFFFAOYSA-N 352.287 4.565 0 1 FJAF COc1cncc2nc(/C=C\c3ccc(SC(F)(F)F)cc3)[nH]c12 587126216 WDYYRXXZUQLLPU-DAXSKMNVSA-N 351.353 4.749 0 1 FJAF Fc1ccc(/C=C/c2nc3c(Br)cnc(Cl)c3[nH]2)c(F)c1 587149655 OZEWNGYXDUCNAX-DUXPYHPUSA-N 370.584 4.822 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(-c3ccccc3Cl)nc1)O2 587378882 RDQQLOMWUGPPRE-HXUWFJFHSA-N 364.832 4.999 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cc(Cl)nc1Cl)[C@@H](C2)C3=O 587419447 FAQZHFQXLNHWAQ-AYVTZFPOSA-N 370.619 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@](c1ccc(Cl)cc1F)(C(C)C)[C@@H](C2)C3=O 587425228 AMIOREKEHBSNMU-YWZLYKJASA-N 360.812 4.787 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccc(C(F)(F)F)c1O)CC2=O 587462769 SNKGYPWVNRYLCN-MRXNPFEDSA-N 366.335 4.776 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2-c2cc(N)ccc21 587468187 BWVWKEARLKGXLK-DEOSSOPVSA-N 371.436 4.816 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(C[C@@H](C)CCC)CC1)CC2=O 587478330 SBEFPFVWONDLMY-INIZCTEOSA-N 359.510 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(OCC3CC3)cc1)CC2=O 587482697 VDDGSFBUSNBKHR-OAQYLSRUSA-N 352.430 4.840 0 1 FJAF C[C@@H](C[C@@]1(c2ccccc2)CC(=O)c2ccc3c(c2O1)CCCC3)C(=O)O 587530490 VPYWLYYKDRAYHB-WNSKOXEYSA-N 364.441 4.537 0 1 FJAF Cc1ccc([C@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c(F)c1 587553045 FCBXJSRUWQBHIU-KNQAVFIVSA-N 364.372 4.717 0 1 FJAF Cc1cccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1F 587728228 RNVATCKDUGXQGP-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@@H]2C[C@H]2c2ccccc2)N1 587818726 IZOONKPSPUWBJM-ZSSKPJBNSA-N 360.270 4.967 0 1 FJAF CSCc1ccc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)o1 587845566 NKLKYTHPIIRODN-JDNHERCYSA-N 370.287 4.668 0 1 FJAF O=C(Nc1ccc(C(F)(F)F)cc1)c1cccc2nc(CC3CC3)[nH]c12 587959006 KGNANRBCCDEXCI-UHFFFAOYSA-N 359.351 4.787 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@](C)(c2nc3cc(C)c(C)cc3[nH]2)N1 962960114 VXRKCGMIWLPQHJ-WNSKOXEYSA-N 358.489 4.849 0 1 FJAF C[C@]1(c2ccc(N)cc2Cl)c2ccsc2CCN1Cc1cccnc1 962995626 NLDZMDZEWOUBRH-FQEVSTJZSA-N 369.921 4.701 0 1 FJAF CCOC(=O)[C@@H]1C[C@H](C(C)(C)C)C[C@]12c1ccc(F)cc1C[C@@H]1CCCN12 963105248 MXRCOQQFTZJCJQ-DMKCZBPRSA-N 373.512 4.677 0 1 FJAF Fc1cccc2c1[C@@H](c1cc(CN3CCCCC3)cs1)N1CCC[C@@H]1C2 963112333 OVZKXGSUPCGIPR-XMSQKQJNSA-N 370.537 4.983 0 1 FJAF CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@]4(C)[C@@H](OC(C)=O)CC[C@H]34)[C@@]2(C)CC1 2356460661 FKDRTPPOFBKQAT-WBIUVFFSSA-N 374.521 4.813 0 1 FJAF COC(=O)CC[C@]12[C@H]3CCC[C@@]34CC[C@@H]3C[C@]1(C)CC[C@@H]1[C@H](C)CN([C@@H]34)[C@H]12 2356468842 SBZSORFWYJGMHS-PEEANICJSA-N 371.565 4.645 0 1 FJAF CCOc1ccccc1-c1ccc(C(=O)NCc2ccc(Cl)cc2)o1 72120599 QZDVWPIZUIEOPH-UHFFFAOYSA-N 355.821 4.929 0 3 FJAF COc1ccc([C@H]2[C@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822825 RTXIBZMHCIEZDT-REWPJTCUSA-N 356.425 4.669 0 1 FJAF COc1ccc2c(c1CC=C(C)C)O[C@@H](c1ccc3c(c1)OCO3)CC2=O 14819263 NNVYSMQXBRNCKE-HXUWFJFHSA-N 366.413 4.639 0 1 FJAF biogenic COc1ccc(-n2c(SC)nc3sc(C(C)C)c(C)c3c2=O)cc1 28948966 JBVYEYQHIGTXSO-UHFFFAOYSA-N 360.504 4.610 0 1 FJAF Clc1ccc(CN2CCC(NC34CC5CC(CC(C5)C3)C4)CC2)cc1 40394948 RFQWOEYYEIRCHO-UHFFFAOYSA-N 358.957 4.863 0 1 FJAF CN(C)Cc1nc(O)c2sc3ccc(-c4cccc(Cl)c4)cc3c2n1 45316946 CDTJUEGCVWKCSA-UHFFFAOYSA-N 369.877 4.932 0 1 FJAF COc1ccccc1Cc1ccc2sc(-c3ccnc(N)n3)c(C)c2c1 49050712 WTZGRUBUIGZYJG-UHFFFAOYSA-N 361.470 4.848 0 1 FJAF Cc1ccc(C(=O)NC(C)C)cc1-c1ccc2c(c1)NC(=O)C21CCCC1 72109865 WMHJTATUVGNFOU-UHFFFAOYSA-N 362.473 4.564 0 1 FJAF COc1ccc(CNc2ccc3ncc(-c4ccc(Cl)cc4)n3n2)cc1 145608356 RVVHLBCZPBEOJR-UHFFFAOYSA-N 364.836 4.670 0 1 FJAF Cc1cc(N2CC[C@H](N3CCC[C@H]3C)C2)ccc1NC(=O)C1CCCCC1 299847641 KARKKBOPJCCXQK-NQIIRXRSSA-N 369.553 4.577 0 1 FJAF CCSC[C@@H](Cn1cnc2ccccc21)C(=O)c1ccc(Cl)cc1 473108246 LLLSXFGULSUVFY-OAHLLOKOSA-N 358.894 4.942 0 1 FJAF O=C(O)/C=C/c1ccccc1-c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 586878296 CGDYDXDXADQVDU-AATRIKPKSA-N 366.726 5.000 0 1 FJAF Oc1cccc(CCCCc2nc3cc(Br)cc(F)c3[nH]2)c1 586896504 SADQNWAHLNLGGH-UHFFFAOYSA-N 363.230 4.736 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3csc(-c4ccc(C)o4)n3)nc2c1 587017436 WQJBMODYTBVYSO-UHFFFAOYSA-N 373.821 4.695 0 1 FJAF COC(=O)c1cc(Cl)c2nc(-c3cc4c(s3)CC[C@H](C)C4)[nH]c2c1 587034412 ULZRPTSYIZOLQO-VIFPVBQESA-N 360.866 4.856 0 1 FJAF Cc1c(Br)cnc2[nH]c(-c3cc(Cl)nc4ccccc34)nc12 587084626 DQLWTPAAHQJQRJ-UHFFFAOYSA-N 373.641 4.897 0 1 FJAF Fc1cc(Cl)cc2nc(-c3cc4cnccc4nc3C(F)(F)F)[nH]c12 587116097 NJEKYXKPOBDAST-UHFFFAOYSA-N 366.705 4.984 0 1 FJAF Fc1ccc(F)c(SCc2cccc(-c3nc4cnncc4[nH]3)c2)c1 587140934 JULQYCWCXOMTBH-UHFFFAOYSA-N 354.385 4.590 0 1 FJAF CN(C)[C@@H](c1ccc(F)cc1)c1nc2ccc(C(=O)c3ccccc3)cc2[nH]1 587163187 IBTCPQCRXPYDCQ-NRFANRHFSA-N 373.431 4.584 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1nc3c(s1)C[C@@H](C(C)(C)C)CC3)O2 587415796 XUXBFAHBZZBNKE-YVEFUNNKSA-N 370.518 4.891 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)Oc2cc(F)ccc21 587472477 RJSNCROYXXJXLL-JOCHJYFZSA-N 370.420 4.906 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)CC(C)(C)Oc2ccccc21 587485436 VTIZWYCJKZYRHL-QFIPXVFZSA-N 352.430 4.767 0 1 FJAF CCOc1ccc2c(c1)[C@@]1(CCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587535455 JXWMRMJFDNMGRA-HSZRJFAPSA-N 364.441 4.607 0 1 FJAF CC1(C)[C@H]2CCCC[C@H]2[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587602572 IRXOVCAZYATQAG-GVKACGJPSA-N 364.441 4.939 0 1 FJAF O=C(O)c1cc(N(Cc2ccccc2F)Cc2ccccc2F)ccc1O 1772654529 QCZRFHCIDHXCKC-UHFFFAOYSA-N 369.367 4.575 0 1 FJAF CC(=O)O[C@@H]1C=C(c2ccccc2F)c2cc(Cl)ccc2NC1=S 1857755192 ACSODSPFBAXSCX-QGZVFWFLSA-N 361.825 4.595 0 1 FJAF CCCC/C=C/[C@@H](NC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 5977946 ICYNHFBKDCOUDJ-RGFVMQALSA-N 351.446 4.691 0 3 FJAF Cc1ccc(CN2CCC[C@H](C(=O)c3cccc(C(F)(F)F)c3)C2)o1 13596222 BEFKPDDAMAPFCB-HNNXBMFYSA-N 351.368 4.702 0 3 FJAF Cc1nc2cnccc2n1-c1ccc(C2=CCC(=O)c3ccccc3N2)cc1 13743146 AFKZOHFDFWZUIG-UHFFFAOYSA-N 366.424 4.768 0 1 FJAF CC(C)CC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)C(=O)C=C[C@@]4(C)[C@@H]3CC[C@]12C 26386021 MLZFGDUUCSXZHX-FXUBCLTQSA-N 371.565 4.857 0 1 FJAF CCCCC[C@H](C)OC[C@H]1[C@@H]2CC[C@@H](O2)[C@@H]1C/C=C\CCCC(=O)O 26398990 AMXGGSMKASENPO-QEAJMBLHSA-N 352.515 4.967 0 1 FJAF Cc1cc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c(C)o1 36382606 KBLJBVWSNZBHJP-UHFFFAOYSA-N 373.412 4.847 0 1 FJAF CC(C)c1c(Sc2ccc(Cl)c(Cl)c2)[nH]c2nc(N)nc(N)c12 40918778 ZANQFNCQCCPBKV-UHFFFAOYSA-N 368.293 4.704 0 1 FJAF CCCCCNc1ncnc2c1nc(C(CC)CC)n2C[C@H]1CCCO1 82186896 DHXHCSKZBWVBHH-MRXNPFEDSA-N 359.518 4.511 0 1 FJAF Oc1c(-c2ccsc2)cnc2c(-c3cccc(C(F)(F)F)c3)cnn12 100932580 PEJYYKCLGNUTMG-UHFFFAOYSA-N 361.348 4.849 0 1 FJAF COC(=O)C[C@H](C)CC[C@]1(C)C2=CCC[C@](C)(C(=O)OC)[C@H]2CC[C@@H]1C 238779599 PYHKARJNNRSAIE-NKOSUPTBSA-N 364.526 4.918 0 1 FJAF C[C@H]1C[C@H]1c1cc(NC(=O)Nc2cccc(F)c2)n(Cc2ccccc2)n1 299820269 CYFCTSATGJGIQC-KBXCAEBGSA-N 364.424 4.838 0 1 FJAF O=c1ccc2cc(OCc3cc(-c4cccc(Cl)c4)no3)ccc2o1 299827080 XOCWGWWXAVCRRI-UHFFFAOYSA-N 353.761 4.680 0 1 FJAF COc1cc(/C=C/c2nc3cc(Cl)ncc3[nH]2)ccc1Br 586977926 VURIXLGARDVQNL-HWKANZROSA-N 364.630 4.553 0 1 FJAF Cc1nc(-c2c[nH]cc2-c2nc3cccc(Br)c3[nH]2)cs1 587021530 MZWXEFHIRDXIDM-UHFFFAOYSA-N 359.252 4.752 0 1 FJAF CCc1ccc2nc(Cn3c(-c4cscn4)nc4ccccc43)[nH]c2c1 587029453 OVWUPTWWADTVGU-UHFFFAOYSA-N 359.458 4.647 0 1 FJAF CC[C@@H](Oc1ccccc1Cl)c1nc2ccc(OCCN(C)C)cc2[nH]1 587062990 YYMDUZAEQGBYEX-GOSISDBHSA-N 373.884 4.687 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2ccc(OCCN(C)C)cc2[nH]1 587170313 OEIFCXQPECQMGL-AWEZNQCLSA-N 373.497 4.538 0 1 FJAF C[C@]1(c2nc3cc(Cl)c(Cl)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587172697 KLUBEJYVRUQVLZ-QGZVFWFLSA-N 365.191 4.637 0 1 FJAF O=C1c2ccc(O)cc2O[C@@](C2CCC2)(C2CC2)[C@@H]1c1ccc(F)cc1 587349593 CKMUHSSQOBDDPS-IRLDBZIGSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cc(Br)sc1C)O2 587408459 BWPAXQQZSGGJOL-INIZCTEOSA-N 366.280 4.590 0 1 FJAF C[C@]1(c2ccc(Br)nc2)CC(=O)c2ccc3c(c2O1)CCCC3 587497957 NJDPPFUNWYRYLY-LJQANCHMSA-N 372.262 4.604 0 1 FJAF C[C@@]1(c2cccc3[nH]ccc23)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589029 MQCGUNOMYLMHAF-REWPJTCUSA-N 371.392 4.751 0 1 FJAF C[C@@]1(c2cc3ccccn3c2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587589115 UALXTQYBIPTCDN-REWPJTCUSA-N 371.392 4.522 0 1 FJAF COc1cccc(-c2[nH]c3cccc(F)c3c2C(=O)C(F)(F)Cl)c1 587634234 VODOJXAJLFRCMD-UHFFFAOYSA-N 353.727 4.997 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H](c2cc(O)ccc2Cl)N1 587692476 HGEYOYBOYLMUOU-BCTVWOGZSA-N 370.649 4.571 0 1 FJAF CC(C)OC1CCC2(CC1)N[C@H](C)Cc1cc(Br)c(F)cc12 587810303 KKOKXJPHQBYXJF-LVIIFESRSA-N 370.306 4.685 0 1 FJAF CC[C@]1(Cc2ccccc2)N[C@@H](C)Cc2ccc(F)c(Br)c21 587811832 HTXMIZDCNJDNPD-ORAYPTAESA-N 362.286 4.970 0 1 FJAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1Cc1cccc(O)c1 587865789 IYGVNJLPJLTJMX-UHFFFAOYSA-N 362.351 4.722 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1nc2c(F)cccc2s1 587870920 VNKFDWKPJALRBJ-UHFFFAOYSA-N 357.385 4.826 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1-c1c(F)c(F)c(F)c(F)c1F 587871348 UNLSSXFZSSLXEU-UHFFFAOYSA-N 372.268 4.773 0 1 FJAF COc1ccc(-c2ccc(-c3nc4c(C(=O)O)cccc4[nH]3)cc2)cc1OC 587928275 AKQZJEVMDWKDHO-UHFFFAOYSA-N 374.396 4.612 0 1 FJAF N=c1[nH]n(Cc2ccc(C(F)(F)F)cc2)c2c(C(F)(F)F)cccc12 1857552746 RWEMCIGCBOEKSO-UHFFFAOYSA-N 359.273 4.535 0 1 FJAF CC[C@@H]1CN2CCc3ccccc3[C@@H]2C[C@H]1C[C@H]1NCCc2ccccc21 2356655802 KSQYVPHTTWSOHG-HAFLYIAKSA-N 360.545 4.909 0 1 FJAF Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)c3ccco3)n2)cc1 932710 CDBYZAGEHJNVJG-INIZCTEOSA-N 368.458 4.537 0 3 FJAF COc1ccc([C@]2(C(C)C)ON(c3ccccc3C(F)(F)F)C2=O)cc1 36387699 SVGXNRBFIDMVPD-SFHVURJKSA-N 365.351 4.544 0 3 FJAF COc1ccc(-c2nc3ccc(C)cn3c2Cc2ccccc2)cc1OC 72136107 JSSAWEMEWKVUGV-UHFFFAOYSA-N 358.441 4.918 0 3 FJAF CCCc1cc(=O)oc2c(C(=O)CC)c(OCC)c3c(c12)OC(C)(C)C=C3 6381550 APJZLQGETNYMGE-UHFFFAOYSA-N 370.445 4.921 0 1 FJAF Cc1cc(N)c2cc(NC(=O)/C=C/c3ccccc3C(F)(F)F)ccc2n1 13448048 VALGCIZQXXKDDI-RMKNXTFCSA-N 371.362 4.796 0 1 FJAF COc1ccc(SC2c3cccc(O)c3C(=O)c3c(O)cccc32)cc1 13757266 VMHDKWINYYKMJC-UHFFFAOYSA-N 364.422 4.533 0 1 FJAF CC1(C(=O)Nc2ccccc2OC(=O)Cc2ccccc2)CCCCC1 13813306 FMSSZDIKCKZIRN-UHFFFAOYSA-N 351.446 4.744 0 1 FJAF O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc4[nH]ccc4c3)ccc21 14977250 NTVMEMFFWPVNGF-INIZCTEOSA-N 365.429 4.520 0 1 FJAF CCCCN[C@H](c1cccc(O)c1)[C@H](NCCCC)c1cccc(O)c1 27899189 NYFJJXRDCLDJDJ-FGZHOGPDSA-N 356.510 4.660 0 1 FJAF CCCC[C@@H]1C=Cc2c3c(c4oc(=O)cc(CC)c4c2O1)C(=O)C[C@@H](C)O3 29133503 XUIBOQHCAYSWFE-TZMCWYRMSA-N 368.429 4.674 0 1 FJAF Brc1ccccc1Nc1nccc(-c2c[nH]c3ncccc23)n1 36124431 GDXJAAIAGCCGJP-UHFFFAOYSA-N 366.222 4.526 0 1 FJAF Cc1ccccc1CNC[C@H]1CCC[C@H](CNCc2ccccc2C)C1 45388165 UYUUBRBRUZYWLZ-VXKWHMMOSA-N 350.550 4.989 0 1 FJAF CCC(NC(=O)Oc1cc(C)cc(C)c1C)(C(F)(F)F)C(F)(F)F 68573283 ZWRHQWIYCACFHQ-UHFFFAOYSA-N 357.294 4.974 0 1 FJAF biogenic Oc1cccc(-c2ccc3ncc(-c4cccc(C(F)(F)F)c4)n3n2)c1 74386057 ZCWCTPSWKSEJMH-UHFFFAOYSA-N 355.319 4.788 0 1 FJAF CCCCCn1c(C2CC2)nc2c(NCc3cccc(F)c3)ncnc21 82184716 RTKYNWOICNOWTG-UHFFFAOYSA-N 353.445 4.645 0 1 FJAF CCCCN1CCC(COc2noc3cccc(OCC(C)C)c23)CC1 95575215 UAZGCPQENLJGTK-UHFFFAOYSA-N 360.498 4.754 0 1 FJAF c1cc(OC2C[C@@H]3CC[C@@H](C2)C3)c2nc(-c3nnc4ccccn34)ccc2c1 100631656 PADREQKUUXIWHG-HZPDHXFCSA-N 370.456 4.902 0 1 FJAF C/C=C/[C@@H]1Oc2c(-c3ccccc3)cn(O)c(=O)c2[C@@H]2[C@@H](C)CCC[C@H]12 253733501 ZAWHOLMDNIHGEJ-HFFGEJHLSA-N 351.446 4.610 0 1 FJAF COc1ccc([C@](C)(O)c2nc(Nc3ccccc3)nc3ccccc23)cc1 299866123 OKSQADDIWCLVHA-QHCPKHFHSA-N 371.440 4.638 0 1 FJAF C[C@]1(c2ccc(F)cc2)Oc2cc(O)ccc2C(=O)[C@@H]1c1ccc(F)cc1 587338662 UJEARDVIQPHKTD-RBBKRZOGSA-N 366.363 4.945 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C3(C(F)(F)F)CC3)cc1)O2 587383067 VCUILUYDUZUSLT-KRWDZBQOSA-N 361.363 4.878 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](Cc1ccccc1F)(c1ccccc1)O2 587385575 PCDQODNPCNNAKQ-HSZRJFAPSA-N 361.416 4.820 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc4ccc(OC)cc14)[C@@H](C2)C3=O 587444592 VZAWLAXOHGQHKW-WMZHIEFXSA-N 360.409 4.520 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3ncc(Cl)cc13)CC2=O 587462419 OOSJFSJTISCJLV-QGZVFWFLSA-N 356.809 4.581 0 1 FJAF CCCCOc1ccc([C@H]2CC(=O)c3ccc(O)c(CCC)c3O2)c(O)c1 587477579 DASXJMZHRBITHM-OAQYLSRUSA-N 370.445 4.936 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc(N3CCCC3)s1)CC2=O 587495794 UIMCPXQQCWEVCM-KRWDZBQOSA-N 357.475 4.713 0 1 FJAF CN(C)/C=C\[C@@]1(c2ccc(F)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587501071 FKYOHMTUHSBJOR-DSTYWPJMSA-N 365.448 4.641 0 1 FJAF C[C@]1(c2cccc3[nH]ccc23)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587589025 MQCGUNOMYLMHAF-NFBKMPQASA-N 371.392 4.751 0 1 FJAF C[C@@]1(c2cccc3c2CCC3)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602055 IMYRHYQXWNKSKD-URXFXBBRSA-N 372.420 4.758 0 1 FJAF COc1cccc(OCc2ccc(-c3nc4c(Cl)cncc4[nH]3)cc2)c1 587780756 HPDCWBPKMHSQIC-UHFFFAOYSA-N 365.820 4.866 0 1 FJAF COc1cncc2nc(/C=C\c3ccc(OCc4ccccc4)cc3)[nH]c12 587784333 QBUKGDVCFUYFRQ-XFXZXTDPSA-N 357.413 4.716 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1C(=O)c1cccc(C)c1 587862847 YZGWIKPUIODMCF-UHFFFAOYSA-N 360.335 4.574 0 1 FJAF COC(=O)c1cccc2nc([C@H](C)c3ccc4cc(OC)ccc4c3)[nH]c12 587934811 OPVHTXCBTALOME-CYBMUJFWSA-N 360.413 4.663 0 1 FJAF Cc1ccnc2c1CCN[C@]2(CCC(=O)c1cccs1)c1cccs1 963066366 GYPNZQMMFTYVFX-HXUWFJFHSA-N 368.527 4.565 0 1 FJAF CCOc1c(F)cc([C@@]2(C)NCCc3cccc(Cl)c32)cc1Cl 963382053 ZOXZFLNIBLKDNH-GOSISDBHSA-N 354.252 4.940 0 1 FJAF COc1ccc(OC)c2c1C[C@@H](C)N[C@]2(C)c1cc(Cl)sc1Cl 963636663 RMZIGUUTJZCYFV-VVVCHXIZSA-N 372.317 4.870 0 1 FJAF CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(OC(=O)CC(=O)O)CCC[C@]21C 2356396560 OKHGAAQNADNSGY-BWAGFHJFSA-N 358.478 4.591 0 1 FJAF CC[C@@H](c1nc2ccccc2[nH]1)n1c(=O)c(-c2ccco2)nc2ccccc21 95570948 NHWIYXNGWYWBAJ-KRWDZBQOSA-N 370.412 4.532 0 3 FJAF Cc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1Cl)=[N+]([O-])C2 29342043 GEIYWKZWLJFLJB-UHFFFAOYSA-N 370.239 4.620 0 1 FJAF CCCCc1ccnc(NC(=O)C2(C[C@@H](CCC)C(=O)O)CCCC2)c1 34803350 ZRGPBCADUOKTDJ-QGZVFWFLSA-N 360.498 4.814 0 1 FJAF CC[C@H]1CC[C@@H](C)N(C(=O)c2cnc(N[C@@H](C)CC)nc2-c2ccco2)C1 82142613 MTSFAZQUXASQPT-XHSDSOJGSA-N 370.497 4.598 0 1 FJAF CC[C@@H](C)Cn1c(CC(C)C)nc2c(NCc3ccccc3C)ncnc21 82180354 DWGVFORGCOMVHZ-MRXNPFEDSA-N 365.525 4.991 0 1 FJAF COc1cc(Cc2c(-c3cc[nH]c3)[nH]c3ccccc23)cc(OC)c1OC 95596330 COZGDXZMYRUMLS-UHFFFAOYSA-N 362.429 4.780 0 1 FJAF CC1(C)Cc2ccc(-c3cncc(Cl)c3)cc2[C@]2(CSC(N)=N2)C1 95604719 GXHBPHNVZKIEND-LJQANCHMSA-N 357.910 4.631 0 1 FJAF Cc1ccc([C@H]2C[C@H]3CC[C@H]([C@H]2c2nc(-c4ccccc4)no2)N3C)cc1 100773722 WYJIEKRDCVWTRP-NCYKPQTJSA-N 359.473 4.779 0 1 FJAF O[C@H](C[C@H]1CCCCN1)c1cc(-c2ccc(F)cc2)nc2cc(F)ccc12 169334826 YRDGFJXTCBQLJX-VGOFRKELSA-N 368.427 4.746 0 1 FJAF Cc1cc2nc(-c3ccc(-c4nnc(-c5ccncc5)o4)cc3)[nH]c2cc1C 473135705 SMCLPQQVVAWXMX-UHFFFAOYSA-N 367.412 4.959 0 1 FJAF Cc1ccc([C@H](C)[C@H](O)c2nc3cc(Br)cc(F)c3[nH]2)cc1 586887113 HFBFIAHBOSGLOA-QFYYESIMSA-N 363.230 4.610 0 1 FJAF O=C(c1ccccc1)c1ccc2[nH]c(-c3ccc4oc(=O)ccc4c3)nc2c1 586919084 ZGXWUKUMVWEVDO-UHFFFAOYSA-N 366.376 4.567 0 1 FJAF Cc1c(-c2ccc(F)cc2O)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586989005 VYYBQLDEVXZODX-UHFFFAOYSA-N 371.367 4.972 0 1 FJAF Brc1nccc2[nH]c(-c3ccc(-c4nccs4)cc3)nc12 587023380 KBEKIWBWZZAJIY-UHFFFAOYSA-N 357.236 4.511 0 1 FJAF COc1ccc2nc(-c3cc4cc(OC(F)(F)F)ccc4nc3C)[nH]c2c1 587122698 WONRPEUJWXXORI-UHFFFAOYSA-N 373.334 4.994 0 1 FJAF COc1cc2nc(C[C@H](N)c3cccc4ccccc34)[nH]c2cc1Cl 587258953 NMCHUUIMOUHIMK-INIZCTEOSA-N 351.837 4.621 0 1 FJAF O=C1c2ccc(O)cc2O[C@@](C2CCC2)(C2CC2)[C@H]1c1ccc(F)cc1 587349604 CKMUHSSQOBDDPS-UNMCSNQZSA-N 352.405 4.839 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc(-c3ccccc3)cnc1Cl)O2 587380407 UMPSEJWNHBAMSI-LJQANCHMSA-N 364.832 4.999 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(C(F)(F)F)cc1Cl)O2 587382304 OSINXMZVTRNYQL-HNNXBMFYSA-N 355.743 4.956 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(Cl)c(F)c1 587554662 MLPKXTUIPRFYJB-YLJYHZDGSA-N 370.763 4.888 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cnc2ccccc2c1 587586294 KDGALXQMIKVCKL-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]12CCCC[C@H]2C1CC1 587601580 DRMUTCCXFHGTOG-XWFZLUIHSA-N 350.414 4.693 0 1 FJAF Cc1ccc([C@H](C)[C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)cc1 587603204 NRIWOZFGRDBTKY-UYGSHGSRSA-N 360.409 4.835 0 1 FJAF Cc1cccc([C@@]2(C)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1C 587604621 XLYZQKUSPAPFRS-NFBKMPQASA-N 360.409 4.886 0 1 FJAF COC(=O)c1[nH]c2cc(Cl)c(F)cc2c1C(=O)c1ccc(Cl)cc1 