smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260735289 GKTQVYQFMCFTDG-IRXDYDNUSA-N 368.550 4.674 10 40 FJCB CC[C@@H](C)Oc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1OC 33911206 BZPIIMAQZFEFFD-WBFOAEISSA-N 364.445 4.679 10 40 FJCB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccccc2O)cc1 6211770 WIIIZJHLBMRXNK-NZQKXSOJSA-N 356.425 4.943 10 40 FJCB COc1ccccc1/C=C1/SC(Nc2ccc3ccccc3c2)=NC1=O 7276402 IILUDAIYJIFEBA-CPNJWEJPSA-N 360.438 4.931 10 40 FJCB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C 32809676 OQOMZQIYYBECTE-SFHVURJKSA-N 365.502 4.700 10 40 FJCB COc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225763339 NFOVHPHVBYZIIK-INIZCTEOSA-N 353.466 4.568 10 40 FJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@@H]1/N=N/c1ccccc1 100517519 ZYUVFIVPSIFNJP-BFQBXFRASA-N 361.430 4.685 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409174834 PHLXDDUDPABGMT-VFVRVIDISA-N 370.792 4.773 10 40 FJCB Cc1ccccc1N/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 4108557 REIABDNLDJOZIK-IQGJIOQQSA-N 354.500 4.870 10 40 FJCB Oc1ccccc1C1=NN(c2ccccc2)[C@H](c2ccc3c(c2)OCCO3)C1 4746133 LURHSNZEJYZOCZ-FQEVSTJZSA-N 372.424 4.519 10 40 FJCB CSc1ccc(C[C@H]2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 8372400 FJUVFBZDOHAWOP-QGZVFWFLSA-N 373.568 4.689 10 40 FJCB Cc1ccc(N/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 8491805 HCALOYPQEVZYPN-LTGZKZEYSA-N 353.425 4.742 10 40 FJCB Cc1ncsc1C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48360816 JGHARIMGJBIMDT-HXUWFJFHSA-N 374.465 4.830 10 40 FJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)SC1=S 409378161 MXIRSRYAWCHWTL-WQRHYEAKSA-N 370.543 4.932 10 40 FJCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cccc(C(F)(F)F)c1 1746401 YDOUOIURNQPMSS-QPEQYQDCSA-N 366.389 4.506 10 40 FJCB CC1=CN2C(=N)/C(=C/c3ccc(SC4CCCCC4)o3)C(=O)N=C2S1 20239102 XIEFTECUBNXFFC-RBCZPYDQSA-N 373.503 4.871 10 40 FJCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 58850428 CZWVHBBVIDVNMY-UHFFFAOYSA-N 360.866 4.548 10 40 FJCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1cc(Cl)cc(Cl)c1 1294045 GNVYCTGXOVCTSI-PQMHYQBVSA-N 367.282 4.794 10 40 FJCB CCCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 2194550 MIVJKANGYINLIU-UHFFFAOYSA-N 370.474 4.974 10 40 FJCB CCc1nc2ccccc2c(=O)n1N/[N+](=N/c1ccccc1)c1ccccc1 38189479 VKKQUOREYFVBQS-UHFFFAOYSA-N 370.436 4.546 10 40 FJCB CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 5011709 ZHDWDPIPLUXLRX-VDGAXYAQSA-N 365.433 4.547 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@@H]21 20756335 VQDHHVBSHKCWAL-GPMSIDNRSA-N 351.362 4.638 10 40 FJCB Cc1c(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cccc1[N+](=O)[O-] 96997711 CQAAIVSREMOHRE-UHFFFAOYSA-N 367.380 4.702 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/C=C1\N(C)c2ccccc2C1(C)C 829022 VANSFRDHZRBRTF-PYBTYBIFSA-N 357.457 4.647 10 40 FJCB COc1ccccc1CNc1ccc2c(c1)ncn2-c1ccccc1OC 1097764 CITVAIAZDOSXLX-UHFFFAOYSA-N 359.429 4.655 10 40 FJCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1cccc(C(F)(F)F)c1 8642943 ZMJSCJNKSCQWHX-UKTHLTGXSA-N 366.389 4.506 10 40 FJCB CN1c2ccccc2N(C)c2cc(C3C(=O)c4ccccc4C3=O)ccc21 103540474 QRCXDHMIZZCJFK-UHFFFAOYSA-N 354.409 4.699 10 40 FJCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 409305676 OGVZDZISBVDXRD-QADYKLBTSA-N 357.413 4.722 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@@H]1CC=C[C@H]21 2134446 GHNIMUHUJRZICV-XWCIJXRUSA-N 370.246 4.974 10 40 FJCB O=C1N=C(Nc2ccc(Cl)cc2)S/C1=C\c1cc(Cl)ccc1O 110433447 IFTXEVIAEVTAKX-ZSOIEALJSA-N 365.241 4.781 10 40 FJCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2)c1 408752505 AZUXDKADILMUKU-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB Cc1ccc(C)c(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225693687 IKMWDAWYQMNBLC-QGZVFWFLSA-N 353.535 4.951 10 40 FJCB CC(C)Oc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408973071 RSKJFRHWLUPMLZ-ATVHPVEESA-N 374.362 4.822 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1C 1416358 KVPYREZBHCRRMK-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB CC1=CN2C(=N)/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 13513717 XQAJDMAHHWABDG-CLFJUMGRSA-N 369.833 4.767 10 40 FJCB O=c1c(-c2ccccc2Cl)coc2c(CN3CCCCC3)c(O)ccc12 19791565 JANOYIURUBBYQI-UHFFFAOYSA-N 369.848 4.805 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3Cl)cc2)C1 260892888 FGBAGFFJKHACIJ-DLBZAZTESA-N 370.924 4.996 10 40 FJCB Cc1ccc2ccc([C@H](Nc3ccccn3)c3ccccc3O)c(O)c2n1 5813059 UWUPJGVNWGNXAG-OAQYLSRUSA-N 357.413 4.551 10 40 FJCB C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 8345269 SGNKRLMXTUFIHW-LJQANCHMSA-N 360.505 4.713 10 40 FJCB CCCCCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)SC1=S 2666889 BDGWCBAPHJOVPY-VBKFSLOCSA-N 365.520 4.572 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)c(C)c1 5899216 USCSPFPOBMNGIY-YBFXNURJSA-N 361.470 4.878 10 40 FJCB Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@@H]2c2ccccc2)cc1 13123126 YTLMWXIAVDJGFX-OAQYLSRUSA-N 356.425 4.692 10 40 FJCB COc1ccc([C@H]2C[C@H](c3ccccc3O)Nc3nc4ccccc4n32)cc1 72332974 ZKFDBWDVBPKZCT-TZIWHRDSSA-N 371.440 4.897 10 40 FJCB CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCCC[C@@H]2CC)c1O 943873 RNHXDLGXQCNNDE-INIZCTEOSA-N 365.473 4.979 10 40 FJCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1cccc(F)c1 1024268 NYJPOVUMCARPBM-LZYBPNLTSA-N 354.431 4.713 10 40 FJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140471 FMQCSUOOUCKXTD-XFQAVAEZSA-N 364.401 4.633 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@H]1c1ccccc1O 11692708 QMNSHSMCIZMPKS-FQEVSTJZSA-N 366.461 4.515 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1 13389496 LSEUQOBRAOITCE-CLCXKQKWSA-N 369.848 4.962 10 40 FJCB O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1C1CCCCC1 113831244 DEYIBCLDPKKBBB-YUDPATCQSA-N 374.487 4.685 10 40 FJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(O)c(C(=O)O)c1 197784800 ISVLWGZHCYAJID-UHFFFAOYSA-N 372.218 4.619 10 40 FJCB COc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260802865 NTYIYEDIZRDKKB-IRXDYDNUSA-N 367.493 4.814 10 40 FJCB O=C1S[C@H](Nc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 12112973 ADFMLDYMWMWPPL-KRWDZBQOSA-N 352.390 4.617 10 40 FJCB CCc1ccc(O[C@@H](CC)C(=O)NCc2ccc(N(CC)CC)cc2)cc1 225108758 SPRIRXHDHLFQCX-QFIPXVFZSA-N 368.521 4.569 10 40 FJCB CN(C)c1ccc(/C=C2\C(=O)Nc3ccccc3N=C2c2ccccc2)cc1 12414019 IPRHIGQOMKLURL-SILNSSARSA-N 367.452 4.909 10 40 FJCB Cc1cc(CO)c(C)n1-c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1 34772784 KBTKOELABJZOAX-UHFFFAOYSA-N 354.431 4.646 10 40 FJCB Cc1ccc(/C=C2/C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)o1 1012741 YELVULRCWNABRI-MDWZMJQESA-N 354.715 4.590 10 40 FJCB Cc1cccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)n1 1417222 MLABGDVAJDVBSE-VGOFMYFVSA-N 364.854 4.588 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N(c2cc(C)ccc2C)C1=O 35038903 MQIYEKFYDLWSJA-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB COc1ccc(/N=N/c2sc(=N)[nH]c2-c2cccc([N+](=O)[O-])c2)cc1 104133999 IFBVSSBJUXEUQA-FMQUCBEESA-N 355.379 4.555 10 40 FJCB O=C(CCc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 225305601 VBKSAWUHROOILW-UHFFFAOYSA-N 356.897 4.579 10 40 FJCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(F)c3)C2=O)c1 409339549 WBBQZQIOJHUYAZ-MHWRWJLKSA-N 359.447 4.630 10 40 FJCB C[C@H](NC(=O)CCc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 218172276 ZDXHKCPMWGGKNP-MOPGFXCFSA-N 350.506 4.733 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccccc1 408848769 YIHZEKBYXDQCMK-CAPFRKAQSA-N 354.409 4.530 10 40 FJCB CCOc1c(/N=N/c2ccccc2C)c(-c2ccccc2)nn1C(N)=S 17140006 DKERSKIRSIGFJF-QURGRASLSA-N 365.462 4.764 10 40 FJCB C#CCn1cc(/C=C2/SC(Nc3ccc(C)cc3)=NC2=O)c2ccccc21 106379416 YZEJIVGHKIFZMN-DEDYPNTBSA-N 371.465 4.665 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)C1 260770334 RWTOMQYLITXHSN-ZWKOTPCHSA-N 368.496 4.872 10 40 FJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccc(F)cc2)SC1=S 4545607 MVPHLROKPMZXNQ-IEMQHYRPSA-N 358.463 4.701 10 40 FJCB Brc1ccc2nc(-c3ccccn3)c(Nc3ccccc3)n2c1 4597434 KZRRAAMICZXXTR-UHFFFAOYSA-N 365.234 4.902 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1cccc(C)c1 95116589 ZYXXBDNGLMKDRQ-HXUWFJFHSA-N 350.462 4.815 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3F)cc2)C1 225690169 CITBGIFYTPLOBI-OAHLLOKOSA-N 357.498 4.549 10 40 FJCB CCOc1ccc(NC2=NC(=O)/C(=C/C=C/c3ccccc3)S2)cc1 1469853 MAFGPPRZRYXBES-CVCOPPNTSA-N 350.443 4.724 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c(C)c1 2442046 ZQWWVYDFDUSETM-YBEGLDIGSA-N 365.483 4.586 10 40 FJCB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3ccc(Cl)cc3)c2n1 3849084 CJRQZEPTTGXHTH-QURGRASLSA-N 354.723 4.708 10 40 FJCB COc1ccc(N2C(=O)/C(=C/c3ccc(SC)cc3)SC2=S)cc1 5171739 BQXJCEGVQHHEGQ-WJDWOHSUSA-N 373.524 4.823 10 40 FJCB O=C(COc1ccc2ccccc2c1)NCc1ccc(N2CCCCC2)cc1 222834955 PPIOILWLGBIQIC-UHFFFAOYSA-N 374.484 4.525 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@@H]21 409160244 WKVRVLSRPMWXTK-BWACUDIHSA-N 370.792 4.773 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccc(C)cn2)c1C 408961231 LMNBRBUBHUJIBW-BKUYFWCQSA-N 370.456 4.604 10 40 FJCB Brc1ccc(-c2nc(-c3ccc(-n4cccc4)cc3)no2)o1 1421782 LCJCVZMHHVGMNU-UHFFFAOYSA-N 356.179 4.550 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219276444 NKZXSDJFVYRYDV-UYAOXDASSA-N 364.533 4.960 10 40 FJCB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 224555033 NDCFMFXDFHDUEM-QFIPXVFZSA-N 368.521 4.623 10 40 FJCB CCOC(=O)c1sc2nc3c(c(-c4ccc(Cl)cc4)c2c1N)CCC3 2924991 NXMFJFPXIMTJHT-UHFFFAOYSA-N 372.877 4.864 10 40 FJCB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 219489122 LDADFTIKYLGNJU-CEXWTWQISA-N 366.505 4.568 10 40 FJCB O=C(O)c1ccc(N[C@@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 8579402 PSCFZETTYRDCRM-FQEVSTJZSA-N 370.408 4.840 10 40 FJCB in-vitro O=C1/C(=C/c2cccc3cccnc23)SC(=S)N1Cc1ccccc1 9419084 VRDRIZXKNXXYMS-ATVHPVEESA-N 362.479 4.636 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N(c2ccc(C)cc2C)C1=O 17025771 XKNHYMUTXCTNRO-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB CCN(CC)c1ccc(CNC(=O)COc2cc(C)ccc2C(C)C)cc1 224621167 HGWUVQCAMFOUAU-UHFFFAOYSA-N 368.521 4.660 10 40 FJCB O=C(O)c1ccc(N[C@H](c2ccccc2)c2ccc3cccnc3c2O)cc1 1587766 PSCFZETTYRDCRM-HXUWFJFHSA-N 370.408 4.840 10 40 FJCB in-vitro Cc1nc(Nc2ccc(Cl)cc2C(=O)c2ccccc2)sc1C(=O)O 20156581 OLMLPQWRHIERKT-UHFFFAOYSA-N 372.833 4.778 10 40 FJCB CC(=O)N1C(=O)c2cccc3c(/N=N/c4ccc(N(C)C)cc4)ccc1c23 100988311 QQHRLZUFVYVYEW-GHVJWSGMSA-N 358.401 4.828 10 40 FJCB CN1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S 409212929 RUSMZPKPEPXUTN-JYRVWZFOSA-N 369.389 4.796 10 40 FJCB COc1ccc(N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 13517372 OTTKSYWMZPYUPP-BDKUJZOCSA-N 353.468 4.657 10 40 FJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1ccc(C)cc1 409065205 FBAXWHAFGARGMQ-HKWRFOASSA-N 365.473 4.558 10 40 FJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(F)c1 1844608 ZFGAKCRNSMVMTH-RIYZIHGNSA-N 366.339 4.927 10 40 FJCB CCCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OCC 20244038 BIWSKIBFAGWWER-XMHGGMMESA-N 364.445 4.680 10 40 FJCB CCN(CC)c1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408556361 JYISTVGLSNJATN-IBGZPJMESA-N 360.910 4.965 10 40 FJCB Cc1ccnc(N[C@@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 1463223 DNFFYAHWCDVOJP-FQEVSTJZSA-N 359.404 4.984 10 40 FJCB CCN(C(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O)c1ccccc1 4372993 UKGDVLLTPPGWKB-UHFFFAOYSA-N 370.408 4.520 10 40 FJCB Cc1oc2c(CN3CCCCCC3)c(O)ccc2c(=O)c1-c1ccccc1 20647590 QCQZDCOXLVAICE-UHFFFAOYSA-N 363.457 4.850 10 40 FJCB biogenic COc1ccc(C)cc1N[C@H](c1cccnc1)c1ccc2cccnc2c1O 96287663 SFQGSZZZDJTPRA-OAQYLSRUSA-N 371.440 4.854 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc(Cl)cc1 208538289 PRJSRJOEHAXAIF-XSFVSMFZSA-N 361.832 4.937 10 40 FJCB Cc1cccc(-n2c(C)cc(C(=O)C(=O)Nc3ccc(Cl)cc3)c2C)c1 6780978 RIDKABKLUVUOJE-UHFFFAOYSA-N 366.848 4.877 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)c1 408762837 LJZYOLZYPLQZOR-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409175815 VFEFVOILOYCASW-KEYYUXOJSA-N 371.780 4.983 10 40 FJCB CCCN(CCC)c1ccc([C@H]2NC(=O)c3c(sc(C)c3C)N2)cc1 1901637 DYBGMHYITNVQPC-SFHVURJKSA-N 357.523 4.845 10 40 FJCB Cc1ccnc(N[C@@H](c2cccc(F)c2)c2ccc3cccnc3c2O)c1 4414017 OTFQEKBHSZDRLM-FQEVSTJZSA-N 359.404 4.984 10 40 FJCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72216859 MICOFGVKDDVPDL-OAQYLSRUSA-N 359.473 4.857 10 40 FJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C 408820311 VJVPKHBEUOGCRG-PXNMLYILSA-N 360.866 4.722 10 40 FJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/SC(=S)NC3=O)cc21 223482126 NLDSLXHUVPQFRT-CXUHLZMHSA-N 358.532 4.586 10 40 FJCB Cc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c(C)n1C(C)(C)C 409116924 MPOCODIZNIGXKY-LICLKQGHSA-N 371.868 4.611 10 40 FJCB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409237458 UPGSOLRFCDOLFE-QCUKBLKESA-N 374.506 4.520 10 40 FJCB O=C1/C(=C/c2cccs2)SC(=S)N1c1ccc(F)c(Cl)c1 2262954 XMHPSIYKCRMGQQ-GHXNOFRVSA-N 355.868 4.946 10 40 FJCB CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)c1 3634699 GMNIWFGCTJVMPQ-UHFFFAOYSA-N 351.377 4.503 10 40 FJCB Cc1cc(C)cc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3C)c2C)c1 6780922 FCSGKYYLWIDEJA-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB Cc1c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc2n1C 33441615 KQJCZSBJACLFDI-PDGQHHTCSA-N 364.495 4.893 10 40 FJCB Oc1c([C@@H](c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12 21673417 UUKXQRCKOJRJOL-IBGZPJMESA-N 353.853 4.564 10 40 FJCB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1c1ccc(F)cc1 54360782 AGJDPJQEWSXDRS-YVLHZVERSA-N 369.442 4.550 10 40 FJCB Oc1ccc(Br)cc1[C@H]1CC(c2ccc3ccccc3c2)=NN1 72332567 DGVCIIIXKXNJCH-GOSISDBHSA-N 367.246 4.747 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)c(F)c1 112116513 SCHMLOBYYTWVJD-YVLHZVERSA-N 361.779 4.727 10 40 FJCB COc1cccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)c1 408723564 WNMFYIBQDJBHCO-GRSHGNNSSA-N 358.393 4.838 10 40 FJCB CCCCOC(=O)[C@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778870 YQDLVHCOSDSRDD-HNNXBMFYSA-N 366.413 4.571 10 40 FJCB Cc1ccc(/N=N/c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(C)c1 4804154 LECLGLNXZIZWEF-FMQUCBEESA-N 356.403 4.824 10 40 FJCB CCc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 20033465 FAXRCUZTAIRCDA-HZUJVAHNSA-N 350.418 4.992 10 40 FJCB Clc1ccc2c(c1)/C(=C/CCN1CCNCC1)c1ccccc1S2 33954902 SLTQOJGWYUTULB-FZSIALSZSA-N 356.922 4.532 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/NN(c1ccccc1)c1ccccc1 100557167 OHYAETSHXPNCET-OQKWZONESA-N 368.440 4.636 10 40 FJCB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N(CC)CC)cc1 225274147 KXEFAILIWKWXHU-OAQYLSRUSA-N 368.521 4.623 10 40 FJCB Cc1nn2c(nc(N[C@H](C)c3ccccc3O)c3ccccc32)c1Cl 12907366 LSOQAXMYHYBHEZ-LLVKDONJSA-N 352.825 4.723 10 40 FJCB COc1cccc([C@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 2497703 UBJAGHISPIQEDY-NRFANRHFSA-N 371.440 4.854 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(OC)cc3)C2=O)cc1 33313656 LCBFQVNAHOJNIE-ATVHPVEESA-N 355.484 4.663 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@@H]21 101123364 CUIOJCKYAHLGCJ-KEYYUXOJSA-N 370.246 4.974 10 40 FJCB Fc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1Cl 225424129 AVIITGXVQYIGKR-UHFFFAOYSA-N 363.889 4.566 10 40 FJCB C[C@@H](NC(=S)Nc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 225663797 JMHYQZKURAMFPX-OAHLLOKOSA-N 357.498 4.864 10 40 FJCB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 408991685 OWLUWEVYDNRUTJ-CHHVJCJISA-N 362.907 4.545 10 40 FJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccccc1Cl 408995383 CAGNZVZUESJVPN-ATVHPVEESA-N 367.832 4.526 10 40 FJCB O=C(CNC(=O)Oc1ccccc1)Nc1ccc(/N=N/c2ccccc2)cc1 409002509 OAVWFIOKDLOFFY-OCOZRVBESA-N 374.400 4.829 10 40 FJCB CCCCC(=O)N[C@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 2488163 SVSGMAXSFDIDCX-KRWDZBQOSA-N 358.825 4.583 10 40 FJCB C[C@@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 225440092 OIDBEAGIRPTXGN-MRXNPFEDSA-N 356.897 4.750 10 40 FJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C\C=C\c1ccco1 13805098 LJBMATZVRSHXRM-NTOUICHMSA-N 364.348 4.937 10 40 FJCB Cc1cc(C(=O)Nc2nc(C3CC3)cs2)c(C)n1-c1ccccc1F 95369443 ODWXAFUWABIMIF-UHFFFAOYSA-N 355.438 4.819 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 169313243 VXYQVSHWFNVJAE-CPUCHLNUSA-N 370.246 4.974 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)C1=O 409069016 UFLGMSDGNWKJOU-GZTJUZNOSA-N 354.475 4.767 10 40 FJCB CCOc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 947309 YKIYGNLLHIJAIA-JOCHJYFZSA-N 371.440 4.936 10 40 FJCB CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccccc2)c1C 2680301 RKPMIJADWOWYBV-UHFFFAOYSA-N 360.548 4.637 10 40 FJCB Cc1cc(C(=O)N2CCC[C@]2(C)CCCO)c(C)n1-c1cccc(Cl)c1 95983126 YCRSUYGHHAPFCY-OAQYLSRUSA-N 374.912 4.515 10 40 FJCB COc1ccc(C2=C/C(=C\c3ccc(OCC(C)C)cc3)C(=O)O2)cc1 408744759 ZUVHKNCLIJKYBA-LDADJPATSA-N 350.414 4.711 10 40 FJCB CCOc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3)C2=O)c1 409348479 SWAJFAGBIYSSID-SFQUDFHCSA-N 355.484 4.800 10 40 FJCB CCOC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3 756802 LEJYCSZKQZGTDD-UHFFFAOYSA-N 356.447 4.502 10 40 FJCB Cc1ccccc1N1CCN(C(=S)c2ccc(-c3ccccc3)o2)CC1 1471371 COTRQNJQGBHNIG-UHFFFAOYSA-N 362.498 4.753 10 40 FJCB C[C@H](c1ccccc1O)N(C)C(=O)CCCc1ncc(-c2ccccc2)o1 84660774 KVNNQLUFJZVQOH-MRXNPFEDSA-N 364.445 4.590 10 40 FJCB CCCCCN/C(C)=C1\C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 112117373 QOCSDXSKYQHBMX-SILNSSARSA-N 365.452 4.630 10 40 FJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1cccc2ccccc12 408731361 LZRGCBODWASJDO-MOSHPQCFSA-N 363.457 4.559 10 40 FJCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1CCc1ccccc1 2423735 SYYHAHNLKKCVGB-PDGQHHTCSA-N 364.495 4.612 10 40 FJCB CCCCCC1=NN2C(=N)/C(=C\c3ccc(Cl)cc3)C(=O)N=C2S1 4545594 JFQAZVZSUXRDLD-UTNUYKLDSA-N 360.870 4.539 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)C1 225310986 XZLWSHNQACPJMJ-AWEZNQCLSA-N 360.860 4.645 10 40 FJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c1C 5375070 YINFRSFXKADIFN-YVLHZVERSA-N 353.468 4.522 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CSCc2cc(C)cc(C)c2)cc1 225617227 ZGTAABBECMBUAX-UHFFFAOYSA-N 370.562 4.699 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2)cc1 2306131 STIPUWKDOKNMAG-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccccc3O)C2=O)cc1 5174115 KTJSJVDVUPBOAD-XDJHFCHBSA-N 369.420 4.872 10 40 FJCB CCOc1ccc(/C=C2\SC(Nc3ccccc3CC)=NC2=O)cc1 5373208 NMKYTVSVEVANLW-AQTBWJFISA-N 352.459 4.730 10 40 FJCB COCCCN1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S 9189302 CRTJVKMRNDCVFU-JXAWBTAJSA-N 369.511 4.591 10 40 FJCB Cc1nc2cc(NC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)ccc2o1 15542195 HKJNIDHQFFZDLT-UHFFFAOYSA-N 363.392 4.935 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 32121306 QGZNUDOKHNMEFY-ZRGWGRIASA-N 351.362 4.638 10 40 FJCB COc1ncnc(Nc2ccc(/N=N/c3ccccc3)cc2)c1[N+](=O)[O-] 4117105 GLYKKBIHPPXNPS-QURGRASLSA-N 350.338 4.552 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccc(Cl)cc1 6780989 UAQWMKZCSHFUNN-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB Cc1cc([C@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(F)cc1 6961683 WNPZKJJWCZVNTI-FQEVSTJZSA-N 351.450 4.930 10 40 FJCB COc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C 16292259 FBUVMOGRXDUJFR-WQRHYEAKSA-N 369.511 4.713 10 40 FJCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(F)c(Cl)c3)C2=O)o1 409183510 UOAYCIBJSUPJCU-NTUHNPAUSA-N 353.827 4.786 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 4839228 WTSFAEPUMZSATC-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 33770557 ZKCWAJGJJRQWLD-OLMMQFJWSA-N 368.437 4.954 10 40 FJCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72216850 XBLYJWNTULQPNT-SFHVURJKSA-N 355.482 4.951 10 40 FJCB CCc1ccc(C[C@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1 8085491 KHLJNGIWEYNZFV-GOSISDBHSA-N 361.576 4.991 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccc(C)cc2)N(c2ccccc2)C1=O 408765214 OMNZJCAAVPVLJN-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB CC1=CN2C(=N)/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C(=O)N=C2S1 4475215 XQAJDMAHHWABDG-ZKSCCFDSSA-N 369.833 4.767 10 40 FJCB O=C1/C(=C\c2cccc(O)c2)SC(=S)N1c1ccc(F)c(Cl)c1 9232317 HDKPRMIQHKDIKC-VGOFMYFVSA-N 365.838 4.591 10 40 FJCB CCOC(=O)CCCCCN1C(=O)S/C(=C/c2ccccc2)C1=S 5010056 JUCIGWBOPRIQSL-FYWRMAATSA-N 363.504 4.647 10 40 FJCB