587628172 IOIVGHQJWSIDEI-UHFFFAOYSA-N 366.175 4.631 0 1 FJAF Cc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)cc1F 587725700 RRRZDIBVZSPQAQ-BMLIUANNSA-N 352.222 4.659 0 1 FJAF Cc1cc2c(o1)CCC[C@]21N[C@H](C)Cc2cc(Br)c(F)cc21 587834492 RVDRYVISZKKAOK-MLCYQJTMSA-N 364.258 4.604 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C2(N1)C(C)(C)SC2(C)C 587858587 RTZGAUBCAOQFJY-VIFPVBQESA-N 358.320 4.622 0 1 FJAF Clc1c(Br)cnc2[nH]c(C[C@@H]3C[C@H]3c3ccccc3)nc12 587960907 OEFGVENATBQALE-QWRGUYRKSA-N 362.658 4.720 0 1 FJAF COc1ccc2c(c1)[C@](CCc1cccc(F)c1)(C1CC1)N[C@H]1CC[C@H]21 962997674 RSZOPDKKAFSBGD-PUHATCMVSA-N 351.465 4.922 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(C)CSCc1ccccc1 963068786 QOYFXYYATKXOOL-QFIPXVFZSA-N 364.514 4.538 0 1 FJAF Nc1ncc(-c2ccc3ncsc3c2)cc1-c1cc(F)c(O)c(F)c1 1857552231 QUGCQIPMQMLYFW-UHFFFAOYSA-N 355.369 4.591 0 1 FJAF Clc1ccc2sc(SCc3cn(Cc4ccccc4)nn3)nc2c1 1857577750 NUUIEHDQWYXKJD-UHFFFAOYSA-N 372.906 4.882 0 1 FJAF CO[C@@H]1CC(=O)[C@@H]2[C@H]3[C@H]4CC[C@@]5(CCC6(CCCC6)C5)[C@@]3(C)[C@@](C)(C4)[C@]12O 2356321354 INZKXQVWURMZIT-XCQPHTMNSA-N 372.549 4.508 0 1 FJAF COc1ccc([C@H]2[C@@H]3COc4ccccc4C3=NN2c2ccccc2)cc1 5822823 RTXIBZMHCIEZDT-OFNKIYASSA-N 356.425 4.669 0 1 FJAF COc1cccc2c1CCC/C2=C\CCN1CCN(c2ccccc2)CC1 13760535 VKOJWPSHQQXTMQ-AWQFTUOYSA-N 362.517 4.627 0 1 FJAF Cc1ccccc1/C(=C/CCN1CCC[C@H](C(=O)O)C1)c1sccc1C 13827932 BJVXASIIIRQZEF-VNAJSCGASA-N 369.530 4.983 0 1 FJAF O=[S@@](CCCCCCc1ccccc1)c1ncc(-c2ccccn2)o1 28353358 GDMQOSJIGVIUJW-RUZDIDTESA-N 354.475 4.647 0 1 FJAF CC[C@H]1O[C@@](/C=C/C2CC2)(C(F)(F)F)c2cc(Cl)ccc2NC1=O 28772267 TUFQSDDYFMZWMX-XIHNBGGYSA-N 359.775 4.811 0 1 FJAF CC(C)NC(=O)c1ccc(-c2nn(Cc3ccccc3)c3ccccc23)cc1 29063139 RGTFGUUTALSCLI-UHFFFAOYSA-N 369.468 4.890 0 1 FJAF CC(C)Oc1cccc(CN2CCC(CCCC(=O)c3ncco3)CC2)c1 29126420 ZKQSXLPQJMOARC-UHFFFAOYSA-N 370.493 4.727 0 1 FJAF CC(C)(C)C1(O)CCN(CC2c3ccccc3CCc3ccccc32)CC1 33865075 VRPRETQJYFCPRI-UHFFFAOYSA-N 363.545 4.790 0 1 FJAF O=C(Oc1ccc(Cl)cc1)c1ccccc1Cn1ccc2cnccc21 40563780 QWVAWTDCKYBBSZ-UHFFFAOYSA-N 362.816 4.957 0 1 FJAF O=C(NCCc1c[nH]c2ccccc12)c1ccccc1-c1cccc(F)c1 40860653 VNLGYUNDFJCHRC-UHFFFAOYSA-N 358.416 4.947 0 1 FJAF c1ccc2c(c1)CN(C[C@@H]1C[C@@H]3c4ccccc4Cc4ccccc4N3O1)C2 58590384 XKZZKFWMYWZWDI-WIOPSUGQSA-N 368.480 4.858 0 1 FJAF Oc1ccc(Nc2[nH]nc(-c3ccc(O)cc3)c2-c2ccc(O)cc2)cc1 63298587 VIJBEUTVNBPGIU-UHFFFAOYSA-N 359.385 4.604 0 1 FJAF in-vitro S=c1[nH]nc(COc2ccc(Cl)cc2)n1CCCc1ccccc1 64528109 RRQZFVHXCWYWRY-UHFFFAOYSA-N 359.882 4.806 0 1 FJAF COc1ccc(Cc2nn3c(O)cc(C(C)C)nc3c2-c2ccccc2)cc1 101892212 DYZUMCAWHPXTDZ-UHFFFAOYSA-N 373.456 4.825 0 1 FJAF COc1cc(N[C@@H](C)CCCN)c2nccc(CC3CCCCC3)c2c1 169329216 FEGDZHPGXCANQG-INIZCTEOSA-N 355.526 4.906 0 1 FJAF O=C(NCc1ccccc1)c1nc(-c2ccccc2Cl)c2ccccc2n1 169347415 MAMGZONBRCBRCW-UHFFFAOYSA-N 373.843 4.880 0 1 FJAF Cc1ccc(OC(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 169365749 QGPBRSDGYQTSKG-FYZZASKESA-N 369.892 4.820 0 1 FJAF O=C(CCCN1CC[C@@]2(c3ccc(O)cc3)CC[C@H]1C2)c1ccc(F)cc1 195005310 RJXSEJFTARFUGN-REWPJTCUSA-N 367.464 4.690 0 1 FJAF COc1cc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2cn1 586976661 WSMVLBVYXOTBLU-UHFFFAOYSA-N 373.037 4.703 0 1 FJAF Cc1ccc2c3c(cc(-c4nccnc4Cl)nc13)-c1ccccc1C2=O 586993108 KXLNCTDDNQDQGA-UHFFFAOYSA-N 357.800 4.865 0 1 FJAF Clc1cccc2nc(CCNc3ccc(Br)cc3)[nH]c12 586994784 CJUUSCCXJKFJAD-UHFFFAOYSA-N 350.647 4.633 0 1 FJAF COc1c(F)ccc(F)c1-c1nc2cc(Br)cc(Cl)c2[nH]1 587132900 LELOHRLFVURBIA-UHFFFAOYSA-N 373.584 4.933 0 1 FJAF Oc1c(Br)ccc2nc([C@@H]3C[C@H]3c3cccc(F)c3F)[nH]c12 587152301 LOARNBNBLSZQJD-DTWKUNHWSA-N 365.177 4.580 0 1 FJAF O=C(Nc1cccc(-c2nc3cc(Cl)cnc3[nH]2)c1)c1ccc(F)cc1 587163750 SIFPYSXYEOIPTB-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF N[C@@H](Cc1nc2c(Cl)c(Cl)cnc2[nH]1)c1cccc2ccccc12 587258514 FMYDAOZNQLRXPQ-AWEZNQCLSA-N 357.244 4.660 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(Cc1ccc(Cl)c(Cl)c1)O2 587372873 BAFGYYFXRGFJAA-GOSISDBHSA-N 350.245 4.851 0 1 FJAF CCCCCOc1ccc([C@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587440399 GTGFGEPGLNHXGZ-XMSQKQJNSA-N 352.430 4.753 0 1 FJAF CCCCCOc1ccc([C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587442557 QSXCXVYJORPZGM-AUSIDOKSSA-N 366.457 4.927 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccc(O)cc4)cc1)[C@@H](C2)C3=O 587452336 SMUWKCGIBWWZCL-CVDCTZTESA-N 358.393 4.557 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccc([C@@H](C)N(C)C)cc1)CC2=O 587467111 CLNHALSVVPITCA-SZNDQCEHSA-N 353.462 4.674 0 1 FJAF COc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(OC)cc1Cl 587510713 ZPWMZUSKSNMAOG-IBGZPJMESA-N 372.848 4.943 0 1 FJAF Cc1[nH]c2cc(Cl)c(F)cc2c1C(=O)NC1C2CC3CC(C2)CC1C3 587630947 FLKDMGMAGKGCBG-UHFFFAOYSA-N 360.860 4.823 0 1 FJAF Cc1c(-c2ccc(C(F)(F)F)cc2F)[nH]c2ccc(S(C)(=O)=O)cc12 587650214 PVZLSDZMVAETSG-UHFFFAOYSA-N 371.355 4.705 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cccc3c2ccn3C)N1 587759683 VAIVUZNWJLDVBW-WYRIXSBYSA-N 373.269 4.704 0 1 FJAF Cc1cc(C)c([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831460 XBRDLPOFKGNCNS-DYZYQPBXSA-N 352.247 4.596 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccccc2S)N1 587844435 NXJNUAMGYQVBOY-BTDLBPIBSA-N 366.299 4.675 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1[C@@H]1CCCC[C@H]1O 587859975 KKCFRHUMHWSLDE-HZPDHXFCSA-N 355.265 4.732 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cn(-c3cccc(F)c3)nc2C)N1 962952827 VYOMVGCIAHYMTD-QMHKHESXSA-N 374.463 4.815 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccn(C2CCCCC2)c1 963055814 LRCYWOLSZXCLLJ-JOCHJYFZSA-N 361.489 4.785 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1cccs1)C1CCCC1 963059168 SRLYEXMBAUIXTB-JOCHJYFZSA-N 364.514 4.884 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@H]1c1ncc(Br)cc1F 963231280 QHCIBQWEJJLZIE-KPZWWZAWSA-N 363.274 4.729 0 1 FJAF Cc1cc(Br)c(F)cc1[C@H]1NCCc2cc(Cl)ccc21 963390881 OCFFRTGMIWDXMV-INIZCTEOSA-N 354.650 4.785 0 1 FJAF COc1ccc(OC)c2c1C[C@H](C)N[C@@]2(c1cccc(C)c1)C(C)(C)C 963603945 CORPSFPAXYWNBJ-QMHKHESXSA-N 353.506 4.836 0 1 FJAF CC(=O)OC[C@H]1c2c(O)c(C(C)C)cc(O)c2[C@@]2(C)CCCC(C)(C)[C@H]12 1772618732 WNUBCUDGXRPAFO-GJULWVSJSA-N 360.494 4.966 0 1 FJAF CC(C)c1ccc(O[C@H](Cc2ccc(Br)cc2)C(=O)O)cc1 13604710 JBOONSRGVKVSGX-QGZVFWFLSA-N 363.251 4.647 0 1 FJAF O=C(CC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccc(F)cc1 13729936 CDSLIIIUAQZQPQ-UHFFFAOYSA-N 364.464 4.835 0 1 FJAF CCOC(=O)c1c(C2CCCC2)nc(CC)c(C(=O)SCC)c1CC 13780821 GPULGBDNHJVEJE-UHFFFAOYSA-N 363.523 4.934 0 1 FJAF C[C@H](c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1 28707231 ZNKBVXRAPNKVHW-GOSISDBHSA-N 358.485 4.795 0 1 FJAF in-vivo FC(F)(F)c1c[nH]c(-c2n[nH]cc2/C=C/c2cncc3ccccc23)n1 28896815 FVEOSFBMLSDRHJ-AATRIKPKSA-N 355.323 4.537 0 1 FJAF O=S(=O)(Cc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 96915280 AUKNVPHZNSOHJW-UHFFFAOYSA-N 374.465 4.718 0 1 FJAF CN1[C@H]2CC[C@@H]1C[C@@H](OC(=O)N(Cc1ccsc1)c1ccccc1)C2 101151808 KQJQPAOCEGFVNJ-REPLKXPHSA-N 356.491 4.517 0 1 FJAF O=c1c2sc3ccccc3c2[nH]c(=S)n1-c1ccc(F)c(F)c1F 101516919 CEXQPQAZAGZHIT-UHFFFAOYSA-N 364.373 4.680 0 1 FJAF c1ccc(-c2ccc(C3(Cc4nnn[nH]4)C4CC5CC(C4)CC3C5)cc2)cc1 103231609 LRYNXQMWCWCCSO-UHFFFAOYSA-N 370.500 4.803 0 1 FJAF c1ccc(CCN2CCN3C[C@H](c4ccccc4)c4ccccc4[C@H]3C2)cc1 167834507 ZTNUFLBDJULOLU-CLJLJLNGSA-N 368.524 4.734 0 1 FJAF CCCC[C@](C)(O)C/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)O 169324021 HOHXBRMZBXKVJW-BNMFZAHFSA-N 352.515 4.894 0 1 FJAF OCC12CCC(c3nc4cc(C(F)(F)F)c(Cl)cc4[nH]3)(CC1)CC2 586895331 FKSDOFLVQMAVBV-UHFFFAOYSA-N 358.791 4.819 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4ccc(O)c1c24)CC[C@H](C(F)F)CC3 586986569 NGKANVCXTSQVHC-LLVKDONJSA-N 365.379 4.912 0 1 FJAF Clc1cnc(Cl)c2[nH]c(Cc3csc(-c4ccco4)n3)nc12 587016669 AZDIEWWSFXXPHT-UHFFFAOYSA-N 351.218 4.572 0 1 FJAF FC(F)(F)Oc1cc2nc(-c3cnc(Cl)s3)[nH]c2cc1Cl 587022916 FDACJIGSZBPWNV-UHFFFAOYSA-N 354.140 4.892 0 1 FJAF CC(C)[C@H](c1nc2cnc3ccccc3c2[nH]1)N(C)C(=O)OC(C)(C)C 587197618 KPSTXRINHAOZMC-QGZVFWFLSA-N 354.454 4.675 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc4c(Cl)ccc(C)c4n1)[C@@H](C2)C3=O 587419927 GBGLXJAWCKNYGN-LHSJRXKWSA-N 365.816 4.694 0 1 FJAF C[C@]1(c2ccc(OCCF)cc2)CC(=O)c2ccc3c(c2O1)CCCC3 587507220 PGAXUQYHGDMUIS-JOCHJYFZSA-N 354.421 4.794 0 1 FJAF Cc1cccc(N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)c1 587513144 HWNAHAGAYNHKOF-UHFFFAOYSA-N 361.485 4.878 0 1 FJAF COCCCOc1ccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1 587526759 ZXEYKYBTIAZREU-JOCHJYFZSA-N 366.457 4.687 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1cccc2cc[nH]c12 587590234 RYCNPVAOUSXGQQ-XMSQKQJNSA-N 357.365 4.576 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1coc2ccccc12 587616653 LQSDZLRUCOXKMG-DENIHFKCSA-N 358.349 4.841 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cscc1Cl 587619596 TWFLHYOVLAYYQQ-MAUKXSAKSA-N 358.802 4.810 0 1 FJAF C/C=C\C/C=C\Cc1c([C@@H]2O[C@@H]2C(N)=O)[nH]c2ccc([C@H](C)CC)cc12 587640416 AFUXHDHZNKWKOW-LCWFLOGHSA-N 352.478 4.672 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCc2ccccc2)N1 587814989 XKSOAYNKPZPXEL-BFUOFWGJSA-N 362.286 4.970 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3ccc(F)c(Br)c31)[C@H](C)C2 587818824 FSNYJCIDVYVWIK-VFGMZZLHSA-N 374.297 4.867 0 1 FJAF Cc1ccc([C@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)s1 587848348 NUHILTINQNZHMF-XXFAHNHDSA-N 354.288 4.756 0 1 FJAF Cc1cc2c(n1C[C@H](c1cccc(Br)c1)N(C)C)CCCC2 587942051 YSCOKTMTPQKSIQ-LJQANCHMSA-N 361.327 4.741 0 1 FJAF Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(c2)OCO3)n1 653686915 KBLUXXAUCMBGSO-GOSISDBHSA-N 359.429 4.670 0 1 FJAF O=C(c1cc(Oc2ccc(/C=C/c3ccncc3)cc2)ccn1)N1CCCC1 1857653441 NFDYPGJIJCFYOF-ONEGZZNKSA-N 371.440 4.675 0 1 FJAF CCCCCC[C@H](O)C/C=C\CCCCCCC(=O)N1N=C(C)CC1=O 1857747760 BHTXCEXIJSOXOL-ADYPVZHUSA-N 364.530 4.739 0 1 FJAF c1ccc(-c2cnc(-c3cccc(-c4ncc(-c5ccccn5)o4)n3)o2)nc1 1857770147 SCNCJRDTTXIEFW-UHFFFAOYSA-N 367.368 4.516 0 1 FJAF CC(C)CNC(=O)C=CC=CCCC=CCCc1ccc2c(c1)OCO2 2356346809 ZDZNXCGHTVJGMU-UHFFFAOYSA-N 355.478 4.569 0 1 FJAF Cc1noc(-c2cccc(-c3cnc(N(C)c4ccc(F)cc4)o3)c2)n1 2382219474 XWXUSRMRPDYBPY-UHFFFAOYSA-N 350.353 4.607 0 1 FJAF CCC(CC)C(=O)Nc1cc2nc(Cc3ccccc3)[nH]c2cc1N(C)C 2382236388 GLHPEWCBFMQZQF-UHFFFAOYSA-N 364.493 4.594 0 1 FJAF CCc1c(-c2ccc(O)cc2)nc(-c2ccc(O)cc2)n1-c1ccc(O)cc1 13674394 RSKWAKZVAOZXKI-UHFFFAOYSA-N 372.424 4.886 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc([S@](C)=O)cc21 13917418 KUDFJDYXEMEWNB-PUMRXTBWSA-N 368.329 4.917 0 1 FJAF COC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)CC1 28878448 KEFPLNQTZDBPPV-UHFFFAOYSA-N 354.881 4.959 0 1 FJAF O=C(O[C@@H](Cn1ccnc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 39233063 QQHZTLHIHVYNDQ-KRWDZBQOSA-N 361.228 4.788 0 1 FJAF O=C1Oc2ccc3ccccc3c2C[C@H]1C(=O)c1ccc(C(F)(F)F)cc1 42890812 BEHURMSRUXWLET-KRWDZBQOSA-N 370.326 4.819 0 1 FJAF CC(C)(C)c1ccc(NC(=O)C2=CCN(c3ccccc3F)CC2)cc1 45495646 ADPNZLSZYGYWSB-UHFFFAOYSA-N 352.453 4.898 0 1 FJAF O=C(O[C@@H](Cn1ccnc1)c1ccccc1)c1cccc(C(F)(F)F)c1 73198149 IQZPYAAZCSKUKU-KRWDZBQOSA-N 360.335 4.500 0 1 FJAF CCOC(=O)c1ccc(OCc2cc3c(cc2OC)C=CC(C)(C)O3)cc1 103198101 XMAJXGCVYJXJKW-UHFFFAOYSA-N 368.429 4.635 0 1 FJAF CCc1nc2cc(Cl)ccn2c1C(=O)NCc1ccc2ccccc2c1 118856142 XVMNBRSFVWEFMZ-UHFFFAOYSA-N 363.848 4.633 0 1 FJAF O=C(O)c1ccc(Br)cc1-n1ccc2c3ccccc3nc-2c1 136163614 VMFIFDDXWMUFEB-UHFFFAOYSA-N 367.202 4.591 0 1 FJAF Cc1ccc2nc(C[S@@](=O)C(c3ccccc3)c3ccccc3)[nH]c2c1 586959798 MJIXQNJFDVRGBP-AREMUKBSSA-N 360.482 4.910 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3cc(Br)ccc3[nH]2)n1 587078816 BQLNWRGZRGWDRS-MRVPVSSYSA-N 353.651 4.813 0 1 FJAF CC(C)Oc1ccc2nc(-c3cc(C(F)(F)F)ccc3C(=O)O)[nH]c2c1 587109453 QAXPYVWKOGMIST-UHFFFAOYSA-N 364.323 4.734 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)-c1c(ccc2c1CCO2)C3 587209970 YUEZICAPYOXTDE-UHFFFAOYSA-N 361.400 4.952 0 1 FJAF FC(F)(F)c1cc2[nH]c(-c3ccc(CNCc4ccco4)cc3)nc2cn1 587232210 OIXWCTIZQCHTNV-UHFFFAOYSA-N 372.350 4.527 0 1 FJAF CCOC1=C(C)[C@]2(CC1)Oc1cc(O)ccc1C(=O)[C@H]2c1ccc(F)cc1 587349833 JINBHRNSDLHDKV-IRLDBZIGSA-N 368.404 4.733 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1cc(Cl)cc(C(F)(F)F)c1)[C@@H](C2)C3=O 587419640 HMDJBXKIWVXRHE-GUYCJALGSA-N 368.738 4.856 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(-c4ccccc4OC)cc1)[C@@H](C2)C3=O 587442272 KQOVTYPWQSJRBO-CYFREDJKSA-N 372.420 4.860 0 1 FJAF CCCc1c(O)ccc2c1OC1(CCN(C[C@H](C)CCC)CC1)CC2=O 587478334 SBEFPFVWONDLMY-MRXNPFEDSA-N 359.510 4.581 0 1 FJAF O=C1C[C@H](c2cn3cc(Cl)ccc3n2)Oc2c1ccc1c2CCCC1 587498524 IVJQVNYBTSBCCW-GOSISDBHSA-N 352.821 4.573 0 1 FJAF O=C1C[C@@H](c2cnn(-c3ccc(F)cc3)c2)Oc2c1ccc1c2CCCC1 587510802 WUJHYVXJTJWQOJ-NRFANRHFSA-N 362.404 4.597 0 1 FJAF CCC[C@]1(c2cn(CC)nc2C)CC(=O)c2ccc3c(c2O1)CCCC3 587513555 CIXNZXULOQDCBR-JOCHJYFZSA-N 352.478 4.751 0 1 FJAF C/C(=C\[C@]1(c2ccsc2)CC(=O)c2ccc3c(c2O1)CCCC3)N(C)C 587536613 XLRWGOJAJSPKQW-OWSFEGEDSA-N 367.514 4.953 0 1 FJAF CC1(C(=O)c2c(C(F)F)[nH]c3c2c(Br)cc2n[nH]cc23)CC1 587622644 QDWDDZUHXFPOMZ-UHFFFAOYSA-N 368.181 4.727 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccnc3ccccc23)N1 587776785 DLZAFRVEPBBFFV-JEOXALJRSA-N 371.253 4.760 0 1 FJAF Cc1cccc2c1[C@@]1(CC2)N[C@H](C)Cc2ccc(F)c(Br)c21 587818066 PHHZBMWFIHCZNC-CWTRNNRKSA-N 360.270 4.621 0 1 FJAF Cc1cc(-c2ccc(F)nc2)cc([C@@H]2NCCc3cc(C)c(F)cc32)c1 962141226 BPMLIZLOUVYTRM-QFIPXVFZSA-N 350.412 4.879 0 1 FJAF Cc1c(F)ccc2c1[C@](c1ccc(F)cc1)(c1ccc(F)c(F)c1)NCC2 962373683 IRRRAWCMEMTZJF-QFIPXVFZSA-N 371.377 4.989 0 1 FJAF CCCCCC[C@]1(c2ncco2)c2c(ccc(OC)c2OC)C[C@H](C)N1C 962633181 JZQTYLCVEDUSBL-KSFYIVLOSA-N 372.509 4.782 0 1 FJAF COc1cc2oc3c(OC)c(-c4ccc(O)cc4)cc(OC)c3c2cc1O 2356324364 QOPBYJBEUNTVLD-UHFFFAOYSA-N 366.369 4.690 0 1 FJAF CC[C@@H]1C(C)=CC[C@@H]2[C@@H]1[C@H](OC(C)=O)C[C@@H]1[C@@](C)(C(=O)O)CCC[C@@]12C 2356648732 OGFGWQYOWINDKL-RDTIAXHLSA-N 362.510 4.828 0 1 FJAF COc1cc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2cc1C(=N)N 13864743 FSCCYDSFQBJKGI-UHFFFAOYSA-N 357.413 4.500 0 1 FJAF O=C1O[C@@H](Cc2ccccc2)C(Cc2ccccc2)=C1Cc1ccccc1 14769472 IQRURBLUDNZHDE-DEOSSOPVSA-N 354.449 4.937 0 1 FJAF biogenic CC(C)C[C@@]1(c2ccccc2)CC(=O)[C@@H](SCc2ccccc2)C(=O)O1 18116499 FBDKOQFGRLCPEZ-IRLDBZIGSA-N 368.498 4.746 0 1 FJAF COC(=O)c1c[nH]c(=S)n1[C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 28334071 KUAWJKQNNIHRML-CYBMUJFWSA-N 357.262 4.638 0 1 FJAF Cc1ccc(C(=O)N2CCC[C@H]2c2nc(-c3cccc(Cl)c3)no2)s1 35310325 ABWONHBWGCZVOP-AWEZNQCLSA-N 373.865 4.737 0 1 FJAF CC(C)CC1=Nc2cc(C(=O)NC(C)C)ccc2CN1Cc1ccccc1 45302377 IZZJIPMHKMGHEC-UHFFFAOYSA-N 363.505 4.917 0 1 FJAF Nc1nccc(Nc2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)n1 45339224 XWCMINXOFGQDEA-UHFFFAOYSA-N 358.430 4.560 0 1 FJAF CCN(C(=O)c1cccc(C)c1C)c1ccnc(N[C@@H](C)c2ccccc2)n1 49073065 HIZMKMSNCKPPID-SFHVURJKSA-N 374.488 4.933 0 1 FJAF O=C(O)c1csc(-n2nc(-c3ccc(Cl)cc3)c3ccccc32)n1 103254816 GTTSBNGDPHICAX-UHFFFAOYSA-N 355.806 4.501 0 1 FJAF COc1ccc([C@@H]2Nc3ccccc3N=C3CCCC(O)=C32)c(OC)c1 103921357 JXGIDYSRWZJPOI-NRFANRHFSA-N 350.418 4.939 0 1 FJAF O=c1cc(CCc2ccccc2)oc2c(Br)cc(Cl)cc12 138382171 BSDGZLUCJHPCCB-UHFFFAOYSA-N 363.638 4.994 0 1 FJAF Oc1c2c(c(O)n1-c1ccc(Br)c3ccccc13)[C@H]1CC[C@H]2O1 169727206 NVZRQPOODWWJLH-ZIAGYGMSSA-N 372.218 4.710 0 1 FJAF CSCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1 205047061 IEOACKAOCBHSME-UHFFFAOYSA-N 353.447 4.665 0 1 FJAF C[C@H]1CNC(=O)c2cc(-c3cccc4ccc(Nc5ccccc5)nc34)[nH]c21 222332926 OJYVFIGZGJDMSR-AWEZNQCLSA-N 368.440 4.820 0 1 FJAF COc1ccc2nc(-c3sc4cc(Br)ccc4c3N)[nH]c2c1 587031179 MBNVHNOXAJYLKX-UHFFFAOYSA-N 374.263 4.798 0 1 FJAF Cc1c(F)ccc2nc([C@@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c12 587192591 WHQIFEYSTWIOAU-GOSISDBHSA-N 369.440 4.967 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)(c1sccc1C)[C@@H](C2)C3=O 587452201 MVXGMGKTSOUKCM-HTAPYJJXSA-N 362.450 4.756 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(Cl)cc3c1OCC3)CC2=O 587459306 CFMMXEQCTDYWQV-GOSISDBHSA-N 358.821 4.640 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3c(OC)cccc31)CC2=O 587480186 NUVAIVHLGWNZKY-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]c3cccc(OC)c13)CC2=O 587484893 OLKBLRGDDVHILH-IBGZPJMESA-N 351.402 4.541 0 1 FJAF Cc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)s1 587637735 OYFPIUZKHUJDTM-UHFFFAOYSA-N 353.321 4.648 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c([C@](O)(c3nccn3C)C(F)(F)F)c2c1 587642973 XYLDUTVSTJAARU-VOJFVSQTSA-N 365.399 4.522 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@@]1(C)c1cc(OC)c(OC)cc1F 963236204 XTLSRVCQUFKJIU-QRQCRPRQSA-N 357.469 4.763 0 1 FJAF CC1(C)C(=O)CC[C@]2(C)[C@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@]12O 2356417712 JQTRPSHLFTZYHC-GRVHIZJJSA-N 351.490 4.518 0 1 FJAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCCO4)[C@H](C)[C@@H]2C)cc1OC 2356524670 BBSVRRFIUUMCCG-CCFWVRKCSA-N 370.445 4.560 0 1 FJAF COc1ccc(-c2ccc(C(=O)NCc3ccncc3)c3occc23)c(C)c1 61903798 QDEWULRZKVELIX-UHFFFAOYSA-N 372.424 4.742 0 3 FJAF CC[C@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1c(F)cccc1F 13474595 ZNKXXZUAGZJIDN-GFCCVEGCSA-N 350.434 4.625 0 1 FJAF O=c1cc(-c2ccccc2Cl)oc2c(-c3ccncc3)c(O)cc(O)c12 25986302 SBRHEOIHMGMKAI-UHFFFAOYSA-N 365.772 4.587 0 1 FJAF Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O 40828473 CEXKXUHVXAGOLB-UHFFFAOYSA-N 371.238 4.740 0 1 FJAF COc1cccc(CSCCNC(=O)c2c(Cl)cccc2Cl)c1 49803261 WJNMPUVXBBTSBG-UHFFFAOYSA-N 370.301 4.665 0 1 FJAF COc1cc(-c2cccc(OCc3ccccc3)c2)cc(OC)c1OC 64553646 HCWVVBZPONKJRX-UHFFFAOYSA-N 350.414 4.958 0 1 FJAF CCCCN1CCC(COc2nc3ccccc3c3cn(C)cc23)CC1 68199252 BVKKVAJCVCQCFL-UHFFFAOYSA-N 351.494 4.617 0 1 FJAF CCN(Cc1ccccc1)C1CCC2(CC1)O[C@@H](OC)Cc1ccccc12 71341189 ICNREZSCROYFDM-SHSGKGFPSA-N 365.517 4.892 0 1 FJAF OCc1ccc(-c2ccc3nnc(-c4cccc(C(F)(F)F)c4)n3c2)cc1 82082137 XXUSOXDJQKSHCR-UHFFFAOYSA-N 369.346 4.574 0 1 FJAF COc1cccc(Nc2nc3c(-c4nc[nH]n4)cccc3c3sccc23)c1 84596796 HTDBXCBZQPTDQB-UHFFFAOYSA-N 373.441 4.987 0 1 FJAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OCC3CCC3)cn2)cc1 96167481 RSUFAHXQSUYDOA-INIZCTEOSA-N 368.477 4.510 0 1 FJAF CCOc1ccc(F)c(-c2ccc(Cc3ccc(C)cc3C(=O)O)cn2)c1 96173350 VAYVBHNLLNPFCY-UHFFFAOYSA-N 365.404 4.884 0 1 FJAF COc1cc([C@H]2Nc3ccccc3N=C3CCCC(O)=C32)cc(OC)c1O 104005069 QQTXYAGTRJCVDN-HXUWFJFHSA-N 366.417 4.645 0 1 FJAF Cc1noc([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)n1 118921593 FCETYVDLUYFNPJ-SPHVDITISA-N 356.510 4.785 0 1 FJAF COc1cc2cc(-c3ccccc3)n(Cc3ccc(C(=O)O)o3)c2cc1C 169701327 MWFITRYZSCMXPL-UHFFFAOYSA-N 361.397 4.965 0 1 FJAF Cc1nc2[nH]c(-c3cccc(C(F)(F)F)c3)nc2cc1Br 404539082 DQAWKQFAYAQSOB-UHFFFAOYSA-N 356.145 4.715 0 1 FJAF Fc1c(Br)ccc2[nH]c(-c3ccc(Cl)c(Cl)n3)nc12 587085221 ZZHVMRQPAPAAFR-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Nc1ccc(-c2ccc3nc(/C=C/c4ccc(F)cc4F)[nH]c3c2)cc1N 587150716 OPJRNUBZTRDOBU-XBXARRHUSA-N 362.383 4.843 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@@H]1SCCS[C@@H]1C3 587207136 BWFKYNKKEONQJG-IIBYNOLFSA-N 361.491 4.892 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc3c(c1)c1ccccc1n3C)O2 587390806 OCOCALVDJSXRQI-JOCHJYFZSA-N 356.425 4.929 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(C)c3ccc(OC)cc13)CC2=O 587477055 TUPFPTWDRIMPOQ-NRFANRHFSA-N 365.429 4.552 0 1 FJAF O=C1C[C@@H](c2cc(Br)ccc2O)Oc2c1ccc1c2CCCC1 587496098 GYWMMVRVJCOPTP-SFHVURJKSA-N 373.246 4.740 0 1 FJAF O=C1C[C@]2(CCCc3ncc(Cl)cc32)Oc2c1ccc1c2CCCC1 587498616 JKPZWIZTGHTWOR-NRFANRHFSA-N 353.849 4.811 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccc(O)c(Cl)c2)N1 587696553 PRPBXSCVQBWCFN-ZKANADHPSA-N 370.649 4.571 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3cccc(Br)c3[nH]2)c1 587779224 YXIVYZOWQHXXEM-UHFFFAOYSA-N 361.239 4.790 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cccc(F)c4[nH]3)c(O)c2)cc1OC 587927025 MUNOJZVQNMMUMT-UHFFFAOYSA-N 364.376 4.759 0 1 FJAF CCCN1[C@H](C)Cc2ccccc2[C@]12c1ccccc1[C@@H]1CN(C)CC[C@H]12 963235741 RUWIOSWOBMVDFW-KWACHACRSA-N 360.545 4.636 0 1 FJAF CC1=CC[C@@H](OC(=O)c2ccccc2O)C(C)=C[C@@H](O)C(C)(C)CCC1 2356575513 QAKKYFVECGRUIH-WOJBJXKFSA-N 358.478 4.771 0 1 FJAF CC(=O)O[C@H](CC[C@H](C)[C@@H]1CCC(C)=C[C@H]1O)[C@@](C)(O)CCC=C(C)C 2356659998 APHIXPILELNTEX-RXZUFOQRSA-N 366.542 4.549 0 1 FJAF C[C@]12CC[C@@H]3c4ccc(O[C@H]5CCCCO5)cc4CC[C@H]3[C@@H]1CC[C@@H]2O 4900442 BOLMNLJKDBCJIB-GSKAWHTLSA-N 356.506 4.809 0 1 FJAF Clc1ccc(OCc2nc3ccccc3n2CCC2CCNCC2)cc1 13780290 MRRRBCQPWCOTKO-UHFFFAOYSA-N 369.896 4.658 0 1 FJAF Brc1cccc(Nc2ncnc3c2sc2ncccc23)c1 13803536 ZGFNQDIBQOZEFU-UHFFFAOYSA-N 357.236 4.746 0 1 FJAF Fc1ccc(OCCCN2[C@H]3CC[C@@H]2Cc2[nH]c4ccccc4c23)cc1 13861324 GHQBNTNSLQFLLN-IERDGZPVSA-N 350.437 4.838 0 1 FJAF CSc1ccc([C@H]2CC(=O)c3c([nH]c4ccc(Cl)cc4c3=O)C2)cc1 27089081 YQABRVQJRUNVOL-GFCCVEGCSA-N 369.873 4.816 0 1 FJAF CCOC(=O)CCCOc1cccc(OCc2ccc3ccccc3n2)c1 28219674 HJVFWIQQGMVLMN-UHFFFAOYSA-N 365.429 4.536 0 1 FJAF CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)ccc1C 28827118 INJANJCUJJBGTM-UHFFFAOYSA-N 365.477 4.611 0 1 FJAF in-vitro CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccccc3)C[C@H]1C=C(C)c1cc(O)ccc12 34136720 SYEXEROQLLTYNG-RKNIQEAPSA-N 364.485 4.506 0 1 FJAF C[C@@H]1CN(Cc2cccc(-c3nc(-c4cccc(Cl)c4)c[nH]3)c2)CCO1 66258661 FAMCGMZOXGBNMJ-OAHLLOKOSA-N 367.880 4.618 0 1 FJAF CO[C@@H]1OC[C@@H]2CCC([C@]3(C)CCCC(C)(C)C3)=C([C@H](C)C(=O)O)[C@H]21 85692719 ZACQAWRFBSMZEU-ZSTCXBFXSA-N 350.499 4.639 0 1 FJAF biogenic COc1ccc([C@@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@H]2C)cc1OC 90526625 HSMDOSKNXLVXIP-QNLIWRIUSA-N 356.418 4.517 0 1 FJAF Cc1cccn2c([C@@H]3CC(c4ccc(F)cc4)=NN3)c(-c3ccccc3)nc12 95591644 LCAZGHNRWHWAEP-FQEVSTJZSA-N 370.431 4.888 0 1 FJAF C[C@@H](O)c1cccc(-c2cc(OC(=O)NC3CCCCC3)ccc2O)c1 96273126 BCHNIYXXBVTMRH-CQSZACIVSA-N 355.434 4.534 0 1 FJAF CC(C)CC(=O)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@@]4(C)[C@@H]3CC[C@@]12C 169323782 RDPJISLOFXUIDK-RMIWOTPJSA-N 357.538 4.515 0 1 FJAF CO[C@@H]1C[C@@H]2C[C@H](O[C@H](c3ccccc3)c3ccc(Cl)cc3)C[C@@H]1N2C 169356218 BLHLYSLDSMMWFB-RTOMLYRKSA-N 371.908 4.696 0 1 FJAF Cc1ccc(C)c2[nH]c(-c3cc(O)cc(-c4ccc5c(c4)OCO5)c3)nc12 586914519 SMTRDFZFOWJKLY-UHFFFAOYSA-N 358.397 4.948 0 1 FJAF Oc1cc(-c2ccc3c(c2)OCO3)cc(-c2nc3ccc(F)c(F)c3[nH]2)c1 586915259 KFUWCNPDUBNSID-UHFFFAOYSA-N 366.323 4.609 0 1 FJAF O=S(=O)(Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C1CCCC1 586924721 ULAPRNDQPRMZHS-UHFFFAOYSA-N 372.515 4.572 0 1 FJAF O=Cc1ccc(-c2cc3c4c(c(O)ccc4n2)C(=O)c2ccccc2-3)s1 586993893 LCQYSLHLUKYQQB-UHFFFAOYSA-N 357.390 4.693 0 1 FJAF O=C(Cc1ccsc1)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21 587027210 QNXMCNJKQGKYJF-SNRMKQJTSA-N 365.502 4.699 0 1 FJAF CCOC(=O)c1ccc2nc(CCCOc3ccc(Cl)cc3C)[nH]c2c1 587066494 OPLVASLQRSVVDT-UHFFFAOYSA-N 372.852 4.713 0 1 FJAF CCn1cc(-c2cc3c4c(ccc(C)c4n2)C(=O)c2ccccc2-3)c(C)n1 587099220 ZPRSIPGGFBXIRY-UHFFFAOYSA-N 353.425 4.946 0 1 FJAF Cc1cc(F)c2[nH]c(-c3cc(C(F)(F)F)ncc3Br)nc2c1 587115945 GMXQQHKZGZNBPC-UHFFFAOYSA-N 374.135 4.854 0 1 FJAF Fc1cccc(C2(F)CC(c3nc4cc(Br)cnc4[nH]3)C2)c1 587131325 FBVSRKXQCOEAOJ-UHFFFAOYSA-N 364.193 4.602 0 1 FJAF Cc1cncc2nc(-c3ccc(F)c(-c4ccc(C(=O)O)c(F)c4)c3)[nH]c12 587138247 DTYFJACIJWACSL-UHFFFAOYSA-N 365.339 4.577 0 1 FJAF O=C(Nc1cccc(-c2nc3ccc(Cl)nc3[nH]2)c1)c1ccc(F)cc1 587164113 WPBUPDFWHIYZGS-UHFFFAOYSA-N 366.783 4.670 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccccc1-c1ccccc1C(=O)O)O2 587402958 BNCOCDRWCKBNCD-OAQYLSRUSA-N 373.408 4.649 0 1 FJAF Cc1ccc(-c2ncc([C@H]3CC(=O)c4cc(C)cc(N)c4O3)s2)cc1 587414684 UUFMIMGRVSZXKV-QGZVFWFLSA-N 350.443 4.716 0 1 FJAF COc1cc2c3c(c1)O[C@@](CC(C)(C)C)(c1ccc(F)cc1)[C@@H](C2)C3=O 587426239 BNDQWWYEYHVOSV-JTSKRJEESA-N 354.421 4.913 0 1 FJAF CCCc1c(O)ccc2c1O[C@H]([C@@H](C)Cc1ccc(OC)c(F)c1)CC2=O 587468960 ZFDUKAUFGLKLMW-ZSEKCTLFSA-N 372.436 4.705 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cc(C3CC3)nn1C(C)C)CC2=O 587476982 SKWZASWFYAGMSM-HXUWFJFHSA-N 354.450 4.706 0 1 FJAF O=C1C[C@H](c2ccc(O)c(Br)c2)Oc2c1ccc1c2CCCC1 587506556 YVOWCOUJGGCLKX-GOSISDBHSA-N 373.246 4.740 0 1 FJAF Cc1cc2occ([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)c(=O)c2cc1C 587529642 BTEVSCVEUGSQQP-QFIPXVFZSA-N 374.436 4.995 0 1 FJAF O=Cc1ccc(OCCc2nc3ccc(SC(F)(F)F)cc3[nH]2)cc1 587566389 KGLDIOFAUFEFNW-UHFFFAOYSA-N 366.364 4.609 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc2ccccc2cn1 587588568 TVCQNPVOKODLPW-NZQKXSOJSA-N 369.376 4.643 0 1 FJAF CC(C)c1cnc([C@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)s1 587611332 HZYOPNXIPVAYDT-APWZRJJASA-N 367.426 4.675 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](CCOC2CCCC2)N1 587812883 SHENOAJYBFRHRR-XHDPSFHLSA-N 356.279 4.513 0 1 FJAF C/C=C(C(\C)=C\c1ccc(OC)c(O)c1)/c1cc(OC)c(OC)c(OC)c1 1772581862 AOGNGGSMIOLFPB-ZCFXJLACSA-N 370.445 4.933 0 1 FJAF Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Oc4ccccc4)cc3)c2n1 1772656963 MYMWHEACODUIMJ-UHFFFAOYSA-N 373.412 4.587 0 1 FJAF CC(=O)OC[C@]1(C)CC[C@H](C(C)C)C=C[C@](C)(O)CCC=C(C)CC1=O 2356519437 BHSGVCGSYDQSIG-ILWGZMRPSA-N 364.526 4.615 0 1 FJAF CC1(C)CCC[C@@]2(C)[C@@H]3C(=O)c4c(cccc4C(=O)O)O[C@@]3(C)CC[C@H]12 2356541407 BRJRCUMHFKMNEZ-AOWNQLHBSA-N 356.462 4.961 0 1 FJAF CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 2951093 GDCWSBKEJDSGAK-UHFFFAOYSA-N 361.401 4.680 0 3 FJAF aggregator C[C@]1(c2nnc(-c3cccc(Cl)c3)o2)CC(c2ccc(F)cc2)=NO1 12476817 ALKPURORZXZVMK-GOSISDBHSA-N 357.772 4.569 0 3 FJAF O=C1O[C@@H](O)C(c2ccc3ccccc3c2)=C1c1ccc2ccccc2c1 28640254 BJPSFVGDBFALRM-HSZRJFAPSA-N 352.389 4.779 0 1 FJAF O=C(N[C@@H]1CCc2ccccc2C1)c1cc(-c2ccco2)nc2ccccc12 66166740 XKSOMIKEMSJFKO-GOSISDBHSA-N 368.436 4.782 0 1 FJAF O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(C4(O)CCC4)cc3F)cc12 205351888 HFTSUSPGKRQUGS-UHFFFAOYSA-N 359.784 4.697 0 1 FJAF O=[S@@](Cc1nc2ccc(F)cc2[nH]1)C(c1ccccc1)c1ccccc1 586959231 JVYZYWSXVBDUJR-SANMLTNESA-N 364.445 4.740 0 1 FJAF Nc1cc(F)cc(F)c1-c1cc2c3c(c(O)ccc3n1)C(=O)c1ccccc1-2 586986876 PWOSSIKFYZUSHR-UHFFFAOYSA-N 374.346 4.679 0 1 FJAF O=Cc1cccc(OCc2cc3c4c(cccc4n2)C(=O)c2ccccc2-3)c1 587106184 IUSHXZGYMAYHGO-UHFFFAOYSA-N 365.388 4.838 0 1 FJAF COC(=O)c1ccc2nc(-c3cnc4ccc(C(F)(F)F)cc4c3)[nH]c2c1 587111310 DMIRCJTXOMAQNH-UHFFFAOYSA-N 371.318 4.584 0 1 FJAF Oc1c(Br)ccc2nc([C@H]3C[C@@H]3c3cccc(F)c3F)[nH]c12 587152299 LOARNBNBLSZQJD-BDAKNGLRSA-N 365.177 4.580 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cncc(C)c4[nH]3)c(F)c2)c(F)c1 587152537 PKDPPZWVGOLMBQ-UHFFFAOYSA-N 351.356 4.887 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(C)c(Br)c(C)c1)O2 587378604 WCOBHVFJUJIPBK-INIZCTEOSA-N 360.251 4.663 0 1 FJAF COc1cc2c3c(c1)O[C@@]1(CCCCc4ccc(Cl)cc41)[C@@H](C2)C3=O 587421870 OBFUXESNKXMOMM-LAUBAEHRSA-N 354.833 4.718 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cccn1-c1ncc(C)s1)CC2=O 587495186 NTLGSBQRBSAMTJ-GOSISDBHSA-N 368.458 4.607 0 1 FJAF Cn1ccc2c([C@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)cccc21 587574453 AZALMLHGNNNKFY-NFBKMPQASA-N 371.392 4.587 0 1 FJAF C[C@]1(CCc2ccccc2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587604765 YCLAENGQPCUYEE-NFBKMPQASA-N 360.409 4.745 0 1 FJAF CC[C@]1(c2cccs2)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587609945 FAVQTVXSFSSBMP-YLJYHZDGSA-N 352.411 4.721 0 1 FJAF COc1cccc(-c2cc(O)cc(-c3nc4cc(OC)c(F)cc4[nH]3)c2)c1 587933562 QNZJXWQJCMCKPK-UHFFFAOYSA-N 364.376 4.759 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@@]1(C)c1ccc(N2CCOCC2)s1 963230474 POUDDDNZQKNSJN-JTSKRJEESA-N 370.562 4.505 0 1 FJAF CC(C)Oc1ccc(C(=O)CC(=O)c2ccccc2OC(F)(F)F)cc1 1857558952 KHXQUCNYWWJNSQ-UHFFFAOYSA-N 366.335 4.828 0 1 FJAF CC[C@@H](C)Oc1c(-c2ccc(OC)c(OC)c2)oc2ccccc2c1=O 1857774035 SHNNXCOMZKBYPM-CYBMUJFWSA-N 354.402 4.655 0 1 FJAF COc1ccc2c(C)cc(C)cc2c1-c1ccc2c(c1)[C@@](C)(O)N[C@H](C)C2 2356697404 HMLSYQKZLKHYSQ-VOIUYBSRSA-N 361.485 4.831 0 1 FJAF CCCN(c1nc(-c2ccc(Cl)cc2OC)n(C)n1)C(C1CC1)C1CC1 13610629 PSQXEYSWQHCNDE-UHFFFAOYSA-N 374.916 4.549 0 1 FJAF CCCN(CCC)c1[nH]c(C)nc2c(-c3c(C)cc(C)cc3C)nnc1-2 100819022 YPOLAVSCFHPDKK-UHFFFAOYSA-N 351.498 4.832 0 1 FJAF COc1c(O)c2c(c(O)c1C(=O)C(C)C)C=C[C@@](C)(CCC=C(C)C)O2 238770660 SOFPGLXIKIUXDF-OAQYLSRUSA-N 360.450 4.856 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)cs2)cc1 587016160 QJNBZPJGVQVUMX-UHFFFAOYSA-N 367.405 4.753 0 1 FJAF NC(=O)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063619 XNAVHCCAKLPULR-UHFFFAOYSA-N 361.832 4.573 0 1 FJAF Cc1ccc(C)c2[nH]c(CCc3nnc(-c4ccc(Cl)cc4)o3)nc12 587076081 IMWHOWAYOBROCK-UHFFFAOYSA-N 352.825 4.668 0 1 FJAF FC(F)=C(C[C@@H]1CCCN1)c1nc2ccc(SC(F)(F)F)cc2[nH]1 587088535 OIDIKGJLLIESNU-QMMMGPOBSA-N 363.355 4.925 0 1 FJAF Fc1cc(Cl)cc2[nH]c(-c3n[nH]c4cc(OC(F)(F)F)ccc34)nc12 587127385 RZGGRRGRLVANHY-UHFFFAOYSA-N 370.693 4.797 0 1 FJAF COc1ccc2nc(-c3cccc(N)c3Nc3cc(C)cc(C)c3)[nH]c2n1 587240898 KKSZTKPSXCARRE-UHFFFAOYSA-N 359.433 4.576 0 1 FJAF COc1cccc(-c2c3c(nc4c2oc2ccccc24)C[C@@H](CC(=O)O)C3)c1 587366707 PZBJFOXMCKNMLV-ZDUSSCGKSA-N 373.408 4.846 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cc(F)c(Cl)cc1Cl)O2 587381896 MVRVUWHVXRGHIP-QGZVFWFLSA-N 354.208 4.904 0 1 FJAF Cc1cccc2[nH]cc([C@@H]3Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)c12 587589033 MTDZXOZVOMJNDF-OFNKIYASSA-N 371.392 4.885 0 1 FJAF Cc1ccc(F)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)c1 587721457 VVGIGZXWTRNEPX-VOJFVSQTSA-N 366.249 4.833 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccn(C(C)(C)C)c2)N1 587752143 BYVXCQDMSZAMLO-APPDUMDISA-N 365.290 4.768 0 1 FJAF COc1ccc([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)cc1C 587804550 BSIYMIBUTNXWAG-ZMZPIMSZSA-N 364.258 4.529 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2C(C2CCC2)(C2CCC2)N1 587820477 PNZJANDRMLALIB-NSHDSACASA-N 352.291 4.918 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccn2C(=O)OC(C)(C)C)N1 962962910 YSLWGNBRBTYJEU-VLIAUNLRSA-N 365.477 4.766 0 1 FJAF COc1cc(OC)cc(-c2cnc3cnc(-c4cccc(C)c4C)cn23)c1 1857581649 JYMULFVUVRKBOH-UHFFFAOYSA-N 359.429 4.697 0 1 FJAF Cc1cc(NC(=O)Cc2coc(-c3ccccc3)n2)n(C2CCCCC2)n1 1857619928 FPVNYVJCRKFJQI-UHFFFAOYSA-N 364.449 4.533 0 1 FJAF COc1ccc([C@@H]2O[C@H](c3ccc4c(c3)OCCO4)[C@H](C)[C@H]2C)cc1OC 2356524673 BBSVRRFIUUMCCG-SRLQQUAWSA-N 370.445 4.560 0 1 FJAF CCC(CC)c1nc2cc(NC(=O)c3ccccc3)c(N(C)C)cc2[nH]1 2382225098 UBFXTCYOLFVEFP-UHFFFAOYSA-N 350.466 4.785 0 1 FJAF CCc1cc2c(nc1CC)CCCN2Cc1ccc(Br)cc1 199726861 WOQXOHFKUJOVJQ-UHFFFAOYSA-N 359.311 4.922 0 3 FJAF Cc1nc2cc(C(=O)NC3CCCCCC3)ccc2n1-c1cccc(F)c1 3025798 JYUDUDFERUVPNU-UHFFFAOYSA-N 365.452 4.926 0 1 FJAF COc1ccc(OCc2ccccc2NC(=O)c2ccc(OC)cc2)cc1 13557958 PYJNIUNJMBPWIJ-UHFFFAOYSA-N 363.413 4.535 0 1 FJAF C[C@H]1C=C2N(C)C(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCCO4)[C@@H]21 26388154 SSFLLJHYNMDQDP-PMSBNLIDSA-N 357.538 4.770 0 1 FJAF CCCc1ccc2[nH]c3c(c2c1)CCN[C@H]3Cc1ccc(OC)c(OC)c1 26674940 ALCNGWSUVIHDOX-FQEVSTJZSA-N 364.489 4.567 0 1 FJAF CC1CCN(CCCn2c3ccccc3c3nc4ccccc4nc32)CC1 31848212 VNIVBWLDLMBUJG-UHFFFAOYSA-N 358.489 4.860 0 1 FJAF Cc1cc(NC(=O)Nc2ccc(-c3ncccn3)cc2)c2ccccc2n1 64409762 CIFJYAMSSPGZFE-UHFFFAOYSA-N 355.401 4.644 0 1 FJAF Cc1c(Cl)cccc1Oc1cccn2c([C@@H]3CCCCC[C@H]3O)nnc12 72109148 JGUHONHSPUGTCT-GDBMZVCRSA-N 371.868 4.892 0 1 FJAF CC(C)NC(=O)c1cccc(NC(=O)Nc2ccc(-c3ccncc3)cc2)c1 73293202 WJTBCUZNVGPRTM-UHFFFAOYSA-N 374.444 4.531 0 1 FJAF CCOC(=O)N1C(=O)C2(CCCCCCC2)N(c2ccc(C)cc2)C1=S 95872344 VBZHWZWUESNMNK-UHFFFAOYSA-N 374.506 4.568 0 1 FJAF COc1cc2nc(-c3cc(NC(=O)C(C)C)ccc3Cl)[nH]c2cc1C 587051702 TZBMKLDMOXCBPM-UHFFFAOYSA-N 357.841 4.795 0 1 FJAF CC[C@@H](C)n1cc(Cl)c(-c2nc3c(F)c(Br)ccc3[nH]2)n1 587080610 RFPBNBGZBWJQHS-SSDOTTSWSA-N 371.641 4.952 0 1 FJAF COc1cc2[nH]c(C(=O)c3c(Cl)ccc(F)c3Cl)nc2cc1C 587132596 FDDRPFBXMFUNQS-UHFFFAOYSA-N 353.180 4.557 0 1 FJAF CC(C)Oc1cc2nc(-c3ccc(F)c(N)c3)[nH]c2cc1Br 587139531 NLAHYRXWYPSZAS-UHFFFAOYSA-N 364.218 4.501 0 1 FJAF COc1ccccc1Nc1ccccc1-c1nc2ccc(CCO)cc2[nH]1 587240023 FBHAIJMYMCLUFM-UHFFFAOYSA-N 359.429 4.517 0 1 FJAF C[C@]1(c2cccc(O)c2)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346634 AAVWNMXWJXUXHW-IFMALSPDSA-N 364.372 4.511 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)CC(C)(C)c2cc(OC)ccc21 587484115 WINYWYGGQLKQLV-HSZRJFAPSA-N 366.457 4.895 0 1 FJAF O=Cc1ccc(OCCc2nc3ccc(OCc4ccccc4)cc3[nH]2)cc1 587566857 ZAJYQUKYOVBGRK-UHFFFAOYSA-N 372.424 4.576 0 1 FJAF Cc1cccc2cc([C@H]3Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)[nH]c12 587591967 XOZHNRVEASSYDX-WMZHIEFXSA-N 371.392 4.885 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cn(C)c3ccccc23)N1 587758653 RHQLNYSSRAMEQL-NSPYISDASA-N 373.269 4.704 0 1 FJAF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1-c1nc(C)cc(C)n1 587860345 RHTDYIASOZQSBR-UHFFFAOYSA-N 363.248 4.652 0 1 FJAF COc1ccc2c(c1)C[C@H](c1nc3ccc(OC(F)(F)F)cc3[nH]1)CC2 587938291 UKPHDUKNNHKILF-GFCCVEGCSA-N 362.351 4.743 0 1 FJAF COc1ccc(-c2ccc(C)cc2NCCCn2ccnc2C)cc1OC 1772654150 YHSHKOQQTWGUBZ-UHFFFAOYSA-N 365.477 4.686 0 1 FJAF COc1cccc(CCN2CCN(c3ccccc3-c3ccccc3)CC2)c1 1857646177 DIBDPOHLDFFTGB-UHFFFAOYSA-N 372.512 4.727 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](C(=O)OC(C)(C)C)c1ccc2ccccc2c1 36387549 IJTVIURYPFOLCT-QGZVFWFLSA-N 357.450 4.747 0 3 FJAF Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3cccs3)ccc12 2488404 UCTSEHMMSSIODN-UHFFFAOYSA-N 369.446 4.998 0 1 FJAF aggregator,in-vitro CCCN(CCC)CCc1ccc(OC)cc1OCCc1ccccc1 13795728 MIDKBWYXSPDSHV-UHFFFAOYSA-N 355.522 4.981 0 1 FJAF CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccc(-n3ccnn3)cc21 28571324 FPQRVMRURWGBHW-LIRRHRJNSA-N 373.287 4.760 0 1 FJAF O=C(NC1CCN(CCCc2ccccc2)CC1)c1ccc2ccccc2c1 28707269 OSQRDEDFKRDSTQ-UHFFFAOYSA-N 372.512 4.667 0 1 FJAF C[C@@H](Sc1ccc(Oc2cnc3ccc(Cl)cc3n2)cc1)C(=O)O 29477372 QSIJCMMZKLLFLT-SNVBAGLBSA-N 360.822 4.641 0 1 FJAF Fc1cccc(F)c1Cn1c(-c2c(F)cccc2F)nc2ccncc21 40753451 WREGMWYPFMHMAN-UHFFFAOYSA-N 357.310 4.703 0 1 FJAF CCO[C@@H]1CC[C@@H]2[C@H](CC[C@H](/C=C/c3ccc(O)c4ncccc34)N2C)C1 73353135 ZOYLVBQKNCQNAG-WMIMLKLNSA-N 366.505 4.622 0 1 FJAF CCC(=O)N[C@H]1c2cncc(-c3ccc(C(F)(F)F)cc3)c2CC[C@@H]1C 205713392 XWASZJSYLNOOBU-HXPMCKFVSA-N 362.395 4.917 0 1 FJAF O=C(NCc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCc2ncsc21 220887220 BNDGPZKLQURCND-GOSISDBHSA-N 364.470 4.672 0 1 FJAF Cc1ccc2c(ccc3nc(C4(c5ccccc5)CCC(=O)CC4)[nH]c32)n1 586877657 JKPSBXHJWCNQEX-UHFFFAOYSA-N 355.441 4.849 0 1 FJAF OCc1ccc2nc(-c3cc(Cl)cc(Cl)c3Br)[nH]c2c1 586975658 OZZBWJXBMNONQF-UHFFFAOYSA-N 372.049 4.792 0 1 FJAF Cc1ccc2nc(/C=C\c3cc(Br)c4c(c3)OCCO4)[nH]c2c1 587002539 WEXMWLDZLZUVTC-HYXAFXHYSA-N 371.234 4.575 0 1 FJAF Cc1c(Br)ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c12 587036482 CODFLOMLTJDKDM-ZDUSSCGKSA-N 363.280 4.552 0 1 FJAF CC1(C)[C@H](/C=C(\Cl)c2ccc(Cl)cc2)[C@@H]1c1nc2ncc[nH]c-2n1 587070853 IEBSFAIWMGUSSP-XWJOTYRJSA-N 359.260 4.977 0 1 FJAF COC(=O)c1cccc2[nH]c(-c3ccc4ccc(Cl)c(Cl)c4n3)nc12 587083394 RDINFAQKEVIOPR-UHFFFAOYSA-N 372.211 4.872 0 1 FJAF O=C1C[C@H](c2cnc(-c3ccccc3F)nc2)Oc2c1ccc1c2CCCC1 587501919 GSGKWSYMENQFEA-OAQYLSRUSA-N 374.415 4.868 0 1 FJAF COc1ccc2c(c1)[C@]1(CCCO2)CC(=O)c2ccc3c(c2O1)CCCC3 587536456 TZMMXLNKXPFEEU-QHCPKHFHSA-N 364.441 4.607 0 1 FJAF CCC(C)(C)c1ccc(OCc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1 587564226 GOHYQFVQHWNKHR-UHFFFAOYSA-N 356.397 4.667 0 1 FJAF Cc1c(-c2ccc(C(F)(F)F)cc2)[nH]c2ccc(S(C)(=O)=O)cc12 587649422 JHNJIOKCHPHQHN-UHFFFAOYSA-N 353.365 4.566 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@H](c2ccccc2Cl)N1 587699603 STIIDJMALMNYTD-XXFAHNHDSA-N 354.650 4.865 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](CCCc2ccccn2)N1 587772005 MUMDHFYUCGXGPG-WBMJQRKESA-N 363.274 4.581 0 1 FJAF CSC(C)(C)C[C@]1(C)N[C@@H](C)Cc2cc(Br)c(F)cc21 587841214 QRDZNVFRWLLIKV-QFYYESIMSA-N 360.336 4.869 0 1 FJAF O=C(O)c1cc(Cl)c(-n2nc3cc2Oc2ccc(F)cc2-3)c(Cl)c1 587873156 VJDGPTFGEVEMKK-UHFFFAOYSA-N 365.147 4.789 0 1 FJAF CCn1c(=S)sc2c(SCC(=O)c3ccc(C)cc3)ncnc21 957877286 MGDUJCWKNCSMIO-UHFFFAOYSA-N 361.517 4.526 0 1 FJAF CCCCCC[C@]1(c2ncco2)c2c(ccc(OC)c2OC)C[C@@H](C)N1C 962633182 JZQTYLCVEDUSBL-OPAMFIHVSA-N 372.509 4.782 0 1 FJAF COC(=O)[C@@H]1CC[C@]2(CC1(C)C)NCCc1cccc(-c3ccccc3)c12 962670871 VKCFYYSIYIHABO-GBXCKJPGSA-N 363.501 4.694 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@H]2c1ccc(C)c(Br)c1 963258562 OGOSWNKNFFEQES-KRWDZBQOSA-N 366.686 4.655 0 1 FJAF CO[C@H]1O[C@@H](OC)C2=CCC=C(C)C[C@H](O)[C@@H]([C@H](C)CCC=C(C)C)[C@@H]21 2356503422 HHOTZDHXDANUOI-ORLNPVNMSA-N 364.526 4.604 0 1 FJAF CC(C)=CCCC(C)=CCc1cc(C(=O)O)cc2c1O[C@@H](C(C)(C)O)C2 2356834656 KDOKRXUDHVXOHF-LJQANCHMSA-N 358.478 4.694 0 1 FJAF COc1ccc(C(=O)O[C@@H]2CC(C)=CC[C@]3(C)CC[C@@](O)(C(C)C)[C@@H]23)cc1 14956411 PLWGJLHNBNMJOH-IRMYBRCSSA-N 372.505 4.764 0 1 FJAF biogenic,in-vitro CC(C)CNc1cc(CCc2ccccc2)nc(NCc2ccccc2)n1 40429223 NZSOCGCVTLRCCI-UHFFFAOYSA-N 360.505 4.942 0 1 FJAF C[C@H](C(=O)N1CCCCC1)c1ccc2c(c1)SC[C@@H]1CCCC[C@H]1C2=O 58519231 HCSCBGKMVNYQNJ-RYQLBKOJSA-N 371.546 4.897 0 1 FJAF Cc1nc(-c2cnc(NC3CCCC3)nc2-c2ccc(F)cc2)oc1C 82164068 UBDCNPCUVIDYAF-UHFFFAOYSA-N 352.413 4.909 0 1 FJAF CCCC[C@]12C[C@]1(C(=O)OCC=C(C)C)C(=O)Nc1ccc(Cl)cc12 101489081 JUINEQCYLQNDPS-WOJBJXKFSA-N 361.869 4.620 0 1 FJAF COc1c(O)cc2oc(-c3ccc(-c4ccccc4)cc3)cc(=O)c2c1O 200612388 YZYTUGGFILDFRY-UHFFFAOYSA-N 360.365 4.547 0 1 FJAF COC(=O)[C@H](c1nc2c(C)ccc3c2c(c1C)-c1ccccc1C3=O)C(C)C 587097926 PHFLJVUQOXKEPL-SFHVURJKSA-N 373.452 4.976 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc3ccccc3cc2[nH]1 587116996 PDCXDTAKHDZMPI-UHFFFAOYSA-N 350.731 4.789 0 1 FJAF N[C@@H](N=O)c1ccc2[nH]c(-c3sccc3-c3ccc(F)cc3)nc2c1 587164854 DGYMCIXNTULTJD-KRWDZBQOSA-N 352.394 4.821 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2cncc(Cl)c2[nH]1 587192702 ZOLPLLLZDSRKRG-MRXNPFEDSA-N 372.856 4.568 0 1 FJAF COc1cccc(-c2cc(C[C@H](C)C(=O)O)nc3c2oc2ccccc23)c1 587367886 ZUUCZUZNFRNBHB-ZDUSSCGKSA-N 361.397 4.920 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccccc1COc1ccccc1)O2 587399749 LUVNEKATWZHRTA-QFIPXVFZSA-N 359.425 4.863 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1ccc(F)c(OC(F)F)c1)CC2=O 587465577 IKMCPTCAWRKRTN-MRXNPFEDSA-N 366.335 4.792 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(CCc1c(F)cccc1F)CC2=O 587465660 JIOJXEXTCGBKGL-OAQYLSRUSA-N 360.400 4.980 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1ccnn1-c1ccccc1C)CC2=O 587476337 OMMSSMKTVQDFKK-NRFANRHFSA-N 362.429 4.545 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCOc3ccc(C)c(C)c31)CC2=O 587485850 KHGBTXXEHXILFS-JOCHJYFZSA-N 352.430 4.605 0 1 FJAF Cc1cc([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)ncc1Br 587498438 NWKVFSWXINSJIH-SFHVURJKSA-N 372.262 4.738 0 1 FJAF O=C1C[C@H](c2c(Cl)c[nH]c3nccc2-3)Oc2c1ccc1c2CCCC1 587498441 IMAFFBFZDVDOMI-QGZVFWFLSA-N 352.821 4.753 0 1 FJAF CSCc1ccc([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587842225 DBRRJDJSHGAZDU-ABKXIKBNSA-N 370.287 4.668 0 1 FJAF COc1cc(C)ccc1-c1nc2cc(Br)cc(Cl)c2[nH]1 587924741 DGGAQBNTARJAFZ-UHFFFAOYSA-N 351.631 4.963 0 1 FJAF COc1ccc2cc([C@@H](C)c3nc4cc5c(cc4[nH]3)OCCO5)ccc2c1 587934651 LRZIOUSVVHYPLJ-CYBMUJFWSA-N 360.413 4.648 0 1 FJAF Brc1ccnc2[nH]c(Cc3cccc(-c4ccccc4)c3)nc12 587960919 GVYDCQQOWBTFOL-UHFFFAOYSA-N 364.246 4.978 0 1 FJAF CCCC[C@H](CC)CC(C)=C[C@](O)(CC)C[C@@H](CC)[C@@H](O)CC(=O)O 2356509232 IKTPWVGSUROYSG-YOUFYPILSA-N 356.547 4.932 0 1 FJAF CC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCCC2(CCCCC2)C1 20098397 ZUDUIVDMNJJWCM-QGZVFWFLSA-N 373.570 4.625 0 3 FJAF CC(C)(C)OC(=O)CCCc1ccc2c(c1)C(=O)c1sccc1CO2 27211141 JJHQLFDCHBEDIN-UHFFFAOYSA-N 358.459 4.536 0 1 FJAF COc1ccc(-c2c3c(nc4ccc(O)cc24)-c2ccc(O)cc2OC3)cc1 28949800 GKRORYXGWZWHID-UHFFFAOYSA-N 371.392 4.881 0 1 FJAF CCNC(=O)OC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)OCC 29252903 CRINQPJIWVCUGV-DEMGNSTBSA-N 353.503 4.773 0 1 FJAF Cc1c2c(c3cc(CCC(=O)N4CCCC4)oc3c1C)CCC(C)(C)O2 43073399 FXZKUETVSFBXMF-UHFFFAOYSA-N 355.478 4.708 0 1 FJAF COc1ccc2cc(C3=NCCc4cc(Cl)c(O)cc4N3)ccc2c1 45315725 CKOGQSGSYRJMCV-UHFFFAOYSA-N 352.821 4.622 0 1 FJAF CC12CCCc3cc(C(=O)Nc4ccc(C(=O)O)c(F)c4)cc(c31)CCC2 59027718 PXCCPUPTKXBTBI-UHFFFAOYSA-N 367.420 4.707 0 1 FJAF CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4cccnc4)cc23)CC1 95582389 VECJPOGHJKAQGZ-UHFFFAOYSA-N 368.484 4.897 0 1 FJAF O=C1c2ccccc2-c2cc(-c3ccc4c(c3)OCO4)nc3ccc(O)c1c23 586991080 LBAHGSAAXPXVBR-UHFFFAOYSA-N 367.360 4.548 0 1 FJAF CN(C)C(=O)c1ccc2nc([C@@H]3C[C@@H]3c3c(Cl)cccc3Cl)[nH]c2c1 587052175 XNCSIVLKCVJOCL-NWDGAFQWSA-N 374.271 4.843 0 1 FJAF OCCc1ccc2nc(/C=C/c3ccc(SC(F)(F)F)cc3)[nH]c2c1 587126228 WJOJDEQIYYAVOJ-XBXARRHUSA-N 364.392 4.880 0 1 FJAF FC(F)c1nc(-c2ccccc2)sc1-c1nc2c(Cl)ncnc2[nH]1 587127956 CNNZVLTVKIBFSB-UHFFFAOYSA-N 363.780 4.734 0 1 FJAF COc1cc2nc(-c3ccccc3C(=O)c3ccc(F)cc3)[nH]c2cc1C 587163870 VPTNFJCYJRTRQA-UHFFFAOYSA-N 360.388 4.917 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(-c3ccc(C=O)o3)cc1)O2 587407551 CIMPZRZRHCQJRN-JOCHJYFZSA-N 361.397 4.530 0 1 FJAF COc1cccc(CC[C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1F 587502954 JEFHJXJOEFIXML-MRXNPFEDSA-N 354.421 4.680 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1c1ccnc2ccccc12 587585481 DZLORQYUDOBUCN-NFBKMPQASA-N 369.376 4.643 0 1 FJAF CC(C)c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2c1-n1cncn1 587628758 ZIIHOXVSEXUZLV-UHFFFAOYSA-N 362.277 4.910 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(Cc2ccc(F)cc2)N1 587729880 DUWHIIQTOVWYTR-ADLMAVQZSA-N 366.249 4.719 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3ccccn3c2)N1 587773675 REDPSIZGVQMWMA-HXPMCKFVSA-N 373.269 4.639 0 1 FJAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1cccc(Cl)c1 587867660 BTWIWRQFEULIOQ-UHFFFAOYSA-N 353.731 4.615 0 1 FJAF COc1cccc(-c2cn3nc(-c4cn(C)c5ccccc45)sc3n2)c1 1857535942 OWUJNPAOWXCIOL-UHFFFAOYSA-N 360.442 4.625 0 1 FJAF Brc1ccc2nc(N[C@@H]3OCCc4ccccc43)sc2c1 1857755147 MZNIFEBAIJWJCM-OAHLLOKOSA-N 361.264 4.742 0 1 FJAF O=C(O)[C@H](CC=CCCCCCCCC[C@H]1C=C(CO)CC1)CCCO 2356763828 UBGUJVICJUKELH-TZIWHRDSSA-N 366.542 4.856 0 1 FJAF CCCCOC(=O)Nc1cc2[nH]c(-c3cccs3)nc2cc1N(C)C 2382244677 TUNQDMXOZCUHHL-UHFFFAOYSA-N 358.467 4.706 0 1 FJAF COC(=O)c1nnc(Nc2ccc(Oc3ccccc3)cc2)c2ccccc12 6397462 YUFGHUZORXJOSN-UHFFFAOYSA-N 371.396 4.952 0 1 FJAF Cc1noc(C)c1-c1ccc2ncnc(NCc3cc(F)cc(F)c3)c2c1 13828559 GWTDAQJUDMROTN-UHFFFAOYSA-N 366.371 4.792 0 1 FJAF Fc1ccc(-c2ncoc2-c2ccc3nnc(-c4ccccc4)n3c2)cc1 14961304 QCJWBKMIGDTPMY-UHFFFAOYSA-N 356.360 4.857 0 1 FJAF O=C(Nc1cc(-c2ccccc2)ns1)c1ccc(Nc2ccncn2)cc1 28953189 KXEJVZKQEBAGBL-UHFFFAOYSA-N 373.441 4.596 0 1 FJAF CN1CCC(c2cn(-c3ccncc3)c3ccc(-c4ccncc4)cc23)CC1 95585586 IRZPPSVFNZCDTA-UHFFFAOYSA-N 368.484 4.897 0 1 FJAF Cc1nc(N2CCCc3cc(Br)ccc32)c2ccccc2n1 103250697 RVPMYQYGLYPHQM-UHFFFAOYSA-N 354.251 4.785 0 1 FJAF CC1=CC[C@H]2C(C)(C)[C@@H](OC=O)CC[C@]2(C)[C@H]1CC[C@H](C)CCOC=O 238755808 CRPYXIIRNMAXKP-XZMCUBLMSA-N 364.526 4.916 0 1 FJAF CCCCCCc1c(C)c2ccc(N(CC)CCCC(=O)O)cc2oc1=O 473113570 JJPDGBBKMJDXCF-UHFFFAOYSA-N 373.493 4.915 0 1 FJAF O=Cc1cc(Br)cc(-c2nc3cc(Cl)nc(Cl)c3[nH]2)c1 586983253 XOCAYMNCIQQTTQ-UHFFFAOYSA-N 371.021 4.507 0 1 FJAF Nc1cc2nc(-c3ccc(-c4cc(Cl)ccc4Cl)o3)[nH]c2cc1N 587052083 XURGPMLCENQVAM-UHFFFAOYSA-N 359.216 4.961 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(F)cc2[nH]1 587192620 WXYVDGGPTUVUNW-QGZVFWFLSA-N 355.413 4.658 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCCc3cc(N)ccc31)CC2=O 587472589 KPDBYIHZFWLFRG-QFIPXVFZSA-N 351.446 4.514 0 1 FJAF O=C1C[C@H](c2cc(CN3CCCC3)cs2)Oc2c1ccc1c2CCCC1 587531121 JTXGBIAQRXTIJD-HXUWFJFHSA-N 367.514 4.929 0 1 FJAF CN(C)/C=C\[C@]1(c2cccs2)CC(=O)c2ccc3c(c2O1)CCCC3 587532748 SIWXBOQROZNDST-AXUYNXDZSA-N 353.487 4.563 0 1 FJAF Cc1cc(Cl)cc2c(N3C(=O)CCC3=O)c(-c3ccccc3F)[nH]c12 587624813 SVQMLGZKAJDQSJ-UHFFFAOYSA-N 356.784 4.589 0 1 FJAF Cc1nn(CCc2nc(-c3cc(F)ccc3F)cs2)c(C)c1Cl 587921796 ZWIBOHWOKTYOPD-UHFFFAOYSA-N 353.825 4.798 0 1 FJAF Cc1ccoc1C(=O)Nc1ccc(N2C(=O)Cc3ccccc32)c(Cl)c1 653733735 BMRLAGDMIUKPFU-UHFFFAOYSA-N 366.804 4.715 0 1 FJAF CC[P@@](=O)(OC)c1ccc2oc(-c3ccc4cnccc4c3)nc2c1 1911578680 ZWDKFJHUHPERRH-RUZDIDTESA-N 352.330 4.613 0 1 FJAF CC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CCC23OCCO3)C1 2356448059 NPOYAOIFAQWWBZ-ZFELAIKPSA-N 362.554 4.913 0 1 FJAF C[C@@H]1Sc2ccccc2N(Cc2ccc(OC(F)(F)F)cc2)C1=O 61929400 MQHWTBGOWAWHEM-NSHDSACASA-N 353.365 4.613 0 3 FJAF O=C(O)c1cccc(Cc2cc(Cl)ccc2OCC2CCCCC2)n1 40893887 UGRHPRLUCLRQPR-UHFFFAOYSA-N 359.853 4.983 0 1 FJAF COc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1 40953093 AVCWXYCDBRFSPG-HNNXBMFYSA-N 358.445 4.911 0 1 FJAF COc1ccc(OC)c(-c2ccc(C(=O)N(C)c3c(C)cccc3C)o2)c1 71331476 JJUDNHMSXGLIAQ-UHFFFAOYSA-N 365.429 4.857 0 1 FJAF CCCOCCCNc1ncc(-c2nc(C)c(C)o2)c(-c2ccccc2)n1 82162474 YTRQEFXVOIZHDB-UHFFFAOYSA-N 366.465 4.644 0 1 FJAF Nc1nccn2c(C3CCC3)nc(-c3ccc(Oc4ccccc4)c(O)c3)c12 96168129 ZSUIFNPIKGXHBP-UHFFFAOYSA-N 372.428 4.744 0 1 FJAF CN(C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1 96913294 JIQRGRKJWRYOSG-UHFFFAOYSA-N 370.905 4.943 0 1 FJAF O=C(Nc1ccccc1F)C1=C(O)CCn2c1nc1ccc3ccccc3c12 100018412 AGTDVRVTXKLPPH-UHFFFAOYSA-N 373.387 4.640 0 1 FJAF CCN(Cc1ccccc1)[C@H]1CC[C@H]([C@H](N)Cc2cc(F)ccc2F)CC1 101403046 QUWKQLILDNQOAB-RZFNWQHOSA-N 372.503 4.916 0 1 FJAF O=C1c2ccccc2N2O[C@]3(N4CCCC4)CCCC[C@H]3[C@@]12c1ccccc1 299814216 RHTNTPVCOFBZJY-JRFVFWCSSA-N 374.484 4.512 0 1 FJAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)CCc1ccccc1 473124934 XPWZVZRASOIWHR-UHFFFAOYSA-N 355.821 4.814 0 1 FJAF CC[C@@H]1OCCC[C@H]1c1nc2cc(OC(C)C)c(Br)cc2[nH]1 586908667 CORFVWIEDADUME-ABAIWWIYSA-N 367.287 4.785 0 1 FJAF Cc1ccc(-c2nnc(SCc3nc4ccc(Cl)cc4[nH]3)n2C)cc1 586965227 LYWPIFMPPKXPFG-UHFFFAOYSA-N 369.881 4.613 0 1 FJAF O=C1c2ccccc2-c2cc(CCc3ccccc3)nc3ccc(O)c1c23 586991931 RRCLTURXYLQUFB-UHFFFAOYSA-N 351.405 4.937 0 1 FJAF O[C@H](c1ccc(Br)cc1)c1nc2cc(Cl)cc(Cl)c2[nH]1 586997037 LSWKTMNHBQVBNV-CYBMUJFWSA-N 372.049 4.714 0 1 FJAF CCC[C@@H](C(=O)OCC)c1cc2c3c(cccc3n1)C(=O)c1ccccc1-2 587105633 BSWYGRXZNVZCNT-MRXNPFEDSA-N 359.425 4.893 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(NC(=O)OC(C)(C)C)cc1)O2 587391101 RZBVCOHTKBUKIW-GOSISDBHSA-N 368.433 4.631 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H](C)c1nc4ccccc4s1)[C@@H](C2)C3=O 587451236 JGVDWONLDDNVSZ-YLTSQODRSA-N 365.454 4.615 0 1 FJAF O=C1C[C@](c2ccccc2)(c2ccncc2)Oc2c1ccc1c2CCCC1 587514629 INFNKWAXDSWIQI-DEOSSOPVSA-N 355.437 4.869 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](C)(Cc2ccccc2F)N1 587731766 ZRHXJPPKCIGAAP-VOJFVSQTSA-N 366.249 4.719 0 1 FJAF CC[C@]1(c2ccc(C)o2)N[C@H](C)Cc2cc(Br)c(F)cc21 587831754 YDYROUXJCHUDPY-QGHHPUGFSA-N 352.247 4.677 0 1 FJAF COc1ccc2c(c1)[C@@H](c1conc1Cc1ccccc1)N(C(C)C)CC2 962094808 SSUFQPSAVXSGOU-QHCPKHFHSA-N 362.473 4.630 0 1 FJAF Cc1c(F)ccc2c1[C@@H]([C@H]1CCCN(Cc3ccccc3)CC1)NCC2 962298523 MOEWNZPVTRUJRC-NZQKXSOJSA-N 352.497 4.623 0 1 FJAF CCC(CC)(C(=O)OC)[C@]1(C)NCCc2cccc(-c3ccccc3)c21 962664983 JCAHFHBTIMLSOF-JOCHJYFZSA-N 351.490 4.694 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@]3(c1ccc(Cl)cc1)C(C)C 963046551 KOKDCTOTCWUQMV-JOCHJYFZSA-N 366.892 4.942 0 1 FJAF COC(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccc(Cl)cc2)s1 628430 PJFKSQIMKLQERC-UHFFFAOYSA-N 372.833 4.873 0 3 FJAF CN(Cc1ccc(F)cc1)c1ccc2c(-c3ccc(F)cc3)noc2n1 205223783 FITAFIQLXUNIPV-UHFFFAOYSA-N 351.356 4.804 0 3 FJAF CC(C)(C)C(=O)Nc1ncc(SCc2ncc(C(C)(C)C)o2)s1 585833 WKTFFSVUCQARKP-UHFFFAOYSA-N 353.513 4.706 0 1 FJAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccsc1 775349 TUPDCTOKTPGWAU-LBPRGKRZSA-N 358.438 4.984 0 1 FJAF CCN(CC)c1ncnc2sc(C(=O)Nc3cccc(Cl)c3)c(C)c12 2925847 ROWKGJSRIIKPDT-UHFFFAOYSA-N 374.897 4.752 0 1 FJAF COc1ccc2[nH]cc(CCNc3ncncc3-c3ccccc3C)c2c1 4239295 LEFSKDLSUQIMBU-UHFFFAOYSA-N 358.445 4.597 0 1 FJAF [O-][n+]1onc(-c2ccccc2C(F)(F)F)c1-c1ccccc1C(F)(F)F 6567993 YWEVDSYEVBZHFJ-UHFFFAOYSA-N 374.240 4.680 0 1 FJAF O=C1O[C@@](c2ccc(O)cc2)(c2ccc(O)c3ccccc23)c2ccccc21 6583790 XHDFWUKZNPYNNE-XMMPIXPASA-N 368.388 4.713 0 1 FJAF C#CCSCC[C@]12CCC(=O)C=C1CC[C@@H]1C2=CC[C@]2(C)C(=O)CC[C@@H]12 13746608 POXPTICCDZYJNK-DHNNRRLOSA-N 368.542 4.744 0 1 FJAF COc1cc(NC(=O)c2cc3ccccc3s2)ccc1-c1cnco1 13818675 JRZRHOQGYNJOPX-UHFFFAOYSA-N 350.399 4.817 0 1 FJAF CCC[C@](C)(Oc1ccc(CC(=O)Nc2cc(C)cc(C)c2)cc1)C(=O)O 27524878 HRFAXNHMJZKXJT-QFIPXVFZSA-N 369.461 4.507 0 1 FJAF O=C(O)c1ccnc(Cc2cc(Cl)ccc2OCc2ccccc2)c1 29128456 SERUKVQYINIZMN-UHFFFAOYSA-N 353.805 4.603 0 1 FJAF CN1CCC[C@H](n2ccc3ccc(NC(=N)c4cccs4)cc32)CC1 34805724 ZDRRFCLOXPSOGC-KRWDZBQOSA-N 352.507 4.797 0 1 FJAF O[C@H](CSCCCc1ccccc1)Cn1c2c(c3ccccc31)CCC2 84709698 XZZPTESFLQSAQM-IBGZPJMESA-N 365.542 4.857 0 1 FJAF CCCCn1c2cc(OC[C@H](O)C(F)(F)F)ccc2c2ccnc(C)c21 95593535 IJQMMIJWXIXEBN-KRWDZBQOSA-N 366.383 4.600 0 1 FJAF Cn1cc(-c2ccccc2)nc1SCc1cn2c(Cl)cccc2n1 113420415 UIZYNPRLPXOJPY-UHFFFAOYSA-N 354.866 4.681 0 1 FJAF O=C(Nc1ccc(F)cc1)[C@@H]1CCCC[C@H]1NCc1c[nH]c2ccccc12 169351367 ALZKIEOFIQKKKY-TZIWHRDSSA-N 365.452 4.594 0 1 FJAF CCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1 170187942 OPTVZQBIXJWQAM-UHFFFAOYSA-N 356.582 4.878 0 1 FJAF Cc1ccc(NC(=S)Nc2sc(-c3ccccc3)cc2C(N)=O)cc1 299870912 XDCCPDRGJRIYOM-UHFFFAOYSA-N 367.499 4.631 0 1 FJAF Oc1cccc(CCCCc2nc3cccc(OC(F)(F)F)c3[nH]2)c1 586896035 GXIIHHXKKWDPDJ-UHFFFAOYSA-N 350.340 4.733 0 1 FJAF Cc1c(Br)ccc2nc(CCCCc3cccc(O)c3)[nH]c12 586896622 VNEVADCLYAKMEM-UHFFFAOYSA-N 359.267 4.905 0 1 FJAF Oc1ccccc1C1(c2nc3ccc(OCc4ccccc4)cc3[nH]2)CC1 586897219 VNCIKISCYABCPH-UHFFFAOYSA-N 356.425 4.927 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(Cl)c(Cl)nc4[nH]3)cs2)o1 587017767 YYTONROXBOUOGK-UHFFFAOYSA-N 351.218 4.957 0 1 FJAF CNc1cc(Cl)ccc1-c1nc2cc(Br)c(F)cc2[nH]1 587066501 CNVQQHAVXZHFFD-UHFFFAOYSA-N 354.610 4.827 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CC)(C(F)(F)C(F)(F)F)CC2=O 587463685 ZRTHVDQDCMREHX-AWEZNQCLSA-N 352.299 4.656 0 1 FJAF O=C1C[C@@H](c2cc3ncnc(Cl)c3s2)Oc2c1ccc1c2CCCC1 587538617 QFDRGKWASIKJNU-HNNXBMFYSA-N 370.861 4.930 0 1 FJAF C[C@@]1(c2ccccc2S)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587611944 HSQXHGBWCIYUBW-NQIIRXRSSA-N 364.422 4.558 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2ccc(F)cc2F)N1 587723731 BZWOEOLYRTVSRX-XLFHBGCDSA-N 370.212 4.664 