Cc1ccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1 10113080 KVAWJNVLUSBHGG-UHFFFAOYSA-N 368.546 4.535 10 40 FJCB CCN(CC)c1ccc(CNC(=O)c2cc3ccccc3cc2OC)cc1 223329692 RPOUWZYHAOBYRJ-UHFFFAOYSA-N 362.473 4.625 10 40 FJCB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1F 1018401 QSSNOZMHJWDADJ-YVLHZVERSA-N 358.438 4.678 10 40 FJCB CCOc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4140462 MGMWGGWTLFZCCQ-AVYPCKFXSA-N 366.417 4.829 10 40 FJCB O=C1N=C(N2CCCCCC2)S/C1=C/c1ccc(Cl)cc1Cl 13633482 DHQRDEZELJCRSB-NTEUORMPSA-N 355.290 4.840 10 40 FJCB Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1 13776369 NHZJRACGGVBOLR-UHFFFAOYSA-N 364.879 4.573 10 40 FJCB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@@H](c2ccc(O)c(O)c2)S1 72404975 OSJFSHJYGQSNMA-LJQANCHMSA-N 365.458 4.537 10 40 FJCB Cc1ccnc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)c1 2470589 ONEBJPDLVVOZFG-HXUWFJFHSA-N 356.429 4.549 10 40 FJCB O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)ccc1Cl 6971463 RVJDIPOXYUUUKW-JKDFXYPNSA-N 371.780 4.983 10 40 FJCB O=C(CCc1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1 62225455 NYHWSEYIBKCSME-UHFFFAOYSA-N 356.897 4.579 10 40 FJCB CC(C)N1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O 208219874 AIKGYCGPXWPDNK-OMJMQIJPSA-N 358.507 4.853 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 225477808 VVYDUKYWBJZKKJ-AEFFLSMTSA-N 366.505 4.731 10 40 FJCB Cc1ccccc1NCc1cc(Br)cc(Br)c1O 409128416 FLSBOLOJWGPBAM-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB CC(C)Oc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 206955427 WQFBNMFNZFYRQS-SFQUDFHCSA-N 355.484 4.880 10 40 FJCB CCCCCCN1C(=O)/C(=C/c2c[nH]nc2-c2ccccc2)SC1=S 4994162 GEMOAMFASTVPGD-VBKFSLOCSA-N 371.531 4.858 10 40 FJCB O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 409179633 TVIMWTZCOFYARY-AVPSHFEDSA-N 369.424 4.660 10 40 FJCB COc1cc(C)c(NC(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1OC 9468367 CUXSRTMNMJVEOO-UHFFFAOYSA-N 364.445 4.672 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)SC2=S)cc1Cl 6672344 RYDQITCIUSIEKV-MDWZMJQESA-N 367.904 4.816 10 40 FJCB O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccc2ccccc2c1 6919747 RKVGLXYSEPDKOU-UHFFFAOYSA-N 372.496 4.826 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 409160703 YXWABZURTSKWJE-VGTOOOLASA-N 370.792 4.773 10 40 FJCB CCCCC(=O)N[C@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 3894239 UAXCAMFEQNFDHG-LJQANCHMSA-N 368.864 4.990 10 40 FJCB biogenic Cc1cccc(NC2=NC(=O)/C(=C/c3cccc(Br)c3)S2)c1 5589527 VNSGQBJWVZHPKC-GDNBJRDFSA-N 373.275 4.840 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2C)cc1 225031486 CEIVAAKSHZGPOI-LJQANCHMSA-N 368.521 4.542 10 40 FJCB CCOc1ccc(/N=N\c2c(C)nn(C(=S)SC)c2OCC)cc1 104241100 UDKFGDOYVITXAG-ZCXUNETKSA-N 364.496 4.900 10 40 FJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(C)C)cc1 408767714 GLSDPQLUENAVCW-UNOMPAQXSA-N 355.478 4.529 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(Sc3ccc(C)cc3)o2)SC1=S 2307303 NCIURJKRCNTPKX-UVTDQMKNSA-N 361.513 4.960 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1 4772736 WWGSYBBEJBCNOV-QNGOZBTKSA-N 356.400 4.969 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\C=C1/N(C)c2ccccc2C1(C)C 12524260 VANSFRDHZRBRTF-DFCWUNANSA-N 357.457 4.647 10 40 FJCB CC(C)c1ccc(-c2c3c(nc4[nH]nc(O)c24)-c2ccccc2C3=O)cc1 18196274 VTUYKRGHCGSPST-UHFFFAOYSA-N 355.397 4.665 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccccc2F)C(=O)N1c1ccccc1 408840133 BIDZQSKWGHFNTO-HMMYKYKNSA-N 372.399 4.669 10 40 FJCB CN(C)c1ccc(/C=C2\CCC(C3=CCCC3)=C2N2CCOCC2)cc1 978150 BHDKASMGUZMRFH-LVZFUZTISA-N 350.506 4.626 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1 5235960 WUPHUPZLXJVVFE-WJDWOHSUSA-N 365.483 4.531 10 40 FJCB Oc1cc2c(cc1[C@H](c1ccc(Cl)cc1Cl)N1CCCC1)OCO2 20732151 RBUDZFBOOYUMQV-SFHVURJKSA-N 366.244 4.613 10 40 FJCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3F)o2)SC1=S 408602433 NRRQKATZXAVXKM-DHDCSXOGSA-N 365.426 4.836 10 40 FJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)nc1 225657360 JTSIKCXQLOIZIU-KRWDZBQOSA-N 368.550 4.674 10 40 FJCB Oc1ccc(-c2cs/c(=N/c3ccccc3)n2Cc2ccccc2)cc1O 106441126 NFRXKUKWIVZYMC-GHVJWSGMSA-N 374.465 4.909 10 40 FJCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccc(Cl)c3C)C2=O)cc1 112118571 HKEBVZNRQNXJDM-UYRXBGFRSA-N 369.852 4.766 10 40 FJCB COc1ccc2cc(C3=C/C(=C/c4ccc(O)c(OC)c4)C(=O)O3)ccc2c1 408723513 WCZFVRORXPIXJQ-NVMNQCDNSA-N 374.392 4.544 10 40 FJCB CCCCOc1ccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)cc1 2115457 GMLXEWJWEOASEO-UHFFFAOYSA-N 365.429 4.637 10 40 FJCB biogenic FC(F)Oc1ccc(NC(=S)NNc2ccc3ccccc3c2)cc1 4883184 NIDVWFHQDAGIOI-UHFFFAOYSA-N 359.401 4.755 10 40 FJCB Cc1noc(C)c1CSCC(=O)c1cc(C)n(-c2ccccc2)c1C 6605352 YDFQFPASHKULAV-UHFFFAOYSA-N 354.475 4.815 10 40 FJCB COc1ccccc1NC1=NC(=O)/C(=C/c2cccc3ccccc23)S1 7276537 GJXRJQLTXXFVEJ-UYRXBGFRSA-N 360.438 4.931 10 40 FJCB CCN1C(=O)/C(=C\c2cccc(OCc3ccc(F)cc3)c2)SC1=S 59418112 HBHWRSYGTBJNHO-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(F)c(N2CCCC2)cc1C 33645213 HGTPRBQIIKIISZ-CPNJWEJPSA-N 363.436 4.540 10 40 FJCB COc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225763422 NTYIYEDIZRDKKB-IAGOWNOFSA-N 367.493 4.814 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)cc1C 2431507 WYUCVUZYIQFVSG-YBEGLDIGSA-N 365.483 4.586 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225791722 XQKPJWNEJNFFDK-OAHLLOKOSA-N 372.896 4.830 10 40 FJCB O=C(c1ccccc1)[C@@]1(c2ccccc2)NN=C(Cc2ccccc2)S1 5515939 RCQYHNBLAIILDM-QFIPXVFZSA-N 358.466 4.615 10 40 FJCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3Cl)N=C2C)cc1OC 6554498 VZAKMLCBNXIIIB-PTNGSMBKSA-N 370.836 4.553 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)cc1 6860255 IFINFDOFMLWCCC-GZTJUZNOSA-N 353.468 4.603 10 40 FJCB Cc1cc(/C=C2/SC(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 5612806 TYLORXZZEMFFKV-GZTJUZNOSA-N 370.543 4.880 10 40 FJCB S=C(NCc1ccccn1)Nc1ccc(CSc2ccccc2)cc1 225329295 NKNAHPYTQVBONS-UHFFFAOYSA-N 365.527 4.861 10 40 FJCB Cc1cccc(OCCn2c(CCC(=O)O)ccc2-c2cccs2)c1C 409378849 SJMNOHPGRHJOQG-UHFFFAOYSA-N 369.486 4.930 10 40 FJCB O=C1/C(=C/c2c(F)cccc2Cl)SC(=S)N1Cc1ccccc1 1140434 SYIAWOTYQLHYDS-DHDCSXOGSA-N 363.866 4.881 10 40 FJCB CCN1C(=O)/C(=C/c2cccc(OCc3ccc(C)cc3)c2)SC1=S 1181576 RWIOLKWLMUYXOZ-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB O=C1CSC([C@@H](/N=N/c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 18101832 HMYOJHODMMXPRD-RTDLDRDPSA-N 369.837 4.713 10 40 FJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112117788 PRTRXFYJCBERRX-ZHZULCJRSA-N 367.424 4.723 10 40 FJCB C[C@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCCC2)cc1 225695492 DZXNLPVIKGPPCL-ZDUSSCGKSA-N 361.461 4.613 10 40 FJCB CCOC(=O)c1c(NCc2cc(Cl)ccc2O)sc2c1CCCC2 975730 GTKGNSBIAYJFIP-UHFFFAOYSA-N 365.882 4.775 10 40 FJCB COc1ccc2cc(C3=C/C(=C/c4ccc5c(c4)OCO5)C(=O)O3)ccc2c1 408722318 HAZUXYFOUQLLNB-LSCVHKIXSA-N 372.376 4.558 10 40 FJCB CCc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1 5372687 JGFSVSNPOIWYFE-XDHOZWIPSA-N 361.470 4.823 10 40 FJCB Cc1cccc(-n2c(C)cc(C(=O)C(=O)Nc3ccc(F)cc3)c2C)c1C 6780952 DCIBTCMZCOZCAU-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB CN1CCc2cc([C@@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 22114886 WTWHIAPDNBPPLX-XMMPIXPASA-N 366.464 4.895 10 40 FJCB Cc1ccc2ccc([C@@H](Nc3ccccn3)c3ccccc3O)c(O)c2n1 5813062 UWUPJGVNWGNXAG-NRFANRHFSA-N 357.413 4.551 10 40 FJCB COc1ccccc1/N=N/C(C(=O)c1ccccc1)C(=O)c1ccccc1 102949174 LLSICZJZRXBVNC-WCWDXBQESA-N 358.397 4.913 10 40 FJCB CCc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225690132 GZPGMDOAHSNVRX-QGZVFWFLSA-N 367.562 4.972 10 40 FJCB Cc1cccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(O)cc2)c1 408760616 BTDVDAIONLHKLU-CPNJWEJPSA-N 360.438 4.597 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 5372248 JDVAKDMNVPPWNT-PDGQHHTCSA-N 367.495 4.857 10 40 FJCB O=C1N=C(NC2CCCC2)S/C1=C\c1ccc(-c2ccc(F)cc2)o1 12542089 UWNUEIRWIMQLNF-BOPFTXTBSA-N 356.422 4.588 10 40 FJCB Cc1ccc(/N=N/c2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1 4804153 MEOMZKXAWZYXEX-FMQUCBEESA-N 356.403 4.824 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccc(OCC)cc1 102881667 FLVUYDXZIIHIOO-XMHGGMMESA-N 367.424 4.723 10 40 FJCB CC(C)Oc1cccc(NC(=S)NCc2ccc(N3CCCC3)cc2)c1 225425294 BTPMJKNABCRONR-UHFFFAOYSA-N 369.534 4.561 10 40 FJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/Nc2ccc(F)cc2)SC1=S 4545608 MVPHLROKPMZXNQ-COOUDCDJSA-N 358.463 4.701 10 40 FJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(F)cc1 16669679 UYVTZEDGWCMKKH-RIYZIHGNSA-N 366.339 4.927 10 40 FJCB COc1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)ccc1C 409328213 QALHUKQOIUACOV-YBEGLDIGSA-N 359.447 4.549 10 40 FJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cccc(Cl)c1Cl 106693020 BANTYNKOGUZEAY-QPEQYQDCSA-N 367.257 4.725 10 40 FJCB CCc1ccc(O[C@H](CC)C(=O)NCc2ccc(N(CC)CC)cc2)cc1 225108792 SPRIRXHDHLFQCX-JOCHJYFZSA-N 368.521 4.569 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 225477843 VVYDUKYWBJZKKJ-SJLPKXTDSA-N 366.505 4.731 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(C)cc3)cc2)SC1=S 1180870 KWJDTPKYTZYBLI-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409157457 JFPQMRIDGYFWAH-QFSBIZTOSA-N 371.780 4.983 10 40 FJCB CCN(CC)c1ccc(/N=N\c2ccc(N(C)C)cc2)c(NC(N)=O)c1 4344376 RXOZZLPHRWXTQU-FCQUAONHSA-N 354.458 4.505 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3ccccc3Cl)cc2)C1 260892892 FGBAGFFJKHACIJ-IRXDYDNUSA-N 370.924 4.996 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 13402427 GZYRFVLGNMMIEK-XNJGSVPQSA-N 370.792 4.773 10 40 FJCB Oc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2)cc1O 19809459 NFRXKUKWIVZYMC-FCQUAONHSA-N 374.465 4.909 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccc(C)cc2)cc1 408999798 SJXBFMMRFMHYDN-RCCKNPSSSA-N 372.424 4.821 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 409167548 JBLREMIJVMSLSV-MBOZVWFJSA-N 364.401 4.516 10 40 FJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 5546891 AIQPZDTUYDJOBU-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB O=C(NCc1nc(C2CC2)no1)Nc1ccc(/N=N/c2ccccc2)cc1 47332900 AGNBLVPUZXKUMY-WCWDXBQESA-N 362.393 4.684 10 40 FJCB O=C1/C(=C/c2ccc3ncccc3c2)SC(=S)N1Cc1ccccc1 51330803 MSEYINHJTBFVQM-PDGQHHTCSA-N 362.479 4.636 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 112115286 BMAQXILZXNWLNJ-UYRXBGFRSA-N 355.388 4.854 10 40 FJCB CCOc1ccccc1NC(=S)NCc1ccc(N2CCCCC2)cc1 225415804 XZVBCJGZGONDOB-UHFFFAOYSA-N 369.534 4.562 10 40 FJCB COc1cccc([C@@H](Nc2ccccn2)c2ccc3ccc(C)nc3c2O)c1 2497697 UBJAGHISPIQEDY-OAQYLSRUSA-N 371.440 4.854 10 40 FJCB CCCn1ccnc1SCC(=O)c1cc(C)n(-c2cccc(F)c2)c1C 12520225 XCBIDUAJCJVKMG-UHFFFAOYSA-N 371.481 4.815 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c2ccccc21 13805283 PPCSMSKQQUVBKQ-BOPFTXTBSA-N 356.516 4.712 10 40 FJCB CCN(CC)Cc1c(O)ccc2cc(-c3ccc(Cl)cc3)c(=O)oc12 1237115 RJKWVOWGEHHHCY-UHFFFAOYSA-N 357.837 4.661 10 40 FJCB biogenic COc1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccccc2)cc1 4729187 NAUVXHOOWFKBAN-PGMHBOJBSA-N 354.409 4.530 10 40 FJCB Cc1csc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1 6654238 WUZQTILMPUABFV-UHFFFAOYSA-N 360.479 4.973 10 40 FJCB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225671706 GKTQVYQFMCFTDG-IAGOWNOFSA-N 368.550 4.674 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(F)cc2)cc1 408763178 RPKACGKOPBKAHF-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB Cc1ccc2c(c1)-c1cc(C)nn1[C@@H](c1cc(Br)ccc1O)N2 627837 DYUWRYKSRFWFCS-SFHVURJKSA-N 370.250 4.607 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(cc(Cl)cc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 6926167 IMLKJBYYGJBCSS-KEYYUXOJSA-N 371.780 4.983 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)c1 33888948 FSBDTSUBJZREMF-AHIWAGSCSA-N 371.780 4.983 10 40 FJCB O=Cc1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 966778 GWPWRRRIBRYRJM-NVNXTCNLSA-N 359.859 4.558 10 40 FJCB CCN(CC)c1ccc([C@@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(O)c1 627829 RYGXXXSQKZWWES-JOCHJYFZSA-N 362.477 4.691 10 40 FJCB CCc1ccc(C[C@@H]2SC(=S)N(CCC3CCCCC3)C2=O)cc1 8085505 KHLJNGIWEYNZFV-SFHVURJKSA-N 361.576 4.991 10 40 FJCB O=C1/C(=C\c2ccc(O)c(Cl)c2)C(c2ccccc2)=NN1c1ccccc1 409092088 SVTVIKSVFVDBKZ-AQTBWJFISA-N 374.827 4.880 10 40 FJCB CCOc1ccc(/C=C2\SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1 5584750 JWOAEXSDACWXOL-PDGQHHTCSA-N 352.459 4.785 10 40 FJCB CN(C)c1ccc([C@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc1 13714273 DWIWEAXWNVCICI-QHCPKHFHSA-N 354.457 4.766 10 40 FJCB Cc1c(C)c2ccc(O)c(CN3C[C@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O 100796754 DOMFEXXCUQKJJT-OYHNWAKOSA-N 355.478 4.516 10 40 FJCB CN(Cc1c(O)ccc2c(-c3ccccc3)cc(=O)oc12)C1CCCCC1 934316 NWYXJTXDLWTYPX-UHFFFAOYSA-N 363.457 4.930 10 40 FJCB biogenic Nc1nn2c(-c3ccccc3)cc(O)nc2c1/N=N/c1ccc(Cl)cc1 3848946 YUCOIYXBCMKNFC-GHVJWSGMSA-N 364.796 4.753 10 40 FJCB Cc1cc(-n2c(C)cc(/C=C3\C(=O)Nc4cc(Cl)ccc43)c2C)no1 8054485 KDMBAHMBBHOFLM-PXNMLYILSA-N 353.809 4.537 10 40 FJCB O=S(=O)(O)c1ccc2c(/N=N/c3ccccc3Cl)c(O)ccc2c1 4804124 VCNCMBFHYUOYJG-VHEBQXMUSA-N 362.794 4.861 10 40 FJCB CC(C)c1ccc(NC(=S)NCCCN2CCc3ccccc32)cc1 225558697 YGSKTACUJHFDMO-UHFFFAOYSA-N 353.535 4.549 10 40 FJCB O=C1c2ccccc2C(=O)[C@@]2(C(c3ccccc3)c3ccccc3)N=NC[C@@H]12 5699000 PHAJJSDXCOLSSX-GBXCKJPGSA-N 366.420 4.719 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c1 34868689 XAEOLKHFMBZAAZ-LDADJPATSA-N 368.527 4.775 10 40 FJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C\c1ccccc1 207056483 YHLUFEAZRXFHQL-ZROIWOOFSA-N 359.248 4.532 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223577365 UZMDJXZPVZSMSW-VZWMTCDZSA-N 358.507 4.773 10 40 FJCB COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccc(C)c1 408584272 NRYYVUYABQXIPY-HKWRFOASSA-N 365.473 4.558 10 40 FJCB COc1ccc(O)c([C@@H](C)NC(=O)c2sccc2-c2ccccc2)c1 84647519 ZVYFERLVUOCMCD-CYBMUJFWSA-N 353.443 4.620 10 40 FJCB O=C1/C(=C/Nc2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 100408648 BOYNNPDUKHAALX-GXDHUFHOSA-N 365.742 4.601 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NCc1ccc(F)cc1 103917893 MIDGQMNNXCZCKS-ZHZULCJRSA-N 369.415 4.531 10 40 FJCB O=[N+]([O-])c1cc2c(cc1/N=N/c1ccc(O)c3ccccc13)OCCO2 105959699 LVNOMNORYMLKFS-FMQUCBEESA-N 351.318 4.640 10 40 FJCB CN1C(=O)/C(=C\c2ccc(/N=N/c3ccccc3)cc2O)SC1=S 408730441 QVYFEJWVWUGUQB-CRQMPAQMSA-N 355.444 4.639 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@H]32)cc1 32189193 UDYHMAFBLLUKCT-IYOUNJFTSA-N 355.821 4.873 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSc3ccccc3)cc2)C1 217972472 SPAGISHGGODDDE-QZTJIDSGSA-N 368.546 4.892 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1sccc1C 408891729 CGQLOTAYGDVEKY-ATVHPVEESA-N 367.470 4.632 10 40 FJCB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408902609 OTXCIKLTGQAVFG-ZOQHSEBNSA-N 350.443 4.550 10 40 FJCB COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3 1244712 PABJTVXBLZNPNM-UHFFFAOYSA-N 358.488 4.663 10 40 FJCB COc1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1Cl 4700520 WZMIBFIZSYNWKG-ZSOIEALJSA-N 365.863 4.656 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 223022088 ROEMCLANHDLHNP-INIZCTEOSA-N 374.912 4.578 10 40 FJCB COc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1Cl 4602734 DQPVXKPYJYUIAZ-RIYZIHGNSA-N 361.228 4.808 10 40 FJCB CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2 14465751 RUSLRORVXJHXSF-HLIPFELVSA-N 352.865 4.916 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3)cc2)C1 219489052 LDADFTIKYLGNJU-GUDVDZBRSA-N 366.505 4.568 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4854888 KPXLFBDJKVKOJT-DOXZYTNZSA-N 351.362 4.638 10 40 FJCB c1coc([C@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCCC2)c1 22921827 SHZKTWVPLDALAU-QFIPXVFZSA-N 367.537 4.587 10 40 FJCB CC(C)c1ccc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2O)cc1 59135800 NRHDHRHYPNIJGL-RVDMUPIBSA-N 368.433 4.621 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccc(Cl)cc1 408894567 RGNUJZFXLQTDML-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 409155224 COTOOUWIOBSCKX-AHIWAGSCSA-N 371.780 4.983 10 40 FJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccc(Cl)cc1 103917839 QEPKCPYWJBBYMP-HKWRFOASSA-N 367.880 4.907 10 40 FJCB COc1ccc(/C=C2\C=C(c3cccs3)OC2=O)cc1Br 409053015 VZZKGCGFQQSLAI-YRNVUSSQSA-N 363.232 4.501 10 40 FJCB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(O)cc2)cc1 1085945 KGGWLLBYMVCZTL-RCCKNPSSSA-N 354.409 4.535 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3C)c2C)cc1C 6780920 AVZAEPVJKGITMM-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB COc1ccc(C2=C/C(=C/c3c(OC)ccc4ccccc34)C(=O)O2)cc1 59425906 LUHGHAIDIGQIKQ-LGMDPLHJSA-N 358.393 4.838 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 408844872 PQCNZFCJGNPXMP-HMMYKYKNSA-N 372.399 4.669 10 40 FJCB CN1C(=O)/C(=C2/Sc3ccccc3N2c2ccccc2)SC1=S 1024397 RJKROBQTUFWWEU-PEZBUJJGSA-N 356.497 4.590 10 40 FJCB CN1C(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)SC1=S 1173787 BYCFNKRHHRPEAR-WQLSENKSSA-N 367.904 4.915 10 40 FJCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219956963 GWZWYFJTDIJNAH-SFHVURJKSA-N 366.505 4.813 10 40 FJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccccc1 222636612 YHQRSOSEYLOZSV-ZLGUVYLKSA-N 374.513 4.770 10 40 FJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccco3)SC2=S)cc1 1210014 LXGWEPONVHCHEX-VBKFSLOCSA-N 358.488 4.532 10 40 FJCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NCc1ccco1 17076023 HJBRQQWJNSTACH-UHFFFAOYSA-N 370.861 4.651 10 40 FJCB CCCC1=NN(c2ccc(C(=O)O)cc2)C(=O)/C1=C/C=C/c1ccccc1 36617184 OYRDAUHYEXPSOJ-ABILJCPISA-N 360.413 4.527 10 40 FJCB CCOc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912899 POSDVMPHONIUJV-OAQYLSRUSA-N 371.440 4.936 10 40 FJCB CCN(CCNC(=S)Nc1ccc(C(C)C)cc1)c1ccc(C)cc1 225792458 NCIXBKWGBIUFNV-UHFFFAOYSA-N 355.551 4.931 10 40 FJCB Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCC[C@@H](C)C3)c(O)ccc12 4340369 BRCJYCBBVRVJQJ-OAHLLOKOSA-N 363.457 4.706 10 40 FJCB biogenic CCc1ccccc1NC1=NC(=O)/C(=C/c2cn(C)c3ccccc23)S1 6570508 YQTYLSSUUFTZBG-UNOMPAQXSA-N 361.470 4.823 10 40 FJCB Cc1cc(-c2csc(NC(=O)C3CC3)n2)c(C)n1-c1ccc(F)cc1 6831441 RLRVDUJFVXMDKE-UHFFFAOYSA-N 355.438 4.705 10 40 FJCB Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)c(C)c1 210990532 GIULWJFXKKMXSH-GZTJUZNOSA-N 354.500 4.574 10 40 FJCB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2c(CN3CCCC3)c(O)ccc12 4353876 TTXZDXRYOLLSBM-UHFFFAOYSA-N 369.848 4.723 10 40 FJCB biogenic CCOc1ccccc1/C=C1\SC(=S)N(c2ccc(F)cc2)C1=O 9188525 FRERLQHAXYYJFU-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB Cc1nc(-c2cccs2)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 12536450 LWZLKRJEZBHROX-UHFFFAOYSA-N 371.531 4.518 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1 35040936 GEVGGWKAFPRJBO-LFIBNONCSA-N 370.455 4.563 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 96703560 SGWPTUCLAYYKOO-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB O=C1[C@@H](/N=N/c2ccc(Br)cc2)Sc2nc3ccccc3n21 104087825 WEDUBELNWULICP-HVCBDAARSA-N 373.235 4.655 10 40 FJCB C[C@@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCCC2)cc1 225695411 RFMUPNUYHRCIHO-CYBMUJFWSA-N 361.461 4.613 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccc(O)c3)C2=O)cc1 408739457 WMBRZEGBNICEMQ-XMHGGMMESA-N 369.420 4.872 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c(C)c1 1086529 HZXLSEVSEURQIW-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 3069357 CFFYPIHHNRQQIV-AQTBWJFISA-N 368.527 4.721 10 40 FJCB O=C1c2ccccc2N[C@@H](c2cc(O)c(O)c(Cl)c2)N1c1ccccc1 7363910 JTTWKZNHVIUHBH-LJQANCHMSA-N 366.804 4.522 10 40 FJCB CCc1cccc2c(/C=C3/SC(=S)N(c4cccnc4)C3=O)c[nH]c12 97990667 OIZMVXHEQXURNO-CXUHLZMHSA-N 365.483 4.531 10 40 FJCB COc1cc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)ccc1C 409346043 NDDHWYDZVCMZDG-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 409348220 SBSNBQVNLBIKCI-YBEGLDIGSA-N 359.447 4.630 10 40 FJCB C[C@@H](NC(=O)CCc1ccccc1F)c1ccc(N2CCCCC2)cc1 225396502 AUIAHAMDPKWUEV-QGZVFWFLSA-N 354.469 4.626 10 40 FJCB O=C(c1sc2nc3c(cc2c1O)CCC3)C12CC3CC(CC(C3)C1)C2 5588969 QGAALOUCRSJFNY-UHFFFAOYSA-N 353.487 4.890 10 40 FJCB C/C(=C\c1ccc(/N=[N+](/[O-])c2ccc(/C=C(\C)C(=O)O)cc2)cc1)C(=O)O 100355740 RJTGTIAFUNVMMN-IIPOXOAKSA-N 366.373 4.588 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577965 QCYMIRAUZMHSMK-OALUTQOASA-N 350.506 4.651 10 40 FJCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 408865108 BOMJSCOBNLFVCB-KEYYUXOJSA-N 370.792 4.773 10 40 FJCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Cl)c(Cl)c1 1250440 OORVGSJENLVMEM-MLPAPPSSSA-N 