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2cc3ccccc3[nH]2)N1 587808365 ZDANJJGMOUKITH-NSPYISDASA-N 373.269 4.867 0 1 FJAF Cc1nnc(N2CCCC2)c(-c2nc(-c3ccc(F)cc3)cs2)c1C 587923085 NHHRKGOARDGJSW-UHFFFAOYSA-N 354.454 4.623 0 1 FJAF CC(=O)OCC1=CC[C@]2(C)CC[C@@]3(C(=O)O)[C@@H](CC[C@@H]3C(C)C)[C@@H]2C=C1 653893459 REFPEOHBNLCEAQ-SBOYYNGUSA-N 360.494 4.605 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@H](C)NC(=O)OC(C)(C)C)N1 962953958 WZHHLXGLKYPSSA-SMASLZHESA-N 371.525 4.611 0 1 FJAF CC1=C(C)C[C@](C)([C@H]2N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)CC1 962975947 NMVLVTHMFYAIFL-DKSSEZFCSA-N 369.839 4.785 0 1 FJAF FCCOc1ccc(CCN2CCC(CCc3ccccc3)CC2)cc1 1857537911 MTVUAENBPBFARQ-UHFFFAOYSA-N 355.497 4.922 0 1 FJAF Cc1nc[nH]c1-c1nc2ccc(Br)cn2c1NC1CCCCC1 1857553549 METFAMDWAZUAOF-UHFFFAOYSA-N 374.286 4.540 0 1 FJAF O=c1c(-c2ccccc2)c(SCc2ccncc2)oc2cc(O)ccc12 13581384 YGXSOGQPINBRFJ-UHFFFAOYSA-N 361.422 4.853 0 1 FJAF Cc1cccnc1C1CCN(C(=O)Nc2ccc(C(F)(F)F)cc2)CC1 13612013 DOUBDNJQWXEMSU-UHFFFAOYSA-N 363.383 4.820 0 1 FJAF CC(=O)OCC1=CC[C@@H]2[C@](C)(C(=O)O)CCC[C@]2(C)[C@@H]1CCc1ccoc1 15164893 BMYLRKVXOFJPON-NPDDRXJXSA-N 374.477 4.619 0 1 FJAF biogenic O=C1C[C@H](c2ccccc2Cl)Cc2[nH]c3ccc(Cl)cc3c(=O)c21 27090488 AGELYGZESLHYFS-SNVBAGLBSA-N 358.224 4.748 0 1 FJAF COc1ccc([C@H]2CC(=O)N(c3ccccc3C)C2)cc1OC1CCCC1 34820575 SEKJSKPZFWIVQR-SFHVURJKSA-N 365.473 4.846 0 1 FJAF Cc1ccc(NC(=S)N2CCc3c([nH]c4ccccc34)C2)c(Cl)c1 40390872 OWWDLZWUAZLQEK-UHFFFAOYSA-N 355.894 4.885 0 1 FJAF c1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[nH]5)cc34)cc2)cc1 40407095 ALSCJHCBHMRCIE-UHFFFAOYSA-N 371.425 4.936 0 1 FJAF CCCc1nc2c(C)cccc2n1Cc1ccc(CCC(=O)OCC)cc1 45256399 QUBIVVJKQGLAJX-UHFFFAOYSA-N 364.489 4.841 0 1 FJAF CC[C@H](C)CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)C[C@@H]1C 45323745 MFXDDNWENRPAMQ-IRXDYDNUSA-N 371.550 4.557 0 1 FJAF O[C@H](c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12 66073799 USSLINYZUFRWLG-GOSISDBHSA-N 353.219 4.560 0 1 FJAF C=CC(=O)Oc1ccc(-c2nc3ccccc3n2Cc2ccccc2)cc1 169353302 PTTCCDWGJVHETB-UHFFFAOYSA-N 354.409 4.843 0 1 FJAF Cc1nc(COc2cccc(-c3nc4ccnc(Cl)c4[nH]3)c2)cs1 587020044 DIDYTMFPCKXDAY-UHFFFAOYSA-N 356.838 4.622 0 1 FJAF CC(C)Oc1ccc2nc(-c3cccc(-c4csc(=N)[nH]4)c3)[nH]c2c1 587021102 HZEUBRRETHLWDR-UHFFFAOYSA-N 350.447 4.553 0 1 FJAF N=C(N)c1ccc2nc(Cc3ccc(-c4ccccc4Cl)cc3)[nH]c2c1 587063634 XWBBOEGHWKPUJH-UHFFFAOYSA-N 360.848 4.758 0 1 FJAF Fc1cnc(Cl)c2[nH]c([C@H]3CCCN3Cc3ccc(Cl)cc3)nc12 587077945 ZTCXLTMMJRQXPR-CYBMUJFWSA-N 365.239 4.741 0 1 FJAF Clc1nc(-c2nc3cncc(Br)c3[nH]2)cc2ccccc12 587086210 XHRAEAWVAPGXRV-UHFFFAOYSA-N 359.614 4.589 0 1 FJAF Cc1c(Br)cc2nc(-c3ccc(Cl)nc3F)[nH]c2c1C 587177626 RBMYLSKVYMYCRM-UHFFFAOYSA-N 354.610 4.797 0 1 FJAF CCc1ccc2nc(-c3ccccc3N(C)C(=O)c3ccccc3N)[nH]c2c1 587198866 UEGCLYTUJZSADM-UHFFFAOYSA-N 370.456 4.651 0 1 FJAF CC(C)(C)OC(=O)N[C@@H](Cc1nc2cccc(Cl)c2[nH]1)C(C)(C)C 587204421 JNDJDHKIWVUOBS-ZDUSSCGKSA-N 351.878 4.698 0 1 FJAF Cc1ccc([C@]2(C)Oc3cc(O)ccc3C(=O)[C@@H]2c2ccc(F)cc2)cn1 587341404 WMGRTOMIECOZHC-UNMCSNQZSA-N 363.388 4.509 0 1 FJAF Cc1c([C@]2(C)CC(=O)c3ccc4c(c3O2)CCCC4)c[nH]c1Br 587498714 PQVFKYDIOFHZBE-IBGZPJMESA-N 374.278 4.845 0 1 FJAF CCc1ccc(-c2[nH]c3c(C(=O)O)cccc3c2C(=O)C(F)(F)F)s1 587637051 BHJXNEQIJVMXQU-UHFFFAOYSA-N 367.348 4.902 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(CCC(F)(F)F)N1 587708830 FCBIUQILZKXNRI-AMIZOPFISA-N 354.185 4.680 0 1 FJAF C[C@@H](N[C@H]1CCCN(c2ccc(C(=O)O)cc2)C1)c1cccc2ccccc12 1857537185 RIRJYJKSKJRUQM-XLIONFOSSA-N 374.484 4.858 0 1 FJAF CC(=O)O[C@@H]1C[C@H]2[C@@](C)(CC[C@@H](C)[C@@]2(C)CCc2ccoc2)[C@H](C)C1=O 2356481483 RAWJLQOZIWQUKM-ZDZDXLSDSA-N 360.494 4.812 0 1 FJAF C[C@@H]1[C@@H]2CC[C@@H]3C4=CC[C@@H]5C[C@H](N(C)C)CC[C@]5(C)[C@@H]4CC[C@]32CN1C 2356770265 FXXHLWMDAHXVCT-GYCGOJMLSA-N 356.598 4.810 0 1 FJAF CC[C@@]12C=C(C(=O)OC(C)C)n3c4c(c5ccccc53)CCN(CCC1)[C@H]42 2382230883 OFKGCLDALTYBMP-GGAORHGYSA-N 364.489 4.537 0 1 FJAF CCCC(=O)NCCc1c2n(c3ccc(OCC)cc13)Cc1ccccc1-2 13494149 WQPZDBLTIVLBKS-UHFFFAOYSA-N 362.473 4.528 0 1 FJAF CCCCN[C@@H](c1cccc(O)c1)[C@H](NCCCC)c1cccc(O)c1 27899183 NYFJJXRDCLDJDJ-SZPZYZBQSA-N 356.510 4.660 0 1 FJAF COc1ccc(/C=C/C(=O)N2CCS[C@H]2c2ccc(C)c(C)c2)cc1 40575715 FPMUAWWFVRXDEZ-AKERNLMBSA-N 353.487 4.599 0 1 FJAF Cc1ccc(CN(C)c2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)o1 64734950 BSYHACYXBVCGIL-UHFFFAOYSA-N 373.412 4.563 0 1 FJAF CC(C)Oc1ccc([C@](O)(c2cccnc2)c2ccc(Cl)cc2F)cc1 72101749 ZUWWRVWVHVVPND-NRFANRHFSA-N 371.839 4.946 0 1 FJAF CCN1[C@@H](C/C=C2/[C@H]3CCCCC3=C[C@@H]3C(=O)O[C@@H](C)[C@H]23)CCC1(C)C 101012203 JBKSSZSHKBVHIR-QQVASMKLSA-N 357.538 4.874 0 1 FJAF O=c1n(-c2ccccc2)c(O)c(-c2ccc(Cl)cc2)n1-c1ccccc1 169719327 CQOATQDCIHNDJO-UHFFFAOYSA-N 362.816 4.654 0 1 FJAF CC1=CC[C@H](C[C@@H](C)Oc2ccc(/C=C3/SC(=O)NC3=O)cc2)CC1 215055603 KCXMCDKKIBWBCH-NLGCMCFESA-N 357.475 4.914 0 1 FJAF C[C@@H](SCc1ccccc1)c1nc2[nH]c(Cl)nc(C(F)(F)F)c-2n1 586963071 JNKBKFWJHRBZDO-MRVPVSSYSA-N 372.803 4.971 0 1 FJAF CC(C)(C)OC(=O)N1CSC[C@H]1c1nc2ccc(C(C)(C)C)cc2[nH]1 587041545 XHKSJGIRDRMMRA-HNNXBMFYSA-N 361.511 4.843 0 1 FJAF Cc1c(Br)ccc2nc([C@H]3Cc4cc(Cl)ccc4O3)[nH]c12 587081430 VYDLONGFLLMLLM-CQSZACIVSA-N 363.642 4.963 0 1 FJAF Cc1ccc(Cc2nc3cncc(Br)c3[nH]2)cc1C(F)(F)F 587094561 BRASEVLNZNOFPS-UHFFFAOYSA-N 370.172 4.638 0 1 FJAF COc1ccc(-c2nc3cc(C(F)(F)F)ncc3[nH]2)c(C(F)(F)F)c1 587095318 DCKJAWQGGHNFML-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF Cc1nc2ccc(OC(F)(F)F)cc2cc1-c1nc2ccc(O)cc2[nH]1 587121847 NKWHWJNAZHABHQ-UHFFFAOYSA-N 359.307 4.691 0 1 FJAF CCCCOc1cc2nc(-c3cccc(CN)c3)[nH]c2cc1Br 587246309 PCLKSFZCCKYUPS-UHFFFAOYSA-N 374.282 4.630 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@@H]1C[C@@H]1c1c(F)cccc1Cl)[C@@H](C2)C3=O 587422306 CYBZJJPPVQNIHD-HSAVKHBNSA-N 372.823 4.798 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1c[nH]nc1-c1cccc(F)c1)CC2=O 587465462 DFFLWYBWFYBEGV-IBGZPJMESA-N 366.392 4.580 0 1 FJAF O=C1C[C@@H](c2c[nH]c3ncc(Cl)cc23)Oc2c1ccc1c2CCCC1 587498001 IDBDBHCYFMRZCU-SFHVURJKSA-N 352.821 4.802 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1c1ccc(Cl)cc1 587546616 JNMMEUKUXRZPCL-XLIONFOSSA-N 352.773 4.749 0 1 FJAF CSC(C)(C)C[C@]1(C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587608121 OQXNCYDBRIOYSE-UZLBHIALSA-N 358.459 4.644 0 1 FJAF CCOc1cc(-c2nc3ccc(-c4ccc(N)c(N)c4)cc3[nH]2)ccc1C 587778501 OGLLKBKZCXXDFY-UHFFFAOYSA-N 358.445 4.768 0 1 FJAF Oc1ccc(OCc2ccccc2)cc1-c1nc2cc(F)c(F)c(F)c2[nH]1 587782845 QVPPMIDKDCGAIO-UHFFFAOYSA-N 370.330 4.932 0 1 FJAF COc1cc(-c2nc3ccc(SC(F)(F)F)cc3[nH]2)cc(OC)c1O 587784565 ALRCNUINYGJBCK-UHFFFAOYSA-N 370.352 4.565 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cccc3[nH]ccc23)N1 587802536 MQJNOPCEVKGDSP-NSPYISDASA-N 373.269 4.867 0 1 FJAF Cc1cc(C)c([C@@]2(C)N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831461 XBRDLPOFKGNCNS-QGHHPUGFSA-N 352.247 4.596 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3c(Cl)c(Cl)cnc3[nH]2)cc1OC 587925745 HLHMJPJQJOHACJ-SECBINFHSA-N 366.248 4.628 0 1 FJAF CC[C@@H](c1ccc(OC)c(OC)c1)c1nc2c(Cl)c(Cl)cnc2[nH]1 587926068 HFJPBUIHESFPAI-JTQLQIEISA-N 366.248 4.824 0 1 FJAF COc1ccccc1[C@@]1(C)C[C@H]1c1nc2ccc(Br)cc2[nH]1 587928751 BYWXBWBJTQNAJT-SCLBCKFNSA-N 357.251 4.779 0 1 FJAF COc1ccc2c(c1)CCC=C2Cc1nc2cc(OC)c(Cl)cc2[nH]1 587936004 YQMJUAXEVNYFAO-UHFFFAOYSA-N 354.837 4.806 0 1 FJAF COC(=O)c1cc2nc(/C=C\c3ccccc3Oc3ccccc3)[nH]c2cn1 587949185 ADQDXFIFRKZNNC-QXMHVHEDSA-N 371.396 4.707 0 1 FJAF Cc1c(Br)cnc2[nH]c(C=C3C4CC5CC(C4)CC3C5)nc12 587964580 DIHDWINTWUFXJW-UHFFFAOYSA-N 358.283 4.868 0 1 FJAF Cc1ccc(-c2cn(CC3=C(Cl)c4cccc(C)c4OCC3)nn2)cc1 653764380 VCLOZCDLBWVCCZ-UHFFFAOYSA-N 365.864 4.995 0 1 FJAF O=C(c1ccc([C@H]2c3c(F)cccc3C[C@H]3CCCN23)cc1)C(F)(F)F 963117730 XPWJJLHKZGZTDI-QAPCUYQASA-N 363.354 4.681 0 1 FJAF Cc1cccc(C)c1-c1cc(C)c2nc(NC(=O)c3ccccc3)nnc2c1 37858311 NADVFIARZIHNDM-UHFFFAOYSA-N 368.440 4.869 0 1 FJAF C[C@@]1(c2ccccc2)CCN(Cc2ccc(Br)cc2)C(=O)O1 72142453 ILGOGSGLIHTTBQ-SFHVURJKSA-N 360.251 4.707 0 1 FJAF CC1=C(C(=O)O)[C@H](CCCCCCCCCCCCC[C@@H](C)O)OC1=O 85945697 RJNPNSFGRBJXHX-AEFFLSMTSA-N 368.514 4.765 0 1 FJAF biogenic Cc1ccc(CNc2nc(-c3ccccn3)nnc2-c2ccccc2)cc1 95568255 XXSFXQLMBCXBAH-UHFFFAOYSA-N 353.429 4.521 0 1 FJAF COc1cccc(N(C)C(=O)c2ccc(-c3cccc(OC)c3F)s2)c1 95585564 XXGYSORRVIEKQF-UHFFFAOYSA-N 371.433 4.848 0 1 FJAF COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cc2)cc(-c2nccs2)c1 113761156 IQVXTALUQDHYGP-OAHLLOKOSA-N 366.486 4.550 0 1 FJAF Cc1ccccc1OC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)C[C@@H]2CC[C@H]1N2C 169316252 LNDIIWNPPXKDSX-QEUVDIPISA-N 369.892 4.820 0 1 FJAF CCC[C@](C)(O)CC[C@@H]1[C@H]2Cc3ccc(O)cc3[C@@]1(C)CCN2CC1CC1 169329725 PBZZRPNYRANTNS-AZOUXBGGSA-N 371.565 4.638 0 1 FJAF Cc1cc(C)c(Nc2nc(N)nc(Nc3c(C)cc(C)cc3C)n2)c(C)c1 222307518 CWSCJPINWGDASK-UHFFFAOYSA-N 362.481 4.792 0 1 FJAF COC(=O)C1=C(c2c[nH]c3ccc(O)cc23)C(c2c[nH]c3ccccc23)=CC1 238767334 RUNBERDHIUKTEM-UHFFFAOYSA-N 370.408 4.769 0 1 FJAF CC(=O)N[C@H](CSCc1ccccc1)c1nc2ccc(Cl)c(C)c2[nH]1 586972294 GRJWANHWASZKAK-QGZVFWFLSA-N 373.909 4.635 0 1 FJAF COc1cc2nc(-c3cc(Br)ccc3Cl)[nH]c2cc1F 586980630 ZBRXHCNXDUYFKN-UHFFFAOYSA-N 355.594 4.794 0 1 FJAF CCc1ccc(-c2nc(-c3nc4cc(F)cc(C(=O)O)c4[nH]3)cs2)cc1 587015988 MMEMJNDKCNUTSE-UHFFFAOYSA-N 367.405 4.753 0 1 FJAF COc1cc2[nH]c(-c3c(-n4cccc4)sc4c3CCC4)nc2cc1F 587033027 PGDMIQPKXHOZPX-UHFFFAOYSA-N 353.422 4.719 0 1 FJAF O=C(O)c1cc(F)cc2nc(-c3cc(-n4cccc4)ccc3Cl)[nH]c12 587050395 NALZGIZAIHYNKT-UHFFFAOYSA-N 355.756 4.511 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(Cl)cc2[nH]1 587115879 CXBFRWWVOMSXTA-UHFFFAOYSA-N 369.561 4.942 0 1 FJAF COc1cncc2nc(/C(=C\c3ccc(F)cc3)c3cccs3)[nH]c12 587164488 SDPFMTYFEUUKAY-ZROIWOOFSA-N 351.406 4.756 0 1 FJAF Cc1cc([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(F)cc1F 587720936 UHMCUUFSMUMBRA-VVVCHXIZSA-N 370.212 4.798 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2coc3ccccc23)N1 587831045 VMOUWOGRPARKRZ-YPMLDQLKSA-N 360.226 4.958 0 1 FJAF Cc1ccc2c3c1N(CC31CC1)[C@]2(C)C[C@H]1CCCN1C(=O)OC(C)(C)C 963733701 YBARJIOGEZXHNQ-OPAMFIHVSA-N 368.521 4.865 0 1 FJAF CCc1ccccc1-c1cccc2cc(CNC[C@@H](C)C(=O)O)sc12 1772625833 XMYKJYXHQVRWEV-CQSZACIVSA-N 353.487 4.941 0 1 FJAF CCCC[C@]1(O)C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cc3)cc21 1857585795 FEDBORYRCVXYQN-GOSISDBHSA-N 364.367 4.779 0 1 FJAF CC(C)=CCc1ccc([C@H]2C(=O)OC(=Cc3ccc(O)cc3)[C@H]2C)cc1O 2356394886 INWBNVWKWLOEKI-QRQCRPRQSA-N 364.441 4.924 0 1 FJAF CCC[C@H]1[C@@H](N(C)Cc2ccccc2)CC[C@@]23CCCN2C(=O)CCC[C@@H]13 205713855 PPNMBWHLIDTXJS-HOUBMWHVSA-N 368.565 4.858 0 3 FJAF CCCc1cc2c(C(F)(F)F)noc2c(CCC)c1O[C@@H](C)C(=O)O 12358568 FQVCFJZTNNIPMH-VIFPVBQESA-N 359.344 4.604 0 1 FJAF CCCCC[C@H](O)CCC[C@@H](Cc1ccc(CCC(=O)O)cc1)C(C)=O 27096348 CIULJYUYIVWYLS-SFTDATJTSA-N 362.510 4.563 0 1 FJAF CCCCCOc1c(OC)cc(N[C@H](C)CCCN)c2nccc(C)c12 28218960 STXFMTGHJSFTHU-MRXNPFEDSA-N 359.514 4.660 0 1 FJAF CC(=O)N1Cc2ccc(NCc3ccccc3)cc2CCc2ccccc21 28572349 DHTPYUCMUWDBRL-UHFFFAOYSA-N 356.469 4.950 0 1 FJAF CCCCc1ccc(NC(=O)c2cccnc2NCc2ccncc2)cc1 28957102 NGMFUXHADICHSR-UHFFFAOYSA-N 360.461 4.684 0 1 FJAF COc1ccc(-c2nc3n(c2-c2ccc(OC)c(F)c2)CCS3)cc1F 34079702 XELGUFWPQZCVHB-UHFFFAOYSA-N 374.412 4.618 0 1 FJAF O=C(CCCCN1CCCCCC1)Nc1ccc(-c2cccnc2)cc1 45318164 XJAALKCPIRFEIJ-UHFFFAOYSA-N 351.494 4.733 0 1 FJAF CC(=O)c1c(Nc2ccc(F)cc2F)nc2c(Cl)ccc(F)c2c1O 84604708 ALDOLXCPNDPNSI-UHFFFAOYSA-N 366.726 4.957 0 1 FJAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H]2C[C@](C)(CO2)[C@@H]1C/C=C/CCCC(=O)O 101162572 VEKDZUVNPMZDCF-QUTTTYRGSA-N 364.526 4.726 0 1 FJAF Nc1nnc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccccc3)nc12 103289665 YSJQKLQYGKDSLO-UHFFFAOYSA-N 363.424 4.732 0 1 FJAF C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(C)(C)c1ccc(F)cc1 142436889 RVUMKKBNJWVXNL-LLVKDONJSA-N 370.251 4.951 0 1 FJAF CC1(C)CC(=O)[C@H]2C(=Nc3nc4c(c(N)c3[C@H]2c2ccccc2)CCCC4)C1 169720976 GIDORMMWJGKQJZ-VQTJNVASSA-N 373.500 4.766 0 1 FJAF CCC(=O)N[C@@H]1c2cncc(-c3ccc(C(F)(F)F)cc3)c2CC[C@H]1C 205713366 XWASZJSYLNOOBU-BLVKFPJESA-N 362.395 4.917 0 1 FJAF CCc1ccc(-c2nc3c(C(=O)O)cc(Br)cc3[nH]2)cc1CC 586880812 SMWJNDAMABIAJR-UHFFFAOYSA-N 373.250 4.815 0 1 FJAF COc1cc2nc(-c3ccoc3COc3ccc(C=O)cc3)[nH]c2cc1C 586900051 AIYIDWXIHVNLNG-UHFFFAOYSA-N 362.385 4.531 0 1 FJAF COc1cc2nc(-c3cc(C(F)(F)F)ccc3C(F)(F)F)[nH]c2cn1 587094767 GLLQFMVTYSPJIL-UHFFFAOYSA-N 361.245 4.671 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(F)c(Br)c2[nH]1 587151623 TUHZDLWDXMKBDX-ZETCQYMHSA-N 371.156 4.883 0 1 FJAF N[C@]1(c2nc3cccc(OCc4ccccc4)c3[nH]2)C[C@@H]1c1ccccc1F 587155210 INEHNXIKXDAGQJ-UZUQRXQVSA-N 373.431 4.623 0 1 FJAF Nc1cc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c2cc1N 587163441 IUQGMKBRLOHDCH-MDWZMJQESA-N 350.422 4.517 0 1 FJAF Fc1ccc2c(c1)C[C@H](c1nc3ccc(OCc4ccccc4)cc3[nH]1)O2 587173931 KZVDOLWDAJVPCB-OAQYLSRUSA-N 360.388 4.957 0 1 FJAF COc1cc2c3c(c1)O[C@@](CC1CC1)(c1ccc(Cl)cc1)[C@@H](C2)C3=O 587419408 DVZMRJCSNRXWHP-UWJYYQICSA-N 354.833 4.792 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1F)(C1CCCC1)[C@@H](C2)C3=O 587425778 HFWRJOXEXSDLLN-HTAPYJJXSA-N 352.405 4.667 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCc3c(Cl)cc(F)cc31)CC2=O 587472807 VIYYXQIEXAPEBV-FQEVSTJZSA-N 360.812 4.944 0 1 FJAF O=c1c2cc(F)c(F)cc2c(-c2ccccc2)nn1-c1ccc(Cl)cc1 587655430 HCKLCHNZWTVJPC-UHFFFAOYSA-N 368.770 4.984 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ncccc3c2)N1 587778653 NVXMCEBEORRRJG-JEOXALJRSA-N 371.253 4.760 0 1 FJAF CSc1ccc([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)s1 587849821 WBYIRHAZNLHMQT-VXJOIVPMSA-N 372.328 4.995 0 1 FJAF O=C(Cc1cccc(C(F)(F)F)c1)n1nc2cc1Oc1ccc(F)cc1-2 587873859 KPRIDWUWNPTVTQ-UHFFFAOYSA-N 362.282 4.697 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(C)cc(C(F)(F)F)c1 963258604 PGEXWWHTJWKEIQ-KRWDZBQOSA-N 355.787 4.911 0 1 FJAF Cc1cc([C@@]2(C)c3cccc(Br)c3CCN2C)cc(C)c1O 963289881 RAVYKYGWBFEEMB-IBGZPJMESA-N 360.295 4.523 0 1 FJAF Cc1cc(=O)oc2cc(OCc3cc(-c4ccc(F)c(F)c4)no3)ccc12 1772622554 IQYUBYTVZUENIG-UHFFFAOYSA-N 369.323 4.614 0 1 FJAF CC(=O)c1ccccc1-n1c(-c2ccccc2)nc2cc(Cl)ccc2c1=O 1772638539 SRKOWDMHWXRYFA-UHFFFAOYSA-N 374.827 4.909 0 1 FJAF C[C@@]12CCC[C@H]3C[C@@]([C@@H]4CCC[C@H](Cc5ccc(O)cc5)C4)(C[C@H](N)[C@H]31)O2 2356499363 BZCXVPHXXDEZKB-XSRFOROSSA-N 369.549 4.806 0 1 FJAF CCCNC[C@H](O)COc1cccc2c1c1ccccc1n2CC=C(C)C 2382253322 GCTSJKHVWHKRRS-SFHVURJKSA-N 366.505 4.500 0 1 FJAF CCCC1(CCC)CCC2(CCN(CCCN3CCOCC3)C2)CC1 26753106 DUBUZWPTDBFHGL-UHFFFAOYSA-N 350.591 4.561 0 1 FJAF CCCN1CCN(C2=Nc3cc(F)ccc3Nc3sc(CC)cc32)CC1 27989828 MNOLWXHIEKNQRZ-UHFFFAOYSA-N 372.513 4.613 0 1 FJAF O=C(O)C[C@]1(CC2CC2)OCCc2c1[nH]c1c(Cl)ccc(Cl)c21 49051757 MSRQXMJCXMMJIJ-KRWDZBQOSA-N 354.233 4.518 0 1 FJAF CNC(=O)NC(=O)[C@@H](CCC1CCCC1)c1ccc(Cl)c(Cl)c1 49113348 NEJAPCJLWIXAKZ-ZDUSSCGKSA-N 357.281 4.503 0 1 FJAF Cc1ccc(Nc2c(-c3ccc(F)cc3)nc3n2CCNC3(C)C)cc1 84687500 OTOXHKRAMBEODV-UHFFFAOYSA-N 350.441 4.580 0 1 FJAF C=C1N=CC(C(=C)N[C@H](C)C(C)(C)C)=C1N/C(=C\C)Oc1ccccc1 100734974 KSUNVAMZAXQXNC-UZHQLRPZSA-N 351.494 4.906 0 1 FJAF COC(=O)[C@@H]1[C@H]2C[C@@H]3CC[C@H]1N3C/C2=C\c1ccc(-c2ccsc2)s1 101028669 CBNNPWOODQAMIN-DXHUQEBLSA-N 371.527 4.516 0 1 FJAF O=C(c1ccccc1)c1ccc2nc(C3(c4ccccc4O)CC3)[nH]c2c1 586897214 VAXCHCLEJODETL-UHFFFAOYSA-N 354.409 4.579 0 1 FJAF COC(=O)c1ccc2[nH]c(-c3ccc(-c4ccc(C)o4)cc3)nc2c1OC 586903291 NUSSRQLKRLLHAV-UHFFFAOYSA-N 362.385 4.594 0 1 FJAF C[C@@H](Sc1ncccn1)c1nc2cc(Cl)cc(Br)c2[nH]1 586962160 OUYFFQIRHACQEE-SSDOTTSWSA-N 369.675 4.622 0 1 FJAF Brc1nccc2[nH]c(-c3ccc(-c4nccs4)s3)nc12 587023541 LHKBUEIYJSFVCO-UHFFFAOYSA-N 363.265 4.572 0 1 FJAF COc1ccc(-c2ccc(-c3nc4cc(F)cnc4[nH]3)c(F)c2)c(F)c1 587152112 KIPXVFHUHRLIQB-UHFFFAOYSA-N 355.319 4.718 0 1 FJAF COc1cc(-c2nc3cc4ccccc4cc3[nH]2)nn1-c1ccccc1F 587155244 CAUNSPOFSIYBLG-UHFFFAOYSA-N 358.376 4.717 0 1 FJAF Cc1c(Br)ccc2nc(Cc3c[nH]c4ccc(F)cc34)[nH]c12 587175130 QKHHYVIRNWESME-UHFFFAOYSA-N 358.214 4.845 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1ccc([C@H](C)OC)cc1)CC2=O 587479578 ISFVGRXXPKZJTH-RCDICMHDSA-N 354.446 4.933 0 1 FJAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccccc1)C(F)F 587558890 XYADKLSGJCRDLQ-UTKZUKDTSA-N 368.335 4.514 0 1 FJAF Cc1ccc(C(=O)n2nc(-c3ccc(F)cc3)c3ccccc3c2=O)cc1C 587660747 SNAJOWGMABJNSW-UHFFFAOYSA-N 372.399 4.508 0 1 FJAF CSc1ccc(-c2csc(-c3cn(C4CCCC4)[nH]c3=N)n2)cc1 587925156 PFIYOYIVRHPWFH-UHFFFAOYSA-N 356.520 4.923 0 1 FJAF CC[N+](CC)=c1sc2c(s1)[C@@H](c1ccccc1)Oc1ccccc1-2 653861068 NEUBHDUDRGPTFB-QGZVFWFLSA-N 354.520 4.770 0 1 FJAF Cc1cc(-c2nc(-c3ccc(Cl)c(C)c3)n3c2CCOCC3)cc(C)n1 1772609904 HSIUAICHEMABOE-UHFFFAOYSA-N 367.880 4.763 0 1 FJAF COc1ccc(F)cc1-c1cccc([C@@H](CC(=O)O)c2nccs2)c1 1772631386 UCZKIGZHONQJPI-MRXNPFEDSA-N 