367.282 4.794 10 40 FJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(F)cc1 103917127 AKUTYPGAAXNUCJ-BOPFTXTBSA-N 366.421 4.544 10 40 FJCB O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 409179648 TVIMWTZCOFYARY-QAJXAMCKSA-N 369.424 4.660 10 40 FJCB CCCC(=O)N[C@@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 801069 RSHNZQIRXYERPR-SFHVURJKSA-N 354.837 4.600 10 40 FJCB CCCC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 801088 UVSUHNPGFMUNCC-IBGZPJMESA-N 368.864 4.908 10 40 FJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1454883 BBHUPIMHPPGURS-RVAQLADHSA-N 368.527 4.715 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]32)cc1 32189189 UDYHMAFBLLUKCT-LBTNJELSSA-N 355.821 4.873 10 40 FJCB CCc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 225694434 VBDBJUKSYMNVNS-MRXNPFEDSA-N 353.535 4.897 10 40 FJCB CCN(CC)c1ccc(Nc2nc(-c3ccc(O)c(O)c3)cs2)cc1 1157284 DZUCHXNDNHGUHN-UHFFFAOYSA-N 355.463 4.811 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)c1 5371897 DMHWXSPWGRPEBX-SXGWCWSVSA-N 373.886 4.948 10 40 FJCB CN(C)c1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 13532434 IERITWGUNZICFR-LFIBNONCSA-N 374.918 4.812 10 40 FJCB COc1ccc(N2CCO[C@@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216726526 XZTRKRYWNYEORT-HXUWFJFHSA-N 354.837 4.675 10 40 FJCB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2c(O)c(O)ccc12 4832287 UIYMWPJZXGOSCE-UHFFFAOYSA-N 356.683 4.543 10 40 FJCB Cc1ccccc1N1C(=O)/C(=C\c2cn(C)c3ccccc23)SC1=S 5901291 KNHFKQWLBFEFIJ-WOJGMQOQSA-N 364.495 4.893 10 40 FJCB O=C1/C(=C\c2ccco2)N=C(c2ccc(F)cc2)N1c1ccc(Cl)cc1 408755940 PXYXQBFYWQKBJQ-LDADJPATSA-N 366.779 4.907 10 40 FJCB COc1ccc(-n2cnc3cc(NCc4cccc(OC)c4)ccc32)cc1 2306828 FFFWZKABVHAJQQ-UHFFFAOYSA-N 359.429 4.655 10 40 FJCB Cc1ccc([C@H](c2cc([N+](=O)[O-])ccc2O)N(C)Cc2ccccc2)cc1 48252112 OXCKRQBCQZWUPV-JOCHJYFZSA-N 362.429 4.830 10 40 FJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)[C@H]1/N=N/c1ccccc1 100517521 ZYUVFIVPSIFNJP-SIUCFOQUSA-N 361.430 4.685 10 40 FJCB CC(=O)c1c(CSCc2ccccc2)oc2ccc(O)c(CN(C)C)c12 778192 YKBKBQVKYLKBFB-UHFFFAOYSA-N 369.486 4.836 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)cc1 5372150 BYWTZMBPWXRKGN-AQTBWJFISA-N 368.527 4.721 10 40 FJCB CN(Cc1ccccc1O)C(=O)Nc1cccc(C2SCCCS2)c1 47393778 CVCSRVXZSNAKLP-UHFFFAOYSA-N 374.531 4.925 10 40 FJCB Cc1ccc2nc(-c3ccc4c(c3)[C@@H]3C=CC[C@@H]3[C@H](C(=O)O)N4)sc2c1 58851026 IBWVMXRLUCZMDR-BIENJYKASA-N 362.454 4.810 10 40 FJCB O=c1cc(Nc2c3ccccc3nc3ccccc23)[nH]n1-c1ccccc1 100887994 RLAZSYOEHXTGHD-UHFFFAOYSA-N 352.397 4.611 10 40 FJCB CC1(C)CC(=O)c2cc(-c3ccccc3)n(-c3ccc(C(=O)O)cc3)c2C1 753957 QKLIFXRBMIIYJI-UHFFFAOYSA-N 359.425 4.998 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3C)C2=O)cc1 5603145 YDZLUJXZQDJQQK-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB COc1ccc(CN(Cc2c(O)ccc3ccc(OC)cc23)C2CC2)cc1 8148444 JSDMPVMHDCKITR-UHFFFAOYSA-N 363.457 4.727 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 217912673 IWRRGKULCTWBCJ-OPGJMIRHSA-N 366.480 4.953 10 40 FJCB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225769426 YPKDGBWNVRSSPB-SJORKVTESA-N 367.493 4.814 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409152561 JHNXPGDMKYHUMF-LAPQFRIASA-N 364.401 4.516 10 40 FJCB CC[C@@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 981329 OLKQEOPFSBLVHQ-OMJMQIJPSA-N 369.490 4.632 10 40 FJCB Oc1cc2c(cc1CN1CCC[C@@H](c3nc4ccccc4s3)C1)CCC2 7977097 RBNXKWNUJIIZMV-QGZVFWFLSA-N 364.514 4.870 10 40 FJCB CCN(CCCNC(=S)Nc1cc(C)cc(C)c1)c1ccc(C)cc1 225732654 ATAIMCXZRKBRPY-UHFFFAOYSA-N 355.551 4.815 10 40 FJCB CCOc1ccccc1N1C(=O)/C(=C/c2cccc(F)c2)SC1=S 1250461 NTLDYPSYYPCTTI-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB C[C@H]1CCCN(C2=NC(=O)/C(=C\c3ccc(Cl)c(Cl)c3)S2)C1 5066316 SVKZKQTVIILNOD-CEITULEQSA-N 355.290 4.696 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 5448560 JYGSSKLRBHATMN-VBHSOAQHSA-N 370.792 4.773 10 40 FJCB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(F)cc2)SC1=S 6757830 APEIZJQFPHYVMF-BOPFTXTBSA-N 373.474 4.626 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 60512486 DQSQUUXZIQYPCO-SFQUDFHCSA-N 355.484 4.800 10 40 FJCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219957031 GWZWYFJTDIJNAH-GOSISDBHSA-N 366.505 4.813 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@@H]2C=CC[C@H]21 409160247 WKVRVLSRPMWXTK-PSTGCABASA-N 370.792 4.773 10 40 FJCB Cc1nnc(S[C@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)s1 6534265 XPSVKAZAVUPFTQ-CYBMUJFWSA-N 357.504 4.618 10 40 FJCB COc1ccc(COC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1F 7778142 GROJDSZFNVDXDP-UHFFFAOYSA-N 353.393 4.599 10 40 FJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 15011637 LDDWBBXFUVBNRI-LHQXNBGVSA-N 368.439 4.557 10 40 FJCB N=C1/C(=C\c2ccc(Cl)cc2)C(=O)N=C2SC(C3CCCCC3)=NN12 26642541 ZOLPJWPCPMREPG-DNDQVXSWSA-N 372.881 4.539 10 40 FJCB CCN(CC)c1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222560600 SQSBFKFFEZFVAZ-CWFSZBLJSA-N 366.534 4.517 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2F)cc1 408761622 HJEJMOSCDZRKLO-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 408885400 ZFULKGLRDAXKDL-KEYYUXOJSA-N 369.804 4.563 10 40 FJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2ccc(C(C)C)cc2)SC1=S 409193838 FULGVVWGJSUMFX-GZTJUZNOSA-N 356.516 4.766 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 19800271 VINKDOVSSKPILU-UYRXBGFRSA-N 373.368 4.661 10 40 FJCB O=C1/C(=C\Nc2cccc(Cl)c2)C(C(F)(F)F)=NN1c1ccccc1 100329291 MXLLOFSHBBOLBU-UVTDQMKNSA-N 365.742 4.601 10 40 FJCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1cccc2ccccc12 113830382 DQXLBOOHYQCULC-LDADJPATSA-N 363.463 4.951 10 40 FJCB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(O)c3ccccc23)cc1 834447 BKEZPAKTGANESH-UHFFFAOYSA-N 355.459 4.644 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 6714458 QVAKCQCZQVIVJD-BXWFABGCSA-N 365.389 4.946 10 40 FJCB CN(C)c1ccc(CN(C(=O)c2ccccc2Cl)c2ccccn2)cc1 28288060 RCVJISQSVBLKHQ-UHFFFAOYSA-N 365.864 4.648 10 40 FJCB CC1=CN2C(=N)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 31937007 HCFNHUVNMFSGKY-CLFJUMGRSA-N 369.833 4.767 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\Nc1nc2ccc(Cl)cc2s1 100552364 QVURFYZTMKSMKV-UVTDQMKNSA-N 368.849 4.668 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2OC)SC1=S 5371281 NZJWWSYCYDORFV-ATVHPVEESA-N 355.484 4.663 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)cc1 5551922 GEVGGWKAFPRJBO-WJDWOHSUSA-N 370.455 4.563 10 40 FJCB Cc1cccc(C)c1-n1c(C)cc(C(=O)C(=O)Nc2ccccc2F)c1C 6780948 UWYMHWLPIGODQO-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB COc1ccc(-n2c(C)cc([C@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961855 RYZRSAWIWSAJOF-NRFANRHFSA-N 363.486 4.800 10 40 FJCB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1c1ccccc1F 9420011 LQJDLSBPYGBFRF-LICLKQGHSA-N 369.442 4.550 10 40 FJCB Cc1ccc(CN(C)C(=O)/C=C/c2ccc(N3CCCCCC3)cc2)o1 12534514 KPGFSVFNSGUEFE-GXDHUFHOSA-N 352.478 4.640 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C\c2cccc([N+](=O)[O-])c2)SC1=S 6574309 VJORKHJMCCEYPT-LFIBNONCSA-N 370.455 4.563 10 40 FJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=S)NC3=O)cc21 208243698 JWKABXNZUKFTPO-ISKYKNHCSA-N 366.939 4.551 10 40 FJCB C[C@H](NC(=S)Nc1c(F)cccc1F)c1ccc(N2CCCC2)cc1 225695428 RFMUPNUYHRCIHO-ZDUSSCGKSA-N 361.461 4.613 10 40 FJCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1ccccc1F 409334162 VSACRUQXKIXCJF-ZSOIEALJSA-N 365.838 4.591 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)c1 5551956 HDYQTNFXNZAPRL-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB CCCCOc1ccc(/C=C2\SC(N3CCCCCC3)=NC2=O)cc1 27018665 LJEKYTLXAFQBFR-SDXDJHTJSA-N 358.507 4.712 10 40 FJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)NC1CCCCCC1 103917778 WTOPYQWQWZOOFL-PGMHBOJBSA-N 369.509 4.784 10 40 FJCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 5544072 ISUXSSNANSFHPE-JWGURIENSA-N 368.436 4.838 10 40 FJCB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCc1ccc(N(CC)CC)cc1 225274181 KXEFAILIWKWXHU-NRFANRHFSA-N 368.521 4.623 10 40 FJCB COc1ccc(N[C@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 888934 JCSSFFKTQAWGBS-HXUWFJFHSA-N 357.413 4.546 10 40 FJCB CCCN(CCC)c1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 3309045 QRVCSRGWGJIGCV-HMMYKYKNSA-N 366.436 4.797 10 40 FJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 33665446 WUEVWVJJPGBYDV-HNEYUBDGSA-N 362.470 4.569 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(OC(C)C)c(Cl)c1 408904431 JHRHHNLREDBOMI-GZTJUZNOSA-N 354.837 4.933 10 40 FJCB COc1cccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)c1 1463226 JQWSGURQZZPYKY-OAQYLSRUSA-N 357.413 4.546 10 40 FJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 10818691 PHKZSDFIFOSAPU-UHFFFAOYSA-N 374.469 4.865 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\C=C\c3ccco3)SC2=S)cc1 27533647 NNRAFANMPBAKOC-FWPHUCDGSA-N 357.456 4.640 10 40 FJCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1cccc(Cl)c1 225415459 NJHPKVGBIFMCGB-UHFFFAOYSA-N 359.926 4.817 10 40 FJCB CCCCCC(=O)Nc1ccc2c(c1Cl)C(=O)c1ccccc1C2=O 4965675 ZNLAYOHALLLVBK-UHFFFAOYSA-N 355.821 4.634 10 40 FJCB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(Br)cc2)S1 6456558 QTHKQSAWBOONSQ-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB CCCN1C(=O)/C(=C\C=C2/C=CN(CC)c3ccccc32)SC1=S 4859541 RWSCJXNIPLBNBL-QWGLIZDWSA-N 356.516 4.578 10 40 FJCB Cc1ccc([C@@H](c2ccccc2O)N2CCN(c3ccccc3)CC2)cc1 12537003 UTQLYEYNAJBMGN-DEOSSOPVSA-N 358.485 4.612 10 40 FJCB COc1ccc2cc(C3=C/C(=C/c4ccccc4OC)C(=O)O3)ccc2c1 408721839 AEUAAXGFLVXJGX-UNOMPAQXSA-N 358.393 4.838 10 40 FJCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(Cc2ccccc2)C1=O 409327067 HIXCEBFXCMOGLW-LDADJPATSA-N 369.511 4.875 10 40 FJCB COc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1OC 408721881 AYPBFLNYBLGEKN-ODLFYWEKSA-N 358.393 4.838 10 40 FJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1 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O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 409179643 TVIMWTZCOFYARY-BWVSBGNWSA-N 369.424 4.660 10 40 FJCB Cc1ccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)nc1 45944409 UKEVIZGSJSQUGB-HXUWFJFHSA-N 356.429 4.549 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 409171163 YIQBLUYABPJBAK-QINHECLXSA-N 364.401 4.516 10 40 FJCB CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=C\c1c(O)ccc2ccccc12 55121104 DOEAGHKWLNRHND-MOSHPQCFSA-N 356.425 4.968 10 40 FJCB Cc1ccc(/N=N\c2cc(S(=O)(=O)O)c3ccccc3c2O)c(C)c1 104366804 MEOMZKXAWZYXEX-VXPUYCOJSA-N 356.403 4.824 10 40 FJCB C[C@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCCCC2)cc1 225663762 VOEMKFIEXQBCCP-HNNXBMFYSA-N 357.498 4.864 10 40 FJCB COC(=O)C1=C(C)N(c2cccc3ccccc23)C(=O)/C1=C\c1ccccc1 408529381 HOMFQLCXDNUWPG-HKWRFOASSA-N 369.420 4.717 10 40 FJCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=O)NC3=O)c2)cc1C 408725504 KVLLONSAZFZOEQ-UKAHEONWSA-N 353.403 4.748 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4854891 KPXLFBDJKVKOJT-KHYOSLBOSA-N 351.362 4.638 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1C 9232285 RTQQYPHFDUGYET-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB Oc1ccc2c(oc3cc4c(O)nn(C5CCCCCCC5)c4nc32)c1O 95475078 NBMKOSANLYVROZ-UHFFFAOYSA-N 367.405 4.733 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CSc3ccccc3)cc2)C1 260466453 SPAGISHGGODDDE-ROUUACIJSA-N 368.546 4.892 10 40 FJCB Cc1cc(C(F)(F)F)n2nc(N)c(/N=N/c3ccccc3Cl)c2n1 3849088 LFHBOAPMMPCUCI-QURGRASLSA-N 354.723 4.708 10 40 FJCB C[C@@H]1CN(C2CC2)C[C@@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1657509797 RMVTUSIBMGVHDT-QRWLVFNGSA-N 358.570 4.560 10 40 FJCB O=C1/C(=C/c2ccc(Cl)cc2Cl)SC(=S)N1Cc1ccco1 1450924 NUHDKXSRTFZIPF-MLPAPPSSSA-N 370.282 4.988 10 40 FJCB CC(/C=C1\SC(=S)N(Nc2ccccc2)C1=O)=C\c1ccccc1 5032929 MGWORHWJUVDHKT-PZAFVPBJSA-N 352.484 4.861 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nc(C(C)C)n[nH]3)c2C)cc1 6865439 BUQNXBFNKZPMPL-UHFFFAOYSA-N 368.506 4.619 10 40 FJCB CC(C)(C)OC(=O)n1cc(/C=C2\C(=O)Nc3ccccc32)c2ccccc21 12855891 CZZCRIAMXUDJIZ-ATVHPVEESA-N 360.413 4.917 10 40 FJCB CN(C)c1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc1 33621276 PIINAXLADFXBHN-PEZBUJJGSA-N 358.441 4.876 10 40 FJCB O=C1/C(=C/c2c[nH]nc2-c2ccccc2)SC(=S)N1C1CCCCC1 4994913 YABVPHGBZUXPSC-WJDWOHSUSA-N 369.515 4.611 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409152558 JHNXPGDMKYHUMF-CKNLXJGOSA-N 364.401 4.516 10 40 FJCB CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(C)cc2)SC1=S 1180826 YSUSGSLYZFCNAC-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 409155230 COTOOUWIOBSCKX-XNJGSVPQSA-N 371.780 4.983 10 40 FJCB O=C1/C(=C/C(Cl)=C/c2ccccc2)SC(=S)N1Cc1ccco1 5372218 UUNAHIGAVVRFGO-VIYDEIPASA-N 361.875 4.804 10 40 FJCB Cn1c(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc2ccccc21 5374372 VUJUUPARHALMSI-GZTJUZNOSA-N 367.861 4.914 10 40 FJCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccc(Cl)cc1 225415522 HMHBIIYNAAINSA-UHFFFAOYSA-N 359.926 4.817 10 40 FJCB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260803047 YPKDGBWNVRSSPB-IRXDYDNUSA-N 367.493 4.814 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1 409170779 XSQHRKOFQLXULE-KEYYUXOJSA-N 371.780 4.983 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1ccc(F)cc1)oc1ccccc12 11619240 AIKTUUVIGUIGGD-UHFFFAOYSA-N 364.376 4.784 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 6960283 JBLREMIJVMSLSV-ABSDTBQOSA-N 364.401 4.516 10 40 FJCB CCCCOC(=O)c1cccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)c1 70462725 VSNXHVIGUAFKAI-QZQOTICOSA-N 356.378 4.771 10 40 FJCB CCc1ccc(/C=C2/SC(Nc3cccc(C)c3)=NC2=O)cc1[N+](=O)[O-] 97990570 MKOOIJPNUKVPFL-GZTJUZNOSA-N 367.430 4.548 10 40 FJCB CN(C)c1ccc(/N=N\c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 104149159 HZFZIJDCKZOTBF-VHXPQNKSSA-N 355.397 4.943 10 40 FJCB Cc1ccc(C2=C/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2c2ccco2)cc1 408783963 RALMGMBUWWEMCW-QGOAFFKASA-N 372.380 4.968 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c1 5551912 OCDKCTCVYBOJNQ-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1 44085584 HEMSQQWIZMYKTA-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB Cc1ccc(O)c(C2=NN3[C@H](c4ccc(C)o4)Oc4ccccc4[C@H]3C2)c1 227485827 OCRZAFVNLBMSJS-GCJKJVERSA-N 360.413 4.844 10 40 FJCB O=C1c2ccccc2C(=O)C12OC(c1ccccc1)=C[C@H]2c1ccccc1 2267845 NURCMRRRJYUVKI-FQEVSTJZSA-N 352.389 4.660 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(F)cc3)cc2)C1 260795832 LUKFSTUPDXFRAP-ZWKOTPCHSA-N 368.496 4.872 10 40 FJCB Cn1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)c2ccccc21 408969037 GBCXTUVKIAVWFB-WJDWOHSUSA-N 369.346 4.527 10 40 FJCB Cc1cccc(N[C@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1 5900692 GHAJWLCLZNLXNM-OAQYLSRUSA-N 371.440 4.859 10 40 FJCB Oc1ccc(Br)cc1CN1CCC(Cc2ccccc2)CC1 12376252 RMJQNRBEPZTQOG-UHFFFAOYSA-N 360.295 4.609 10 40 FJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(C)c1 14406725 LZVUDDCXKHXVEH-WQRHYEAKSA-N 367.832 4.526 10 40 FJCB CC(=O)Oc1ccc(Cl)cc1/C=C1\C=C(c2ccc(C)cc2)OC1=O 408740661 CYFURBCZUGVIAI-CXUHLZMHSA-N 354.789 4.555 10 40 FJCB CCn1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c2ccccc21 409133376 MDDMCAUYYFVUPC-YVLHZVERSA-N 368.483 4.656 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1 4172142 OBPDCWYINFBKTO-VKJFTORMSA-N 370.246 4.974 10 40 FJCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c[nH]c2ccccc12 32099363 JACJDQWPKOKHST-MFOYZWKCSA-N 369.346 4.993 10 40 FJCB Cc1oc2c(c1C(=O)c1ccc(Cl)cc1)C(=O)C(=O)c1ccccc1-2 4785574 FXCHHPMETQQPRQ-UHFFFAOYSA-N 350.757 4.518 10 40 FJCB aggregator C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccccc3F)cc2)C1 260770325 RWTOMQYLITXHSN-ROUUACIJSA-N 368.496 4.872 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N(c2cccc(SC)c2)C1=O 409332502 POLISAJMUXRQEW-YBEGLDIGSA-N 373.524 4.823 10 40 FJCB Oc1ccc(Cl)cc1C1=NN2[C@H](C1)c1ccccc1O[C@@H]2c1ccco1 102907361 VRJGVANABHFNMB-OXQOHEQNSA-N 366.804 4.881 10 40 FJCB COc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225769447 YPKDGBWNVRSSPB-IAGOWNOFSA-N 367.493 4.814 10 40 FJCB CC1=CC(C)(C)N(C(C)C)c2ccc(/C=C3/SC(=O)N(C)C3=O)cc21 223482065 HZTMXJQPVROASN-LICLKQGHSA-N 356.491 4.763 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 408752761 GRTBAAMEVXJENI-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 408953181 WYGRPBYWPFZUIB-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3ccc(C)o3)S2)cc1 6869794 ZUBFKYCDANURMO-ATVHPVEESA-N 355.463 4.517 10 40 FJCB CN(Cc1ccccc1O)C(=O)Nc1ccccc1N1CCc2ccccc21 47507589 WPTJQRCXCHCNOB-UHFFFAOYSA-N 373.456 4.750 10 40 FJCB COc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260802859 NTYIYEDIZRDKKB-DLBZAZTESA-N 367.493 4.814 10 40 FJCB O=C1/C(=C\c2cccs2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408756286 RCQLQVHYBXWSEP-LDADJPATSA-N 366.392 4.861 10 40 FJCB Cc1ccc(N[N+](=NN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 408720370 MFMQDQBBELQEIJ-UHFFFAOYSA-N 371.420 4.638 10 40 FJCB Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(O)cc2)cc1 408753772 HZGWAOJHYIKTAI-KGENOOAVSA-N 372.399 4.674 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1ccccc1 408986495 MILKRRSQXWIFTG-ZHZULCJRSA-N 361.441 4.687 10 40 FJCB Cc1ccc(N2C(=O)C(C)(C)[C@H]2c2cc(Br)ccc2O)cc1 1078511 XRHSVSXYVPVTMG-MRXNPFEDSA-N 360.251 4.577 10 40 FJCB CCOc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4598684 RNBLWOOGUHLSQJ-OQKWZONESA-N 368.436 4.920 10 40 FJCB Cc1ccc(/C=C2/C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)o1 5528889 OMOYEJHHEIPYDI-ZRSPDKKLSA-N 370.478 4.568 10 40 FJCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 14011400 LKPWZRCOMXYIGC-JXAWBTAJSA-N 350.443 4.528 10 40 FJCB COc1cc(CN(C)Cc2c(O)ccc3ccccc23)ccc1OC(F)F 16354554 GCQQJBAAIYLBQH-UHFFFAOYSA-N 373.399 4.787 10 40 FJCB CCOc1ccccc1/C=C1\SC(=S)N(Cc2ccc(C)cc2)C1=O 409054191 SHYSZHKGGWUFJO-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1cccc([N+](=O)[O-])c1 1416001 TWGKSSPGJRRZSN-MAHQCVNESA-N 368.439 4.557 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3OC)SC2=S)cc1 4700151 MQFIHBLXAZRCNI-ATVHPVEESA-N 355.484 4.663 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 6960414 JBLREMIJVMSLSV-SQGPQFPESA-N 364.401 4.516 10 40 FJCB Cc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c(C)n1C1CC1 57546890 ULQTZANHNOIAPU-BOPFTXTBSA-N 354.500 4.846 10 40 FJCB Cc1ccc([C@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 972738 KISDJXZVLXBGQQ-NRFANRHFSA-N 368.436 4.768 10 40 FJCB O=C1CC[C@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=O 8615418 IJOFVFFEGSVZNK-QFIPXVFZSA-N 354.449 4.959 10 40 FJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccc(Cl)cc2)cc1 9096319 ZEFMEFVDEFQMDE-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB CCCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2)SC1=S 409331517 NLTVWXQSSMVSHG-AQTBWJFISA-N 369.511 4.877 10 40 FJCB CCOc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 4544568 ABXRYDXGQIEZIG-MHWRWJLKSA-N 370.836 4.553 10 40 FJCB Cc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3O)C2)c1 95115932 DBZDGKIGYWCHPE-GOSISDBHSA-N 362.454 4.754 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2)C1 225633286 VCKWZRFZYSXGAD-GOSISDBHSA-N 362.517 4.732 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)c1 409170776 XSQHRKOFQLXULE-CPUCHLNUSA-N 371.780 4.983 10 40 FJCB Cc1ccc(-c2ccc(CCC(=O)O)n2CCOc2cccc(C)c2)cc1 409378797 SCBZCUBFCSJGMK-UHFFFAOYSA-N 363.457 4.868 10 40 FJCB COc1ccc2nc3cc(Cl)ccc3c(Nc3nccc(OC)n3)c2c1 5495367 FAPCVKGZOXQPKW-UHFFFAOYSA-N 366.808 4.592 10 40 FJCB Cc1ccc(C(=O)N2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)cc1 33907944 ZKEIFWXXXHEPHS-ZOTODKCHSA-N 365.479 4.593 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)cc1 57555159 OVJVRMMAFKYJOU-DHDCSXOGSA-N 361.875 4.760 10 40 FJCB CCCCOC(=O)[C@@H](C)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778868 YQDLVHCOSDSRDD-OAHLLOKOSA-N 366.413 4.571 10 40 FJCB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260735282 GKTQVYQFMCFTDG-DLBZAZTESA-N 368.550 4.674 10 40 FJCB CCN(CC)c1ccc(/C=C2\Sc3ccccc3NC2=O)c(OC)c1 409107287 RQWZVADNHLEPJQ-UNOMPAQXSA-N 354.475 4.627 10 40 FJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc([N+](=O)[O-])cc1Cl 13590187 SDWADIQSZIPNGF-UVTDQMKNSA-N 372.837 4.768 10 40 FJCB Cc1cccc(N/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 97963960 DWHQVRGGRDFNMX-MTOJCTJASA-N 354.500 4.870 10 40 FJCB C#CCn1cc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)c2ccccc21 106379419 YZEJIVGHKIFZMN-MOSHPQCFSA-N 371.465 4.665 10 40 FJCB C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)NCc1ccccc1 58166055 GEJUZBKNNQANAS-SFHVURJKSA-N 360.457 4.865 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1cccc(C)c1)oc1ccccc12 11619190 NYZLNRPICSOYEO-UHFFFAOYSA-N 360.413 4.954 10 40 FJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccc(Br)cc1 13590829 IWFKOGRIFMXXKX-WJDWOHSUSA-N 372.291 4.968 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)Cc3cccc(Cl)c3)cc2)CC1 224439578 QPWPDKCOCUFIJE-KRWDZBQOSA-N 370.924 4.996 10 40 FJCB O=C(Nc1ccc2nc3ccc4ccccc4c3nc2c1)c1cccnc1 408976975 UDTJSSCTDMVMMU-UHFFFAOYSA-N 350.381 4.584 10 40 FJCB C[C@H](NC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)c1ccccc1 2294494 BZSBHFPLVSFKIG-ZDUSSCGKSA-N 368.392 4.530 10 40 FJCB O=Cc1ccc2c(c1)C(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=O 3844568 OPFCIJJRAPGUHX-UHFFFAOYSA-N 374.006 4.888 10 40 FJCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(N2CCCCC2)cc1C 4704773 JQFGVAXBEUEWKR-JWGURIENSA-N 359.473 4.791 10 40 FJCB O=C1c2ccccc2C(=O)C1(Nc1ccc(F)cc1Cl)c1ccccc1 7000596 VPFJDSHVSFZYBU-UHFFFAOYSA-N 365.791 4.866 10 40 FJCB COc1ccc(NCc2ccc(N3CCCC[C@H]3C)c([N+](=O)[O-])c2)cc1 226241500 CCXAKIZZHHWNER-OAHLLOKOSA-N 355.438 4.594 10 40 FJCB C[C@@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCCC2)cc1 225664190 JWLYRDPVMNAKCZ-OAHLLOKOSA-N 357.498 4.864 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(O)cc2)c1 408765576 MJIIYQRXWWBJSN-RCCKNPSSSA-N 354.409 4.535 10 40 FJCB Cc1ccnc(N[C@H](c2cccc(F)c2)c2ccc3cccnc3c2O)c1 4414018 OTFQEKBHSZDRLM-HXUWFJFHSA-N 359.404 4.984 10 40 FJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)NCc1ccccc1Cl 103917864 ZLVPERVVMFZVOO-HKWRFOASSA-N 367.880 4.907 10 40 FJCB CCCCc1ccc(N2C(=O)/C(=C\c3cccn3C)SC2=S)cc1 5371636 OZUVMERGSLYYMA-GHRIWEEISA-N 356.516 4.774 10 40 FJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)c1 13617425 JINGCLQOPTZHRC-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(C(=O)O)cc1 35397591 VCUADTZLZVIBJJ-WQRHYEAKSA-N 374.421 4.620 10 40 FJCB O=C1[C@H]2[C@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 409171947 FGHKDGGZSUBBCZ-SFWPEMHRSA-N 369.424 4.804 10 40 FJCB Cc1cc(C(=O)OCc2nnc(-c3ccccc3)o2)c(C)n1-c1ccccc1 2643350 DSMFVRRFGJORGD-UHFFFAOYSA-N 373.412 4.501 10 40 FJCB CN(C)c1ccc(/N=N\c2ccc(S(=O)(=O)O)cc2)c2ccccc12 33246176 SBERNLZHGUBTKR-VXPUYCOJSA-N 355.419 4.568 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)c1 408753489 ADZJRUOPMUCBTJ-LTGZKZEYSA-N 354.409 4.530 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 218808931 SBMGHVSBFFSPPL-YLJYHZDGSA-N 364.533 4.960 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260577969 QCYMIRAUZMHSMK-RBUKOAKNSA-N 350.506 4.651 10 40 FJCB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)cc1 2287222 NUMIYMBWSJVYNX-JOCHJYFZSA-N 373.456 4.532 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 111478427 XIBCVKVJXSINML-LPMFXHHGSA-N 365.389 4.946 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C\c2cccc(OC)c2)SC1=S 35038917 MYHDLDLQFPVLNL-SFQUDFHCSA-N 355.484 4.663 10 40 FJCB COc1ccc(/C=C2/C=C(c3ccc4cc(OC)ccc4c3)OC2=O)cc1 408721970 BUZVDWNOYIINNV-ODLFYWEKSA-N 358.393 4.838 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(Cl)c1 408895648 VAPIUKXUDBHWPA-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB CCCN1C(=O)/C(=C\c2cc(C)n(-c3cccnc3)c2C)c2ccccc21 409110019 POCHFVJGVIWJJW-STZFKDTASA-N 357.457 4.786 10 40 FJCB COc1ccc(C2=C/C(=C/c3cccc4ccccc34)C(=O)O2)c(OC)c1 657162 MBIKNOMCWDNIBJ-ATVHPVEESA-N 358.393 4.838 10 40 FJCB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OCC)cc1)C3 2121240 CSRNVJKIKSANDT-UHFFFAOYSA-N 365.429 4.501 10 40 FJCB biogenic CC[C@@H](C)Oc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cccc1OC 4525902 BZPIIMAQZFEFFD-ATPAHOSSSA-N 364.445 4.679 10 40 FJCB Cc1ccc(/C=C2/SC(Nc3ccc(Br)cc3)=NC2=O)cc1 8411293 AYNBSAZPAOVWTL-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C=C3C)C1=O 208461464 WTNPZURUJNPUFJ-YVLHZVERSA-N 356.491 4.683 10 40 FJCB O=C(Oc1ccc2nc3ccc4ccccc4c3nc2c1)c1cccnc1 408975062 JKPCJSZMCDNHBO-UHFFFAOYSA-N 351.365 4.550 10 40 FJCB O=C1[C@H]2[C@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1)[C@@H]1C[C@@H]31 409179639 TVIMWTZCOFYARY-AWDDHRSBSA-N 369.424 4.660 10 40 FJCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)CC1 9188874 XXMUZTPYGIGJCH-ZROIWOOFSA-N 355.290 4.696 10 40 FJCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(F)cc2)c1 408765224 XKFMFOMVNDPDST-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2)cc1 408766065 ZBGBVMOZMSDAEC-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 660180 JXGUPZLPQCAMFX-OQKWZONESA-N 368.436 4.920 10 40 FJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccccn3)n2n1 1396030 UNYXPIJCBSTUEA-UHFFFAOYSA-N 371.469 4.927 10 40 FJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCOc1ccccc1 9188779 GJKFXEUKDRZFGC-DQBOXZGESA-N 367.495 4.523 10 40 FJCB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCC[C@@H](C)C2)cc1 225440220 FGBAGFFJKHACIJ-SJORKVTESA-N 370.924 4.996 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409152556 JHNXPGDMKYHUMF-ARGWCVDVSA-N 364.401 4.516 10 40 FJCB CC[C@H](C)c1ccc(N2C(=O)N=C(O)/C(=C\c3ccc(C)o3)C2=O)cc1 2215808 LRXFIZNUIIBIHG-OOIIIRTPSA-N 352.390 4.608 10 40 FJCB Cc1ccc(C)n1-c1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 6832026 UDLBWYRTZQBKDR-UHFFFAOYSA-N 356.372 4.948 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C/C=C\c3ccccc3)SC2=S)cc1 212481226 XRXGOLLGHCSCOF-BRMXFPEKSA-N 366.511 4.715 10 40 FJCB CCc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4140453 FAXRCUZTAIRCDA-LDBYXDLTSA-N 350.418 4.992 10 40 FJCB CCCCCNc1nc(/N=N/c2ccccc2)nc(OCC(F)(F)F)n1 4677304 QTCQJVKWXJUUEZ-OCOZRVBESA-N 368.363 4.830 10 40 FJCB CCN(CC)c1ccc(CN(C)C(=O)Nc2nc3ccccc3s2)cc1 9978948 ROHAVXBSYXXICS-UHFFFAOYSA-N 368.506 4.806 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C(C)C)cc1 225842462 USUPUIXQYRHGRE-GOSISDBHSA-N 368.521 4.740 10 40 FJCB COc1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1299342 WTSFAEPUMZSATC-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB CCOc1ccc(NC2=NC(=O)/C(=C\c3ccc(Cl)s3)S2)cc1 5794280 SVSNYFWTXRPFQP-UKTHLTGXSA-N 364.879 4.883 10 40 FJCB CC1=CC(C)(C)N(C(C)C)c2cc(C)c(/C=C3/SC(=S)NC3=O)cc21 223508437 XKNUPRHRWZGYAE-RQZCQDPDSA-N 372.559 4.894 10 40 FJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@H]21 409158845 LWHGNEJRXGHHKE-WVQJBOLRSA-N 371.780 4.983 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1 6542780 MWQSFBASIMTTQA-JXAWBTAJSA-N 353.512 4.693 10 40 FJCB C/C(Nc1ncccc1C)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103920760 FCZYPSYVHYVHEQ-JZJYNLBNSA-N 368.440 4.527 10 40 FJCB CCOc1ccc(C(=O)NCc2ccc(N(CC)CC)cc2)cc1Cl 224686091 IJOGMHHLMUWFRU-UHFFFAOYSA-N 360.885 4.515 10 40 FJCB CC[C@@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408905334 XLEYJTQPRZAXBI-DQPIFXJKSA-N 364.445 4.679 10 40 FJCB CCN1C(=O)/C(=C/c2c[nH]c3ccc(Br)cc23)c2ccccc21 409193958 IWHBCXASTQACNF-CXUHLZMHSA-N 367.246 4.838 10 40 FJCB O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)ccc1Cl 6971449 RVJDIPOXYUUUKW-PRXAMGSTSA-N 371.780 4.983 10 40 FJCB CCCC1=NN(c2ccc(OC)cc2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 112116929 XHGCBPUOLQNTMU-PGMHBOJBSA-N 363.461 4.892 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=S)Nc3ccccc3)cc2)CC1 217936494 UBOXLJNXOPNBTN-KRWDZBQOSA-N 353.535 4.971 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S 3069349 WGHMPNRIIOARLR-ATVHPVEESA-N 355.484 4.663 10 40 FJCB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1cccc2ccccc12 3848772 YABLKRHSOQNQLS-WCWDXBQESA-N 372.310 4.605 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c1 4676852 XAEOLKHFMBZAAZ-PDGQHHTCSA-N 368.527 4.775 10 40 FJCB CCc1c(-c2csc(-c3ccc(N(C)C)cc3)n2)[nH]c(C)c1C(C)=O 63629679 UTIKXOLKTHVOJN-UHFFFAOYSA-N 353.491 4.945 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1cccc(Br)c1 112118561 YOZAXXUPXRJFCI-ATVHPVEESA-N 370.250 4.558 10 40 FJCB Cc1cc(/C=C2/SC(=O)NC2=O)c(C)n1-c1ccc(Cl)c(Cl)c1 113835159 YBPDVKBTCGKSRI-MKMNVTDBSA-N 367.257 4.725 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CSc2ccc(Cl)cc2)cc1 225353804 WEKOBPOEWJWVGV-UHFFFAOYSA-N 362.926 4.595 10 40 FJCB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N(CC)CC)cc1 225416796 JRWSUVIGSSLQBY-OAQYLSRUSA-N 368.521 4.623 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 4859485 VXYQVSHWFNVJAE-ZQIUZPCESA-N 370.246 4.974 10 40 FJCB Oc1cc2c(cc1CN1CCC(c3nc4ccccc4s3)CC1)CCC2 8231460 BLBQEGRNTZNFBW-UHFFFAOYSA-N 364.514 4.870 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccc(C)c1 14406604 MYGJAQXLLRMHJR-ZHZULCJRSA-N 361.441 4.571 10 40 FJCB Cc1ccccc1NC(=O)c1c(C)oc2ccc(O)c(CN3CCCC3)c12 5182481 GPTAINYKSPZZPU-UHFFFAOYSA-N 364.445 4.603 10 40 FJCB CC(C)(C)c1ccc(/C=C/C(=O)NCc2ccc(N3CCCC3)cc2)cc1 13649399 OVDKXLYKSQWYRB-XNTDXEJSSA-N 362.517 4.914 10 40 FJCB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N(CC)CC)cc1 222587495 LZATWTCDZBPIIV-IBGZPJMESA-N 374.912 4.660 10 40 FJCB Cc1cc2n(n1)[C@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1c(C)cccc1-2 627817 BTYWXXBMXWPIGZ-OAQYLSRUSA-N 363.461 4.848 10 40 FJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccccc3)SC2=S)cc1 1236384 YVMIPSTWPVADKO-JXAWBTAJSA-N 368.527 4.939 10 40 FJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c(-c2ccccc2)[nH]c2ccccc12 408769247 MDKGCPUTKKKVHU-UHFFFAOYSA-N 373.408 4.589 10 40 FJCB C[C@@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1 224209059 HSQGYLBKGDAENO-OAHLLOKOSA-N 374.887 4.889 10 40 FJCB COc1ccc(N[C@@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 719394 VBEITGLBDAOQQK-OAQYLSRUSA-N 357.413 4.546 10 40 FJCB CN(CCO)c1ccc(/N=N/c2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1 4774773 MPIGKGDPQRWZLU-VHEBQXMUSA-N 369.208 4.746 10 40 FJCB c1csc([C@@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCC2)c1 22924716 AIHRIZFNGYXGDS-OAQYLSRUSA-N 369.578 4.665 10 40 FJCB Cc1nc2ccccc2c(=O)n1/N=N/N(c1ccccc1)c1ccccc1 36617540 TVHWTBCSWIJFSJ-WCWDXBQESA-N 355.401 4.674 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)[C@H](C)Oc3ccccc3)cc2)CC1 219488971 ANBSHPYKNRGUMA-OALUTQOASA-N 366.505 4.568 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccc(F)cc3)cc2)C1 260795831 LUKFSTUPDXFRAP-ROUUACIJSA-N 368.496 4.872 10 40 FJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)SC2=S)c1 409327723 LUBWWNPSEDWBHO-DHDCSXOGSA-N 361.875 4.760 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c(C)c1 5375813 USCSPFPOBMNGIY-ODLFYWEKSA-N 361.470 4.878 10 40 FJCB CN(C)c1ccc(CN2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)cc1 35442903 UKEBYRCTXKAKCX-HNNXBMFYSA-N 355.869 4.537 10 40 FJCB biogenic,in-vitro O=C(O)CCN1CCC(=C2c3ccccc3CSc3sccc32)CC1 6929325 YLTLPKNVEOLZIF-UHFFFAOYSA-N 371.527 4.726 10 40 FJCB Cc1cc(C)cc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 58850383 RGJAYRNZVFQDNQ-UHFFFAOYSA-N 354.475 4.512 10 40 FJCB Cc1cccc(/C=C2\SC(=S)N(c3cccc4ccccc34)C2=O)n1 409328760 AMCDRPKWTJLOHW-PDGQHHTCSA-N 362.479 4.949 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)cc1 6780927 UQHXFGTUAAQSTR-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB COc1ccc2cc(C3=C/C(=C/c4ccc([N+](=O)[O-])cc4)C(=O)O3)ccc2c1 408722606 MAPKBMDNXCMBHQ-ZDLGFXPLSA-N 373.364 4.738 10 40 FJCB C[C@H]1CN(C2CC2)C[C@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1657509796 RMVTUSIBMGVHDT-MGPUTAFESA-N 358.570 4.560 10 40 FJCB CCc1nc2sc(C(=O)Oc3ccccc3C)c(N)c2c2c1CCCC2 16161200 CNSKZCXTYIOUIU-UHFFFAOYSA-N 366.486 4.847 10 40 FJCB Cc1oc2c(CNC3CCCC3)c(O)ccc2c(=O)c1-c1ccc(F)cc1 32501389 KOHZIYYMWKQVOJ-UHFFFAOYSA-N 367.420 4.645 10 40 FJCB biogenic CCCOC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 2374087 APVUUDBYBYXLMG-UHFFFAOYSA-N 358.488 4.663 10 40 FJCB COc1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140464 DWRQJVRFOLULAC-SIFCLUCFSA-N 366.417 4.747 10 40 FJCB CCCCOC(=O)c1ccc(/N=N/Nc2ccccc2C(=O)OCC)cc1 6480706 ASOOHRCSMOPNLW-UHFFFAOYSA-N 369.421 4.931 10 40 FJCB COc1ccc(C(C)=O)cc1CSc1ncc(-c2ccccc2)n1C 7129123 ODENBWQSEQOPPK-UHFFFAOYSA-N 352.459 4.591 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(OC)cc2)SC1=S 35384335 WGHMPNRIIOARLR-SFQUDFHCSA-N 355.484 4.663 10 40 FJCB O=C1[C@@H](/N=N\c2ccc(Br)cc2)Sc2nc3ccccc3n21 104087822 WEDUBELNWULICP-UNQMGURYSA-N 373.235 4.655 10 40 FJCB Cc1ccc(C)c(C2=C/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)c1 409057794 WKMJZNSMWTUCPR-RIYZIHGNSA-N 355.777 4.846 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1cccs1 1103998 GWIPMHVCIBAZBV-GDNBJRDFSA-N 373.861 4.587 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(Cl)cc1 13799662 ZEHUXUQIQFZIAT-AQTBWJFISA-N 367.832 4.607 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccccc3F)cc2)C1 225690195 CITBGIFYTPLOBI-HNNXBMFYSA-N 357.498 4.549 10 40 FJCB CCOC(=O)Cc1c(/N=N\c2ccccc2)c2cc(OC)ccc2n1C 4181929 CLTFRCOCHOMCOO-DQRAZIAOSA-N 351.406 4.708 10 40 FJCB CCc1ccc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)cc1 5985155 OFFLSVAOGNURIY-BOPFTXTBSA-N 352.459 4.654 10 40 FJCB COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3)o2)cc1Cl 227148330 LNRLKKSDNZBKHM-DHZHZOJOSA-N 368.820 4.843 10 40 FJCB COc1ccccc1-n1c(C)cc([C@H](C[N+](=O)[O-])c2ccc(C)cc2)c1C 3195596 YISQAVPOCUQVPK-HXUWFJFHSA-N 364.445 4.820 10 40 FJCB COc1cc2c(cc1NCC(=O)N(C)c1ccccc1)oc1ccccc12 11619179 DLUVBGVLNQZDBD-UHFFFAOYSA-N 360.413 4.670 10 40 FJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Br)c1)N2 3999511 XPWBIFYCUFEFIV-DAYGRLMNSA-N 370.246 4.974 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)c1 5371135 CEZINQCFCBEEEK-BOPFTXTBSA-N 353.468 4.603 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 7209128 OGBIBLYUWOKAPC-LFIBNONCSA-N 374.918 4.812 10 40 FJCB COc1cc(C)c(C[C@H]2SC(=S)N(CC(C)C)C2=O)cc1C(C)C 8333856 KWPAMPIMNRGNLP-QGZVFWFLSA-N 365.564 4.554 10 40 FJCB O=C1[C@H](Nc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1 9553411 OKEUPHNDHBZKEH-CYBMUJFWSA-N 368.405 4.508 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(C)cc1C 408967950 YFRHALQOMREFRY-QNGOZBTKSA-N 355.441 4.900 10 40 FJCB COc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)O)cc1)[C@H]1CC=C[C@@H]21 4172092 DGQBJVYZBWGTDF-GLJUWKHASA-N 355.821 4.873 10 40 FJCB Clc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCCO4)n2c1 4499463 XDNBEUHHENOMDY-UHFFFAOYSA-N 367.792 4.763 10 40 FJCB O=C(O)c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 32121340 YHGZJYFPCHEVKE-JCGVRSQUSA-N 369.804 4.593 10 40 FJCB N=C1NC(=O)/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)S1 408726145 QEONLYAKZUKMMM-OOTKMWNNSA-N 358.810 4.600 10 40 FJCB COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@@H]2CC=CCC2)cc1 7986156 DTOSFTKUWDMLRZ-LJQANCHMSA-N 364.489 4.651 10 40 FJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1ccccc1Br 13590831 KJRWVTARJQTDHL-KAMYIIQDSA-N 372.291 4.968 10 40 FJCB O=C1/C(=C\c2cccs2)SC(=S)N1c1ccc(F)c(Cl)c1 2262953 XMHPSIYKCRMGQQ-KPKJPENVSA-N 355.868 4.946 10 40 FJCB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(F)cc2)SC1=S 5715807 APEIZJQFPHYVMF-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB C[C@H](NC(=O)Cc1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1 224209110 HSQGYLBKGDAENO-HNNXBMFYSA-N 374.887 4.889 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccc(O)cc3)C2=O)cc1 408842760 KQSQMMRECUDCKL-KGENOOAVSA-N 372.399 4.674 10 40 FJCB Cc1ccc(NC(=O)c2ccc3c4c(onc24)-c2ccccc2C3=O)cc1 710990 SJSUGOZBSRDKIV-UHFFFAOYSA-N 354.365 4.600 10 40 FJCB CCCCn1c(CCC(=O)O)ccc1-c1ccc(Br)cc1 3634685 DFDXTQCTBIMDML-UHFFFAOYSA-N 350.256 4.735 10 40 FJCB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235969 JRLPTRAEVDBDDD-IEMQHYRPSA-N 365.483 4.525 10 40 FJCB CCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 5420696 UXXIGYLSOGGOSD-RGEXLXHISA-N 364.445 4.680 10 40 FJCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccccc1F 1018400 QSSNOZMHJWDADJ-LICLKQGHSA-N 358.438 4.678 10 40 FJCB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21 4859484 VXYQVSHWFNVJAE-GRDNDAEWSA-N 370.246 4.974 10 40 FJCB O=C(O)/C(=C\c1ccc(N2CCCC2)cc1)Sc1nc2ccccc2o1 7365555 XYDUQYLQNZDLFR-QGOAFFKASA-N 366.442 4.646 10 40 FJCB COC(=O)c1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)cc1 408723580 XCXUIKOQLNJKSW-NDENLUEZSA-N 356.377 4.608 10 40 FJCB Oc1cc(Br)ccc1[C@@H]1Cc2cc(Br)ccc2N1 642881733 UEUDUQLMNBTXFJ-ZDUSSCGKSA-N 369.056 4.627 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c(C)c1 5375071 UYOANPNANKYAKF-YVLHZVERSA-N 353.468 4.522 10 40 FJCB CCOc1cc(OCC)c2c(C)c(C3=CC=CCC3=S)c(=O)oc2c1 71404981 ABLVBTATVSMHMR-UHFFFAOYSA-N 356.443 4.612 10 40 FJCB C[C@H](Oc1ccccc1)C(=O)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219489279 LDADFTIKYLGNJU-QYZOEREBSA-N 366.505 4.568 10 40 FJCB O=C(O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 4980120 GZYRFVLGNMMIEK-OGHNNQOOSA-N 370.792 4.773 10 40 FJCB O=C1c2ccccc2C(=O)[C@]2(C(c3ccccc3)c3ccccc3)N=NC[C@@H]12 5699001 PHAJJSDXCOLSSX-RDPSFJRHSA-N 366.420 4.719 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C4CC4)o3)c2C)cc1 8230963 ZFZWXMXYLUMXOW-UHFFFAOYSA-N 367.474 4.638 10 40 FJCB C[C@H](NC(=O)CCc1ccccc1F)c1ccc(N2CCCCC2)cc1 225396533 AUIAHAMDPKWUEV-KRWDZBQOSA-N 354.469 4.626 10 40 FJCB Cn1c(-c2ccccc2)cnc1SCc1cc(Cl)cc2c1OCOC2 7129635 DNJIYLYWCJFDLO-UHFFFAOYSA-N 372.877 4.899 10 40 FJCB CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=O)NC3=O)c2C)cc1 13881537 RIFGVOXEWGBOIC-PDGQHHTCSA-N 354.475 4.761 10 40 FJCB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N)cc2)c(C(C)(C)C)c1 19736799 YHFBYBFKBYGXFB-UHFFFAOYSA-N 354.494 4.881 10 40 FJCB Oc1c([C@H](Nc2ccc(Cl)cn2)c2cccnc2)ccc2cccnc12 46085419 IUNDEYHMHSDNPH-GOSISDBHSA-N 362.820 4.585 10 40 FJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 13809824 FOONSDURONQDMT-BOPFTXTBSA-N 354.475 4.716 10 40 FJCB Cc1cccc(CSCC(=O)NCc2ccc(N3CCCCC3)cc2)c1 62225368 UXDPVJXBBRFJHI-UHFFFAOYSA-N 368.546 4.535 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=O)c3ccc(Cl)cc3F)cc2)C1 225310962 XZLWSHNQACPJMJ-CQSZACIVSA-N 360.860 4.645 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2)cc1 408761467 DUAXKVWOYXWSPP-XMHGGMMESA-N 360.438 4.591 10 40 FJCB CC(C)N1C(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)SC1=S 5860062 SIOMMXQUFZFKNO-LDADJPATSA-N 369.511 4.875 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)c1 408753698 KJNNMWZIRVEPNR-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB COc1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)ccc1C 409338741 AAVBIJZKNCWRTF-SXGWCWSVSA-N 359.447 4.549 10 40 FJCB COc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 719393 VBEITGLBDAOQQK-NRFANRHFSA-N 357.413 4.546 10 40 FJCB Cc1cc(NCc2cc(Br)ccc2O)ccc1Br 2570908 XOBZAZRVRZVEGT-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)c1 6844890 IUJODHMWJZTIJL-LICLKQGHSA-N 353.468 4.603 10 40 FJCB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)SC(=S)N1Cc1ccco1 13573612 ZNSHRBUPIOTBFI-NTUHNPAUSA-N 370.282 4.988 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)Cc3ccc(Cl)cc3)cc2)CC1 218529380 NZYVDDSLTBOZGZ-QGZVFWFLSA-N 370.924 4.996 10 40 FJCB COc1ccc(NC2=NC(=O)/C(=C/c3cccc4ccccc34)S2)cc1 7275661 PRJQLKORJHGGCI-UYRXBGFRSA-N 360.438 4.931 10 40 FJCB CCN1C(C)=C(C)S/C1=C1\SC(=S)N(C2CCCCC2)C1=O 100529877 UDEYUPYKUREXLM-SQFISAMPSA-N 354.566 4.669 10 40 FJCB COc1cccc([C@@H]2Nc3c(C)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)c1OC 409167099 HJWGXJKGVBZCRF-LAPQFRIASA-N 365.429 4.537 10 40 FJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C)o2)c1 227485816 OCRZAFVNLBMSJS-AVRDEDQJSA-N 360.413 4.844 10 40 FJCB C/C(=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O)c1ccc(O)cc1 2700388 ARRQKADUYRRLJH-LGMDPLHJSA-N 355.484 4.805 10 40 FJCB CC(/C=C1\SC(=S)N(c2ccc(O)cc2)C1=O)=C\c1ccccc1 13660122 KUAYSAMFLPNGLT-YMGXUNRSSA-N 353.468 4.744 10 40 FJCB COc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644710 BDGXUWHJEXOCCX-HXUWFJFHSA-N 357.413 4.546 10 40 FJCB O=C1S/C(=C/c2ccc(N3CCCCC3)cc2)C(=O)N1c1ccccc1 408901893 IMOPLXQVGXPXDI-XDJHFCHBSA-N 364.470 4.918 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1sccc1C 408978549 MSMCQSWRIRBIMB-GDNBJRDFSA-N 373.861 4.587 10 40 FJCB COc1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140465 DWRQJVRFOLULAC-AVYPCKFXSA-N 366.417 4.747 10 40 FJCB CSc1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1ccc(F)cc1S2 19802242 WXERULFFOFICFF-SFHVURJKSA-N 374.550 4.543 10 40 FJCB CN(Cc1ccccc1O)C(=O)c1cc2ccccc2n1Cc1ccccc1 83865603 IZCKEJMAKILUEL-UHFFFAOYSA-N 370.452 4.667 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3ccc(Cl)cc3)cc2)C1 260453373 LZVJUAZCECUXCR-IRXDYDNUSA-N 370.924 4.996 10 40 FJCB CC1=NN(c2ccc(C)c(Cl)c2)C(=O)/C1=C\Nc1ccc(F)cc1F 408527810 GMSZGEJYFXGNIA-ZROIWOOFSA-N 361.779 4.645 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1OC)N2 409174788 OWSGSYPGBGGGKT-NQCMUKECSA-N 369.848 4.962 10 40 FJCB