357.406 4.564 0 1 FJAF Cc1ccc(C)c2oc(-c3nc(-c4ccc(C(=O)O)c(F)c4)no3)cc12 1857550573 WGPGONBALWALNL-UHFFFAOYSA-N 352.321 4.604 0 1 FJAF O=C1CCC2(Oc3cccc4cccc(c34)O2)c2ccc(Cl)c(O)c21 1857645356 RTMDACDGYGBZCM-UHFFFAOYSA-N 352.773 4.800 0 1 FJAF CC1=C(Oc2ccccc2)[C@@H](CCC(=O)O)c2c(O)cc(Cl)c(O)c21 1616132 KKRONXYHJSQOBI-LBPRGKRZSA-N 360.793 4.523 0 1 FJAF Clc1ccccc1/C=c1\nc(-c2ccccc2)n2c1nc1ccccc12 5597111 XTWIHKHAKBGJQC-RGEXLXHISA-N 355.828 4.751 0 1 FJAF Nc1nc(N)c2c(Sc3ccc(C4CCCCC4)cc3)cccc2n1 5974271 SSOHVGQVOVPALY-UHFFFAOYSA-N 350.491 4.993 0 1 FJAF Cc1nc2c(s1)-c1nc(Nc3ccc(C(F)(F)F)cc3)ncc1CC2 6744723 BFOWMTATJFCJBB-UHFFFAOYSA-N 362.380 4.770 0 1 FJAF Cc1cc2c3c(n1)c(-c1ccc(Cl)cc1Cl)nn3CCN2C(C)C 13672720 SJBYQJVXZNZXTO-UHFFFAOYSA-N 361.276 4.942 0 1 FJAF Clc1cc(Cl)cc(N2CCN(C[C@H]3C[C@@H]3c3ccccc3)CC2)c1 13814435 RDWDMKXDVMARBF-OXQOHEQNSA-N 361.316 4.919 0 1 FJAF O=C(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)[C@@H]1Cc2ccccc2N1 58506620 DHTULIWUCGHTSR-AWEZNQCLSA-N 374.284 4.700 0 1 FJAF CCc1nnc(-c2ccc(-c3ccccc3)cc2)n1-c1cccc(CO)c1C 96283512 QOWBYARCGMTVPY-UHFFFAOYSA-N 369.468 4.964 0 1 FJAF C/C=C(\C)C(=O)Nc1cc2cc(O)c3nccc4c3c2n1-c1ccccc1-4 96910856 KNQDHHRMPVESSY-KGVSQERTSA-N 355.397 4.769 0 1 FJAF Clc1ccc2c(NCCCCNc3nccc(Cl)n3)ccnc2c1 103260165 WCBACODCQZSUOF-UHFFFAOYSA-N 362.264 4.636 0 1 FJAF C[C@]12C=C[C@@]3(CC[C@@H]4[C@@](C)(COC(=O)C(=O)O)CCC[C@@]4(C)[C@@H]3CC1)C2 141715535 CMARQECGDGAALM-SYPWZQQWSA-N 360.494 4.583 0 1 FJAF CC(C)(C)c1ccc(-c2ccc([C@]3(O)CN4CCCC[C@H]4CO3)cc2)cc1 473112309 CMJYCIHZKRQNTI-UPVQGACJSA-N 365.517 4.681 0 1 FJAF N=c1[nH]ccc2[nH]c(-c3ccc(Oc4ccc(C(F)(F)F)cc4)cc3)nc12 587112973 QMNKSQUSINPMCF-UHFFFAOYSA-N 370.334 4.849 0 1 FJAF Cc1cccc2nc(-c3cc(Cl)cc(I)c3)[nH]c12 587182644 MBOJNARJENBGNU-UHFFFAOYSA-N 368.605 4.796 0 1 FJAF CC1(C)[C@@H]2C[C@H]1[C@@](C)(O)c1nc3cccc4c3c(c12)-c1ccccc1C4=O 587207264 PIOXWPPZHFIXKY-PNIPZHNDSA-N 355.437 4.797 0 1 FJAF Cc1c[nH]c(C)c1[C@@]1(C)Oc2cc(O)ccc2C(=O)[C@H]1c1ccc(F)cc1 587346911 NZSLEECZXKENKS-IFMALSPDSA-N 365.404 4.751 0 1 FJAF CC[C@H](C)c1ccc2[nH]c(C)c(CCOc3ccccc3C(N)=O)c2c1 587640934 CRCIWHFPTQQSEZ-AWEZNQCLSA-N 350.462 4.710 0 1 FJAF CCOc1ccccc1-c1cccc(-c2nc3cc4nc(O)[nH]c4cc3[nH]2)c1 587780212 OGLNOLHVDYLOMK-UHFFFAOYSA-N 370.412 4.878 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cccc3occc23)N1 587826995 HTPYGDHJMXNONW-MLCYQJTMSA-N 360.226 4.958 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1Cc1ccc(F)cc1F 587860869 HLLLMPDXYXLEFX-UHFFFAOYSA-N 368.305 4.904 0 1 FJAF COc1cc(C2(c3nc4cccc(OC(F)(F)F)c4[nH]3)CC2)ccc1C 587926972 LYMJOJVAUANFCA-UHFFFAOYSA-N 362.351 4.858 0 1 FJAF CCCC/C=C\c1nc2cc(C(=O)OCC)cc(Br)c2[nH]1 587965825 PRBQVVCXEUMTGU-FPLPWBNLSA-N 351.244 4.706 0 1 FJAF Cc1cccc(C)c1OC[C@@H](C)NCc1ccc2c(c1)C(C)(C)NC2(C)C 653766943 KZCYQHSGTVIMFD-GOSISDBHSA-N 366.549 4.934 0 1 FJAF C[C@H]1CC[C@@H](C)C[C@@H](C)C(=O)N(C)C=CCC(=O)O[C@H](C(C)(C)C)C1 2356496644 MUPORQMYFNQMDE-XDNAFOTISA-N 351.531 4.789 0 1 FJAF O=C(C[C@H](C(=O)c1ccsc1)c1ccc2c(c1)OCO2)c1ccccc1 6578561 VSCXIPVGAHJNJA-KRWDZBQOSA-N 364.422 4.716 0 1 FJAF Oc1cccc2c1CCC[C@@H]2CCCN1CCN(C2CCCCC2)CC1 22931138 UDBYCFZOJXFYCB-LJQANCHMSA-N 356.554 4.543 0 1 FJAF Cc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)cnn1-c1cccc(F)c1 26667573 QSWBHUPCVXVMTC-UHFFFAOYSA-N 363.314 4.591 0 1 FJAF CC(C)(C)OC(=O)c1ccc(NC2CCN(Cc3ccccc3)CC2)cc1 27525597 BJSXWRMBFMAVJT-UHFFFAOYSA-N 366.505 4.718 0 1 FJAF Cc1cc(Nc2ccc(Br)cc2)c2c(ccc3[nH]cnc32)n1 39214822 WKBIFGUENYFDDO-UHFFFAOYSA-N 353.223 4.926 0 1 FJAF CCOC(=O)c1ncc2c(c1CC)-c1cc(OCc3ccccc3)ccc1C2 40379668 PPZSKXZNXDAMEB-UHFFFAOYSA-N 373.452 4.971 0 1 FJAF COc1ccc2c(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)csc2c1 40847662 IJPHSSTZZYSTEG-NSIKDUERSA-N 355.440 4.944 0 1 FJAF COc1cc(OC)c2ccn(CCC[C@H]3CCC[C@]4(CCCCO4)O3)c2c1 40953357 OKTDCOOPWZVWAN-VGSWGCGISA-N 373.493 4.905 0 1 FJAF c1ccc(CCN2CCN3C[C@@H](c4ccccc4)c4ccccc4[C@H]3C2)cc1 58538482 ZTNUFLBDJULOLU-IZZNHLLZSA-N 368.524 4.734 0 1 FJAF C[C@@H](Oc1cc(-c2cnoc2)cnc1N)c1c(Cl)ccc(F)c1Cl 72184039 UCMZYCZLKJBNGS-MRVPVSSYSA-N 368.195 4.905 0 1 FJAF CCCCCn1c(CCC)nc2c(NCc3ccccc3C)ncnc21 82180478 SQMPLBFWUKIPSA-UHFFFAOYSA-N 351.498 4.890 0 1 FJAF CC(C)Oc1ccc(-c2cc(=O)c3c(O)cc(OC(C)C)cc3o2)cc1 103208076 MNLRCTDHXYRFLN-UHFFFAOYSA-N 354.402 4.740 0 1 FJAF COc1ccc2c(c1)C(=O)c1ccc(Nc3ccc(F)cc3F)cc1OC2 103273341 HFGQOQZHEMKGAH-UHFFFAOYSA-N 367.351 4.840 0 1 FJAF Cc1cc(N2CC[C@@H](N3CCC[C@H]3C)C2)ccc1NC(=O)CC1CCCC1 113332312 DKVILNAQMBVZGF-WIYYLYMNSA-N 369.553 4.577 0 1 FJAF Cc1ccc(C)c2[nH]c(/C=C/c3cc4c(cc3Br)OCO4)nc12 586998113 GULHIPYJICGESZ-AATRIKPKSA-N 371.234 4.841 0 1 FJAF OCc1ccc2nc(-c3ccc(C(F)(F)F)cc3C(F)(F)F)[nH]c2c1 587095420 YEVIULNEZSJIBC-UHFFFAOYSA-N 360.257 4.760 0 1 FJAF CN1CCC[C@H]1[C@H]1CCCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587103748 AHURWBDGJYFXCK-UTKZUKDTSA-N 368.480 4.960 0 1 FJAF Fc1ccc(/C=C/c2nc3cc(F)cc(Br)c3[nH]2)c(F)c1 587148713 KHNBKUCATFZKDM-DUXPYHPUSA-N 353.141 4.913 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1cccc(Br)c1C)O2 587377709 OZJIAUGLDJWCSP-CQSZACIVSA-N 374.278 4.615 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccn(-c4c(C)cc(C)cc4C)c1)[C@@H](C2)C3=O 587431206 MXYABGMEBFOHEY-YADARESESA-N 373.452 4.900 0 1 FJAF CC[C@@]1(c2ccc(OCC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444246 YOJZIZPTVSAPHB-XXBNENTESA-N 366.457 4.783 0 1 FJAF CC[C@]1(Cc2ccccc2)N[C@H](C)Cc2cc(Br)c(F)cc21 587814604 UWVRNKLCVHOCMV-BFUOFWGJSA-N 362.286 4.970 0 1 FJAF Cc1ccc2c(c1)[C@]1(N[C@H](C)Cc3cc(Br)c(F)cc31)[C@@H](C)C2 587824814 YVVRQDTUQCUWAC-MRRFBWAASA-N 374.297 4.867 0 1 FJAF O=C(c1cc2ncccc2[nH]1)N1CCC(c2ccccc2C(F)(F)F)CC1 1857563103 DYEQISQTKRFFHD-UHFFFAOYSA-N 373.378 4.602 0 1 FJAF CN1C[C@H]2CC[C@@H]3[C@]4(C)CC=C5C[C@@H](N(C)C)CC[C@]5(C)[C@H]4CC[C@]23C1 2356379153 JTQMMTMDFJMALN-JINOFHLOSA-N 356.598 4.811 0 1 FJAF CC=C(C)C(=O)O[C@@H]1CC[C@H](C)[C@]2(C)[C@H](OC(C)=O)c3c(C)coc3C[C@@H]12 2356497248 HLYBLRRKNWNJDY-FFZWOUPFSA-N 374.477 4.679 0 1 FJAF CC1=C[C@H](CNC2CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 2356657491 IMJHNKFEPDPMLF-ZVDOUQERSA-N 365.521 4.886 0 1 FJAF COc1cccc([C@H](NC(C)=O)c2nc(-c3ccc(C)c(C)c3)cs2)c1 61907254 WHEBQVJBLQTJTM-FQEVSTJZSA-N 366.486 4.661 0 3 FJAF O=C(NCc1ccc(F)c(F)c1)c1cccc2c(-c3cccnc3)coc12 61928239 YHFHAPDUFFXHSI-UHFFFAOYSA-N 364.351 4.703 0 3 FJAF O=C1C[C@H](O)C[C@H](CCc2c(Cl)cc(Cl)cc2-c2ccccc2)O1 29482236 RBPAHNRDPAJTEZ-CABCVRRESA-N 365.256 4.660 0 1 FJAF CCOc1nc(/C=C/c2ccccc2)oc1C(=O)Oc1cncc(Cl)c1 40430290 QCUVCXVXWWGNTC-CMDGGOBGSA-N 370.792 4.511 0 1 FJAF COc1ccc2cc(/C=C3\OC(=O)c4c3cc(C)[nH]c4=S)sc2c1 40846664 KBVBLODZJXQCAO-ZSOIEALJSA-N 355.440 4.944 0 1 FJAF COc1ccccc1-c1noc(C)c1C(=O)N(C)c1ccc(Cl)cc1 45387415 YUVNOGGVGVLLBT-UHFFFAOYSA-N 356.809 4.589 0 1 FJAF O=C(CCc1ccc(F)cc1)c1ccccc1OC[C@@H](O)CC1CCCC1 73159643 DIHTUIFXCRKUAT-FQEVSTJZSA-N 370.464 4.961 0 1 FJAF S=c1[nH]nc(-c2ccnc(NCC3CC3)c2)n1-c1ccc2ccccc2c1 101419919 KDXIUKJSJIVWEJ-UHFFFAOYSA-N 373.485 4.967 0 1 FJAF CCOP(=O)(OCC)[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 103212576 XGIKTCJMOJQNTJ-APHAIJBRSA-N 373.389 4.781 0 1 FJAF Cc1cccc([C@@H](CCCO)C(=O)Nc2ccc(-c3ccnc(C)c3)cc2)c1 103273532 WZYVRCUXUXNBQK-HSZRJFAPSA-N 374.484 4.860 0 1 FJAF O[C@@]1(C(F)(F)F)c2ccccc2-c2c(Br)cc(Cl)cc21 144779724 XZVACZCRLQDXPC-ZDUSSCGKSA-N 363.560 4.881 0 1 FJAF CCNCc1ccc(-c2c(OC)ccc3[nH]c(=O)c4sccc4c23)cc1 149320503 PZEQOFCNWJMLFQ-UHFFFAOYSA-N 364.470 4.528 0 1 FJAF O=C(Nc1ccc2c(c1)CCC2)c1ccccc1NC(=O)C1CCCCC1 224942179 YTCMGDQCZVSTII-UHFFFAOYSA-N 362.473 4.946 0 1 FJAF Cc1ccc(CSCCc2nc3ccc(Br)nc3[nH]2)cc1 586970007 FZCCHRGCKOSNSQ-UHFFFAOYSA-N 362.296 4.505 0 1 FJAF CCc1ccc2nc(-c3csc(=Nc4cccc5ncccc45)[nH]3)[nH]c2c1 587018064 SARQNYVXEIZMAV-UHFFFAOYSA-N 371.469 4.963 0 1 FJAF FC(F)(F)[C@](F)(Cl)c1nc2cc(Cl)cc(Br)c2[nH]1 587090772 XKTHPDUHNLJPSD-QMMMGPOBSA-N 365.939 4.902 0 1 FJAF CCOC(=O)CCc1c(C)nc2c(C)ccc3c2c1-c1ccccc1C3=O 587098181 PWONFCFKLASUEO-UHFFFAOYSA-N 359.425 4.559 0 1 FJAF Cc1ccc2c3c(c4c(nc13)CC(=O)C[C@@H]4C1CC1)-c1ccccc1C2=O 587100301 FYMGEOIRRLSZJA-GOSISDBHSA-N 353.421 4.764 0 1 FJAF CCCCOC(=O)[C@@H]1CCc2c1nc1cccc3c1c2-c1ccccc1C3=O 587106070 HWUOPZWHTSERHX-GOSISDBHSA-N 371.436 4.819 0 1 FJAF Fc1cc(Br)c(Cl)cc1-c1nc2cncc(Cl)c2[nH]1 587137073 RMZVLOIUAXSBDW-UHFFFAOYSA-N 361.001 4.833 0 1 FJAF Fc1ccc(-n2cnc3ccccc32)c(-c2nc3cc(F)c(F)cc3[nH]2)c1 587159872 WPUIYYKBORLQPQ-UHFFFAOYSA-N 364.330 4.986 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c[nH]c3ccc(Br)cc13)O2 587373406 VAOWDBRBIQMFJB-KRWDZBQOSA-N 371.234 4.528 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587441508 HGEODPCQWXMFMZ-WMZHIEFXSA-N 358.393 4.976 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cn(CCC)nc1C1CC1)CC2=O 587475046 KPVGJPRYMVTVSC-IBGZPJMESA-N 354.450 4.535 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](Cc1ccccc1)(c1ccncc1)CC2=O 587488786 JWGNOFDNJSMYME-XMMPIXPASA-N 373.452 4.843 0 1 FJAF COc1cccc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c1OC(F)F 587501591 CIZMLDVUQPJGAI-GOSISDBHSA-N 374.383 4.882 0 1 FJAF C[C@]1(CCc2n[nH]c3ccccc23)CC(=O)c2ccc3c(c2O1)CCCC3 587522371 FNVWCCFSAGZBNW-QHCPKHFHSA-N 360.457 4.798 0 1 FJAF CCCC[C@H](C(=O)OCC)[C@]1(C)CC(=O)c2ccc3c(c2O1)CCCC3 587525631 QOAKWHKGCQIMRG-GCJKJVERSA-N 358.478 4.659 0 1 FJAF O=C1C[C@@]2(Oc3c1ccc1c3CCCC1)C(=O)c1cccc3cccc2c13 587530867 WEIZABTTYMJBLV-DEOSSOPVSA-N 354.405 4.776 0 1 FJAF CC[C@@H](C)c1ccc2[nH]c(C)c([C@@](O)(c3nccn3C)C(F)(F)F)c2c1 587642968 XYLDUTVSTJAARU-ADLMAVQZSA-N 365.399 4.522 0 1 FJAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C)(c2ccc3[nH]ccc3c2)N1 587803442 PXIRXMQYQXWUDE-WYRIXSBYSA-N 373.269 4.867 0 1 FJAF COc1ccccc1[C@]1(C)C[C@@H]1c1nc2cccc(OC(F)(F)F)c2[nH]1 587929779 KVCYFGHLBNJOGR-XIKOKIGWSA-N 362.351 4.915 0 1 FJAF N[C@H](N=O)c1ccc2nc(Cc3ccccc3Oc3ccccc3)[nH]c2c1 587950556 RVGKXZANEJRTCQ-OAQYLSRUSA-N 358.401 4.670 0 1 FJAF Cc1cc(C)cc([C@]2(c3ccc(C)nc3)NCCc3ccc(F)c(C)c32)c1 962300871 REUOOTSPBOKYBT-DEOSSOPVSA-N 360.476 4.892 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@H]3c1cc2ccc(Cl)cc2[nH]1 963072921 ZWLZZJTUHFGFLP-NRFANRHFSA-N 363.848 4.613 0 1 FJAF COc1ccc2nc(-c3nc4cc(Br)ccc4[nH]3)ccc2c1 1772590612 OWWUXRISJPVVNC-UHFFFAOYSA-N 354.207 4.549 0 1 FJAF COC(=O)c1ccc2nc(-c3ccc(C)cc3)c(Cc3ccccc3)n2c1 199365501 HSUIYYWIWVEKMN-UHFFFAOYSA-N 356.425 4.687 0 3 FJAF C[C@@H]1CCCCN1Cc1ccc(C2=Cc3ccccc3C3=NCCN23)cc1 13740218 NEQQHVXXMSTVNA-GOSISDBHSA-N 357.501 4.635 0 1 FJAF CC(C)N(C)C(=O)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 28826663 QJMKFOBLMOQVGG-UHFFFAOYSA-N 354.328 4.732 0 1 FJAF C[C@H]1N=CN(Nc2cccc(Cl)c2)[C@H]1c1cccc(Br)c1 29335448 HRDNTAOYDUQZEY-BDJLRTHQSA-N 364.674 4.903 0 1 FJAF COc1cc(C(=O)c2ccc(-c3ccc(F)cc3)s2)cc(OC)c1OC 40976647 DVNOQKRDFBCXPQ-UHFFFAOYSA-N 372.417 4.811 0 1 FJAF COc1cccc2c1CCC[C@@H]2NCCN1CCC(C2CCCCC2)CC1 45289574 LXALVNKDBHLWFP-QHCPKHFHSA-N 370.581 4.955 0 1 FJAF C/C1=C/CC/C(C)=C/[C@@H](O)[C@@H](C(C)C)[C@@H](OC(=O)c2ccc(O)cc2)C1 64490904 XUVXBQLHPFQADG-PWAYKRMSSA-N 358.478 4.627 0 1 FJAF CC1(C)[C@@H]2C[C@@H]1CC=C2CN1CCCN(CC2=CC[C@@H]3C[C@@H]2C3(C)C)CC1 101044579 BBGHXYBFTRQTBB-ZCQNZVIGSA-N 368.609 4.979 0 1 FJAF COc1cccc(OC)c1[C@H]1CCC(=O)N1Cc1ccc2ccccc2c1 166602975 LLSMZDUNJOKSBC-LJQANCHMSA-N 361.441 4.721 0 1 FJAF Brc1ccc2cc(-c3nc4cnc5ccccc5c4[nH]3)cn2c1 587006477 OIIQDAZHUIKHEO-UHFFFAOYSA-N 363.218 4.793 0 1 FJAF Cc1ccc(-c2nc(-c3nc4cc(C(=O)O)c(F)cc4[nH]3)c(C)s2)cc1 587013059 GZVDGAUSLXKUBQ-UHFFFAOYSA-N 367.405 4.808 0 1 FJAF Clc1ccc(CC2(c3nc4cc(Br)cnc4[nH]3)CC2)cc1 587073584 LRCHCPXQKYDZHT-UHFFFAOYSA-N 362.658 4.648 0 1 FJAF O=C(CCCc1nc2cc(Cl)c(Cl)nc2[nH]1)c1ccc(Cl)cn1 587082511 QZYBNGWPJGGNNG-UHFFFAOYSA-N 369.639 4.519 0 1 FJAF Cc1nccc2[nH]c([C@H](C)n3nc(C(F)F)c(Cl)c3C(F)F)nc12 587128812 DMLRUOMHKLKDMV-LURJTMIESA-N 361.730 4.601 0 1 FJAF N[C@@]1(c2nc3ccc(SC(F)(F)F)cc3[nH]2)C[C@@H]1c1ccccc1F 587159148 ZVMOHTGBIKFUPM-BZNIZROVSA-N 367.371 4.655 0 1 FJAF C[C@@H](CSc1ccc(F)cc1)c1nc2cncc(Br)c2[nH]1 587170226 LTNVXCBDWQXCFX-VIFPVBQESA-N 366.259 4.755 0 1 FJAF CCCCCOc1ccc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)cc1OC 587401515 RYKKJUOPZOZNTJ-FQEVSTJZSA-N 369.461 4.861 0 1 FJAF Cc1ccc(-c2nc([C@@H]3CC(=O)c4cc(C)cc(N)c4O3)cs2)cc1 587412094 HCSNHKAMXAIKIP-SFHVURJKSA-N 350.443 4.716 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](/C=C/N(C)C)(c1cccc(C)c1)CC2=O 587470602 UJRGHWSPAZLODW-MDRMPYQZSA-N 365.473 4.589 0 1 FJAF O=C1C[C@H](c2cc(Cl)c3c(c2)OCCO3)Oc2c1ccc1c2CCCC1 587499707 MGXFCTKZCSAEDD-GOSISDBHSA-N 370.832 4.697 0 1 FJAF CC(C)[C@@H]1CCCC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587603809 PQVRHHSYEOGBTA-DKZVUGQWSA-N 352.430 4.939 0 1 FJAF O=C(O)CCc1c(-c2cc(F)cc(F)c2)[nH]c2cc(Cl)c(F)cc12 587629509 STCDUGRNDNUAPE-UHFFFAOYSA-N 353.727 4.923 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2csc(Cl)c2)N1 587846839 IOICNAWGUUYBLY-WJWGPLDTSA-N 360.679 4.927 0 1 FJAF CC(C)[C@@]1(c2ccc(Cl)c(Cl)c2)NCCc2c(C(=O)O)cccc21 963121655 KRNJSHZYVFMMPM-IBGZPJMESA-N 364.272 4.737 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C(=O)OCC)c1cc(C)cc(F)c1 963227394 JFASNINSCIUYNX-SBUREZEXSA-N 369.480 4.597 0 1 FJAF CCN(Cc1ccc(OC)cc1)C(=O)Cn1c2ccccc2c2ccccc21 1857549654 MXONEOUVLDILIN-UHFFFAOYSA-N 372.468 4.852 0 1 FJAF Cc1ccc(C2=NO[C@@](C)(c3nnc(-c4cccc(Cl)c4)o3)C2)cc1 12477206 HETRXWHGAOYERR-LJQANCHMSA-N 353.809 4.738 0 3 FJAF COc1ccc([C@](C)(O)c2nc(-c3cnc4ccccc4c3)cs2)cc1 61896788 NNSBFNDBGPTNQT-NRFANRHFSA-N 362.454 4.623 0 3 FJAF Cc1ccc([C@H](O)c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)cc1F 61907509 OVESGGKHRXOGFQ-INIZCTEOSA-N 350.315 4.625 0 3 FJAF O=C1[C@@H](Oc2ccccc2)[C@@H](c2cnc3ccccc3c2)N1c1ccccc1 61943136 XOQPFJSBIMCXKY-PKTZIBPZSA-N 366.420 4.770 0 3 FJAF biogenic CSc1nnc(-c2cccc(NC(=S)Nc3ccc(C)cc3)c2)o1 5091959 MQVKZZNMPUWBKS-UHFFFAOYSA-N 356.476 4.576 0 1 FJAF Nc1sc2c(c1C(=O)c1ccc(Br)c3ccccc13)CCC2 13493363 ADDRIEYGNGIDID-UHFFFAOYSA-N 372.287 4.966 0 1 FJAF Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2C(C)C)on1 27304380 APTWZLHUHMDJPS-UHFFFAOYSA-N 356.466 4.675 0 1 FJAF OC1(c2ccccc2)CCN([C@@H](c2ccccc2)c2ccccc2F)CC1 28708206 UUVPAMPYCDXAEZ-QHCPKHFHSA-N 361.460 4.899 0 1 FJAF CCCCCCCCCCCCCCC[C@]1(C)OC(=O)[C@@H](CO)[C@@H]1O 59241940 WUAZQZWJEFJAIL-ZJOUEHCJSA-N 356.547 4.753 0 1 FJAF biogenic S=C(NCCc1ccccc1)N1CC[C@H]2C[C@@H]1c1c(Cl)cccc12 61924076 RQXZCPUCPTUARH-MAUKXSAKSA-N 356.922 4.691 0 1 FJAF O[C@@H](c1ccc(Br)cc1)c1nccc2c1[nH]c1ccccc12 66073800 USSLINYZUFRWLG-SFHVURJKSA-N 353.219 4.560 0 1 FJAF COc1cccc(NC(=O)c2ccc(N3CCCC3)c(C(F)(F)F)c2)c1 66074328 FCFCKXRIIJSOQS-UHFFFAOYSA-N 364.367 4.567 0 1 FJAF CC(=O)N[C@@H](C)CCc1ccc(Oc2ccc(OC3CCCC3)cn2)cc1 66258433 JOPQLBJOBLLJOI-INIZCTEOSA-N 368.477 4.653 0 1 FJAF Oc1ccccc1/C=C1\C(c2ccc(Cl)cc2)=NN=C1C(F)(F)F 84616536 KRBNVUDQZNNBOL-UKTHLTGXSA-N 350.727 4.850 0 1 FJAF O=C(O)CCc1c[nH]c2c(-c3noc(-c4ccc(Cl)cc4)n3)cccc12 84635381 KWDOWALFHQSDSH-UHFFFAOYSA-N 367.792 4.556 0 1 FJAF CC(C)[C@@H](Sc1ccc(Cl)cc1)C(=O)OC1C[C@@H]2CC[C@@H](C1)N2C 102081891 RYSIGTFHFNVXDG-RLFYNMQTSA-N 367.942 4.625 0 1 FJAF CCc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=NC(C)=C2C(=O)OC)s1 103580522 WMKAPLYZENAJMF-SFHVURJKSA-N 359.491 4.928 0 1 FJAF CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cccc2ncccc12 115764852 FJYJYJNZBBGFGP-UHFFFAOYSA-N 364.836 4.939 0 1 FJAF CO[C@H](CNC(=O)/C=C/c1ccccc1)c1ccc(OCC=C(C)C)cc1 238742879 MLCNANOYWKNAAF-UBLKFNIESA-N 365.473 4.549 0 1 FJAF COc1ccc(C)cc1NC(=O)O[C@H]1C[C@]23CCCC[C@]2(CC(=O)C3)C1 253863753 IOIOMZDUUHLONY-HTWNETDVSA-N 357.450 4.624 0 1 FJAF CCOC(=O)c1ccc2nc(-c3cc(Cl)nc4ccccc34)[nH]c2c1 587085655 ZHCDAEPWKHXITC-UHFFFAOYSA-N 351.793 4.608 0 1 FJAF Cn1nc(C(F)(F)F)c(Cl)c1-c1nc2cc(Cl)c(F)c(F)c2[nH]1 587117572 UQEMFNMBWCROMY-UHFFFAOYSA-N 371.096 4.567 0 1 FJAF COc1ccc2nc([C@H](c3ccccc3)N(C)C(=O)OC(C)(C)C)[nH]c2c1 587191464 LZAKEBKIVXHYDD-SFHVURJKSA-N 367.449 4.528 0 1 FJAF Cc1c(C)c2ccc(OCc3cc4c5c(cccc5n3)CC4)cc2oc1=O 587216992 SDJKZJSHDMCGJB-UHFFFAOYSA-N 357.409 4.636 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4cnc(C(F)(F)F)[nH]c-4n3)c2)c1 587235363 NZFQUBFJLAWYCK-UHFFFAOYSA-N 369.350 4.699 0 1 FJAF COc1cc2c3c(c1)O[C@@](C)(Cc1ccc(Cl)cc1Cl)[C@@H](C2)C3=O 587417615 DDKAVQBVYOYEJZ-LIRRHRJNSA-N 363.240 4.751 0 1 FJAF COc1cc2c3c(c1)O[C@](C)([C@H]1C[C@@H]1c1ccccc1Cl)[C@@H](C2)C3=O 587418022 GMFRUAKHAYYTEI-FAPUVCABSA-N 354.833 4.658 0 1 FJAF COc1cc2c3c(c1)O[C@](C)(c1cccc(-c4cccc(N)c4)c1)[C@@H](C2)C3=O 587433769 WFFQEFUIKUFHKF-GBXCKJPGSA-N 371.436 4.607 0 1 FJAF CC(C)Cn1cc([C@]2(C(F)F)CC(=O)c3ccc4c(c3O2)CCCC4)cn1 587504772 KBMOVESSAHYSHE-NRFANRHFSA-N 374.431 4.544 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3cnccc3c2)N1 587779331 QYPSYJPHIUUJQY-WLRWDXFRSA-N 371.253 4.760 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2cc3ccccc3[nH]2)N1 