Cc1ccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)cc1 33713048 ORDNIFNXXWKQAS-XNTDXEJSSA-N 373.886 4.690 10 40 FJCB Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1C 225415279 NEOYMASUWXCLLB-UHFFFAOYSA-N 353.535 4.780 10 40 FJCB COc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)cc1OC 408827305 JAZUOHNISNOWEU-XFQAVAEZSA-N 365.429 4.537 10 40 FJCB FC(F)(F)Cn1c(-c2ccccc2)cnc1SCc1cscn1 728162783 YPVYTPXCLSXDHM-UHFFFAOYSA-N 355.410 4.861 10 40 FJCB O=C1NC(=S)S/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 1269268 WVMZZSRDJRQJDI-IZZDOVSWSA-N 356.255 4.742 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3cccc([N+](=O)[O-])c3)SC2=S)c1 5551935 PAGLMQJZQWPVLL-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 3030787 MPVZBXFKZGPPAN-NBVRZTHBSA-N 368.527 4.939 10 40 FJCB Cc1ccc(C(=O)COC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 3241305 XHZDNWTTWFXEDR-UHFFFAOYSA-N 365.404 4.581 10 40 FJCB CCCCC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccc2cccnc2c1O 3894238 UAXCAMFEQNFDHG-IBGZPJMESA-N 368.864 4.990 10 40 FJCB biogenic CCN(CC)Cc1cc2c(cc1O)CC[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 6382508 SYEMTPLYSXPSEN-DNGCBJQESA-N 355.522 4.659 10 40 FJCB Cc1ccccc1OC(=O)c1sc2nc(-c3ccco3)ccc2c1N 13206939 CUJAHFMEJLTCJZ-UHFFFAOYSA-N 350.399 4.666 10 40 FJCB CCOc1ccccc1NC(=S)N[C@@H](C)c1ccc(N2CCCC2)cc1 225694217 YBNGWMDZWOSUEV-INIZCTEOSA-N 369.534 4.733 10 40 FJCB COc1ccc(-c2cc3cc(C(=O)O)ccn3c2C(=O)c2ccccc2)cc1 1243671 SILKZBFRWZWCJR-UHFFFAOYSA-N 371.392 4.544 10 40 FJCB COc1ccccc1/C=C1/N=C(c2cccc(C)c2)N(c2ccccc2)C1=O 653886 ASFMUOXIYSMMAY-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(OC)cc2)cc1 9096320 QKHDWOKTLCXLLI-UHFFFAOYSA-N 365.429 4.569 10 40 FJCB O=C1/C(=C/Nc2cccc3ccccc23)SC(=S)N1Cc1ccco1 618254530 DNYJJFYRUYWAPI-BOPFTXTBSA-N 366.467 4.747 10 40 FJCB O=C(O)c1ccc(NCc2c(O)ccc3cc(Br)ccc23)cc1 2280960 ALAPXRMRCXYPBC-UHFFFAOYSA-N 372.218 4.618 10 40 FJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(C(C)(C)C)cc1 208529269 TYLORXZZEMFFKV-BOPFTXTBSA-N 370.543 4.880 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)Cc3ccccc3Cl)cc2)CC1 225439893 YJRHVYGARLFTJC-KRWDZBQOSA-N 370.924 4.996 10 40 FJCB CCOc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1 408948224 OZOUJFBESDKQTJ-UHFFFAOYSA-N 353.393 4.699 10 40 FJCB O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1c1ccc(F)c(Cl)c1 409183506 ULOIYXSYYRLGGW-VGOFMYFVSA-N 365.838 4.591 10 40 FJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 1064135 IUCIOCQDDTVZBC-BIENJYKASA-N 364.401 4.598 10 40 FJCB Cc1cccc(OC(=O)c2sc3nc(-c4ccco4)ccc3c2N)c1 2228111 YEHPPJKWDLQYOA-UHFFFAOYSA-N 350.399 4.666 10 40 FJCB CCOc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)c(O)c1 3291240 URIHHCPNWPTGMF-QFIPXVFZSA-N 357.413 4.780 10 40 FJCB Cc1nc2ccccc2c(=O)n1/N=N\N(c1ccccc1)c1ccccc1 36617539 TVHWTBCSWIJFSJ-VHXPQNKSSA-N 355.401 4.674 10 40 FJCB CCOc1ccc2nc3sc(C(=O)OC4CCCCC4)c(N)c3cc2c1 917126 WGTMTABVTITXCH-UHFFFAOYSA-N 370.474 4.920 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F 225393578 DDFMMOWVWJQTCG-INIZCTEOSA-N 370.468 4.562 10 40 FJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)N=C2C)cc1 4359695 PNPQBXYTXAEZMS-JCMHNJIXSA-N 361.489 4.956 10 40 FJCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C/c1ccccc1 4602694 XAQBSOVXYCLNKP-CAPFRKAQSA-N 362.498 4.612 10 40 FJCB FC(F)(F)Oc1ccc(N2CCC(NC3CCCCCC3)CC2)cc1 95373458 BYPKKQPTIWHTLU-UHFFFAOYSA-N 356.432 4.866 10 40 FJCB CC[C@H](Oc1cccc(C)c1C)C(=O)NCc1ccc(N(CC)CC)cc1 225416843 JRWSUVIGSSLQBY-NRFANRHFSA-N 368.521 4.623 10 40 FJCB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1c1ccccc1F 54360780 LQJDLSBPYGBFRF-YVLHZVERSA-N 369.442 4.550 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)Cc3cccc(Cl)c3)cc2)C1 260845577 UHQQSHZLSXMGOJ-IRXDYDNUSA-N 370.924 4.996 10 40 FJCB CN1CCN(C2=Cc3ccc(Cl)cc3Sc3ccc(F)cc32)CC1 19802386 IAMLCAUGORULLB-UHFFFAOYSA-N 360.885 4.689 10 40 FJCB O=S(=O)(Nc1nc(-c2cccc3ccccc23)cs1)c1ccccc1 58704801 UJSOPSFFWLSTKV-UHFFFAOYSA-N 366.467 4.764 10 40 FJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccc(F)cc2)N1c1ccccc1 408755750 MTHORGGBZIHZKN-XSFVSMFZSA-N 360.363 4.799 10 40 FJCB CN(C(=O)/C=C/c1c(Cl)nc2sccn12)c1ccc2ccccc2c1 58381541 AADRHBFHGRJWHW-CMDGGOBGSA-N 367.861 4.879 10 40 FJCB CN(Cc1ccccc1O)C(=O)c1cc(-c2cccs2)nc2ccccc12 83865599 HASBTKJRDSSTEX-UHFFFAOYSA-N 374.465 4.941 10 40 FJCB O=C1/C(=C\c2cccn2-c2ccccc2)SC(=S)N1c1ccccc1 408902598 OTMFHHDEKBAPCP-NBVRZTHBSA-N 362.479 4.883 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OC)N2 409174792 OWSGSYPGBGGGKT-VLXJIEOASA-N 369.848 4.962 10 40 FJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 975252 ZVADUHWSMMXPBN-QKLQHJQFSA-N 364.401 4.598 10 40 FJCB CCOC(=O)C1=NN(c2ccccc2)/C(=C/c2ccc(OCC)cc2)S1 5464973 ASAWRDCXHIZXQC-JXAWBTAJSA-N 368.458 4.514 10 40 FJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1cc(Cl)cc(Cl)c1O 6473674 PHOOBMVLDHLFEV-QPEQYQDCSA-N 365.241 4.781 10 40 FJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(N(C)C)cc2)N3)C1 6713278 XVZPSSYIOJQNJW-XIKOKIGWSA-N 355.507 4.758 10 40 FJCB O=C1/C(=C/c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(O)cc1 9095682 DIUZAWZVTQGIEL-ZHZULCJRSA-N 374.827 4.880 10 40 FJCB C[C@@H](NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCCC2)cc1 225693937 MUSSERQSICWHQU-CQSZACIVSA-N 359.926 4.988 10 40 FJCB CN1C(=O)/C(=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 9188395 VFRLHWWGOKMACK-UVTDQMKNSA-N 363.548 4.818 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 4501466 YBZYZLVFMPDZHI-GUXCAODWSA-N 364.401 4.516 10 40 FJCB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(N2CCCCC2)cc1 225008198 XNYOKGXDSPKAPO-INIZCTEOSA-N 356.897 4.750 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccccc2)cc1 408997363 NYLMEZIEQFJAAD-HMMYKYKNSA-N 374.465 4.981 10 40 FJCB Cc1oc2ccc(O)c(CN3CCCCC3)c2c1C(=O)Nc1ccccc1 5182500 GZCGJHBUFHVUIS-UHFFFAOYSA-N 364.445 4.685 10 40 FJCB O=C1c2ccccc2N[C@@H](c2cccc(O)c2O)N1c1ccc(Cl)cc1 7884551 ZEYCFGQHZCMUFR-LJQANCHMSA-N 366.804 4.522 10 40 FJCB CN(C)c1ccc([C@H]2N=C(c3ccccc3)[C@@H]3[C@@H](c4ccccc4)N32)cc1 25763160 RSXWXEAYFFVBFX-DMCRHAFWSA-N 353.469 4.680 10 40 FJCB O=C1c2ccccc2-c2onc3ccc(NCCc4ccc(F)cc4)c1c23 2298439 GEKJSZVQUMQFEI-UHFFFAOYSA-N 358.372 4.833 10 40 FJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4714141 ZDWQMRJXNDYJAD-ZWOKBUDYSA-N 364.401 4.598 10 40 FJCB CN(Cc1nc2ccccc2s1)Cc1c(O)c(Cl)cc(Cl)c1O 12920604 ZFOKTBRIZKDENH-UHFFFAOYSA-N 369.273 4.646 10 40 FJCB COc1ccc(OC)c(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)c1 408721961 BSQPWJMAZYOUFO-RVDMUPIBSA-N 374.392 4.544 10 40 FJCB Clc1ccc(CSc2nnc3c(n2)OC=Nc2ccccc2-3)cc1 3656387 DGPQNGBOJYQZBJ-UHFFFAOYSA-N 354.822 4.537 10 40 FJCB Oc1ccccc1C1=NN(c2ccccc2)[C@@H](c2ccc3c(c2)OCCO3)C1 4746135 LURHSNZEJYZOCZ-HXUWFJFHSA-N 372.424 4.519 10 40 FJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235970 JRLPTRAEVDBDDD-COOUDCDJSA-N 365.483 4.525 10 40 FJCB CC(=O)c1ccc(NC(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 40050267 JHIGCVAMQYRNIX-UHFFFAOYSA-N 350.393 4.688 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Oc2cc(C)cc(C)c2C)cc1 225031522 CEIVAAKSHZGPOI-IBGZPJMESA-N 368.521 4.542 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2ccc(C)cc2)cc1 408763774 QTJBTLWLDLQYDN-XSFVSMFZSA-N 374.465 4.900 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219274305 ICZNTQYUAREOSI-LJQANCHMSA-N 350.506 4.651 10 40 FJCB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 224214747 JOADSBIPTQYSJO-FQEVSTJZSA-N 374.912 4.660 10 40 FJCB CC1(C)CC(=O)[C@@H]2[C@H](C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 1731628 FFDVJTDNVGIUNO-IHPCNDPISA-N 365.433 4.547 10 40 FJCB CCOc1ccc(N2COc3ccc4c(oc(=O)c5ccccc54)c3C2)cc1 2122533 VHGSDDDGSCLWOB-UHFFFAOYSA-N 373.408 4.701 10 40 FJCB biogenic COC(=O)c1ccc([C@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 4320923 LSEUQOBRAOITCE-QMTMVMCOSA-N 369.848 4.962 10 40 FJCB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccccc2O)cc1 6211780 WIIIZJHLBMRXNK-NFBKMPQASA-N 356.425 4.943 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1C 23042561 GYPKOBVGXMUEPO-FQEVSTJZSA-N 350.462 4.815 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=O)c3ccc4c(c3)CCCC4)cc2)C1 225633316 VCKWZRFZYSXGAD-SFHVURJKSA-N 362.517 4.732 10 40 FJCB CN(C)c1ccc(/C=C/[C@@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 1882589 GRDAWTQQWOGWLJ-SERSOLAASA-N 361.489 4.620 10 40 FJCB biogenic O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccc(Br)c1)N2 3999510 XPWBIFYCUFEFIV-HDMKZQKVSA-N 370.246 4.974 10 40 FJCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1Cc1cccnc1 9086997 LMXPCDHZOAOWLG-UHFFFAOYSA-N 360.506 4.828 10 40 FJCB CCCCOC(=O)c1ccc(/N=N/c2cc(C)c(O)c(C(=O)O)c2)cc1 70462719 UJGBKLPFHPJBNU-QZQOTICOSA-N 356.378 4.771 10 40 FJCB O=[N+]([O-])c1ccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)cc1 3893389 QAFOHHPHHYVGNB-IBGZPJMESA-N 361.357 4.643 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cc(C)cc(C)c3)c2C)cc1 6780929 NLKKHEIGPMYWAH-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB Cc1ccccc1N1C(=O)/C(=C\c2ccc(O)c(Cl)c2)SC1=S 409327483 KAPXNIAHOHMLSO-OQLLNIDSSA-N 361.875 4.760 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccc(C)cc1 59435701 DQJUNHWJHOBHJA-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB CC(C)c1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1 225422840 KUYOIQOAWLDYAL-UHFFFAOYSA-N 353.535 4.897 10 40 FJCB C[C@@H](NC(=S)Nc1ccccc1F)c1ccc(N2CCCCC2)cc1 225663741 VOEMKFIEXQBCCP-OAHLLOKOSA-N 357.498 4.864 10 40 FJCB Cc1cccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)c1C 6780941 RWVMKIZTGLMXNO-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB O=C1/C(=C\c2ccc(F)cc2)N=C(c2ccccc2F)N1c1ccccc1 408764912 NSNIZRILGQKBOT-XSFVSMFZSA-N 360.363 4.799 10 40 FJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1OC 409150130 AJJPOGZQBIHWFX-QEEYODRMSA-N 366.417 4.747 10 40 FJCB CC(C)N1c2ccc(/C=C3/SC(=S)NC3=O)cc2[C@@H](C)CC1(C)C 223550438 IEBLYRNVZADEQU-RGZVIEDOSA-N 360.548 4.676 10 40 FJCB O=C(O)c1cc(Br)cc2c1N[C@@H](c1ccccc1)[C@H]1CC=C[C@@H]21 58928723 PUQBMJOMQNFBJQ-KEYYUXOJSA-N 370.246 4.974 10 40 FJCB CCCCCN/C(C)=C1\C(=O)N(c2nc3ccccc3s2)N=C1CCC 112118442 STBGHCOWFUKZFV-JXAWBTAJSA-N 370.522 4.853 10 40 FJCB CCCCCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S 2666835 DMTWFRLQUBZIES-RAXLEYEMSA-N 370.337 4.841 10 40 FJCB C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)NCc1ccccc1 58166056 GEJUZBKNNQANAS-GOSISDBHSA-N 360.457 4.865 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1OC)N2 409174790 OWSGSYPGBGGGKT-QHRIQVFBSA-N 369.848 4.962 10 40 FJCB CCN(CC)Cc1cc2c(cc1O)CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 6382505 SYEMTPLYSXPSEN-IVKZONNUSA-N 355.522 4.659 10 40 FJCB CCCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 9188421 CZJNZVXEKMUQDR-AQTBWJFISA-N 369.511 4.877 10 40 FJCB Cc1c(O)c(CN2CCC(C)CC2)cc2c(-c3ccccc3)cc(=O)oc12 5214129 UIGSNUMUXKMAQT-UHFFFAOYSA-N 363.457 4.706 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccccc1Cl 17193812 HWQZFHGPZBBELB-LGMDPLHJSA-N 367.832 4.607 10 40 FJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccsc1 20987310 KIGGPFKNFGFNIJ-WUXMJOGZSA-N 354.378 4.849 10 40 FJCB COc1cccc(/C=C2\SC(Nc3ccccc3)=NC2=O)c1OC(C)C 5140440 IFOIGDOENJLIJH-ATVHPVEESA-N 368.458 4.565 10 40 FJCB Oc1cc2c(cc1CN1CCC[C@@H]1c1nc3ccccc3s1)CCC2 10109627 DLHMAOVLJMEGMM-GOSISDBHSA-N 350.487 4.828 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccc(OC)cc2)C[C@@H]1c1ccccc1O 11692707 QMNSHSMCIZMPKS-HXUWFJFHSA-N 366.461 4.515 10 40 FJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3ccncc3)n2n1 1384286 SSZNOXYZDXOSRI-UHFFFAOYSA-N 371.469 4.927 10 40 FJCB Cc1ccc(N/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 4109255 IZFFUIWRMXETQB-RFRKOGIWSA-N 354.500 4.870 10 40 FJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccccc2Cl)cc1 6804311 QWGVLYXJCASLIF-UHFFFAOYSA-N 368.864 4.842 10 40 FJCB COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)Cc2ccccc2)cc1 12522025 VETMSBWFGJAPHM-UHFFFAOYSA-N 374.484 4.957 10 40 FJCB Cc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc(Br)cc1 100542645 HYPRZRZKGBUQGH-VXPUYCOJSA-N 356.227 4.941 10 40 FJCB Cc1nc(N)sc1-c1csc(Nc2ccccc2C(F)(F)F)n1 1421777 GYLXNEMHKQJILM-UHFFFAOYSA-N 356.398 4.920 10 40 FJCB CCc1nc2ccccc2n1CC(=O)Nc1cccc(-n2c(C)ccc2C)c1 35316460 ZGZMNNMZWFVKRI-UHFFFAOYSA-N 372.472 4.645 10 40 FJCB CCc1ccc(/C=C2\SC(Nc3cccc(C)c3)=NC2=O)cc1[N+](=O)[O-] 6831531 MKOOIJPNUKVPFL-BOPFTXTBSA-N 367.430 4.548 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(F)cc3)cc2)CC1 223553578 UHUJABKBDHNBNW-GOSISDBHSA-N 368.496 4.872 10 40 FJCB CCOc1ccccc1N[C@@H](c1ccccn1)c1ccc2cccnc2c1O 72414059 GCOOIWKQJGSFOR-JOCHJYFZSA-N 371.440 4.936 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 222678231 DVNJWEIWURHSIQ-LJQANCHMSA-N 350.506 4.714 10 40 FJCB COc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225763396 NTYIYEDIZRDKKB-SJORKVTESA-N 367.493 4.814 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409174833 PHLXDDUDPABGMT-VBHSOAQHSA-N 370.792 4.773 10 40 FJCB CN(C)c1ccc(Cc2ccc(N(C)C)c3cccnc23)c2ncccc12 1665698 QXVFGXBRIWDLES-UHFFFAOYSA-N 356.473 4.506 10 40 FJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(N(C)C)cc2)N3)C1 6713383 XVZPSSYIOJQNJW-SGTLLEGYSA-N 355.507 4.758 10 40 FJCB CC1CCN(C(=S)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 8843386 BQSHDNJGZMUDJK-UHFFFAOYSA-N 364.854 4.916 10 40 FJCB Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N(C)c2ccc(O)cc2)c1 32809353 ZIFHEKWMGLNXBQ-UHFFFAOYSA-N 354.837 4.730 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccccc3Br)S2)c1 97990564 MRBKYZDKXXECFV-GDNBJRDFSA-N 373.275 4.840 10 40 FJCB O=C1OC(c2ccccc2)=N/C1=C\c1cccn1Cc1ccccc1Cl 4551515 HRTQELZKFFLQOT-UYRXBGFRSA-N 362.816 4.534 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H]1CC=C[C@H]21 6963517 VQDHHVBSHKCWAL-FRQCXROJSA-N 351.362 4.638 10 40 FJCB Cc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)c(Cl)c3)C2=O)o1 2321878 JYGNHLISOZGCAY-NVNXTCNLSA-N 363.891 4.951 10 40 FJCB Cc1ccc(C)c(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225415163 ZXURYOVXXIONKP-UHFFFAOYSA-N 353.535 4.780 10 40 FJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1C 225693776 VQRCJMATZFCIFX-KRWDZBQOSA-N 353.535 4.951 10 40 FJCB C[C@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)c1ccccc1 3902993 XPGYUZFSXBBPSQ-VLURKWGBSA-N 355.484 4.658 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N(c2cccc(Cl)c2)C1=O 13712329 XLOJBQWXFZCHGP-DHDCSXOGSA-N 361.875 4.754 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C(C)C)cc2)C(=O)/C1=C\c1cccs1 201634797 IVDTVSUAZSBGSO-PDGQHHTCSA-N 367.470 4.749 10 40 FJCB CCOc1cccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225417521 GCXMLHUNDHUCSA-UHFFFAOYSA-N 369.534 4.562 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3cccc(OC)c3)SC2=S)cc1 35038920 PUFSPMQYAMAAAI-SFQUDFHCSA-N 355.484 4.663 10 40 FJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C/c1cccc2ccccc12 35043691 DWIRHJPQWHRMEG-LDADJPATSA-N 374.421 4.620 10 40 FJCB Cc1ccc([C@@H](c2cc([N+](=O)[O-])ccc2O)N(C)Cc2ccccc2)cc1 48252110 OXCKRQBCQZWUPV-QFIPXVFZSA-N 362.429 4.830 10 40 FJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1cccs1 100319314 GQRQUJIEEYRHOX-XNTDXEJSSA-N 351.456 4.678 10 40 FJCB O=C1/C(=C\c2c(Cl)cccc2Cl)SC(=S)N1Cc1ccco1 1212839 PQBMDZAOMRVAJC-NTUHNPAUSA-N 370.282 4.988 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 409175817 VFEFVOILOYCASW-ZQIUZPCESA-N 371.780 4.983 10 40 FJCB Cc1ccc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1Cl 58850472 UHAFDCHLQWDNLU-UHFFFAOYSA-N 374.893 4.857 10 40 FJCB Cc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1N1CCCC1 408901818 HJYHPDLTZUOVNZ-XMHGGMMESA-N 364.470 4.836 10 40 FJCB Cc1cc(C)cc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3F)c2C)c1 6780951 GGPXEQRGPAXECE-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(F)cc3)cc2)C1 260466260 KYEQDVCHTFVJCJ-DRRZOZHPSA-N 366.480 4.953 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccc(F)cc3)c2C)c(C)c1 6780953 XDBLQOTWSCJYAE-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 33908110 MPVZBXFKZGPPAN-JXAWBTAJSA-N 368.527 4.939 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2[C@H](C)CC1(C)C 208318650 UZMDJXZPVZSMSW-VGSSETLESA-N 358.507 4.773 10 40 FJCB O=C(O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)cc1 813137 GZYRFVLGNMMIEK-IIYDPXPESA-N 370.792 4.773 10 40 FJCB CC1CCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)CC1 1436442 MSRXGACJXACWNT-ZSOIEALJSA-N 355.290 4.696 10 40 FJCB Cn1c(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)cc2ccccc21 5374374 RBQZZLAGAUHLJM-GZTJUZNOSA-N 367.861 4.914 10 40 FJCB O=C1Nc2ccccc2/C1=C\c1cccn1-c1ccc(Br)cc1 12960755 DKMRFIKLCSOEBL-SFQUDFHCSA-N 365.230 4.733 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 409171160 YIQBLUYABPJBAK-GQIGUUNPSA-N 364.401 4.516 10 40 FJCB Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCC(C)CC3)c(O)ccc12 4340388 OWWVEEQKQVBIDO-UHFFFAOYSA-N 363.457 4.706 10 40 FJCB biogenic COc1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1OC 408721841 AGGYHRNZWVAENU-ATVHPVEESA-N 358.393 4.838 10 40 FJCB Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(O)cc2)cc1 408759020 WOTJRFWFBWIYLA-CPNJWEJPSA-N 360.438 4.597 10 40 FJCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44085605 YLJWKCMDOVTQGW-UHFFFAOYSA-N 371.893 4.954 10 40 FJCB O=C1c2ccccc2C(=O)C1(Cc1ccccc1)c1ccc2ccccc2n1 408734300 WNTSWDYGSDAZJP-UHFFFAOYSA-N 363.416 4.795 10 40 FJCB CN(C)c1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 1514292 FXTBDJDNPHEMMV-ZOQHSEBNSA-N 366.511 4.715 10 40 FJCB CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C)C4)N2)cc1 4092276 IRTDZPFJEUAKEZ-BFUOFWGJSA-N 369.534 4.573 10 40 FJCB Cc1ccc(S[C@@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13632874 KOJSZEZLKKIGRA-SFHVURJKSA-N 368.546 4.782 10 40 FJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)cc1 6538213 VZWJTKWVBYLXHW-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB Cc1ccc(C2=N/C(=C\c3ccccc3)C(=O)N2c2ccc(O)cc2)cc1 8575320 KGGWLLBYMVCZTL-QNGOZBTKSA-N 354.409 4.535 10 40 FJCB CCCn1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2O)c2ccccc21 33928707 ZGYRHYUWUWNCSG-AQTBWJFISA-N 373.412 4.558 10 40 FJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)c1OC 6963609 AJJPOGZQBIHWFX-BXTJHSDWSA-N 366.417 4.747 10 40 FJCB CCOc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 95912898 POSDVMPHONIUJV-NRFANRHFSA-N 371.440 4.936 10 40 FJCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1ccccc1Cl 3173576 JNBPTKUPEXYKDD-XNTDXEJSSA-N 360.891 4.611 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)cc1 6845855 DAALNLHYXJTXDP-VKJFTORMSA-N 355.821 4.873 10 40 FJCB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)n1 225671610 TYIYHQYSNDOUEL-WBVHZDCISA-N 368.550 4.674 10 40 FJCB CCCCCOC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1 1778866 XWERTZGEXLSSDI-UHFFFAOYSA-N 366.413 4.572 10 40 FJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/c1ccc(Br)s1 1179514 HIDZXXJVKOAMQW-NTEUORMPSA-N 361.264 4.625 10 40 FJCB CCN(CC)Cc1cc(Nc2ncnc3sc(C)c(C)c23)ccc1O 1560348 QRVKUAPIIZUAEE-UHFFFAOYSA-N 356.495 4.599 10 40 FJCB O=C1c2ccccc2N[C@H](c2cccc(O)c2O)N1c1ccc(Cl)cc1 7884552 ZEYCFGQHZCMUFR-IBGZPJMESA-N 366.804 4.522 10 40 FJCB CCc1ccc([C@@H](C(=O)C2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 100083485 SGHMQVUTLMJUFJ-NRFANRHFSA-N 368.432 4.645 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccccc3)cc2)C1 260467460 XTTXKZDLQBBJSH-DLBZAZTESA-N 353.535 4.971 10 40 FJCB CN(C)c1ccc([C@@H]2c3ccccc3C=CN2C(=O)c2ccccc2)cc1 2565279 QMVNBACYRVAZAO-HSZRJFAPSA-N 354.453 4.969 10 40 FJCB Cc1cc(C(=O)N2CCC[C@@]2(C)CCCO)c(C)n1-c1cccc(Cl)c1 95983125 YCRSUYGHHAPFCY-NRFANRHFSA-N 374.912 4.515 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccccc3OCC)=NC2=O)cc1 6870295 GKIWGVPVTJJYFH-QGOAFFKASA-N 368.458 4.566 10 40 FJCB O=C1N=C(N2CCCCCC2)S/C1=C\c1c(Cl)cccc1Cl 9188852 FNZKYNZQIXHQHC-UVTDQMKNSA-N 355.290 4.840 10 40 FJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1ccc(Cl)cc1Cl 408815580 HZVBJDUOBLCZES-NSIKDUERSA-N 367.257 4.725 10 40 FJCB Oc1ccc2ccccc2c1CN1CCN(c2ccccc2Cl)CC1 13098109 UKKVRDJZOUMNLH-UHFFFAOYSA-N 352.865 4.521 10 40 FJCB CCN(CC)Cc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc12 20391777 ZSKZTVTVFCZLEJ-UHFFFAOYSA-N 371.864 4.969 10 40 FJCB CN(CCc1cnccn1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 95458180 MKCMPEIXUAMIRF-OCOZRVBESA-N 360.421 4.598 10 40 FJCB COc1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc(OC)cc2)C4)cc1 1437743 GIKQATMOUAYDRA-UHFFFAOYSA-N 372.468 4.744 10 40 FJCB CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C)o3)SC2=S)cc1 5128040 VXCPLXWTNUZQLE-ATVHPVEESA-N 372.515 4.840 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(OC)cc3)SC2=S)cc1 7779109 VKPUOIGLBSHWEN-SFQUDFHCSA-N 355.484 4.663 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1C 9232393 JSIHOFDFHVMHJM-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(O)c3O)C2=C(O)C1 100630469 FWSQTTSFDNTTIZ-LJQANCHMSA-N 350.418 4.969 10 40 FJCB O=C(COC(=O)c1cccs1)Nc1ccc(/N=N/c2ccccc2)cc1 7026785 WTHLNRNZEQSNBL-QURGRASLSA-N 365.414 4.959 10 40 FJCB COc1ncnc2c1N=C1CC(C)(C)CC(NC3CCCCC3)=C1S2 20129997 AOBRJDJTKWQTDF-UHFFFAOYSA-N 358.511 4.617 10 40 FJCB CC(C)(C)C(=O)C[C@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 59500873 AEUAXGURGRYAJE-QGZVFWFLSA-N 368.860 4.832 10 40 FJCB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 409388697 WJKROIRBQRZHQI-RCBNVBEKSA-N 361.401 4.563 10 40 FJCB CN1C(=O)/C(=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S 1179051 DSGAEPGIAOFBAS-QPEQYQDCSA-N 353.827 4.570 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 58607880 XRXGOLLGHCSCOF-CVCOPPNTSA-N 366.511 4.715 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)c1 6860962 CEZINQCFCBEEEK-GZTJUZNOSA-N 353.468 4.603 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 408764259 LVRNOCDOHFLZCL-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1cccc2ccccc12 408819738 ROWVXCOHAFJFMW-UNOMPAQXSA-N 362.454 4.913 10 40 FJCB Cc1cc(/C=C2/SC(=S)NC2=O)cc(C)c1OCc1ccc(F)cc1 408853191 ZMJJJQYSZGIQCX-CXUHLZMHSA-N 373.474 4.510 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 6960320 CRFMYCOVXFREOX-AVYPCKFXSA-N 364.401 4.516 10 40 FJCB CCCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O 408600082 TXWGVBNEBMOVIV-LGMDPLHJSA-N 355.484 4.881 10 40 FJCB O=C1/C(=C/c2c(O)ccc3ccccc23)SC(=S)N1c1ccccc1 1005476 WZFPMRDERSDGKQ-PDGQHHTCSA-N 363.463 4.951 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3F)cc2)C1 224825202 YFRDVSHHPBSQGX-OAHLLOKOSA-N 374.887 4.574 10 40 FJCB CCOC(=O)c1cccc2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 217407968 SZAVPYCBCXMPCA-GJYPPUQNSA-N 364.401 4.598 10 40 FJCB COc1ccc2ccccc2c1/C=C1\SC(=S)N(CC(C)C)C1=O 409034037 GKFKTCWKLPESNY-YVLHZVERSA-N 357.500 4.706 10 40 FJCB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)o3)nc2c1 3909851 FZGRWVOHTWVIPG-UHFFFAOYSA-N 361.401 4.726 10 40 FJCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 6392418 RHXVPJFEJHXWIX-NVGCLXPQSA-N 371.780 4.983 10 40 FJCB Cc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)c1 7423245 MZBKUBUTMWLDMM-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB O=C1c2ccccc2N[C@H](c2ccc(N3CCCCCC3)cc2)N1C1CC1 8190047 WMAUIZYZCMFJDU-QFIPXVFZSA-N 361.489 4.796 10 40 FJCB CC(C)c1ccc2c(c1)[C@@H](N1CCN(C)CC1)Cc1cc(F)ccc1S2 19801748 GHDSDYSYYYIRMX-FQEVSTJZSA-N 370.537 4.945 10 40 FJCB COc1ccc(C2(Nc3ccc(C)cc3C)C(=O)c3ccccc3C2=O)cc1 6902069 RSVVEHZYISWPNH-UHFFFAOYSA-N 371.436 4.699 10 40 FJCB COc1cccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)c1OC 6963560 AJJPOGZQBIHWFX-AUSJPIAWSA-N 366.417 4.747 10 40 FJCB COc1ccc2ccc(O)c(CN3CCCc4cc(C)cc(F)c43)c2c1 84128954 VOVIFVPVGZBMDD-UHFFFAOYSA-N 351.421 4.954 10 40 FJCB Cc1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1Cl 225745525 XHRJZKFSNSJMID-UHFFFAOYSA-N 373.953 4.778 10 40 FJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2F)N1c1ccc(Cl)cc1 408752657 FWEJFUSVUKNXSE-LDADJPATSA-N 366.779 4.907 10 40 FJCB COc1ccc(N[C@@H](c2cccnc2)c2ccc3cccnc3c2O)cc1 888928 JCSSFFKTQAWGBS-FQEVSTJZSA-N 357.413 4.546 10 40 FJCB COc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)cc1 4704821 BTSAMZLTRSKFIL-WOJGMQOQSA-N 370.474 4.547 10 40 FJCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccc(C)cc2)cc1 408755785 WGFCAZSRYOCVAL-XSFVSMFZSA-N 374.465 4.900 10 40 FJCB Cc1cccc(C(=O)N2C(=O)/C(=C\c3ccc(Cl)cc3)SC2=S)c1 5619430 ZBSJNUBLBPVWTH-XNTDXEJSSA-N 373.886 4.690 10 40 FJCB Oc1ccccc1[C@@H]1CC(c2cccnc2)=N[C@H](c2ccc(Cl)cc2)N1 80325084 YSUSHDDSAGZFOT-FPOVZHCZSA-N 363.848 4.663 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 219274268 ICZNTQYUAREOSI-IBGZPJMESA-N 350.506 4.651 10 40 FJCB CCN(CCCNC(=S)Nc1cccc(Cl)c1)c1ccc(C)cc1 225732827 MVUUPHUHCRKJQC-UHFFFAOYSA-N 361.942 4.851 10 40 FJCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(Cl)cc2)N1c1ccc(O)cc1 408760085 RIQHCXLQOBMGQZ-XSFVSMFZSA-N 374.827 4.880 10 40 FJCB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 408997197 CLTHWFQDIBVDTE-GHVJWSGMSA-N 354.410 4.565 10 40 FJCB CCc1c(C)c2cc(Cl)c(O)c(CN3CCCC[C@@H]3CC)c2oc1=O 20393898 PFDDGUWIRTVZEM-ZDUSSCGKSA-N 363.885 4.787 10 40 FJCB C[C@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1 225695135 VPRDMOYWJAYVFX-ZDUSSCGKSA-N 361.461 4.613 10 40 FJCB Cc1cc(C)cc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c1 225415231 RLLUBIANBFAASQ-UHFFFAOYSA-N 353.535 4.780 10 40 FJCB Cc1ccc(O)c(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c1 19325145 QFFBSZRLFXPAMC-UHFFFAOYSA-N 358.485 4.717 10 40 FJCB CCN(CC)c1ccc(CNC(=O)C2(c3ccccc3)CCCC2)cc1 224871209 WOFPIEXMPFJKGA-UHFFFAOYSA-N 350.506 4.661 10 40 FJCB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225657485 RBPYSMDYAMQQII-KRWDZBQOSA-N 368.550 4.674 10 40 FJCB CCOc1ccc(/N=N/c2c(C)nn(C(=S)SC)c2OCC)cc1 17749877 UDKFGDOYVITXAG-ISLYRVAYSA-N 364.496 4.900 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(O)cc3)C2=O)cc1 408841888 IMKZVIRGVGLIBI-PXLXIMEGSA-N 368.436 4.844 10 40 FJCB CC(C)Oc1ccccc1/C=C1/SC(=S)N(c2ccccc2)C1=O 408902063 KEFBNSKRIUEIBQ-SFQUDFHCSA-N 355.484 4.880 10 40 FJCB O=S(=O)(Nc1c(Cl)c(Cl)c(O)c2ccccc12)c1ccccc1 3095732 HPWRHCSEPBKXMF-UHFFFAOYSA-N 368.241 4.653 10 40 FJCB Cc1ccc(/N=N/c2c(N)nn3c(-c4cccc([N+](=O)[O-])c4)ccnc23)cc1 8215790 JBIXCSSEFKHCJZ-GHVJWSGMSA-N 373.376 4.611 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@H]32)cc1 32121216 DAALNLHYXJTXDP-RKVPGOIHSA-N 355.821 4.873 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@H](C)Sc2ccc(C)cc2)cc1 224356951 FXZAYFMUIVGKMY-KRWDZBQOSA-N 356.535 4.638 10 40 FJCB CCN(CCNC(=S)Nc1ccc(C)c(Cl)c1)c1ccc(C)cc1 225793073 JASZCRHHSBMINT-UHFFFAOYSA-N 361.942 4.770 10 40 FJCB CCc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260770535 SVNWYDQZXCWGEM-RBUKOAKNSA-N 364.533 4.905 10 40 FJCB Cc1cccc(N[C@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)n1 1168744 JZQFHHSCGKQVTR-HXUWFJFHSA-N 356.429 4.549 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)C1 225690262 IIFZWWJHVGBYTI-HNNXBMFYSA-N 357.498 4.549 10 40 FJCB CN1C(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S 1220945 JLVUTPAUYUHEBS-JYRVWZFOSA-N 369.389 4.796 10 40 FJCB CCN(CC)c1ccc([C@H]2Nc3c(C)cccc3-c3cc(C)nn32)c(O)c1 4458817 RYGXXXSQKZWWES-QFIPXVFZSA-N 362.477 4.691 10 40 FJCB COc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccccc2)cc1 27521321 XBECAZPOXVNAIH-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB CCOC(=O)[C@H](C(C)C)n1c(C)ccc1-c1ccc(Br)cc1 95951457 XBHKWGABOLDMOW-KRWDZBQOSA-N 364.283 4.986 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 111441002 QVAKCQCZQVIVJD-GPMSIDNRSA-N 365.389 4.946 10 40 FJCB O=C(O)c1ccccc1N[C@H](c1ccccc1)c1ccc2cccnc2c1O 3055327 NISNWVZYKYOKOX-HXUWFJFHSA-N 370.408 4.840 10 40 FJCB in-vitro CCN1/C(=C2\SC(=S)N(c3ccccc3)C2=O)C=Cc2ccccc21 13302012 WYWQVJWUZPRDRQ-ZCXUNETKSA-N 364.495 4.816 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 33318226 DRBXVFBACMPALE-JXAWBTAJSA-N 352.459 4.774 10 40 FJCB CCOc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 225415867 GVFZOHAITVRMQP-UHFFFAOYSA-N 369.534 4.562 10 40 FJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccccc2)N1c1ccc(F)cc1 408761730 HAYRTEGSJSQAIS-XSFVSMFZSA-N 360.363 4.799 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1 6220978 FSBDTSUBJZREMF-IGCXYCKISA-N 371.780 4.983 10 40 FJCB C[C@H](NC(=O)CCc1ccccc1F)c1ccc(N2CCC[C@@H](C)C2)cc1 224965528 RWTOMQYLITXHSN-MSOLQXFVSA-N 368.496 4.872 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)N=C2c2ccccc2)cc1 408843814 SLUXDEXZYPWLJP-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(C(C)C)cc3)c2C)C1=O 409240988 MQWJAVZRMJUNBA-DEDYPNTBSA-N 365.477 4.520 10 40 FJCB CN(C)c1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1 12616619 PZTOHIDUEKYKFR-UHFFFAOYSA-N 363.486 4.670 10 40 FJCB COc1ccccc1N[C@@H](c1cccnc1)c1ccc2cccnc2c1O 1448885 RTAVGXLOBDXKDJ-FQEVSTJZSA-N 357.413 4.546 10 40 FJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccc(Cl)c1 408892257 HSLQLFFLWFEDFL-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB Cc1cc(C(=O)OCC(=O)c2cc3ccccc3o2)c(C)n1-c1ccccc1 2632122 QWWAPHWAIVRTHP-UHFFFAOYSA-N 373.408 4.880 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4854884 KPXLFBDJKVKOJT-YZVOILCLSA-N 351.362 4.638 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)cc1 6780976 HJSSZLZZIISXJU-UHFFFAOYSA-N 366.848 4.877 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)c2ccccc21 13778163 AVSJFKAMNNQTJQ-MFOYZWKCSA-N 368.458 4.723 10 40 FJCB COC(=O)c1cc(C)n(-c2ccc(Br)cc2C(C)C)c1C 223709453 KSINZDMJQUDYDQ-UHFFFAOYSA-N 350.256 4.767 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260577837 NKZXSDJFVYRYDV-AZUAARDMSA-N 364.533 4.960 10 40 FJCB CC(C)CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S 409038331 FHJBTRHCLKXVAG-WCIBSUBMSA-N 362.303 4.556 10 40 FJCB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccccc2)cc1 9694745 ZVBLGPQSPOJXDF-LTGZKZEYSA-N 354.409 4.530 10 40 FJCB COc1cc(-c2csc(-c3ccc(N(C)C)cc3)n2)cc(OC)c1OC 12551133 AIWNHKODGOAAPU-UHFFFAOYSA-N 370.474 4.569 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 218808689 XGLQADPPIWOGFA-FQEVSTJZSA-N 364.533 4.960 10 40 FJCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 408876169 NHCYBQOVSNMGPX-KEYYUXOJSA-N 370.792 4.773 10 40 FJCB O=[N+]([O-])c1ccc2[nH]c(/C(Cl)=C/c3ccc(N4CCCC4)cc3)nc2c1 31644196 BAJPXWQGIQIMPM-WJDWOHSUSA-N 368.824 4.808 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3)cc2)C1 218172193 ZDXHKCPMWGGKNP-RTBURBONSA-N 350.506 4.733 10 40 FJCB Cc1ccc2c(c1)-c1cc(C)nn1[C@H](c1cc(Br)ccc1O)N2 627839 DYUWRYKSRFWFCS-GOSISDBHSA-N 370.250 4.607 10 40 FJCB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)s2)c(C)n1-c1ccccc1 3302487 XQZCTHDXYHIGHI-UHFFFAOYSA-N 373.861 4.849 10 40 FJCB CC1(C)CC(=O)[C@H]2[C@H](C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 5011712 FFDVJTDNVGIUNO-SXLOBPIMSA-N 365.433 4.547 10 40 FJCB COc1ccc(/C=C/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1 408968111 ZMFDSBFSYJFJHZ-ZUZMZGHOSA-N 353.468 4.657 10 40 FJCB CCc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)cc1 225416106 RDXLYFXDHIMSSS-UHFFFAOYSA-N 353.535 4.726 10 40 FJCB CCCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3C)C1=O 208441097 LDTMROMFYCLSIB-BOPFTXTBSA-N 356.491 4.765 10 40 FJCB O=C1N=C(Nc2cccc(Br)c2)S/C1=C/c1cccs1 5547574 OLTNSVNMEUAJJM-XYOKQWHBSA-N 365.277 4.593 10 40 FJCB COc1cccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)c1 9188596 KYLQOEXTGOKUOJ-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB Cn1cccc1/C=C1\SC(=S)N(c2ccc3ccccc3c2)C1=O 13786949 POHVOKJSOMIKCF-ATVHPVEESA-N 350.468 4.584 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 5551946 CSNOXLJHHHGLQK-WJDWOHSUSA-N 370.455 4.563 10 40 FJCB CCOc1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1Cl 223097366 OCOCAQSFWVTEQP-UHFFFAOYSA-N 372.896 4.659 10 40 FJCB COC(=O)c1sc2nc3c(c(-c4ccccc4Cl)c2c1N)CCCC3 2195961 VZBOPAUCPHFHSE-UHFFFAOYSA-N 372.877 4.864 10 40 FJCB COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)nc2cccc(C)n12 35616046 PFMFGFOTLBPTMN-UHFFFAOYSA-N 361.401 4.741 10 40 FJCB CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 223415374 GLSLFVOPFUFNHI-QGZVFWFLSA-N 366.505 4.560 10 40 FJCB CCN(CCNC(=S)Nc1cccc(OC(C)C)c1)c1ccc(C)cc1 225794122 YHCXIWFOHSUULW-UHFFFAOYSA-N 371.550 4.595 10 40 FJCB CC(C)CC1=NN2C(=N)/C(=C/c3cccc4ccccc34)C(=O)N=C2S1 4170655 AGXFZUSKLPRYHV-ALGNWURXSA-N 362.458 4.505 10 40 FJCB O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)ccc1Cl 20704218 RVJDIPOXYUUUKW-QFSBIZTOSA-N 371.780 4.983 10 40 FJCB CCc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)c3ccccc23)cc1 1205762 LJLUKZWDAZRVTE-UHFFFAOYSA-N 361.850 4.562 10 40 FJCB O=C(COc1ccccc1)N(Cc1ccccc1O)c1ccccc1Cl 3190359 LPZGBRYJXJPIDI-UHFFFAOYSA-N 367.832 4.658 10 40 FJCB Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(Cl)cc1 108162348 FZVDWXXLEKSQSI-DHDCSXOGSA-N 362.907 4.579 10 40 FJCB CCN(CC)c1ccc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4092278 IRTDZPFJEUAKEZ-DJJJIMSYSA-N 369.534 4.573 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(Cl)cc1 16160993 PRJSRJOEHAXAIF-ZHZULCJRSA-N 361.832 4.937 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260455458 SBMGHVSBFFSPPL-PXNSSMCTSA-N 364.533 4.960 10 40 FJCB CCN(CC)c1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)c(OC)c1 408744656 ZDYRQCVYFCTQLC-CPNJWEJPSA-N 363.457 4.831 10 40 FJCB CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 5011714 FFDVJTDNVGIUNO-HOJAQTOUSA-N 365.433 4.547 10 40 FJCB CC(C)CCOc1ccc(/C=C2/SC(NC3CCCC3)=NC2=O)cc1 5858670 XFDLRBHIUPFPMU-QGOAFFKASA-N 358.507 4.614 10 40 FJCB CN(C)c1ccc(/C=C2/SC(Nc3cccc4ccccc34)=NC2=O)cc1 6871471 QDJWXJOSVDLZKL-XSFVSMFZSA-N 373.481 4.988 10 40 FJCB CCc1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1 225733292 RSBMJHZIYREUBJ-UHFFFAOYSA-N 355.551 4.760 10 40 FJCB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N(CC)CC)cc1 225846413 IBYYPNDZCLLUAJ-FQEVSTJZSA-N 374.912 4.660 10 40 FJCB CCc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 20033470 FAXRCUZTAIRCDA-LUQKVYGDSA-N 350.418 4.992 10 40 FJCB Cc1ccc(-c2csc(SCC(=O)c3ccc(O)c(O)c3)n2)cc1 23483662 GZCBZSNHYYYJPS-UHFFFAOYSA-N 357.456 4.505 10 40 FJCB CC(C)COC(=O)NCCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 409002498 NVIWVEBGWKLDQV-WCWDXBQESA-N 368.437 4.813 10 40 FJCB O=C1N=C(Nc2ccc(Cl)cc2Cl)S/C1=C\c1ccc(O)cc1 5766492 ZJJNXRVEFGDWTA-AUWJEWJLSA-N 365.241 4.781 10 40 FJCB CC(C)N1c2ccc(/C=C3/SC(=O)N(C)C3=O)cc2[C@@H](C)CC1(C)C 223550345 GCBYHQNNEJBOJB-VZWMTCDZSA-N 358.507 4.853 10 40 FJCB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(N(CC)CC)cc1 225846396 IBYYPNDZCLLUAJ-HXUWFJFHSA-N 374.912 4.660 10 40 FJCB Cc1cc(C)cc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c1 409375188 GWMLHVJWSXMXHG-UHFFFAOYSA-N 363.457 4.868 10 40 FJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 871821 FMQCSUOOUCKXTD-MRUHUIDDSA-N 364.401 4.633 10 40 FJCB CCOc1ccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)cc1 947308 YKIYGNLLHIJAIA-QFIPXVFZSA-N 371.440 4.936 10 40 FJCB Cc1cc(C(=O)COC(=O)c2cccc(Cl)c2)c(C)n1-c1ccccc1 7781521 MIOCITWAJXEHRV-UHFFFAOYSA-N 367.832 4.787 10 40 FJCB O=S(=O)(O)c1ccc2c(/N=N\c3ccccc3Cl)c(O)ccc2c1 104366654 VCNCMBFHYUOYJG-HNENSFHCSA-N 362.794 4.861 10 40 FJCB Cc1ccc(C)n1-c1ccsc1C(=O)Nc1ccc2oc(=O)ccc2c1 84191480 ONCZYWQLCQUPMZ-UHFFFAOYSA-N 364.426 4.514 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@@H]2C=CC[C@@H]21 409167951 KLWZCLWOLVQUNZ-VGTOOOLASA-N 369.804 4.563 10 40 FJCB Cc1ccc(C)n1-c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 15152122 BEOTWLIASIPTRN-UHFFFAOYSA-N 373.861 4.849 10 40 FJCB c1csc([C@H](Cc2ccsc2)NCc2ccc(N3CCCC3)cc2)n1 19334660 GDWGGVBHIZRXHD-IBGZPJMESA-N 369.559 4.878 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)c1 35040928 OCDKCTCVYBOJNQ-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB Cc1cccc(-n2c(C)cc(C(=O)CSc3nnc(C)s3)c2C)c1 44030037 MAJLVPZJTUMCLT-UHFFFAOYSA-N 357.504 4.537 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)SC1=S 59201027 ROEZWIDMZCCKJP-BOPFTXTBSA-N 373.474 4.626 10 40 FJCB COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 38567168 UDYHMAFBLLUKCT-SUNYJGFJSA-N 355.821 4.873 10 40 FJCB COc1ccc([C@@H]2Nc3ccccc3N[C@H]3CC(C)(C)CC(=O)[C@H]32)cc1 5011718 FYAQZPYDZGWNCA-JBACZVJFSA-N 350.462 4.648 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 6275933 QGZNUDOKHNMEFY-VCBZYWHSSA-N 351.362 4.638 10 40 FJCB O=C1S[C@@H](Nc2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 12112972 ADFMLDYMWMWPPL-QGZVFWFLSA-N 352.390 4.617 10 40 FJCB O=C(Nc1cccc2cccnc12)N(Cc1ccco1)Cc1ccccc1O 47377052 BYGUZWTZUURBNK-UHFFFAOYSA-N 373.412 4.768 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 408840731 FHCAUFCXKNJNEE-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c1 5235967 VPESNAGKSQKXHU-YBEGLDIGSA-N 365.483 4.586 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1C 6780944 JKAPAIJVTSMZMA-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)c1 5371860 GVPUNSGZECSFOW-YBEGLDIGSA-N 373.886 4.948 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@H]3C=CC[C@@H]32)cc1 38567170 UDYHMAFBLLUKCT-DEYYWGMASA-N 355.821 4.873 10 40 FJCB O=C(CCC1CCCCC1)Nc1cccc2c1C(=O)c1ccccc1C2=O 5685346 FJNFPTBHDXBRTQ-UHFFFAOYSA-N 361.441 4.761 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)c1 33888949 FSBDTSUBJZREMF-DCGLDWPTSA-N 371.780 4.983 10 40 FJCB CCCC1=NN(c2ccc([N+](=O)[O-])cc2)C(=O)/C1=C/c1c[nH]c2ccccc12 100163370 BCYDMJLVYUQJSX-LDADJPATSA-N 374.400 4.662 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 223022027 ROEMCLANHDLHNP-MRXNPFEDSA-N 374.912 4.578 10 40 FJCB Cc1cc(C(=O)OCC(=O)c2cccc(Cl)c2)c(C)n1-c1ccccc1 3308003 SOPCOEOXTZXODK-UHFFFAOYSA-N 367.832 4.787 10 40 FJCB CCCc1cc(=O)oc2c(CN3CCCC[C@@H]3CC)c(O)c(Cl)cc12 20332023 YVJZCSTYCGPQEY-AWEZNQCLSA-N 363.885 4.869 10 40 FJCB CCOc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 409082679 SHSQDWWZZRPNPQ-OQKWZONESA-N 368.436 4.920 10 40 FJCB COc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1Cl 260763999 JHNFEEWJEQXUGA-HNNXBMFYSA-N 372.896 4.515 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)c1 408757054 ZKGUPRDWVUUVND-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CCOc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 871813 MGMWGGWTLFZCCQ-MDOVXXIYSA-N 366.417 4.829 10 40 FJCB COc1ccccc1-n1c(C)cc([C@@H](C[N+](=O)[O-])c2ccc(C)cc2)c1C 3195598 YISQAVPOCUQVPK-FQEVSTJZSA-N 364.445 4.820 10 40 FJCB CCCCCCN1C(=O)/C(=C\Nc2ccc(OCC)cc2)SC1=S 5021803 VJIGINAGIOYYFC-DTQAZKPQSA-N 364.536 4.779 10 40 FJCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1 5375096 UTYXFCMGJPVHCK-DHDCSXOGSA-N 359.859 4.558 10 40 FJCB CSc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1 408971504 GRNVLRWVGFLPTP-PTNGSMBKSA-N 362.376 4.757 10 40 FJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc2c(c1)OCO2 634928 JRJVRAHKNYCNRN-UHFFFAOYSA-N 356.219 4.944 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 33907952 GNLDVBCDQWBZGW-JXAWBTAJSA-N 351.475 4.615 10 40 FJCB Cc1cccc(C)c1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 58850372 ZJQHPIDBKAUEIP-UHFFFAOYSA-N 354.475 4.512 10 40 FJCB CCOc1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(OC)c([N+](=O)[O-])c1)N2 408736898 CDIWAYIZILMWTM-XFQAVAEZSA-N 366.417 4.829 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@H]1CC=C[C@H]21 4714147 CUIOJCKYAHLGCJ-ZQIUZPCESA-N 370.246 4.974 10 40 FJCB CCCCN1C(=O)/C(=C/C=C2/C=Cc3ccccc3N2CC)SC1=S 100536895 XYFDXAHWUKUJQT-QKMFDWEGSA-N 370.543 4.968 10 40 FJCB Cc1c(C)c2ccc(O)c(CN3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O 100796758 DOMFEXXCUQKJJT-QRQCRPRQSA-N 355.478 4.516 10 40 FJCB biogenic CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3)cc2)CC1 218172020 QDKSSJOKEQNMRH-LJQANCHMSA-N 350.506 4.733 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccc(F)cc2)cc1 408761222 DBBFROWSBNEZFY-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB Cc1ccsc1/C=C1\SC(=S)N(c2ccc(N(C)C)cc2)C1=O 9188762 DSAVQNOXKVFCKE-GDNBJRDFSA-N 360.529 4.528 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)c2ccccc21 13602826 AEJKOWMSMUMHQD-BOPFTXTBSA-N 350.468 4.584 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(F)cc3)N=C2c2ccccc2)cc1 4836948 OLGQIMKFXRDERT-QNGOZBTKSA-N 356.400 4.969 10 40 FJCB Cc1ccc(Cl)cc1N1CCN(Cc2c(O)ccc3ccccc23)CC1 25460785 VVKAHTZKCKBBEJ-UHFFFAOYSA-N 366.892 4.829 10 40 FJCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3cccc4ccccc34)C2=O)cc1 112118920 WYABTTIOTRVIIH-JCMHNJIXSA-N 371.440 4.957 10 40 FJCB CCOc1ccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)cc1 60510602 YJNCSSJLCSJXLD-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 100828075 VXYQVSHWFNVJAE-KEYYUXOJSA-N 370.246 4.974 10 40 FJCB CCCN(CCC)c1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 3338322 DEMTTXAAQUTUST-LTGZKZEYSA-N 362.473 4.966 10 40 FJCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@H]3C=CC[C@H]32)c1 6392420 RHXVPJFEJHXWIX-XWCIJXRUSA-N 371.780 4.983 10 40 FJCB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C)cc1 7423248 BJFYIHAETUYBDR-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB CCOc1cc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc(Cl)c1O 33739946 ZBPFQGMWDSAZSA-GDNBJRDFSA-N 374.849 4.527 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)C1=O 409100351 VITXFSJBOJTBGI-WOJGMQOQSA-N 354.475 