587802868 OAPHITBVABAFHD-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2csc(C3CC3)n2)N1 587850195 CPANGDJONUTHLL-VXJOIVPMSA-N 367.287 4.546 0 1 FJAF COc1ccc(Cl)c2c1CCN[C@]2(Cc1cccc(F)c1)C(F)(F)F 963260798 ZRJUBFNPPDYLHG-KRWDZBQOSA-N 373.777 4.634 0 1 FJAF O=C1NC(Nc2cccc(Cl)c2)=N/C1=C\c1ccc(Cl)c(Cl)c1 6040860 GSASNHVHKRZPFA-AUWJEWJLSA-N 366.635 4.586 0 1 FJAF CCOC(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)oc1-c1ccco1 28226215 HDLVWCTUDZROIQ-UHFFFAOYSA-N 365.307 4.726 0 1 FJAF CCC[C@]1(CCC(=O)O)Cc2cc(OCc3ccccc3)ccc2C1=O 28229984 ARMYTXPZZHDHPS-QFIPXVFZSA-N 352.430 4.656 0 1 FJAF CC[C@]1(c2ccccc2)c2c(F)cccc2NC(=O)N1CC(F)(F)F 36485940 DAGPDAHSXJBBJH-KRWDZBQOSA-N 352.331 4.889 0 1 FJAF Cc1onc(-c2ccccc2Cl)c1C(=O)N(C)c1ccc(N(C)C)cc1 45364543 XYSYBHSSYXCTSM-UHFFFAOYSA-N 369.852 4.646 0 1 FJAF O=C(c1nc(-c2ccc(Cl)cc2)c2ccccc2n1)N1CCCCCC1 84690724 AECKUTXMLTXBIO-UHFFFAOYSA-N 365.864 4.966 0 1 FJAF OC1=C2C(=Nc3n[nH]cc3[C@@H]2c2ccc(F)c(Br)c2)CCC1 100914028 XYLRBVVYGBFPGZ-AWEZNQCLSA-N 362.202 4.525 0 1 FJAF O=C(O)CCCCCC[C@H]1C(=O)CC[C@@H]1c1ccc(C2(O)CCC2)cc1 117770638 RDTODJSCWMCSID-RTBURBONSA-N 358.478 4.546 0 1 FJAF Cc1cccc2c([C@@H](O)C[C@H]3CCCCN3)cc(-c3ccc(F)cc3)nc12 169333451 ICRCFOVMEGQGOD-GCJKJVERSA-N 364.464 4.915 0 1 FJAF COc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccc(C)c3)s2)c1 169351583 SJDOMSJRNBPFPX-UHFFFAOYSA-N 373.499 4.557 0 1 FJAF CCOc1cccc2c1CC[C@H]2Oc1ccc([C@H](CC(=O)O)OCC)cc1 299861542 IKLJTMCXUJGJLM-RTWAWAEBSA-N 370.445 4.704 0 1 FJAF COc1ccc2c(c1)[C@]1(CCO2)C[C@@H]1c1nc2cc(Cl)c(F)cc2[nH]1 586915586 GBWONDOPRMSPDJ-BLVKFPJESA-N 358.800 4.572 0 1 FJAF Brc1cccc2nc([C@H]3SCCc4sccc43)[nH]c12 587036743 LKEFIPOJBVUDFW-ZDUSSCGKSA-N 351.294 4.766 0 1 FJAF Cc1ccc(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1C(F)(F)F 587095272 UMZQKOOLJBAWRW-UHFFFAOYSA-N 370.277 4.802 0 1 FJAF COc1cncc(Cc2cnc3c(C)ccc4c3c2-c2ccccc2C4=O)c1 587096157 DWBBHIFSPGLNNQ-UHFFFAOYSA-N 366.420 4.749 0 1 FJAF CCOc1cc(/C=C/c2nc3ccc(C(C)=O)cc3[nH]2)ccc1OC(F)F 587129090 BTOKNAPVGMXEIE-WEVVVXLNSA-N 372.371 4.936 0 1 FJAF Fc1ccc(/C=C/c2nc3c(Cl)c(Br)cnc3[nH]2)c(F)c1 587148618 IZXGMRMSOBOSOG-DUXPYHPUSA-N 370.584 4.822 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1cc3ccc(Br)cc3[nH]1)O2 587370731 HQPXBZNWTXIORI-QGZVFWFLSA-N 371.234 4.528 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1c(Cl)cnc(Cl)c1Cl)[C@@H](C2)C3=O 587421201 OESVYDQBZJZVGL-AYVTZFPOSA-N 370.619 4.539 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccccc1)([C@H]1C[C@@H]4C=C[C@H]1C4)[C@@H](C2)C3=O 587445984 QVEWIINCVZGJGF-JMWQUUIRSA-N 358.437 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1c[nH]c3nc(Cl)ccc13)CC2=O 587463042 VGYZYXKKEOUQIF-MRXNPFEDSA-N 356.809 4.581 0 1 FJAF CCCc1c(O)ccc2c1O[C@](CCCOC)(c1ccc(F)cc1)CC2=O 587466103 ISEJAORKGLDWSD-QFIPXVFZSA-N 372.436 4.771 0 1 FJAF CCC[C@@]1(CNC(=O)OC(C)(C)C)CC(=O)c2ccc3c(c2O1)CCCC3 587509552 DHASRKXHPACTSP-QFIPXVFZSA-N 373.493 4.594 0 1 FJAF Cc1ccccc1C[C@@]1(C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587602361 JNGWUNXMBHCKIW-NZQKXSOJSA-N 360.409 4.664 0 1 FJAF Cc1cc(C)cc(C[C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)c1 587603869 RZVQWLLJQKLEPZ-LEWJYISDSA-N 360.409 4.582 0 1 FJAF CC1(C)[C@@H]2C[C@H]1CC[C@]21Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587604242 RROAJGKSXODTCD-NDONDOTQSA-N 350.414 4.549 0 1 FJAF COc1cc(-c2ccccc2C(F)(F)F)nn1-c1ccc(Cl)c(C)n1 587860955 HBHOKSNMNHZROX-UHFFFAOYSA-N 367.758 4.924 0 1 FJAF O=C([C@@H]1Cc2c(ccc3ccccc23)O1)n1nc2cc1Oc1ccc(F)cc1-2 587875439 OLWXMIFOQPVCTB-FQEVSTJZSA-N 372.355 4.592 0 1 FJAF OCc1ccc(-c2cnc3cnc(-c4ccc(Cl)cc4Cl)cn23)cc1 653666924 RBETXSWBLBHSDA-UHFFFAOYSA-N 370.239 4.862 0 1 FJAF O=C(CSc1ncnc2sc3c(c12)CCCCC3)c1cccs1 958026463 JHJXUFMWRKZHGM-UHFFFAOYSA-N 360.529 4.997 0 1 FJAF Fc1cccc2c1CCN([C@H]1CCSC1)[C@H]2c1ccc2ncccc2c1 962723251 YVAUYPRPYXXJHV-JTSKRJEESA-N 364.489 4.827 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@H]1c1ccccc1OCCCOC 963243063 RHXSOCGYXPLDTN-MBSDFSHPSA-N 353.506 4.848 0 1 FJAF Cc1cccc(C2=NN(c3ccccc3)[C@H](CO)[C@H]2c2ccc(F)cc2)c1 13813410 HNBIAQXDNPUYTF-FGZHOGPDSA-N 360.432 4.503 0 3 FJAF aggregator O=[S@](Cc1ccccc1)c1nc2ccccc2nc1-c1cccs1 5843787 PYHGYMDSADRIIM-DEOSSOPVSA-N 350.468 4.666 0 1 FJAF COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@@H](O)[C@@H]2OC 40394610 HSNPSWRYBNJNOF-ZJDLJICXSA-N 362.510 4.670 0 1 FJAF CC(C)(C)c1ccc(CN(CC/C=C/c2ccccc2)n2cncn2)cc1 40917899 YIAWAXWXGXPSJH-YRNVUSSQSA-N 360.505 4.817 0 1 FJAF COc1cccc2c1CCC[C@H]2NCCN1CCC(C2CCCCC2)CC1 45289577 LXALVNKDBHLWFP-HSZRJFAPSA-N 370.581 4.955 0 1 FJAF CC(=O)N[C@H]1CC[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 84687390 PULCZGUQVTZMHR-POBGKJHXSA-N 359.554 4.739 0 1 FJAF CC(C)=CN1Cc2ccc(Br)c3[nH]c(=S)n(c23)C[C@@H]1C 101640322 DMBPVUPMAJOKSE-JTQLQIEISA-N 352.301 4.589 0 1 FJAF O=C(c1ccccc1F)N1CC[C@@H]2C[C@@H]1c1cc(N3CCCCC3)ccc12 103060068 WGNACKKMWWBSIB-OPAMFIHVSA-N 364.464 4.891 0 1 FJAF O=C1C[C@@H](c2c(-c3ccccc3)cc3ccccn23)C(=O)N1c1ccccc1 103228406 LMSDGUGITLZYRU-NRFANRHFSA-N 366.420 4.653 0 1 FJAF CC(C)(C)c1ccc2nc(-c3ccnc(Cl)c3Br)[nH]c2n1 586979694 VCBHBYKMGKXNEQ-UHFFFAOYSA-N 365.662 4.733 0 1 FJAF CC(=O)CC/C=C\Cc1c(C)nc2ccc(O)c3c2c1-c1ccccc1C3=O 586992274 UUFQKVMBZMZQSX-HYXAFXHYSA-N 371.436 4.928 0 1 FJAF FC(F)(F)c1cnc2nc(-c3ccc(-c4nccs4)s3)[nH]c2c1 587023118 FEIFSBHDAKURCV-UHFFFAOYSA-N 352.366 4.829 0 1 FJAF CCOC(=O)Cc1ccc2[nH]c(-c3cc4c(s3)CC[C@@H](C)C4)nc2c1 587034388 UAVQSURHRKQGQE-GFCCVEGCSA-N 354.475 4.522 0 1 FJAF C[C@@H]1C[C@H](C(F)(F)F)n2nc(-c3nc4cc(Cl)cc(F)c4[nH]3)cc2N1 587122913 FISVXOHVDXXVMD-KSBSHMNSSA-N 373.741 4.526 0 1 FJAF CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1c1nc2cc(Cl)cc(F)c2[nH]1 587233092 HQFJISXCPSIHQT-CMPLNLGQSA-N 353.825 4.516 0 1 FJAF CNc1cccc(-c2cccc(-c3nc4ccc(C(=O)N(C)C)cc4[nH]3)c2)c1 587234047 ZRINVMFAWYJXKP-UHFFFAOYSA-N 370.456 4.640 0 1 FJAF CCCOc1ccc(Cl)cc1[C@H]1Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587418524 ITBWTESAKSMHLC-FOIQADDNSA-N 358.821 4.626 0 1 FJAF CC[C@]1(c2ccc(OCC(C)C)cc2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444241 YOJZIZPTVSAPHB-AUSIDOKSSA-N 366.457 4.783 0 1 FJAF CCc1ccc(CC(C)(C)[C@@H]2Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587446520 YGLJJYDLCRTTBW-XMSQKQJNSA-N 350.458 4.643 0 1 FJAF CCCc1c(O)ccc2c1O[C@@]1(CCCc3cc(OC)ccc31)CC2=O 587485055 YENFJSIMCCHZNZ-QFIPXVFZSA-N 352.430 4.550 0 1 FJAF CCCc1c(O)ccc2c1O[C@@H](c1cnc(OC)c3ccccc13)CC2=O 587488283 IORDYERZRQIQFO-HXUWFJFHSA-N 363.413 4.608 0 1 FJAF CCCc1c(O)ccc2c1O[C@@](C)(c1sc(C3CC3)nc1C)CC2=O 587493895 INLVTSZMXOBEJT-HXUWFJFHSA-N 357.475 4.868 0 1 FJAF COc1cc(O)c([C@@H]2CC(=O)c3ccc4c(c3O2)CCCC4)c(Cl)c1 587496443 CYHKSUYVQKKYBQ-SFHVURJKSA-N 358.821 4.640 0 1 FJAF Cc1ccc(F)c([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1F 587556334 JKKWFSBNBHGFGA-UWJYYQICSA-N 368.335 4.682 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H](c2cc(O)ccc2Cl)N1 587699414 XCNNIULNHIQSEG-VPTHRUTESA-N 370.649 4.571 0 1 FJAF C[C@H]1C[C@H]1c1ccc([C@@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)o1 587831010 VDCQWXLSBBWACE-NVGOIQCMSA-N 364.258 4.928 0 1 FJAF COc1ccc(-c2ccc(-c3nc4ccc(C)cc4[nH]3)c(O)c2)cc1OC 587925718 CRBZUWFLODMOFH-UHFFFAOYSA-N 360.413 4.928 0 1 FJAF COc1cc(OC)c2nc(-c3ccc(-c4ccccc4OC)cc3)[nH]c2c1 587933365 WRHFQZJPHUOMMS-UHFFFAOYSA-N 360.413 4.923 0 1 FJAF CC[C@@H]1Cc2c([nH]c3ccccc23)[C@@](C)(C[C@@H](C)NC(=O)OC(C)(C)C)N1 962953952 WZHHLXGLKYPSSA-DOQJBMMISA-N 371.525 4.611 0 1 FJAF CC(C)(C)CNC(=S)Nc1ccc2c(c1)CCN2Cc1ccc(F)cc1 1857571643 KXQYKIJQWCBWAP-UHFFFAOYSA-N 371.525 4.721 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCCC(C)=CCO)CCC=C(C)CO 2356677395 BCWFTTZMHWZMCJ-UHFFFAOYSA-N 364.526 4.640 0 1 FJAF COc1ccc(-c2noc(-c3ccoc3)c2C(=O)NC2CCCCC2)cc1 773982 MWJJJEVIGYNVRO-UHFFFAOYSA-N 366.417 4.673 0 1 FJAF COc1ccccc1CNc1nc(-c2ccccc2OC)nc2ccccc12 4239209 QBUYNLCTDWCHPX-UHFFFAOYSA-N 371.440 4.926 0 1 FJAF CCCC[C@H](Br)C(=O)C(Br)=C(Cl)Cl 13450050 ARNXGWUIOAHVBE-YFKPBYRVSA-N 352.881 4.551 0 1 FJAF biogenic CCCCCCOC[C@H](CC(F)(F)P(=O)(O)O)OCCCCCC 13759997 BHSPLSNVNPCXBW-HNNXBMFYSA-N 374.405 4.709 0 1 FJAF CNC(=N)Nc1ccc(OCc2ccccc2)c(-c2cccc(OC)c2)c1 28010298 VYPOCIRKSIXPQK-UHFFFAOYSA-N 361.445 4.507 0 1 FJAF O=C(Nc1ccc(NC(=O)C2CCCCC2)c(Cl)c1)c1ccccn1 66078590 MOHJKAQWWJTSHQ-UHFFFAOYSA-N 357.841 4.506 0 1 FJAF CC[C@H](C)Cn1c(CC(C)C)nc2c(NCc3ccc(F)cc3)ncnc21 82185830 FDZFSSAKJUXANR-HNNXBMFYSA-N 369.488 4.822 0 1 FJAF CCN(CC)C(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4N(C)CCC[C@]4(C)[C@@H]3CC[C@]12C 253634915 QHNHXSFBBNVOAL-MFPJRHPSSA-N 374.613 4.808 0 1 FJAF Cc1ccc(-c2nc3sc(C)nn3c2-c2nc3cc(C)ccc3[nH]2)cc1 473113852 HPZFBPYGXSULSI-UHFFFAOYSA-N 359.458 4.926 0 1 FJAF CN(C(=O)OC(C)(C)C)[C@H](c1ccccc1)c1nc2ccc(Cl)nc2[nH]1 587191866 OOROQHPVUXOCGC-OAHLLOKOSA-N 372.856 4.568 0 1 FJAF CC(=O)N[C@@H](Cc1nc2cc(Cl)c(Cl)cc2[nH]1)c1ccc(C)cc1 587205840 GDIXPPLNPVUAHM-HNNXBMFYSA-N 362.260 4.598 0 1 FJAF COc1cc2c3c(c1)O[C@@](c1ccc(F)cc1)(C1CCCC1)[C@@H](C2)C3=O 587428013 LDZDNWYMOXDBQD-PGRDOPGGSA-N 352.405 4.667 0 1 FJAF COc1cc2c3c(c1)O[C@@H](c1ccc(Oc4ccccc4)cc1)[C@@H](C2)C3=O 587441505 HGEODPCQWXMFMZ-CVDCTZTESA-N 358.393 4.976 0 1 FJAF C[C@H]1CCC[C@@H](N2CCC3(CC2)CC(=O)c2ccc4c(c2O3)CCCC4)C1 587513714 LBRUTVFRSIFQBL-PKOBYXMFSA-N 367.533 4.944 0 1 FJAF CC(C)n1nc([C@H]2CC(=O)c3ccc4c(c3O2)CCCC4)cc1C1CC1 587515418 MPYMGTSXDUOCTB-OAQYLSRUSA-N 350.462 4.927 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H](c2ccc3ccn(C)c3c2)N1 587758550 QRHFWXDQDQFCJX-JEOXALJRSA-N 373.269 4.704 0 1 FJAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)Cc1cccc(Cl)c1 587870560 CVGCKQHFDBQUHK-UHFFFAOYSA-N 358.800 4.624 0 1 FJAF COc1ccc(C[C@@H](C)c2nc3ccc4c(c3[nH]2)CCCC4)cc1OC 587925151 BQFHGZDWJNZXBZ-CQSZACIVSA-N 350.462 4.805 0 1 FJAF CC(C)(C)[C@@H]1CC[C@@H](c2nc3ccc(S(=O)(=O)C(F)(F)F)cc3[nH]2)C1 587970091 YLRDCZJWMQVYKD-GHMZBOCLSA-N 374.428 4.786 0 1 FJAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccccc1OC1CCCC1 963060205 RMFWZDHLUKFACE-XMMPIXPASA-N 374.484 4.800 0 1 FJAF Fc1c([C@@H]2NCCc3c(Cl)cc(Cl)cc32)cnn1-c1ccccc1 963123214 PFUFJYZQXOPNQY-QGZVFWFLSA-N 362.235 4.553 0 1 FJAF O=C(O)c1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1 1772618885 KPYDJHQQYLJTFB-UHFFFAOYSA-N 374.322 4.681 0 1 FJAF O=C(CCCc1ccc(-c2cccnc2F)cc1)Nc1ccc(O)cc1 1772646256 ULZGONBLGFFMKX-UHFFFAOYSA-N 350.393 4.555 0 1 FJAF Oc1cccc(-c2cc(-c3cccc(O)c3)c3c(n2)-c2ccccc2[C@@H]3O)c1 1857630015 WGPGGEWJWKBUFB-DEOSSOPVSA-N 367.404 4.889 0 1 FJAF CC(=O)OCC(=CCCC(C)=CCO)CCC=C(CO)CCC=C(C)C 2356549871 KUVDJZSOBICLHS-UHFFFAOYSA-N 364.526 4.640 0 1 FJAF CC(=O)c1ccc(C(=O)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 5745070 RTGQGPJBDTZFNC-UHFFFAOYSA-N 350.443 4.882 0 1 FJAF CN1[C@H]2CC[C@@H]1CC(OC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2 13833441 HNDKJDCYXITJAR-DFNIBXOVSA-N 372.468 4.684 0 1 FJAF CC(=O)[C@H](CCCc1ccc(C(=O)O)cc1)CCCC1(O)CCCCC1 27091314 UBGDHJGSTSYABQ-LJQANCHMSA-N 360.494 4.778 0 1 FJAF COc1ccc2c(c1)O[C@@H](c1ccc(OC)c(CC=C(C)C)c1)CC2=O 28653781 ILPSUGGEGIEBKX-OAQYLSRUSA-N 352.430 4.919 0 1 FJAF CN1Cc2cc(-c3cccnn3)ccc2[C@H](c2ccc3sccc3c2)C1 35966342 FHVZRKFXAWGVLU-FQEVSTJZSA-N 357.482 4.936 0 1 FJAF Cc1ccccc1-c1ccc2c(ccc3sc4c(c32)NC[C@@H](C)NC4=O)n1 43016705 LFNXZWVZXRCIBL-CYBMUJFWSA-N 373.481 4.969 0 1 FJAF O=C(Nc1ccccc1)Nc1ccc(NCc2ccccc2C(=O)O)cc1 71295876 QOCXMBUYFJZRPF-UHFFFAOYSA-N 361.401 4.641 0 1 FJAF CC[C@@H](C)Cn1c(C(C)C)nc2c(NCCc3ccc(F)cc3)ncnc21 82187544 XQDGLXYMCNHROE-OAHLLOKOSA-N 369.488 4.790 0 1 FJAF O=C(NCc1ccccc1Cl)c1nc2c(-c3ccccc3)cccc2[nH]1 103268347 CEWVABUVRQMIND-UHFFFAOYSA-N 361.832 4.813 0 1 FJAF CCO/C(O)=C1/C(C)=Nc2nc3ccccc3n2[C@H]1c1sccc1C 103530027 LWFMRSRUCDSXBW-BJYOTHFNSA-N 353.447 4.908 0 1 FJAF CCCCN1CC[C@@]2(c3cccc(O)c3)C[C@H]1Cc1[nH]c3ccccc3c12 253695382 NFMMEMGJUAQARN-KOSHJBKYSA-N 360.501 4.980 0 1 FJAF CC(C)c1cc(-c2nc3ccc([C@H](N)N=O)cc3[nH]2)c(O)c(C(C)C)c1 586896156 IKMUOKXDPITJMA-LJQANCHMSA-N 352.438 4.906 0 1 FJAF CCOC(=O)Cc1ccc2nc(-c3cccc(-c4ccc(O)cc4)c3)[nH]c2c1 586898613 QASAMNYQEFGWRK-UHFFFAOYSA-N 372.424 4.708 0 1 FJAF O=C1c2ccccc2-c2cc(-c3cccc(O)c3F)nc3ccc(O)c1c23 586988958 UKDUMIRBDYMMRE-UHFFFAOYSA-N 357.340 4.664 0 1 FJAF Fc1cnc(Cl)c2nc(-c3c(-n4cccc4)sc4c3CCC4)[nH]c12 587033117 TWGNLQLCHIPRMB-UHFFFAOYSA-N 358.829 4.758 0 1 FJAF CC[C@]1(c2ccccc2Br)CC(=O)c2cc(C)cc(N)c2O1 587374986 AWZFBXCTODPZHC-GOSISDBHSA-N 360.251 4.610 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CCCOc3c1ccc1ccccc31)O2 587407574 CSMCNGVGDSLQBU-HSZRJFAPSA-N 359.425 4.764 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C)(C(F)(F)[C@@H](F)C(F)(F)F)CC2=O 587463393 YQUVIASXNHDAFT-KGLIPLIRSA-N 370.289 4.604 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](CCCCOc1ccccc1)CC2=O 587477619 DHVKPYRKHRYMBH-QGZVFWFLSA-N 354.446 4.928 0 1 FJAF CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccc(S(C)(=O)=O)cc12 587650160 OVQSYUNTOZHTKM-UHFFFAOYSA-N 367.392 4.820 0 1 FJAF COC1([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)CCCCC1 587807440 CKRMOAJCWJQVEG-ZBEGNZNMSA-N 356.279 4.513 0 1 FJAF CCC1(CC)[C@H](OC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587807533 DNXPUHHXOLWWRJ-LIXBPZJASA-N 370.306 4.543 0 1 FJAF Cc1ccc2c(c1)CC[C@]21N[C@@H](C)Cc2cc(Br)c(F)cc21 587817439 LBXUHGFRFCZRGX-BUXKBTBVSA-N 360.270 4.621 0 1 FJAF Cc1cc(C)c([C@@]2(C)N[C@@H](C)Cc3cc(Br)c(F)cc32)o1 587831459 XBRDLPOFKGNCNS-BTDLBPIBSA-N 352.247 4.596 0 1 FJAF CSC(C)(C)C[C@]1(C)N[C@H](C)Cc2cc(Br)c(F)cc21 587841211 QRDZNVFRWLLIKV-HWPZZCPQSA-N 360.336 4.869 0 1 FJAF CCOc1cc(C=O)c(OCC)n1-c1cccc(-c2cccc(OC)c2)c1 587926954 RVRZRUMTXCUUQJ-UHFFFAOYSA-N 365.429 4.763 0 1 FJAF N[C@@H](N=O)c1ccc2nc([C@@H](Cc3ccccc3)c3ccccc3)[nH]c2c1 587955766 NPTHZWQVSNBVAL-RXVVDRJESA-N 356.429 4.661 0 1 FJAF CN1N=C2c3ccccc3O[C@H](c3ccccc3)[C@@H]2[C@@H]1c1cccc(O)c1 653882153 QSWYEANWSAACBW-ACIOBRDBSA-N 356.425 4.533 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1cc(OC)c(OC)cc1F 963236201 XTLSRVCQUFKJIU-OYHNWAKOSA-N 357.469 4.763 0 1 FJAF CC(=O)c1ccccc1-c1cccc([C@H](CC(=O)O)c2ncc(C)s2)c1 1772585625 FCEQULOLPGWXJZ-IBGZPJMESA-N 365.454 4.928 0 1 FJAF CCc1nc2sccn2c1CNCCc1ccc(Cl)c(Cl)c1 1857540338 CEVKHIASAWBGDY-UHFFFAOYSA-N 354.306 4.597 0 1 FJAF N=c1[nH]c(-c2cccc(C(F)(F)F)c2)c(-c2ccc3ncccc3n2)s1 1857639120 ILYCOPBQVPZHDQ-UHFFFAOYSA-N 372.375 4.852 0 1 FJAF C=CC(C)=CC[C@@H]1C(C(=O)O)=C[C@H](OC(C)=O)[C@H]2C(C)(C)CCC[C@]12C 2356642301 CDYBXHABQVLJHE-MDPIYQRISA-N 360.494 4.914 0 1 FJAF C[C@H]1NC[C@]23CC[C@@H]4[C@@]5(C)CC[C@H](N(C)C)CC5=CC[C@@]4(C)[C@@H]2CC[C@H]13 2356657339 BUIVDTLPPVBRTG-KFFAKLKZSA-N 356.598 4.858 0 1 FJAF COc1ccccc1/C=C/c1c(N)ncnc1Nc1cccc(Cl)c1 1663745 FLTVXYFGUTYAFM-MDZDMXLPSA-N 352.825 4.635 0 1 FJAF Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3cccc(F)c3)n2)c1 13489756 FSSRJBLZRYMFLQ-UHFFFAOYSA-N 359.408 4.829 0 1 FJAF O=C1CCC[C@@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)N1 13730574 VCVZGOIXEBRSDB-KRWDZBQOSA-N 363.486 4.505 0 1 FJAF Brc1ccc([C@H](OCCCc2c[nH]cn2)c2ccccc2)cc1 26151757 JBDSWZMJZZCWSI-LJQANCHMSA-N 371.278 4.911 0 1 FJAF NC(=S)N1N=C(c2ccc(Cl)c(Cl)c2)C[C@H]1c1ccc(F)cc1 53298528 DHJGSIJZTMFTAU-HNNXBMFYSA-N 368.264 4.527 0 1 FJAF CC12CCCc3cc(NC(=O)c4ccc(C(=O)O)s4)cc(c31)CCC2 59027568 AQFPDSQQKKJYJG-UHFFFAOYSA-N 355.459 4.629 0 1 FJAF COc1ncc(Cc2ccc(C3CC3)cc2C(=O)O)cc1-c1ccccc1 96173334 TVEOUBZCYRTCSP-UHFFFAOYSA-N 359.425 4.924 0 1 FJAF C[C@H]1[C@@H]2Cc3ccc(SC(=O)c4ccccc4)cc3[C@]1(C)CCN2C 100684509 ZWNBQNVLKMXTEK-GJULWVSJSA-N 351.515 4.773 0 1 FJAF COC(=O)[C@H]1[C@@H]2CC[C@H]3C[C@H]1/C(=C/c1ccc(-c4ccsc4)s1)CN32 101028667 CBNNPWOODQAMIN-OAFLNSQSSA-N 371.527 4.516 0 1 FJAF C/C=C/COc1cc(/C=C\c2cc(OC)c(OC)c(OC)c2)ccc1OC 103239148 DKNZQPPSIOZAKV-MUIOLIGRSA-N 370.445 4.846 0 1 FJAF Cc1ccc(-c2ccc(CCC(=O)Nc3ccccc3C(=O)O)cc2)cc1 473110945 YGZWPABDRDZLTP-UHFFFAOYSA-N 359.425 4.932 0 1 FJAF Cc1cc(Br)ccc1-n1cccc1-c1nc2cc(O)ccc2[nH]1 586981262 NDUROCYETPPFOZ-UHFFFAOYSA-N 368.234 4.797 0 1 FJAF Cc1c(CC(=O)C(F)(F)F)nc2c(C)ccc3c2c1-c1ccccc1C3=O 586994056 VPNBFCNBZCIYSK-UHFFFAOYSA-N 369.342 4.737 0 1 FJAF CC(C)(Cl)c1nc2cc(Br)c(Br)cc2[nH]1 587008819 PASYZHNMWHCTBA-UHFFFAOYSA-N 352.457 4.562 0 1 FJAF Cc1c(-c2nc3cc4ccccc4cc3[nH]2)nnn1Cc1ccc(Cl)cc1 587074054 PVHWUINCVQDUOO-UHFFFAOYSA-N 373.847 4.985 0 1 FJAF Cc1cnc(Cl)c2nc(-c3ccc(-c4ccc(Cl)nn4)cc3)[nH]c12 587085393 QGPQGPIIXHAICL-UHFFFAOYSA-N 356.216 4.697 0 1 FJAF Cc1ccc2c3c(c4c(nc13)C[C@@H]1C[C@H](C(=O)O)C[C@@H]41)-c1ccccc1C2=O 587100455 ACFQCXSZBBUQGU-GDZNZVCISA-N 369.420 4.505 0 1 FJAF Cc1c(F)cc(-c2nc3c(Cl)c(Br)cnc3[nH]2)cc1F 587132998 NKXKPERLWMUQQU-UHFFFAOYSA-N 358.573 4.627 0 1 FJAF Fc1ccc(-n2nnc(-c3nc4cc(Cl)c(F)cc4[nH]3)c2C2CC2)cc1 587169191 WSMFVLKPYSYEAA-UHFFFAOYSA-N 371.778 4.620 0 1 FJAF