4.767 10 40 FJCB Cc1ccc(C2=C/C(=C/c3ccc(-c4ccccc4C(=O)O)o3)C(=O)O2)cc1 4738528 QHYFKHHPHCRQKR-VBKFSLOCSA-N 372.376 4.935 10 40 FJCB CCN(CC)c1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)o1 408903217 VWIZQGIYCNCFEU-NTCAYCPXSA-N 358.488 4.532 10 40 FJCB Oc1c(Br)cc(Br)cc1CNc1ccccc1 409109510 GKLMBMCQIVNFEH-UHFFFAOYSA-N 357.045 4.529 10 40 FJCB CN1C(=O)/C(=C\c2cc(/N=N/c3ccccc3)ccc2O)SC1=S 5201111 QVELRKGNIMJGHK-YYWHJSAJSA-N 355.444 4.639 10 40 FJCB Cc1cc(C)cc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)c1 6266256 BLDSCTUFCXCSBR-YVLHZVERSA-N 352.459 4.708 10 40 FJCB O=C1NC(=S)S/C1=C\c1ccccc1Sc1ccc(Cl)cc1 13602862 YRZLXCJMKYAYHA-ZROIWOOFSA-N 363.916 4.980 10 40 FJCB COc1ccc(C)cc1N[C@@H](c1ccncc1)c1ccc2cccnc2c1O 96298889 FWHHREVSKQPYBZ-NRFANRHFSA-N 371.440 4.854 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 218808733 XGLQADPPIWOGFA-HXUWFJFHSA-N 364.533 4.960 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 58929102 COTOOUWIOBSCKX-IGCXYCKISA-N 371.780 4.983 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1Br)N2 4172162 YIFKTZLGCKFXQX-FHSNZYRGSA-N 370.246 4.974 10 40 FJCB Cc1cc(C)cc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 7779108 GJELNIROMOZOLY-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB CCOc1cccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)c1 225734260 NEZNLMKTFWIMKT-UHFFFAOYSA-N 371.550 4.597 10 40 FJCB Cc1ccc([C@@H](NC(=O)c2ccccc2)c2ccc3cccnc3c2O)cc1 972739 KISDJXZVLXBGQQ-OAQYLSRUSA-N 368.436 4.768 10 40 FJCB COc1cc2ccccc2cc1C(=O)NCc1ccc(N2CCCCC2)cc1 216417339 QJVFMHCVTIWCAN-UHFFFAOYSA-N 374.484 4.769 10 40 FJCB O=C1[C@@H]2[C@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 409171946 FGHKDGGZSUBBCZ-MRVDJILPSA-N 369.424 4.804 10 40 FJCB Cc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(N(C)C)cc2)c1 668894 AKXCXPAUHXSXNC-JOCHJYFZSA-N 357.457 4.832 10 40 FJCB O=C1c2ccccc2N[C@H](c2cc(O)c(O)c(Cl)c2)N1c1ccccc1 7363912 JTTWKZNHVIUHBH-IBGZPJMESA-N 366.804 4.522 10 40 FJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c(C)c1 225693616 QXZPWTIZJJDJSE-KRWDZBQOSA-N 353.535 4.951 10 40 FJCB C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 225719546 ZZACWPFUHURBGJ-QGZVFWFLSA-N 354.469 4.626 10 40 FJCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1c1ccccc1Cl 784136 PAVURBXBXXDNIX-LJQANCHMSA-N 366.804 4.522 10 40 FJCB O=[N+]([O-])c1ccc(N2C=C3CCCC4=NN(c5ccccc5)S2=C34)cc1 17118457 ORUMAPVSIKWSDF-UHFFFAOYSA-N 364.430 4.630 10 40 FJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(OCC)cc1 112116914 MPLRTEKQDWZRSI-PGMHBOJBSA-N 363.461 4.974 10 40 FJCB CCN(CC)Cc1cc(Oc2ccc(O)c(CN(CC)CC)c2)ccc1O 1594810 DQVKKAGWZLCNID-UHFFFAOYSA-N 372.509 4.574 10 40 FJCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(Cl)c(Cl)c1 54164429 FAWWYAXNUDBDMC-SDQBBNPISA-N 355.271 4.727 10 40 FJCB CCN(CCCNC(=S)Nc1ccccc1Cl)c1ccc(C)cc1 225732778 WJIXXIMRFGJGIS-UHFFFAOYSA-N 361.942 4.851 10 40 FJCB CCN(CCNC(=S)Nc1ccc(OC(C)C)cc1)c1ccc(C)cc1 225794088 AOPWNYFJZUHDDU-UHFFFAOYSA-N 371.550 4.595 10 40 FJCB COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccccc2)cc1Cl 678185 HDVKGLSGYRJSCJ-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3cn(C)c4ccccc34)S2)c1 8410991 YANXCVOANQQJBD-ODLFYWEKSA-N 361.470 4.878 10 40 FJCB CC(C)c1ccc2c(c1)[C@H](N1CCNCC1)Cc1ccc(F)cc1S2 19802323 AQGYXBXZRINPFW-LJQANCHMSA-N 356.510 4.603 10 40 FJCB O=C(O)c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc3c(c1)OCO3)N2 96006228 YHGZJYFPCHEVKE-VFVRVIDISA-N 369.804 4.593 10 40 FJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)[C@H]1CC=C[C@H]21 4132392 SGPUZLGKSHUKSR-BXWFABGCSA-N 354.381 4.959 10 40 FJCB COc1ccc(Sc2ccc(C)c3c2C(=O)c2ccccc2C3=O)cc1 4995991 XFHINWMGZOSCGZ-UHFFFAOYSA-N 360.434 4.930 10 40 FJCB O=C1N=C(Nc2ccc(F)cc2)S/C1=C\c1ccc(-c2ccccc2)[nH]1 16492886 QWTHPICIDSLKQU-PDGQHHTCSA-N 363.417 4.903 10 40 FJCB CCOc1cc([C@@H]2Nc3ccc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)ccc1OC 408736304 PKMILQLXPSKRHQ-XFQAVAEZSA-N 366.417 4.829 10 40 FJCB CCN1C(=O)/C(=C/c2cccc(OCc3cccc(C)c3)c2)SC1=S 1183494 ZJGDPAIKRTWSSJ-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\NC12CC3CC(CC(C3)C1)C2 5609586 XDHOGABXVUNVIZ-UNOMPAQXSA-N 369.896 4.505 10 40 FJCB O=C(NCc1ccc(N2CCCC2)cc1)c1ccc(-c2ccccc2)cc1 13646554 PSDBSALSSUVJGM-UHFFFAOYSA-N 356.469 4.884 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 409053499 YWVTVTCAYZLFSF-PDGQHHTCSA-N 353.512 4.959 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 4675472 XIBCVKVJXSINML-BIENJYKASA-N 365.389 4.946 10 40 FJCB O=S(=O)(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccccc1 33793013 WZPUFGKWFFGKGH-UHFFFAOYSA-N 366.467 4.764 10 40 FJCB Cc1ccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=S)cc1 4048241 HXIMVYLLHUNFCS-ICFOKQHNSA-N 370.524 4.771 10 40 FJCB COc1ccc(-c2nc(Nc3cc(OC)ccc3OC)sc2C)cc1 5739564 XNXAXGWQOLISLZ-UHFFFAOYSA-N 356.447 4.888 10 40 FJCB CCN(CC)Cc1c(O)c(Cl)cc2c(-c3ccccc3)cc(=O)oc12 20227778 TTZZJUJREVMTAA-UHFFFAOYSA-N 357.837 4.661 10 40 FJCB O=C(Cc1ccc(-c2ccccc2)cc1)NCc1ccc(N2CCCC2)cc1 224978462 KJFDJDLVWSYRJU-UHFFFAOYSA-N 370.496 4.813 10 40 FJCB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 225657323 BASWQWGADDMXMB-QGZVFWFLSA-N 368.550 4.674 10 40 FJCB O=C1OC2(CCCC2)OC(=O)C1=Cc1c2ccccc2cc2ccccc12 3771147 JPMPBTMWWDXCRY-UHFFFAOYSA-N 358.393 4.747 10 40 FJCB COc1ccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)cc1 4700533 SGWPTUCLAYYKOO-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 5371855 VMDYNYOZIPQYAO-YBEGLDIGSA-N 373.886 4.948 10 40 FJCB COc1cc(C)c(C[C@@H]2SC(=S)N(CC(C)C)C2=O)cc1C(C)C 8333884 KWPAMPIMNRGNLP-KRWDZBQOSA-N 365.564 4.554 10 40 FJCB CN(CCCNC(=S)Nc1cccc(C(F)(F)F)c1)c1ccccc1 225747641 AKZRILJRBXTRMR-UHFFFAOYSA-N 367.440 4.518 10 40 FJCB C=COC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N 1436319 YTXDUMHFTSXXOT-UHFFFAOYSA-N 364.348 4.865 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 20705020 KKSNAODMDPWUAF-GPMSIDNRSA-N 351.362 4.638 10 40 FJCB O=C1/C(=C/c2ccc[nH]2)SC(=S)N1c1ccc(Cl)cc1Cl 409329696 HPCOMRMBDQBFOI-GHXNOFRVSA-N 355.271 4.727 10 40 FJCB CSc1cccc(N2C(=O)/C(=C\c3cccc(O)c3)SC2=S)c1 409340592 ZVOCJMVXRXYUKP-OQLLNIDSSA-N 359.497 4.520 10 40 FJCB CCN1/C(=C2\SC(=S)N(c3ccccc3)C2=O)Sc2ccccc21 13306979 TUEWZXCOSMTOOD-BMRADRMJSA-N 370.524 4.853 10 40 FJCB COc1ccc2ccc(O)c(CN3CCCc4cc(F)cc(F)c43)c2c1 83970357 PGNPFJHPWRVJLD-UHFFFAOYSA-N 355.384 4.785 10 40 FJCB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)n1 225657420 HDKKXLBZAONTRS-KRWDZBQOSA-N 368.550 4.674 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(F)cc3)C2=O)cc1 408843459 MUFPTRRWNLTZIO-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccccc1Cl 408972481 COSUEIQXLFFMFC-LGMDPLHJSA-N 373.880 4.735 10 40 FJCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2ccccc2)cc1 5558674 VZMRZFYUOBXKMF-XMHGGMMESA-N 360.438 4.591 10 40 FJCB Cc1csc(=O)n1CCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1 30810086 SAQXWOBXUMBMKE-QURGRASLSA-N 366.446 4.662 10 40 FJCB CCOc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225695717 PFZQUTCBAKQKRG-MRXNPFEDSA-N 369.534 4.733 10 40 FJCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccccc1 22228595 BMYJFKHXIQBRRS-UHFFFAOYSA-N 351.475 4.609 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409174830 PHLXDDUDPABGMT-FHSNZYRGSA-N 370.792 4.773 10 40 FJCB Oc1cc2c(cc1CN1CCC[C@H]1c1nc3ccccc3s1)CCC2 10109626 DLHMAOVLJMEGMM-SFHVURJKSA-N 350.487 4.828 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)cc1C 5375072 RCUQHQOVHRYVFC-YVLHZVERSA-N 353.468 4.522 10 40 FJCB Cc1nc2ccccc2nc1CNc1ccccc1C(=O)c1ccccc1 16265268 QFOANXMREONSTQ-UHFFFAOYSA-N 353.425 4.781 10 40 FJCB CC1=CN2C(=N)/C(=C\c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 33333402 NFZAFRCHINXLPB-HOMCDIFHSA-N 369.833 4.767 10 40 FJCB CN1/C(=C2/SC(=S)N(c3ccc(F)cc3)C2=O)Sc2ccccc21 4105604 XOEHYXWVTUIONS-PEZBUJJGSA-N 374.487 4.602 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccc(O)cc2)c1 408763381 NLNKEGCBFFKXNZ-KGENOOAVSA-N 372.399 4.674 10 40 FJCB COc1ccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 1103239 KIAYKWAWZGWBJS-IGWPVBGESA-N 355.484 4.658 10 40 FJCB Cc1ccc(C)n1-c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1 7982072 JPJKPBFOVHDJLT-UHFFFAOYSA-N 373.412 4.501 10 40 FJCB S=C(NCc1ccc(N2CCCCC2)cc1)Nc1ccccc1Cl 225415397 PPKIIBLXNDBGAT-UHFFFAOYSA-N 359.926 4.817 10 40 FJCB Cc1cccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2F)c1 408759499 GDCYKWNWNMPGGL-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 409170484 VYUFFIRRACOMFD-GUXCAODWSA-N 364.401 4.516 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 59267183 PYUAYCFNJSPPJH-GUXCAODWSA-N 350.418 4.992 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 223274993 DMYNSOSNLXAALC-GOSISDBHSA-N 366.505 4.731 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=O)CCc3ccccc3)cc2)C1 260467481 ZDXHKCPMWGGKNP-OALUTQOASA-N 350.506 4.733 10 40 FJCB CC1=NN(c2cccc(C(F)(F)F)c2)C(=O)/C1=C/c1c[nH]c2ccccc12 104968620 JACJDQWPKOKHST-RQZCQDPDSA-N 369.346 4.993 10 40 FJCB Cc1ccccc1OCCn1c(CCC(=O)O)ccc1-c1cccs1 409376649 CFIIXGJSKOYLCF-UHFFFAOYSA-N 355.459 4.621 10 40 FJCB Cc1ccc(S(=O)(=O)Nc2cc(C)c(O)c(Cl)c2C(C)C)cc1 947563 SUFSEAVZFFFBAM-UHFFFAOYSA-N 353.871 4.587 10 40 FJCB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260737627 MOZJIBAXFXDPDT-RDJZCZTQSA-N 368.550 4.674 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(Br)cc3)S2)c1 5784576 QBYHJYGJBUYBPD-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB Cc1ccc2[nH]cc(/C=C3\SC(=S)N(c4ccccc4)C3=O)c2c1 19798335 BZNVJTYUNSSKRH-YVLHZVERSA-N 350.468 4.882 10 40 FJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 250853926 FNZYWIBMBPUFFA-VBHSOAQHSA-N 371.780 4.983 10 40 FJCB COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccc(C)cc1 408840622 DRVIUEWGYPGORB-XMHGGMMESA-N 374.465 4.900 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)s3)SC2=S)cc1 9232354 WJCFCDCQEDDAGU-XNTDXEJSSA-N 361.513 4.861 10 40 FJCB Cc1cc(C)cc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225693718 GBFBVKDOOCQSFN-KRWDZBQOSA-N 353.535 4.951 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 4859483 VXYQVSHWFNVJAE-VBQJREDUSA-N 370.246 4.974 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1ccc(Cl)c(Cl)c1 95471528 KXBAXUJABJQCMC-ZROIWOOFSA-N 364.207 4.851 10 40 FJCB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(OC)cc1)C3 2158670 XWTNOMKVUKITFT-UHFFFAOYSA-N 365.429 4.501 10 40 FJCB biogenic O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(Oc2ccccc2)c1 4823236 OCIRYVFJAHBFFX-CYVLTUHYSA-N 364.470 4.935 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c2ccccc21 13758206 DOFWJBWGMYQTJE-YVLHZVERSA-N 368.458 4.723 10 40 FJCB Cc1ccc(/N=N\c2c(O)ccc3cc(S(=O)(=O)O)ccc23)c(C)c1 104366812 LECLGLNXZIZWEF-VXPUYCOJSA-N 356.403 4.824 10 40 FJCB CCCCCCOc1ccc(/C=C2/SC(=S)NC2=O)cc1OCC 206939541 ZVCRFIRZAKJJMK-FOWTUZBSSA-N 365.520 4.533 10 40 FJCB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N(CC)CC)cc1 223507197 FYHSNKZSHJHRQF-OAQYLSRUSA-N 368.521 4.623 10 40 FJCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@@H]1CC=C[C@@H]21 409163772 XQRVQMVKPHOHRY-FMTVUPSXSA-N 355.821 4.873 10 40 FJCB CCCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(C)C1=O 409351228 ZPSXQYHPBOQSTC-SFQUDFHCSA-N 357.500 4.850 10 40 FJCB CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccccc2)cc1 3894182 RGQTUMLFOYEJRU-SAPNQHFASA-N 367.452 4.622 10 40 FJCB COc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccccc1 4551320 NPKHSKHAKJMNPJ-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB CN(C)c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 1198471 OQCQLIHCUJYMPP-LFIBNONCSA-N 358.850 4.647 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1ccc(Br)cc1)[C@@H]1CC=C[C@H]21 4714149 CUIOJCKYAHLGCJ-VBQJREDUSA-N 370.246 4.974 10 40 FJCB COc1cccc(CN2N=C(c3ccccc3)C[C@H]2c2ccccc2)c1O 4725087 GOOOPUVJMJEMKA-NRFANRHFSA-N 358.441 4.752 10 40 FJCB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225657505 RBPYSMDYAMQQII-QGZVFWFLSA-N 368.550 4.674 10 40 FJCB Cc1ccc(NCN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c(C)c1 408719712 PKRHLHOFTCMTNE-LICLKQGHSA-N 372.490 4.713 10 40 FJCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)cc1 27533853 HEIZGWITSXSMKQ-NTEUORMPSA-N 371.874 4.622 10 40 FJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1245646 NSSYPDFXCUEPMJ-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB CCN(CC)Cc1c(O)ccc2oc(C)c(C(=O)Nc3ccccc3C)c12 5182439 XWAFZFUCFUDQGJ-UHFFFAOYSA-N 366.461 4.849 10 40 FJCB COc1ccc(Cl)cc1-n1c(CCC(=O)O)ccc1-c1ccc(F)cc1 5529817 OIAHOOINCMJCJL-UHFFFAOYSA-N 373.811 4.963 10 40 FJCB O=C(CSc1nc2cc(Cl)ccc2[nH]1)Nc1ccc(Cl)cc1 9191540 IRPSMFKGQZDKPM-UHFFFAOYSA-N 352.246 4.601 10 40 FJCB Cc1cc(CNCCc2ccccn2)c(C)n1-c1cccc(C(F)(F)F)c1 24527413 NXZHLTDTOXKSGU-UHFFFAOYSA-N 373.422 4.840 10 40 FJCB CC1=NN(c2ccccc2)C(=S)/C1=C/Nc1nc2ccccc2s1 102573125 DINDCVLGNCIEKT-SDNWHVSQSA-N 350.472 4.816 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2cccc(C)c2)cc1 408765553 YPVFXIWNNOKJET-RCCKNPSSSA-N 372.424 4.821 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 6960450 CRFMYCOVXFREOX-MDOVXXIYSA-N 364.401 4.516 10 40 FJCB Cc1ccccc1N1C(=O)/C(=C/c2cn(C)c3ccccc23)SC1=S 1416391 KNHFKQWLBFEFIJ-WQRHYEAKSA-N 364.495 4.893 10 40 FJCB O=C1S/C(=C\c2ccc(N3CCCC3)cc2)C(=O)N1Cc1ccccc1 106681819 CEQBDWAGTINSGB-RGEXLXHISA-N 364.470 4.523 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(N(C)c3ccccc3)cc2)SC1=S 3357987 CPNWAHJFKDXSIK-LGMDPLHJSA-N 354.500 4.676 10 40 FJCB Cc1cccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)c1 260740083 SHBTUCMVNCOEFB-KRWDZBQOSA-N 353.535 4.718 10 40 FJCB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Cl)cc3Cl)S2)C1 2316872 FOIWMJXRHYJWOM-IXIHQHOXSA-N 355.290 4.696 10 40 FJCB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21 4859482 VXYQVSHWFNVJAE-JJRVBVJISA-N 370.246 4.974 10 40 FJCB CCc1ccc(/C=C2/SC(=S)N(c3cccc([N+](=O)[O-])c3)C2=O)cc1 6168698 NRMFACXHLKJICS-MHWRWJLKSA-N 370.455 4.563 10 40 FJCB CCCCCOc1ccc(/C=C2/SC(N3CCCCC3)=NC2=O)cc1 2237876 IJCJLMRURSPZEE-OBGWFSINSA-N 358.507 4.712 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(C)cc3C)c2C)cc1 6780926 DSZVZHWLOCMATN-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB CCn1c2ccccc2n2nc(C)c(/N=N/c3nc4ccccc4n3C)c12 4114711 DZFVEFXWRPJNEI-GHVJWSGMSA-N 357.421 4.919 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccc(C)c(C)c3)c2C)cc1 6780933 DURIPMYUJIMIKA-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB CN(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 106685546 NQSPOLOEDGDXGP-BOPFTXTBSA-N 372.877 4.643 10 40 FJCB COc1ccc(OC)c([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c1 408830511 SCHDDAGWLPMVAP-VWKPWSFCSA-N 365.429 4.537 10 40 FJCB O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1cccc(Cl)c1 3149844 ZZNHESGIFCIKGI-DHDCSXOGSA-N 360.891 4.611 10 40 FJCB Cc1cc(-c2ccc(C(=O)Nc3ccc(N)cc3)o2)ccc1Br 227157715 HODDBIBWAGVKQM-UHFFFAOYSA-N 371.234 4.852 10 40 FJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 4714143 ZDWQMRJXNDYJAD-QKLQHJQFSA-N 364.401 4.598 10 40 FJCB O=C1c2ccccc2C(=O)[C@]2(C(c3ccccc3)c3ccccc3)N=NC[C@H]12 5699004 PHAJJSDXCOLSSX-YKSBVNFPSA-N 366.420 4.719 10 40 FJCB COc1cccc(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 9188700 LFAFAWSVTUUJHQ-IGWPVBGESA-N 355.484 4.658 10 40 FJCB O=S(=O)(Nc1ccc(O)c2ccccc12)c1cc(Cl)ccc1Cl 5090912 XFLGFIUELHVBGS-UHFFFAOYSA-N 368.241 4.653 10 40 FJCB Cc1ccnc(N[C@@H](c2ccc(O)cc2)c2ccc3cccnc3c2O)c1 19898704 YOECNGHJIVYNLO-FQEVSTJZSA-N 357.413 4.551 10 40 FJCB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(/N=N/c2ccccc2)cc1 22376698 WJVQCMMPXZAXDM-WCWDXBQESA-N 373.338 4.956 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccc(N)cc1)c1ccccc1 100989607 WZWQWRCEGDRFFJ-DQRAZIAOSA-N 368.440 4.515 10 40 FJCB COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 852471 WGNJNNSPWUYDJM-UHFFFAOYSA-N 360.438 4.999 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(c3ccc(N(C)C)cc3)C2=O)cc1 9188360 WNZFTJUILGVKMY-AQTBWJFISA-N 368.527 4.721 10 40 FJCB O=C1/C(=C\c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(Cl)c1 27533850 KLQWPIMBEKZFQI-NTEUORMPSA-N 371.874 4.622 10 40 FJCB O=c1oc2ccccc2c(-c2cc(O)cc(O)c2)c1C1=CC=CCC1=S 71404984 LUEFMZXJTSSLAZ-UHFFFAOYSA-N 362.406 4.584 10 40 FJCB COc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 225663258 FPYKAPLVTFWBPR-INIZCTEOSA-N 369.534 4.733 10 40 FJCB Oc1ccc(Nc2ccnc3cc(Cl)ccc23)cc1CN1CCCC1 4214841 YNWCUCSDUMVJKR-UHFFFAOYSA-N 353.853 4.933 10 40 FJCB in-man CCCN1C(=O)/C(=C\C=C2\N(CC)c3ccccc3C2(C)C)SC1=S 4859539 XHJPGKJKEHAANQ-MAEUFBSDSA-N 372.559 4.842 10 40 FJCB Oc1ccc(Cl)cc1C1=NN2[C@H](c3ccco3)Oc3ccccc3[C@H]2C1 10215340 VRJGVANABHFNMB-UZLBHIALSA-N 366.804 4.881 10 40 FJCB COC(=O)C1=C(C)N(c2cccc(Cl)c2)C(=O)/C1=C\c1ccc(C)cc1 59959122 WJWNDWXFOPCJRD-WQRHYEAKSA-N 367.832 4.526 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)CC1 224834597 JVBKRQWZHOMZHO-GOSISDBHSA-N 368.496 4.872 10 40 FJCB CC(=O)c1ccc(OCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 3270197 BDRKSENJTFBASJ-UHFFFAOYSA-N 365.404 4.698 10 40 FJCB C/C(Nc1ccccc1)=C1/C(=O)N(c2ccc(F)cc2)N=C1c1ccccc1 17076075 AJPZNPHPGRTCRC-PGMHBOJBSA-N 371.415 4.963 10 40 FJCB COc1ccc(C2=NN(Cc3ccccc3)C(=O)/C2=C\c2cccs2)cc1 18193421 SQUYJMPFEDXQAL-ZHZULCJRSA-N 374.465 4.587 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 20713041 FMHQYNIFTAHRSJ-TYILLQQXSA-N 351.362 4.638 10 40 FJCB Cc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260801792 MYLCBAINZHMHPJ-INIZCTEOSA-N 350.506 4.778 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccccc2)C1=O 408764542 XKBOAZNIQZALOA-CAPFRKAQSA-N 354.409 4.530 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1OC)N2 409174794 OWSGSYPGBGGGKT-VPZZIHKRSA-N 369.848 4.962 10 40 FJCB O=C1/C(=C\c2cc(Cl)ccc2O)SC(=S)N1C1CCCCC1 4454676 KORQMMJKEWOAKN-NTEUORMPSA-N 353.896 4.580 10 40 FJCB COc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccccc3)cc2)cc1 16954564 RVWCSLOUCISZMN-QZQOTICOSA-N 367.430 4.911 10 40 FJCB Cc1ccc(C2=NN[C@](C(=O)c3ccccc3)(c3ccccc3)S2)cc1 5745647 DONZAYSRRGJTGV-JOCHJYFZSA-N 358.466 4.729 10 40 FJCB Cc1nn2c(nc(N[C@@H](C)c3ccccc3O)c3ccccc32)c1Cl 12907371 LSOQAXMYHYBHEZ-NSHDSACASA-N 352.825 4.723 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)c(OC)c1 13574003 VGZKWSHNEBTJIR-WOJGMQOQSA-N 350.414 4.809 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccc(Cl)cc3)cc2)C1 260453371 LZVJUAZCECUXCR-DLBZAZTESA-N 370.924 4.996 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 408849280 ZHLYYJMNNRVCAN-RCCKNPSSSA-N 354.409 4.535 10 40 FJCB O=C1/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1 5006225 JRJHHIAEPKCTCE-YUDPATCQSA-N 368.439 4.557 10 40 FJCB C[C@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)C1 6469084 SVKZKQTVIILNOD-WULZRQGASA-N 355.290 4.696 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@H]21 6963503 FMHQYNIFTAHRSJ-NJSLBKSFSA-N 351.362 4.638 10 40 FJCB CCc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1 225126445 MXTOSAJNGBSDFN-GOSISDBHSA-N 350.506 4.659 10 40 FJCB Nc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)cc1 227157404 JKMNUXNIDRNXEN-UHFFFAOYSA-N 357.207 4.544 10 40 FJCB O=C1CS[C@H](c2ccc(N3CCCC3)cc2)N1c1ccc(Cl)cc1 408557981 RFAGTZYYCIVOLN-LJQANCHMSA-N 358.894 4.719 10 40 FJCB O=C1NC(=S)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S1 1472475 JLTFQRGQRJJSPS-YVLHZVERSA-N 350.468 4.814 10 40 FJCB Cc1oc2c(CN3CCC[C@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1 20358319 ULLJHZIGKGQYED-HNNXBMFYSA-N 363.457 4.706 10 40 FJCB biogenic COc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)cc1 408767661 ZOAHTAKWIGLDTC-CJLVFECKSA-N 368.436 4.838 10 40 FJCB O=C1NC(=S)S/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1081982 VRRGUXZKRFEHEL-WUXMJOGZSA-N 356.255 4.742 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccc(C)c(C)c3)=NC2=O)cc1 35647964 JWOAEXSDACWXOL-LDADJPATSA-N 352.459 4.785 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C/Nc1cccc(Cl)c1Cl 100148610 BRHCXTWZCJKXLT-UKTHLTGXSA-N 364.207 4.851 10 40 FJCB CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3CC)C1=O 223538984 HFJWJDPPBYLPCG-MFVBVHDHSA-N 358.507 4.855 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1F 225393953 KCDLKRWLYLQZJT-CVEARBPZSA-N 370.468 4.562 10 40 FJCB CCOc1ccc(/C=C2\C=C(c3ccccc3)N(c3cccnc3)C2=O)cc1 408986218 OTJBCTZEKYOQIK-HMMYKYKNSA-N 368.436 4.952 10 40 FJCB CN(C)c1ccc(/N=N/c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1 18081429 HZFZIJDCKZOTBF-WCWDXBQESA-N 355.397 4.943 10 40 FJCB Cc1c(/N=N/c2cc(O)cc3ccccc23)c(=O)n(-c2ccccc2)n1C 110297438 NBKBBIYITDFGDJ-GHVJWSGMSA-N 358.401 4.759 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260772695 