COc1ccc(NC(C)(C)c2nc3ccc(OC(F)(F)F)cc3[nH]2)cc1 587201187 JHZNIGGNAOJJIB-UHFFFAOYSA-N 365.355 4.817 0 1 FJAF Cc1cc2nc(-c3cccc(C(=N)NC(=O)OC(C)(C)C)c3)[nH]c2cc1C 587203367 MTCRMXIXMUVXNC-UHFFFAOYSA-N 364.449 4.697 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1ccc(-c4ccc(F)cc4F)o1)[C@@H](C2)C3=O 587427349 SUBSVLALFWUZSG-QKKBWIMNSA-N 368.335 4.722 0 1 FJAF C[C@H](O)[C@]1(c2ccc(Cl)s2)CC(=O)c2ccc3c(c2O1)CCCC3 587532341 PQJWCSOWXJNGEX-WLRWDXFRSA-N 362.878 4.522 0 1 FJAF Cc1cc(=O)oc2cc([C@@H]3CC(=O)c4ccc5c(c4O3)CCCC5)ccc12 587532898 QTKHLGJYAWCQDN-FQEVSTJZSA-N 360.409 4.687 0 1 FJAF C[C@]1([C@@H]2CC3CCC2CC3)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587603709 RAYYZPJNINOOPA-ABJMYTERSA-N 364.441 4.939 0 1 FJAF C[C@@]1(c2ccc(S)cc2)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587610675 DMPWRFXZAQSAGX-RXVVDRJESA-N 364.422 4.558 0 1 FJAF CSc1ccc([C@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)cc1 587611630 HGLJUWUSSSKDRR-GHTZIAJQSA-N 364.422 4.817 0 1 FJAF O=C(c1ccccn1)c1c(-c2ccccn2)[nH]c2ccc(F)c(Cl)c12 587632380 VXVKXIGBZKANJF-UHFFFAOYSA-N 351.768 4.648 0 1 FJAF c1ccc(Cn2cc([C@H]3NCCc4cccc(-c5ccccc5)c43)cn2)cc1 962660304 ICURAOAXGTZKNE-RUZDIDTESA-N 365.480 4.834 0 1 FJAF CC[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C(=O)C(F)(F)F)cc2)N1 962943274 GKBXEAOYKBCXGP-KSSFIOAISA-N 372.390 4.927 0 1 FJAF CCCN1[C@@H](C)Cc2ccccc2[C@]1(C)c1ccc(OCCOC)cc1 963244902 XQEORINJOVAHLX-MBSDFSHPSA-N 353.506 4.632 0 1 FJAF CCC[C@H](Nc1ccc2c(c1)N(C1CC1)[C@@H](C)C(=O)N2C)c1ccccc1 1857745420 MKXAMXPDWRVKHM-JXFKEZNVSA-N 363.505 4.974 0 1 FJAF COc1ccc(Nc2c(-c3cccc(OC)c3)nc3nc(C)cc(C)n23)cc1 95599873 FFOMFYYKKOBLAG-UHFFFAOYSA-N 374.444 4.774 0 3 FJAF CC(C)(C)C(=O)N1CC[C@H]2C[C@H]1c1cc(-c3ccc4c(c3)OCO4)ccc12 101841288 WPOMEMRUSBHGPF-LPHOPBHVSA-N 363.457 4.889 0 3 FJAF COc1cc(O)cc([C@@H]2CCc3c(OC)cc(O)c(CC=C(C)C)c3O2)c1 14762575 OKXSQEFLSCOCRF-FQEVSTJZSA-N 370.445 4.690 0 1 FJAF biogenic CN1[C@H]2CC[C@@H]1CC(OC(=O)N(Cc1ccsc1)c1ccsc1)C2 28825441 NNUZSHSDIMQZLW-FKEKPDDDSA-N 362.520 4.578 0 1 FJAF Cc1ccc(Cn2cc(/C=C3/[C@@H](O)C4CCN3CC4)c3cc(C)ccc32)cc1 28826446 LARPDBUKXSJEJJ-KXERKJKRSA-N 372.512 4.734 0 1 FJAF CC[C@H]1Cc2cc(OC(C)=O)ccc2-c2cc3ccc(OC(C)=O)cc3n21 29328103 CRJZYWXHYZTHBO-KRWDZBQOSA-N 363.413 4.666 0 1 FJAF CN(CCOc1ccccc1Sc1ccc(C(C)(C)C)cc1)CC(=O)O 36143386 OSPYRSZQFUEPHJ-UHFFFAOYSA-N 373.518 4.531 0 1 FJAF Cn1ncc2ccc(-c3ccc4ncnc(NCc5cccs5)c4c3)cc21 64593651 UDDOADGLWVILSJ-UHFFFAOYSA-N 371.469 4.857 0 1 FJAF CCCCCn1c(CCC)nc2c(NCc3ccc(C)cc3)ncnc21 82179367 ADFMIUIDKPHSFW-UHFFFAOYSA-N 351.498 4.890 0 1 FJAF CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ncc(Cl)cc2F)cc1 103199354 WAHCDVGKSSIALI-GFCCVEGCSA-N 367.804 4.777 0 1 FJAF C[C@@H](O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(F)cc2)C1 103252372 JTWFOVKRVUEGDP-WBMJQRKESA-N 369.358 4.556 0 1 FJAF Fc1ccc(Nc2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1 103269848 BFMUGUDJLLSTIO-UHFFFAOYSA-N 355.376 4.827 0 1 FJAF CC(C)C[C@H]1C[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2c2[nH]c3ccccc3c21 105481253 UIXOARAAEKCNHD-RRMPHLOHSA-N 372.468 4.975 0 1 FJAF CN1CC=C2CC[C@H]3[C@@H]4CC=C(n5ccnc5)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 169226866 IMFIYLQYANYBPX-CWMMHYCISA-N 351.538 4.838 0 1 FJAF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1C(=O)Cc1ccc(C)cc1 473122521 SYNYWWQQBCCCKA-UHFFFAOYSA-N 355.821 4.732 0 1 FJAF COc1ccc(C=O)c2cc(-c3nc4cc(OC(C)C)ccc4[nH]3)oc12 586902722 BXDPLERFAHRKML-UHFFFAOYSA-N 350.374 4.584 0 1 FJAF Cc1nc2ccc(O)c3c2c(c1Cc1ccc(O)cc1)-c1ccccc1C3=O 586990464 FUQRBTIOSZBKTR-UHFFFAOYSA-N 367.404 4.757 0 1 FJAF Cc1cc(-c2nc3cc(O)ccc3[nH]2)ccc1-c1ccc(C(=O)O)c(F)c1 587144723 OKKZQTMYRLGEML-UHFFFAOYSA-N 362.360 4.748 0 1 FJAF COc1cc(C)c(N)c(-c2nc3cccc(OCc4ccccc4)c3[nH]2)c1 587249189 KEAIZXQRDAJOJA-UHFFFAOYSA-N 359.429 4.708 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@](Cc1ccc(F)cc1)(c1ccccc1)O2 587385115 RIFBNACAUOALCY-QHCPKHFHSA-N 361.416 4.820 0 1 FJAF CCCc1c(O)ccc2c1OC1(CC2=O)CC(c2ccccc2OC)C1 587476147 DNBQCEQILIHOGI-UHFFFAOYSA-N 352.430 4.635 0 1 FJAF CCCc1c(O)ccc2c1O[C@]1(CCCCCC[C@@H]1C(=O)OCC)CC2=O 587477874 HQNBZLYEUXWOHD-VGOFRKELSA-N 374.477 4.582 0 1 FJAF CCCc1c(O)ccc2c1O[C@](C[C@H]1CCOC1)(c1ccccc1)CC2=O 587491730 PKCXOOSRIBASMV-MWTRTKDXSA-N 366.457 4.632 0 1 FJAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1cc(F)c(F)cc1F 587555900 HPQKMIRWDISJSS-FXAWDEMLSA-N 372.298 4.512 0 1 FJAF COC(=O)c1c(-c2ccc(C(F)(F)F)nc2)[nH]c2c(C)cc(Cl)cc12 587624767 USOABUUGXDUAQY-UHFFFAOYSA-N 368.742 4.997 0 1 FJAF CCOc1ccc(C(=O)c2c(C(F)(F)F)[nH]c3cccc(F)c23)cc1 587633756 LALNEMTVUIDHGN-UHFFFAOYSA-N 351.299 4.956 0 1 FJAF CCCCCCC(=O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587658508 NURKKGCTOGIBGP-UHFFFAOYSA-N 352.409 4.813 0 1 FJAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H](c2ccc3[nH]ccc3c2)N1 587807648 XRVHHTMKGHYCTL-MGNBDDOMSA-N 359.242 4.693 0 1 FJAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H](c2coc3ccccc23)N1 587831044 VMOUWOGRPARKRZ-XTZNXHDOSA-N 360.226 4.958 0 1 FJAF COc1ccc([C@@H](O)[C@H](C)c2nc3cc(Cl)cc(Cl)c3[nH]2)cc1 587936446 LKWUSMOFSQCNOC-FVMDXXJSSA-N 351.233 4.715 0 1 FJAF COc1cc(C(C)=O)c(OC)n1-c1ccc(Oc2ccc(F)cc2)c(F)c1 587944397 DPKCWWOKARESBH-UHFFFAOYSA-N 373.355 4.768 0 1 FJAF Oc1c(Br)ccc2[nH]c(-c3ccc(OC4CCC4)cc3)nc12 587951821 SUHMBCVLJCIUNV-UHFFFAOYSA-N 359.223 4.629 0 1 FJAF CCCCCCNC(=O)Oc1cccc(-c2ccc(C(=O)O)cc2F)c1 653717914 XHVDKPBVUCNNPH-UHFFFAOYSA-N 359.397 4.860 0 1 FJAF COc1cccc2cc3c(nc12)[C@](C)(Cc1ccc(Cl)cc1)NCC3 963050286 XXRUKPLMFJTQOK-NRFANRHFSA-N 352.865 4.500 0 1 FJAF Cc1nc(-c2cccc3ccccc23)sc1C(=O)N(C)Cc1cccnc1 1772617438 UGSOAWJOVKZBHH-UHFFFAOYSA-N 373.481 4.939 0 1 FJAF Clc1ccc(C[N@]2C[C@@H]2COc2cccc3cnccc23)c(Cl)c1 1857742800 FAXVDFJZIAPIMJ-WAIKUNEKSA-N 359.256 4.805 0 1 FJAF Nc1oc2c(-c3ccncc3)nc(F)cc2c1Nc1ccc(F)c(F)c1 1857774648 VIKXASYFKVPFPF-UHFFFAOYSA-N 356.307 4.633 0 1 FJAF C[C@@H]1CC[C@@]23C[C@@]4(N=NC[C@@H]4CC[C@H]2[C@]1(C)CCc1ccoc1)C(=O)O3 2356480083 OJFOBBOSLUSWJP-CQAWWZBVSA-N 356.466 4.565 0 1 FJAF CC(=O)O[C@H]1CCC(C)=CC=C(C(C)C)CC[C@@](C)(O)[C@H]2CC[C@@]1(C)O2 2356506159 DPTKQCRAINPRHK-CIAFKFPVSA-N 364.526 4.710 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H](OC(C)=O)C(C(C)C)=CC3=CC[C@H]12 2356549866 KTQALDLKCGBREQ-NBRHSQTJSA-N 374.521 4.836 0 1 FJAF CC(C)C[C@@H](N)c1csc(Nc2cc(Oc3ccccc3)ncn2)n1 61928538 FXBSUASPKMZCJY-CQSZACIVSA-N 355.467 4.515 0 3 FJAF COC(=O)c1ccc(Oc2nc3ccccc3nc2-c2cccs2)cc1 1648562 LAPAPGUYNQCART-UHFFFAOYSA-N 362.410 4.937 0 1 FJAF FC(F)(F)c1cc(-c2ccc3c(c2)OCO3)nc(NC2CCCCC2)n1 3894530 IKZJPGZTIYYYCV-UHFFFAOYSA-N 365.355 4.636 0 1 FJAF Cc1cc(-c2cc(O)c(SCc3ccccc3)c(=O)o2)cc(C)c1O 6521963 AGGZKTQUDDBSTB-UHFFFAOYSA-N 354.427 4.627 0 1 FJAF CC(=O)Nc1cccc(-c2cncc(NCc3ccc(F)c(Cl)c3)n2)c1 13679297 DXCYGLXVGWPKEI-UHFFFAOYSA-N 370.815 4.507 0 1 FJAF COc1ccc2c(Cc3ccc(C(C)=O)cc3)ccc([C@@H](C)C(=O)O)c2c1 26643069 SJTSWLBTIQXSJZ-CQSZACIVSA-N 362.425 4.830 0 1 FJAF CNC(=N)Nc1ccc(OCc2ccccc2)c(-c2ccc(OC)cc2)c1 28008184 BSFIJQQABLASDL-UHFFFAOYSA-N 361.445 4.507 0 1 FJAF CCCNC(=O)NC(=O)[C@@H](CC1CCCC1)c1ccc(Cl)c(Cl)c1 49088162 UKPWBJLLDLQOMR-AWEZNQCLSA-N 371.308 4.893 0 1 FJAF CCc1cnc(-c2cnc(N3CCCC3)nc2-c2cccc(C)c2)s1 82219896 BJPPWXKGCQHHHW-UHFFFAOYSA-N 350.491 4.738 0 1 FJAF CCc1ccc(-n2c(Cl)cc3[nH]c(=O)c(-c4ccccc4)c(O)c32)cc1 96913629 CNKANSZIAKIZPN-UHFFFAOYSA-N 364.832 4.907 0 1 FJAF c1ccc(CCN[C@H]2CO[C@H](C(c3ccccc3)c3ccccc3)C2)cc1 103228722 RGYZGJKKKYQJQI-RPWUZVMVSA-N 357.497 4.808 0 1 FJAF Nc1ccccc1NC(=O)CCCCCCc1nc(-c2cccs2)no1 138101534 JRPMXODVZZRHCI-UHFFFAOYSA-N 370.478 4.512 0 1 FJAF Fc1ccc(CNc2nc(N3CCCCC3)nc3ccccc23)c(F)c1 140644535 GERGHFYHMVQMBU-UHFFFAOYSA-N 354.404 4.510 0 1 FJAF Oc1cc(-c2ccccc2)c2c(-c3cnc(-c4cccnc4)s3)[nH]nc2n1 263620471 GPTXKTBHBIQZEL-UHFFFAOYSA-N 371.425 4.516 0 1 FJAF in-vitro COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2SC3)cc1 473145191 MTJGZVIQMHPUTQ-UHFFFAOYSA-N 351.431 4.510 0 1 FJAF Oc1cccc(CCc2nc3cc(OC(F)(F)F)c(Cl)cc3[nH]2)c1 586896575 FMAZXBAHFKICJV-UHFFFAOYSA-N 356.731 4.606 0 1 FJAF COc1cc(Cl)cc(C=O)c1OCc1nc2cc(C)c(Cl)cc2[nH]1 587065197 MDRLWYKDJRZNHS-UHFFFAOYSA-N 365.216 4.578 0 1 FJAF OCc1ccc(-c2cc(Cl)cc(-c3nc4ccc(O)cc4[nH]3)c2)cc1 587067452 ARLNDCZWVINXBN-UHFFFAOYSA-N 350.805 4.748 0 1 FJAF O=C1CCc2cc3nc(C4(c5ccc(Cl)cc5)CCC4)[nH]c3cc2N1 587073567 GYGWVEUIRIVDQJ-UHFFFAOYSA-N 351.837 4.571 0 1 FJAF Cc1ccc2c3c(cc(-c4cccnc4C(=O)O)nc13)-c1ccccc1C2=O 587098375 UDPQYEDHHGPAGP-UHFFFAOYSA-N 366.376 4.515 0 1 FJAF COc1cc2nc(-c3ccc4nc(C(F)(F)F)[nH]c4c3)[nH]c2cc1Cl 587120477 KSGDISKFPOSILV-UHFFFAOYSA-N 366.730 4.787 0 1 FJAF O=C(O)c1cccc2c1Cc1c-2nc2cccc3c2c1-c1ccccc1C3=O 587205951 FDMNDKIKAHUQQO-UHFFFAOYSA-N 363.372 4.716 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](CCc1ccc(Cl)c(Cl)c1)O2 587374119 GRXUSXIZIWJQMU-GFCCVEGCSA-N 350.245 4.851 0 1 FJAF COc1cc([C@@H]2CC(=O)c3cc(C)cc(N)c3O2)ccc1OCCC(C)C 587400285 MINQZSRNDRVNMT-FQEVSTJZSA-N 369.461 4.717 0 1 FJAF COc1cc2c3c(c1)O[C@H](c1cc(C(C)C)c(OC)cc1C)[C@@H](C2)C3=O 587441855 IDQYZINSECRJAP-HTAPYJJXSA-N 352.430 4.624 0 1 FJAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](C)(CCc2ccco2)N1 587826897 GPERPGPCDFJBBF-APPDUMDISA-N 352.247 4.563 0 1 FJAF O=C(c1csc(-c2cccs2)n1)n1nc2cc1Oc1ccc(F)cc1-2 587875412 FCGIPDQZTYDTGN-UHFFFAOYSA-N 369.402 4.668 0 1 FJAF Cc1nnc(N2CCCC2)c(-c2nc(-c3cc(F)ccc3F)cs2)c1C 587922747 ZNQOQSPCIKPMCR-UHFFFAOYSA-N 372.444 4.762 0 1 FJAF Brc1ccc2c(c1)[C@H]([C@H]1CCc3ccccc3C1)NC1(CC1)C2 961329107 XKPCNLVXEJNBKL-JXFKEZNVSA-N 368.318 4.974 0 1 FJAF Cc1ccnc2c1CCN[C@@H]2c1cc2c(Br)cccc2s1 963070874 HEJOAPLYDGOFLV-QGZVFWFLSA-N 359.292 4.602 0 1 FJAF Oc1ccc2c(c1)[C@@H](c1cnn(C3CCCC3)c1-c1ccccc1)NCC2 963330281 WFKFUYCYRFTRMC-QFIPXVFZSA-N 359.473 4.606 0 1 FJAF CCCCCSC[C@H]1CCc2cc([C@H]3CC[C@](N)(CO)C3)ccc2C1 2382220052 ZUUHDDHXNUOSMK-BULFRSBZSA-N 361.595 4.672 0 1 FJAF CCOc1ccccc1NC(=O)CSc1c[nH]c2c(Cl)cccc12 2382245179 CMSIMEXKBOJMND-UHFFFAOYSA-N 360.866 4.951 0 1 FJAF O=C(Nc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O 2382250036 CVPLBJIFGTZNIV-UHFFFAOYSA-N 371.392 4.624 0 1 FJAF O=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)S1 7098702 QFMVAAOQCSFDDI-MFOYZWKCSA-N 368.845 4.667 0 1 FJAF C/C(C[C@H]1CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)=N\O 39053250 FEMIUPGALVTKAK-QVEZESPLSA-N 357.494 4.554 0 1 FJAF CN(C(=O)[C@]1(C)CC2c3ccccc3C1c1ccccc12)c1nccs1 40913377 OODSITSYQDCJCK-OBFZPWGMSA-N 360.482 4.793 0 1 FJAF Cc1ccccc1SC[C@@H](C)CN[C@@H]1COc2ccccc2SC1 42965792 PHRSSAZMQCGYNB-DOTOQJQBSA-N 359.560 4.866 0 1 FJAF Cc1ccncc1-c1nc(C)c2c(C)nc3ccc(OC(F)(F)F)cc3n12 73168805 QHGMHJUMRABSPO-UHFFFAOYSA-N 372.350 4.768 0 1 FJAF c1ccc([C@H](c2ccc(Nc3nc4ccccc4o3)cc2)n2cnnc2)cc1 87612862 ARWCHMOSESFXRO-OAQYLSRUSA-N 367.412 4.801 0 1 FJAF CCN(CC)C(=O)c1c(O)cc(O)cc1CCc1ccc2ccccc2c1 95586673 VDHNSHKKROVEOA-UHFFFAOYSA-N 363.457 4.518 0 1 FJAF O=C(O)c1cc(-c2ccccc2OCc2ccccc2Cl)ccc1O 103239705 VYEAPYGLQMCGKZ-UHFFFAOYSA-N 354.789 4.990 0 1 FJAF Cc1ccc(OC(=O)[C@H]2[C@@H](c3ccc(Cl)cc3)C[C@@H]3CC[C@@H]2N3C)cc1 169365748 QGPBRSDGYQTSKG-NRDMVMEKSA-N 369.892 4.820 0 1 FJAF CC(C)CCOc1cc2nc([C@@](C)(O)C(C)C)[nH]c2cc1Br 586889985 OQFXDNLVQUQQBX-KRWDZBQOSA-N 369.303 4.614 0 1 FJAF Cc1nc(COc2cccc(-c3nc4cc(F)c(F)cc4[nH]3)c2)cs1 587020379 QHXAPOCHGCYZHV-UHFFFAOYSA-N 357.385 4.852 0 1 FJAF COc1ccc2nc(-c3sc(-c4ccccc4)nc3C(F)F)[nH]c2n1 587127954 DSAQNPCACMWSQA-UHFFFAOYSA-N 358.373 4.695 0 1 FJAF Fc1ccc(/C=C(\c2nc3nc(Cl)c[nH]c-3n2)c2cccs2)cc1 587163005 FKIJDWUUYPEWLQ-WQLSENKSSA-N 356.813 4.747 0 1 FJAF c1ccc(CN2C[C@@H]3CCCc4c(nc5cccc6c5c4CC6)[C@H]3C2)cc1 587212675 PYNOOMJMQIJDIW-UGKGYDQZSA-N 354.497 4.885 0 1 FJAF CCCc1c(O)ccc2c1O[C@H](c1cccc(-c3cnccn3)c1)CC2=O 587488327 IVEAVMZWGDXFEC-NRFANRHFSA-N 360.413 4.508 0 1 FJAF CC(C)(C)OC(=O)C1CCC2(CC1)CC(=O)c1ccc3c(c1O2)CCCC3 587520502 DEGMZZIYOMZQNI-UHFFFAOYSA-N 370.489 4.801 0 1 FJAF CSCc1ccc([C@@H]2Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)o1 587613011 MEPWRRKZZVMSJA-XLIONFOSSA-N 368.410 4.551 0 1 FJAF O=C(O)CCc1c(-c2ccc(Cl)cn2)[nH]c2cc(Cl)c(F)cc12 587629135 VZCNKSAEYSSTSL-UHFFFAOYSA-N 353.180 4.693 0 1 FJAF Cc1cc(Br)cc2nc(COC/C=C\c3ccccc3)[nH]c12 587780763 HTJTZHOQUCZQMP-YVMONPNESA-N 357.251 4.864 0 1 FJAF O=C(Nc1ccc(Br)cc1)n1nc2cc1Oc1ccc(F)cc1-2 587872150 IJRCYYKEBHNSJQ-UHFFFAOYSA-N 374.169 4.638 0 1 FJAF CC(C)COc1cccc(C(=O)n2nc3cc2Oc2ccc(F)cc2-3)c1 587873811 NSMYQJNZWMHRIO-UHFFFAOYSA-N 352.365 4.518 0 1 FJAF Cc1cc2c(cc1F)[C@@]1(C=C(c3ccccc3)Oc3ccccc31)NCC2 962295435 DRSYFJVYQLZGIQ-DEOSSOPVSA-N 357.428 4.957 0 1 FJAF CC(C)[C@H](C)NC(=O)c1c(-c2ccccc2F)noc1-c1ccccc1 775294 MLEFMRWRELWTDU-AWEZNQCLSA-N 352.409 4.922 0 1 FJAF CN(CCCCCNc1ccc(-c2ccccc2)nn1)Cc1ccccc1 13794313 SQNCNIUGPOSVQF-UHFFFAOYSA-N 360.505 4.858 0 1 FJAF COc1oc(CCCCCCCCC[C@H](C)OC(C)=O)c(C)c(=O)c1C 14676583 BFZPIPVRMUCSCX-HNNXBMFYSA-N 366.498 4.880 0 1 FJAF biogenic C[C@@H](c1ccccc1)N1CCC(NC(=O)c2cccc3ccccc23)CC1 28707233 ZNKBVXRAPNKVHW-SFHVURJKSA-N 358.485 4.795 0 1 FJAF in-vivo COc1ccccc1-c1nc(Nc2ccc3[nH]ncc3c2)c2ccccc2n1 34337658 LMTGFWVBQMUNCG-UHFFFAOYSA-N 367.412 4.925 0 1 FJAF Clc1ccccc1[C@@H](c1ccc(CN2CCCC2)cc1)n1ccnc1 35246365 ILDAQFSGRWENKY-OAQYLSRUSA-N 351.881 4.770 0 1 FJAF CC(C)=CCC/C(C)=C/CC[C@@]1(C)Oc2ccc(C(=O)O)cc2C[C@H]1O 38543467 KSXMPLFGEDQAEG-BCVDLSEWSA-N 358.478 4.912 0 1 FJAF biogenic,in-vitro CC(C)=CCOc1ccc(/C=C/C(=O)NCCc2c[nH]c3ccccc23)cc1 40897579 OYZLSDSQSGHYJT-FMIVXFBMSA-N 374.484 4.885 0 1 FJAF O=C(O)c1[nH]c(-c2c[nH]c3ccccc23)cc1-c1c(O)[nH]c2ccccc12 85598727 YNGCGCMGWQFYIK-UHFFFAOYSA-N 357.369 4.715 0 1 FJAF biogenic,in-vitro CC(=O)O[C@@H]1C[C@H](C)[C@](C)(CCC2=CC(=O)OC2)[C@H]2CCC=C(C)[C@]12C 85841641 LECAKRZOTZHHCK-SCAVEHSPSA-N 360.494 4.590 0 1 FJAF biogenic O=C1NC(=O)/C(=C/c2ccc(OCCCc3ccccc3)c(Cl)c2)S1 96282281 LESPYGVLVDGDPF-ATVHPVEESA-N 373.861 4.676 0 1 FJAF Cc1ccc([C@@H]2C[C@H]3CC[C@H]([C@H]2c2nc(-c4ccccc4)no2)N3C)cc1 100773714 WYJIEKRDCVWTRP-MHTWAQMVSA-N 359.473 4.779 0 1 FJAF COc1ccc2c(c1)C(=O)[C@]1(CCCCN1CCc1ccccc1C)CC2 140513497 LJLFTHYVLKKHHP-DEOSSOPVSA-N 363.501 4.600 0 1 FJAF COc1cc(C)c(-c2csc(NC(=O)c3ccnc(Cl)c3)n2)c(C)c1 169343837 LGSSMSZYUFNSSA-UHFFFAOYSA-N 373.865 4.736 0 1 FJAF O=C(Nc1ccc(CC(F)(F)F)cc1)c1cccc(-c2cncnc2)c1 205947622 RNTIFFNTFJRKCE-UHFFFAOYSA-N 357.335 4.501 0 1 FJAF COc1cc(/C=C\c2nc3cncc(Cl)c3[nH]2)ccc1Br 586975744 FIXKWYJAFJSIOL-HYXAFXHYSA-N 364.630 4.553 0 1 FJAF Cc1sc2c(c1C)C(=O)N/C(=C/S[C@@H](C)c1nc3ccccc3[nH]1)N2 587030428 DVPUKNVZHPBXMV-KSSSLANASA-N 370.503 4.690 0 1 FJAF COC(=O)c1cc(Cl)c2[nH]c(-c3cccc(F)c3C(F)(F)F)nc2c1 587098600 UVQFIBLKJAWRIQ-UHFFFAOYSA-N 372.705 4.828 0 1 FJAF O=C1c2ccccc2-c2c3c(nc4cccc1c24)[C@H](c1cncnc1)CCC3 587105505 BNPZJVMBEHJEHP-HNNXBMFYSA-N 363.420 4.704 0 1 FJAF C[C@H](Oc1ccc(F)c(F)c1)c1nc2ccc(OC(F)(F)F)cc2[nH]1 587151608 SWNQCFKKOLSSEY-QMMMGPOBSA-N 358.266 4.880 0 1 FJAF COc1cncc2nc(/C(=C/c3ccc(F)cc3)c3cccs3)[nH]c12 587164487 SDPFMTYFEUUKAY-NTEUORMPSA-N 351.406 4.756 0 1 FJAF COc1ccc(NC(C)(C)c2nc3cccc(Br)c3[nH]2)cc1 587200814 ADONYXQMSKERQK-UHFFFAOYSA-N 360.255 4.681 0 1 FJAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1cc(Cl)c3ccccc3c1O)O2 587380856 XKNSPASEUDHSFM-SFHVURJKSA-N 353.805 4.796 0 1 FJAF CCCC[C@]1([C@@H]2CCOC(C)(C)C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587455931 RAGPZELKLDIERO-ZDPZECHZSA-N 358.478 4.577 0 1 FJAF O=C1C[C@H](c2cnn(Cc3ccccc3)c2)Oc2c1ccc1c2CCCC1 587516900 GCLBITIODZKOCY-JOCHJYFZSA-N 358.441 4.517 0 1 FJAF CCn1c(C)cc([C@@H]2Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)c1C 587580049 WWHNPLGOQFHPPF-UGKGYDQZSA-N 363.413 4.533 0 1 FJAF CCOc1ccc(OCC)c(-c2nc3c(F)c(F)c(F)c(F)c3[nH]2)c1 587779008 WNEURICOAIXYAH-UHFFFAOYSA-N 354.303 4.584 0 1 FJAF ClC1=CC=CC=C[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962648775 YHTJQBZOTPYJKE-ZJSXRUAMSA-N 374.915 4.878 0 1 FJAF Cc1cc(-c2nc(-c3cccc(Cl)c3)n3c2CCO[C@H](C)C3)cc(C)n1 1772570406 HBYHTSFUKFIGEQ-OAHLLOKOSA-N 367.880 4.844 0 1 FJAF Cc1cc(OCCCn2ccc3ccc(OCCO)cc32)cc(C)c1Cl 1772643120 ATTXTKISYJQJRJ-UHFFFAOYSA-N 373.880 4.752 0 1 FJAF CN(C/C=C/c1ccc(F)cc1C(F)(F)F)Cc1ccc2c(c1)OCO2 1857536361 SNGNEJSZIKADBS-NSCUHMNNSA-N 367.342 4.718 0 1 FJAF COc1cccc(Nc2ncc3c(n2)-c2ccc(OC)cc2SC3)c1 1857767598 FUBNUBRUBXFJBO-UHFFFAOYSA-N 351.431 4.510 0 1 FJAF COC(=O)C1=CCC[C@@H]2[C@](OC)(CC[C@@H](C)[C@]2(C)CCc2ccoc2)C1 2356430171 HTOGWGIDXDORHJ-XEHJXZTKSA-N 360.494 4.933 0 1 FJAF COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@@H](OC(C)=O)C(C(C)C)=CC3=CC[C@@H]12 2356549869 KTQALDLKCGBREQ-SDHKCTLJSA-N 374.521 4.836 0 1 FJAF O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1 12308383 BMXFXPBMISVUEZ-GOSISDBHSA-N 364.876 4.983 0 3 FJAF O[C@H](c1cccnc1)c1nc(/C=C/c2ccc(C(F)(F)F)cc2)cs1 61904872 GJKMLDAVZMSFQP-CDVVCGDMSA-N 362.376 4.809 0 3 FJAF