VVYDUKYWBJZKKJ-WMZOPIPTSA-N 366.505 4.731 10 40 FJCB O=C1/C(=C\c2ccc(N3CCCCC3)o2)SC(=S)N1c1ccccc1 408902796 RNQYNGUQRZKADK-DTQAZKPQSA-N 370.499 4.676 10 40 FJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=S)NC2=O)c1C 15227120 QJTDHQJCQYOWDJ-NVNXTCNLSA-N 362.907 4.545 10 40 FJCB Cc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)c(C)n1-c1ccccc1 6623544 SRFKTBZGLLUJLB-UHFFFAOYSA-N 367.832 4.787 10 40 FJCB CC(=O)c1c(CSc2ccccc2)oc2ccc(O)c(CN(C)C)c12 19898158 WWJHAODAHXBVMC-UHFFFAOYSA-N 355.459 4.695 10 40 FJCB CCCN(CCC)Cc1c(O)ccc2oc(C)c(C(=O)NC3CCCC3)c12 5182452 JRZUBYRKUNUWKS-UHFFFAOYSA-N 372.509 4.741 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2ccccc2[N+](=O)[O-])SC1=S 5551897 AACMBOMNQIXVOC-WJDWOHSUSA-N 370.455 4.563 10 40 FJCB CC1=NN(c2nc(-c3ccccc3)cs2)C(=O)/C1=C/c1ccc(C)s1 6504046 VEDUOALKNHGYJE-MHWRWJLKSA-N 365.483 4.986 10 40 FJCB COc1cc([C@@H]2Nc3ccc(C)cc3[C@@H]3C=CC[C@@H]32)cc(OC)c1OC 13640867 CXRPIZXPCFZJGB-XFQAVAEZSA-N 351.446 4.847 10 40 FJCB CCN(CCCNC(=S)Nc1ccc(C)cc1C)c1ccc(C)cc1 225732561 OHNNWLWMNUXDQR-UHFFFAOYSA-N 355.551 4.815 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C/c3cn(CC#N)c4ccccc34)S2)c1 6256620 NBHILASVRHGVPE-UNOMPAQXSA-N 372.453 4.556 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@H]21 6963537 FMHQYNIFTAHRSJ-KSMMKXTCSA-N 351.362 4.638 10 40 FJCB COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)[C@H]2CC=CCC2)cc1 7986155 DTOSFTKUWDMLRZ-IBGZPJMESA-N 364.489 4.651 10 40 FJCB CCN1C(=O)/C(=C\c2ccc3c(c2)c2ccccc2n3C)SC1=S 17073092 GQOXNWXGIWDNMW-GZTJUZNOSA-N 352.484 4.553 10 40 FJCB CN1C(=O)/C(=C2/Sc3ccccc3N2C2CCCCC2)SC1=S 100265200 BNFXHSJNOWKJCQ-PEZBUJJGSA-N 362.545 4.591 10 40 FJCB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCc1ccc(N(CC)CC)cc1 224214694 JOADSBIPTQYSJO-HXUWFJFHSA-N 374.912 4.660 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(O)cc2)c1 408759764 LDFBWBNOUVJEPW-KGENOOAVSA-N 372.399 4.674 10 40 FJCB Cc1cccc(C)c1NC(=O)C(=O)c1cc(C)n(-c2ccccc2F)c1C 6780942 ZAFKCIMMYNUHFB-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(Cl)cc1Cl 10113062 SVYWROAROUIFEK-UHFFFAOYSA-N 363.288 4.914 10 40 FJCB Oc1ccccc1[C@H]1CC(c2cccnc2)=N[C@@H](c2ccc(Cl)cc2)N1 80325096 YSUSHDDSAGZFOT-TZIWHRDSSA-N 363.848 4.663 10 40 FJCB Cc1ccc(C(=O)N2N=C(c3ccccc3O)C[C@H]2c2ccccc2)cc1 13123127 YTLMWXIAVDJGFX-NRFANRHFSA-N 356.425 4.692 10 40 FJCB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(N2CCCC2)cc1 13668664 NOKHQOISCHXTIP-HNNXBMFYSA-N 374.937 4.737 10 40 FJCB CSc1ncccc1C(=O)NCc1ccc(N(C)C2CCCCC2)cc1 70019918 XXWULZQHAJOZPN-UHFFFAOYSA-N 369.534 4.502 10 40 FJCB Cc1ccc(C2=NN[C@@](C(=O)c3ccccc3)(c3ccccc3)S2)cc1 5745680 DONZAYSRRGJTGV-QFIPXVFZSA-N 358.466 4.729 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccc(F)cc1 6780997 RZXZJKAOZUEFIW-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N([C@@H](C)c2ccccc2)C1=O 12032505 PFZPSJOIDBJXBL-VLURKWGBSA-N 355.484 4.658 10 40 FJCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)s1 6534251 ZMJOHZVXYHCPJE-UHFFFAOYSA-N 371.531 4.846 10 40 FJCB CCOc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CC=C[C@@H]21 13389399 MGMWGGWTLFZCCQ-STXHMFSFSA-N 366.417 4.829 10 40 FJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cccc(C)c3C)c2C)SC1=S 409006415 JJLHZSKCJPNDPG-WQRHYEAKSA-N 370.543 4.932 10 40 FJCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=S)NC3=O)cc21 208243734 JWKABXNZUKFTPO-RGEMTFFCSA-N 366.939 4.551 10 40 FJCB COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1cccc(C)c1 408843027 QBBPGAWNVPEXHD-XMHGGMMESA-N 374.465 4.900 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N(c2ccccc2Cl)C1=O 5215638 GBHGLQNENUZQEG-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB CCOc1ccccc1/N=N/c1c(C)nn(C(=S)SC)c1OCC 17142268 SSAVLSHAEKKQHV-ISLYRVAYSA-N 364.496 4.900 10 40 FJCB Cc1ccc(/C=C2\SC(=S)N(Cc3nc4ccccc4o3)C2=O)cc1 54360594 LVQJVUBFSJJIBA-YBEGLDIGSA-N 366.467 4.538 10 40 FJCB CCOc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 408756722 WWNAGLKSQKEYMU-OQKWZONESA-N 368.436 4.920 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 4320922 LSEUQOBRAOITCE-DOXZYTNZSA-N 369.848 4.962 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1 4320924 LSEUQOBRAOITCE-KHYOSLBOSA-N 369.848 4.962 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)c(C)c1 408904600 MBLBSHGMBZNQJO-LTGZKZEYSA-N 359.473 4.791 10 40 FJCB Cc1ccc(/N=N\c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 409305674 OGVZDZISBVDXRD-FOBDTZGESA-N 357.413 4.722 10 40 FJCB COc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1C 409338964 CNPASRFNDQEJOD-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB CCN(CC)c1ccc(NC2=NC(=O)/C(=C/c3cccs3)S2)cc1 6869828 GVIBQFICTOSXCW-VBKFSLOCSA-N 357.504 4.677 10 40 FJCB Cc1nnc(SCC(=O)c2cc(C)n(-c3ccccc3C)c2C)s1 44030036 AFWUHRQMJMSYCC-UHFFFAOYSA-N 357.504 4.537 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)S2)c1 96663288 GQISTKBANVVLJC-DHDCSXOGSA-N 373.821 4.639 10 40 FJCB C/C(Nc1ccc(F)cc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17076074 MREBVAVAULAZRZ-PGMHBOJBSA-N 371.415 4.963 10 40 FJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccccc1 222636731 YHQRSOSEYLOZSV-ORYQWCPZSA-N 374.513 4.770 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(C)s3)c2C)cc1 6649287 OUBISDLYAVEQIP-UHFFFAOYSA-N 357.504 4.537 10 40 FJCB C[C@@H](c1ccccc1O)N(C)C(=O)CCCc1ncc(-c2ccccc2)o1 84660772 KVNNQLUFJZVQOH-INIZCTEOSA-N 364.445 4.590 10 40 FJCB O=C1CS[C@@H](c2ccc(N3CCCC3)cc2)N1c1ccc(Cl)cc1 408557979 RFAGTZYYCIVOLN-IBGZPJMESA-N 358.894 4.719 10 40 FJCB CCOc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1 225694281 XTSDIAKWRLNHDE-MRXNPFEDSA-N 369.534 4.733 10 40 FJCB CCOC(=O)c1ccc(NCc2c(O)ccc3oc4c(c23)CCCC4)cc1 2277356 DMBGZPQRFZOVLN-UHFFFAOYSA-N 365.429 4.806 10 40 FJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC 208781071 QLCCUGWIVCJACS-MHWRWJLKSA-N 370.836 4.553 10 40 FJCB O=C1N=C(N2CCC(Cc3ccccc3)CC2)S/C1=C\c1ccccc1 1246706 XAQBSOVXYCLNKP-SILNSSARSA-N 362.498 4.612 10 40 FJCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1c1ccccc1 4514400 LKPWZRCOMXYIGC-NBVRZTHBSA-N 350.443 4.528 10 40 FJCB CC[C@H](C)N1C(=O)S/C(=C\c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 5529248 OLKQEOPFSBLVHQ-NWRYFCBHSA-N 369.490 4.632 10 40 FJCB Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225689280 CXVSXRPCKSLTAD-QGZVFWFLSA-N 353.535 4.718 10 40 FJCB COc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)cc1 408763977 HLPNPPDNOHURHE-CJLVFECKSA-N 368.436 4.838 10 40 FJCB O=C1/C(=C\Nc2cccc(Cl)c2)SC(=S)N1CCc1ccccc1 4525880 JVPRQXHPWNRLCJ-FOWTUZBSSA-N 374.918 4.696 10 40 FJCB CCOc1ccccc1/C=C1/SC(=S)N(c2ccccc2C)C1=O 96505055 APFZUKYAIVROHQ-SFQUDFHCSA-N 355.484 4.800 10 40 FJCB O=C1/C(=C\c2ccc(Cl)cc2)N=C(c2ccccc2)N1c1ccc(O)cc1 98035193 DIUZAWZVTQGIEL-XSFVSMFZSA-N 374.827 4.880 10 40 FJCB O=C1/C(=C\c2ccc(N3CCCC3)cc2)SC(=S)N1c1ccccc1 216292998 FDONNXDOOHRVAS-NBVRZTHBSA-N 366.511 4.693 10 40 FJCB Cc1cc(/C=C2\C(=O)Nc3cc(Cl)ccc32)c(C)n1-c1nccs1 8198693 VROSSURRDQOYTK-NVNXTCNLSA-N 355.850 4.697 10 40 FJCB Cc1ccc(C(=O)OCC(=O)c2cc(C)n(-c3ccccc3)c2C)cc1C 12623224 BTNWYMZOUQRFFZ-UHFFFAOYSA-N 361.441 4.751 10 40 FJCB Cc1cccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)c1 6780972 WSSOUNVAXKNTBC-UHFFFAOYSA-N 366.848 4.877 10 40 FJCB C[C@@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 10113085 VWFMXHSBEVJXJP-GOSISDBHSA-N 368.546 4.615 10 40 FJCB Cc1ccc(C)c(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c1 58850368 XMEQSDZDEZHBKM-UHFFFAOYSA-N 354.475 4.512 10 40 FJCB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 225671678 GKTQVYQFMCFTDG-SJORKVTESA-N 368.550 4.674 10 40 FJCB COc1cccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)c1OC 408721975 BWEBCBUQFFKXHK-UYRXBGFRSA-N 358.393 4.838 10 40 FJCB CCOc1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)cc1 12411677 JTOZDFKGWSRETA-ATVHPVEESA-N 355.484 4.800 10 40 FJCB CC[C@H](C)Oc1c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cccc1OC 33911207 BZPIIMAQZFEFFD-FHHIAAGZSA-N 364.445 4.679 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1c(C)nn(-c2ccc(C)cc2)c1C 408758264 XUZHPETWXIZKQI-HMAPJEAMSA-N 370.456 4.604 10 40 FJCB CCCOC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 1803858 CQOAVCFYOZTJNE-UHFFFAOYSA-N 356.447 4.584 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 5372180 LAPUMMPZLWCFGG-WCTLISOUSA-N 365.479 4.851 10 40 FJCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1Cc1ccccc1 19805119 JMDROOXOBUTEMR-LICLKQGHSA-N 350.468 4.569 10 40 FJCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1C1CCCCC1 4689513 VFPSNLBPMLJXJU-ZROIWOOFSA-N 353.896 4.580 10 40 FJCB C[C@H](NC(=O)/C=C/c1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217912954 KYEQDVCHTFVJCJ-PLDDMEKUSA-N 366.480 4.953 10 40 FJCB CCCCc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 5372337 LOPCDARWVSODHM-ATVHPVEESA-N 354.500 4.830 10 40 FJCB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 13615580 QOGGNGICQYXDPW-VWOUKEEZSA-N 357.413 4.804 10 40 FJCB CC[n+]1c(-c2ccc(C)cc2)csc1Nc1ccc(NC(C)=O)cc1 1505825 CZIZMAYPYWIYOT-UHFFFAOYSA-O 352.483 4.733 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cc4ccccc4n3C)S2)cc1C 5374363 OHUOMICMZHNEFY-XDHOZWIPSA-N 361.470 4.878 10 40 FJCB CN1CCN(C2=Cc3cc(Cl)ccc3Sc3cc(F)ccc32)CC1 19802378 LXXWKTMDVBORIZ-UHFFFAOYSA-N 360.885 4.689 10 40 FJCB CCOc1ccccc1N1C(=O)/C(=C\C=C\c2ccco2)SC1=S 27533644 KZFHUNNTWBTLOA-LLPGWTFISA-N 357.456 4.640 10 40 FJCB COc1ccc(C)cc1N[C@@H](c1ccccn1)c1ccc2cccnc2c1O 13816206 CBKAKNIYXPYCGO-JOCHJYFZSA-N 371.440 4.854 10 40 FJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409015286 ZHUCEYFCBXCZJH-HNEYUBDGSA-N 369.490 4.632 10 40 FJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959424 JYGSSKLRBHATMN-ZJNRKIDTSA-N 370.792 4.773 10 40 FJCB Cc1ccc(/N=N\c2ccc3c(S(=O)(=O)O)cccc3c2O)c(C)c1 104366792 GQJZOZKEZADGNL-VXPUYCOJSA-N 356.403 4.824 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2 227092488 JYGSSKLRBHATMN-VFVRVIDISA-N 370.792 4.773 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)cc1 5600289 ISUXSSNANSFHPE-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CCOC(=O)c1c(C)oc2c1c(CN1CCCCC1)c(O)c1ccccc12 19901760 PRSVDIQZHJYQGU-UHFFFAOYSA-N 367.445 4.763 10 40 FJCB CCCC1=NN(c2ccc(C(=O)OCC)cc2)C(=O)/C1=C/c1cccs1 36617110 CPSSCGNHRKBJPE-GHRIWEEISA-N 368.458 4.511 10 40 FJCB CCN(CC)Cc1cc(Nc2cc(OC)cc3cccnc23)ccc1O 1717455 NLPUHOPTKPSLPC-UHFFFAOYSA-N 351.450 4.534 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 34772766 MKZHARQQNCHRIK-ZQIUZPCESA-N 370.792 4.773 10 40 FJCB C[C@@H](NC(=O)c1ccc2c3c(onc13)-c1ccccc1C2=O)c1ccccc1 2294495 BZSBHFPLVSFKIG-CYBMUJFWSA-N 368.392 4.530 10 40 FJCB CN(C)c1ccc(/C=C/[C@]23N=C(O)CCN2c2ccccc2C3(C)C)cc1 4000048 GRDAWTQQWOGWLJ-JLQMKUNGSA-N 361.489 4.620 10 40 FJCB biogenic CC1CCN(c2ccc([C@H](C)NC(=O)CSc3ccccc3)cc2)CC1 217972374 MWNBJZDSEAVBIW-SFHVURJKSA-N 368.546 4.892 10 40 FJCB CCCCCOc1ccc(/C=C2\SC(N3CCCCC3)=NC2=O)cc1 27019296 IJCJLMRURSPZEE-SDXDJHTJSA-N 358.507 4.712 10 40 FJCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219957118 RZXVRUKDIDQDLK-MSOLQXFVSA-N 366.505 4.813 10 40 FJCB Nc1c(C(=O)OCc2ccccc2)sc2nc3c(cc12)CCCCC3 1102189 CFGPGRBNYJCYMN-UHFFFAOYSA-N 352.459 4.504 10 40 FJCB COc1cc2c(cc1NCC(=O)N1CCc3ccccc31)oc1ccccc12 3221689 YYAYATIMSGUFFP-UHFFFAOYSA-N 372.424 4.596 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(C=O)cc3)SC2=S)c1 5375078 PONDWIFCRIMQJW-YVLHZVERSA-N 353.468 4.522 10 40 FJCB O=C1N=C(Nc2ccccc2Br)S/C1=C/c1ccccc1 8435889 VHNKGLSOZZLFPJ-GXDHUFHOSA-N 359.248 4.532 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21 409169891 RRDXDMPIQUMGQG-FHSNZYRGSA-N 370.246 4.974 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3OC)SC2=S)cc1 34719154 MQFIHBLXAZRCNI-SFQUDFHCSA-N 355.484 4.663 10 40 FJCB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 227157458 ORSXTOGBIRGXES-UHFFFAOYSA-N 357.207 4.544 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccccc2F)N(c2ccccc2)C1=O 408765168 KLFIGPIAUPUPRC-HMMYKYKNSA-N 372.399 4.669 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccc(O)cc2)c1C 408901563 GKVMOAYPJYXCJR-HYARGMPZSA-N 371.440 4.606 10 40 FJCB C[C@@H]1CN(C2CC2)C[C@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1657509795 RMVTUSIBMGVHDT-FOIQADDNSA-N 358.570 4.560 10 40 FJCB Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccccc2)n1C 886484 CBBDCYDPULSEPB-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB COC(=O)c1sc2nc3c(c(-c4ccc(C)cc4)c2c1N)CCCCC3 2194593 BRGJQRQJKNITPT-UHFFFAOYSA-N 366.486 4.909 10 40 FJCB CN(C)c1ccc(C(c2ccc(C(=O)O)cc2)c2ccc(N(C)C)cc2)cc1 3980015 GNJAUKUSICXRTP-UHFFFAOYSA-N 374.484 4.697 10 40 FJCB COC(=O)c1ccccc1Nc1c(-c2ccco2)nc2ccc(Cl)cn12 35616034 JETFFBOINXWFRO-UHFFFAOYSA-N 367.792 4.778 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3cccc(C)c3C)=NC2=O)cc1 703432 AZUXGFILRXRUEM-LDADJPATSA-N 352.459 4.785 10 40 FJCB Cc1cc(C(=O)CN2CCC(C)CC2)c(C)n1-c1ccc(F)c(Cl)c1 4746808 PFNRRDMWSXIRJK-UHFFFAOYSA-N 362.876 4.801 10 40 FJCB COc1c(Cl)cc(Cl)cc1/C=C1/C(=O)N(c2ccccc2)N=C1C 210951915 XYYCYOAQQJDRBE-OQLLNIDSSA-N 361.228 4.808 10 40 FJCB CSc1cccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1 409328624 ZBWYSSWVLYGRBA-OQLLNIDSSA-N 361.488 4.953 10 40 FJCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1cccc(C(F)(F)F)c1 2259391 ZMJSCJNKSCQWHX-LCYFTJDESA-N 366.389 4.506 10 40 FJCB CC1CCN(C2=NC(=O)/C(=C/c3c(Cl)cccc3Cl)S2)CC1 9188872 BDLJJZKVLVXLMK-ZROIWOOFSA-N 355.290 4.696 10 40 FJCB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCc1ccc(N(CC)CC)cc1 223507250 FYHSNKZSHJHRQF-NRFANRHFSA-N 368.521 4.623 10 40 FJCB Cc1ccc(NC(=S)NCc2ccc(N3CCCC3)cc2)cc1Cl 225423614 BOTJAUWCXLHUES-UHFFFAOYSA-N 359.926 4.735 10 40 FJCB COC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N 632743 KUQJDWJVZMXJFE-UHFFFAOYSA-N 350.399 4.592 10 40 FJCB O=C(Nc1nccs1)c1oc2ccccc2c1CSc1nccs1 3360692 LYZQQHNUMSCDLK-UHFFFAOYSA-N 373.484 4.890 10 40 FJCB CCc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 225694415 VBDBJUKSYMNVNS-INIZCTEOSA-N 353.535 4.897 10 40 FJCB Cc1ccc2c(c1/N=N/N(O)c1ccccc1)C(=O)c1ccccc1C2=O 4535905 HYXDOELWXZBLCZ-GHVJWSGMSA-N 357.369 4.665 10 40 FJCB CCCCCCNC1=C2Sc3ncnc(NC)c3N=C2CC(C)(C)C1 20082745 OGCDOIUYTGYDIJ-UHFFFAOYSA-N 359.543 4.898 10 40 FJCB C[C@@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)N(C)C3=O)cc21 208243611 HPRUEEOAQMQDML-MIJYTDESSA-N 364.898 4.728 10 40 FJCB O=C1NC(=O)/C(=C/c2cc(/N=N/c3cccc(Cl)c3)ccc2O)S1 408725560 LWIVENILUCUKKU-KIVMVORFSA-N 359.794 4.785 10 40 FJCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1ccc(F)cc1 409023073 CRGVBGCDUFZOJW-LICLKQGHSA-N 358.438 4.678 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@@H]21 409151690 HTBBRTZJVUAYCG-BWACUDIHSA-N 370.246 4.974 10 40 FJCB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21 847290 VXYQVSHWFNVJAE-JKIFEVAISA-N 370.246 4.974 10 40 FJCB CCOc1ccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 95912901 UFYNCPVACGOUTB-OAQYLSRUSA-N 371.440 4.936 10 40 FJCB CC1=CC(C)(C)N(C)c2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc21 208443750 MWNIFYVLUPPVML-YVLHZVERSA-N 356.491 4.763 10 40 FJCB CCc1ccc(/C=C2/SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 35041389 IJUVIQPBYYIOPO-WOJGMQOQSA-N 367.495 4.857 10 40 FJCB COc1ccc(Cl)cc1/C=C1\SC(Nc2ccccc2F)=NC1=O 97475156 KTXRDMZWWZYGRJ-DHDCSXOGSA-N 362.813 4.570 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2c2ccccc2)cc1 408767459 XWHNDRNPGNSOJK-HMMYKYKNSA-N 358.397 4.513 10 40 FJCB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)SC1=S 5312024 BEPVEHGWZIEIPO-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB Cc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCCO3)o1 3909775 RGARDIRMHXMFOQ-UHFFFAOYSA-N 361.401 4.726 10 40 FJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3c(C)cccc3C)c2C)SC1=S 5509635 GXDHAWXNWXJPHJ-BOPFTXTBSA-N 370.543 4.932 10 40 FJCB CCOc1ccc(OCC)c(NCc2cc(Br)ccc2O)c1 44836153 HAOOSJURGMPLGK-UHFFFAOYSA-N 366.255 4.564 10 40 FJCB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 100559718 QOGGNGICQYXDPW-MEMZIGFLSA-N 357.413 4.804 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 409167546 JBLREMIJVMSLSV-FUHIMQAGSA-N 364.401 4.516 10 40 FJCB COC(=O)c1sc2nc3c(c(-c4ccc(C)cc4)c2c1N)CCCC3 2925001 WFMJMFONRIPEFH-UHFFFAOYSA-N 352.459 4.519 10 40 FJCB C[C@H]1CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)N(C)C3=O)cc21 208243654 HPRUEEOAQMQDML-XVBMGZJVSA-N 364.898 4.728 10 40 FJCB Cc1ccc(C2=C/C(=C\c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)O2)cc1 4811738 LFMGAYSGKKKIHC-LDADJPATSA-N 372.376 4.935 10 40 FJCB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 222724908 QEVPIXSVAAGTQX-QFIPXVFZSA-N 368.521 4.623 10 40 FJCB CCOc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225695705 PFZQUTCBAKQKRG-INIZCTEOSA-N 369.534 4.733 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccccc3CC)=NC2=O)cc1 35647950 NMKYTVSVEVANLW-QGOAFFKASA-N 352.459 4.730 10 40 FJCB CCN(CC)c1ccc(CNC(=O)/C(=C/c2ccco2)c2ccccc2)cc1 225744959 DDBJCDOKLUFKJL-HAVVHWLPSA-N 374.484 4.983 10 40 FJCB COc1ccc(C2=C/C(=C\c3ccc(OC)c4ccccc34)C(=O)O2)cc1 408740554 CCPKNJYOWQWZCA-GHRIWEEISA-N 358.393 4.838 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@H]21 6963483 VQDHHVBSHKCWAL-TXPKVOOTSA-N 351.362 4.638 10 40 FJCB CCN1C(=O)/C(=C/c2ccc3c(c2)c2ccccc2n3C)SC1=S 44790561 GQOXNWXGIWDNMW-BOPFTXTBSA-N 352.484 4.553 10 40 FJCB Cc1cc(/C=C2/NC(=O)N=C2O)c(C)n1-c1ccc(-c2ccccc2)cc1 1277489 FVXIXEVGQBNVLL-DEDYPNTBSA-N 357.413 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363.269 4.660 10 40 FJCB CC(C)(C)c1ccc(CCC(=O)NCc2ccc(N3CCCC3)cc2)cc1 10113639 BVNYFNKCBIWJLQ-UHFFFAOYSA-N 364.533 4.833 10 40 FJCB O=C(CCc1ccc2ccccc2c1)NCc1ccc(N2CCCC2)cc1 95363270 OYNUGZPLJJBQNV-UHFFFAOYSA-N 358.485 4.689 10 40 FJCB CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCCCC2)c1O 5065817 ARURDPBQYKDPGE-UHFFFAOYSA-N 363.457 4.714 10 40 FJCB O=C1/C(=C\c2ccc3ccccc3n2)SC(=S)N1Cc1ccccc1 9420451 VUAJROWMEBVUEB-LDADJPATSA-N 362.479 4.636 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccc(Cl)cc3)cc2)C1 218529566 LZVJUAZCECUXCR-IAGOWNOFSA-N 370.924 4.996 10 40 FJCB Cc1cc2c(cc1/C=C1/SC(=O)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223598986 YVNIRKRFHUVCLA-LFMVTYOGSA-N 358.507 4.820 10 40 FJCB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 229837211 QOGGNGICQYXDPW-KAGXQSIASA-N 357.413 4.804 10 40 FJCB O=C1/C(=C/c2ccco2)SC(=S)N1c1ccc(Cl)c(Cl)c1 2257552 JWSAAEXKDZPCNW-GHXNOFRVSA-N 356.255 4.992 10 40 FJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\C=C\c1cccc([N+](=O)[O-])c1 16160619 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O=C(O)c1ccccc1[C@@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@H]21 409169892 RRDXDMPIQUMGQG-SNUQEOBHSA-N 370.246 4.974 10 40 FJCB O=C1/C(=C\c2ccc(Br)o2)SC(=S)N1C1CCCCC1 1206768 VEAZVPGBVXUNDT-DHZHZOJOSA-N 372.309 4.576 10 40 FJCB CCOC(=O)c1[nH]c2ccc(F)cc2c1/N=N/N1CCc2ccccc2C1 2296233 NUYXUOLKIJMDPQ-WCWDXBQESA-N 366.396 4.541 10 40 FJCB COc1ccc([C@@H]2Nc3ccccc3N[C@@H]3CC(C)(C)CC(=O)[C@@H]32)cc1 5011715 FYAQZPYDZGWNCA-NRSPTQNISA-N 350.462 4.648 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(SCc3ccccc3)o2)SC1=S 5028564 FXBNCDUOHWRLAT-UVTDQMKNSA-N 361.513 4.793 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3Cl)cc2)CC1 225439848 YJRHVYGARLFTJC-QGZVFWFLSA-N 370.924 4.996 10 40 FJCB O=C1/C(=C/c2c[nH]c3ccccc23)SC(=S)N1c1cccc(F)c1 20082056 NYJPOVUMCARPBM-PXNMLYILSA-N 354.431 4.713 10 40 FJCB O=C1[C@H](Cc2ccc(Cl)cc2)SC(=S)N1CCC1CCCC1 409162730 ZFDMOQGJYYOPLW-HNNXBMFYSA-N 353.940 4.692 10 40 FJCB CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCCCCC2)c1O 943875 BYUJULDDRCAPGD-UHFFFAOYSA-N 351.446 4.590 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 1245400 BXPVTCLLCJSCMA-ATVHPVEESA-N 355.484 4.800 10 40 FJCB Cc1cccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)c1 2417543 QNGOWJLFUWRTHZ-WQRHYEAKSA-N 364.495 4.893 10 40 FJCB Cc1cc(C2=NN=C(NC3CC3)S[C@H]2C)c(C)n1-c1ccc(Cl)cc1 14092728 UNFMAEJCMKHOGG-ZDUSSCGKSA-N 372.925 4.695 10 40 FJCB Oc1ccccc1[C@H]1CC(c2cccnc2)=N[C@H](c2ccc(Cl)cc2)N1 80325089 YSUSHDDSAGZFOT-CTNGQTDRSA-N 363.848 4.663 10 40 FJCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)nc1 260737353 JLZLAVANUKVHFU-DLBZAZTESA-N 368.550 4.674 10 40 FJCB CCc1nc2sc(C(=O)OC3CCCCC3)c(N)c2c2c1CCCC2 2289903 DFPOCXZPQIGBSJ-UHFFFAOYSA-N 358.507 4.809 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260760840 BHNMTFGEUCDCOJ-AZUAARDMSA-N 364.533 4.960 10 40 FJCB Cc1cc(O)c(CN2CCC(C(=O)c3ccccc3)CC2)cc1C(C)C 14197693 XMIAOAWISFKISF-UHFFFAOYSA-N 351.490 4.919 10 40 FJCB Oc1ccc2oc3c(c2c1CN1CCC[C@@H](C(F)(F)F)C1)CCCC3 60741662 PDJZCQXDMZWMHD-GFCCVEGCSA-N 353.384 4.792 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3F)cc2)C1 224965486 RWTOMQYLITXHSN-QZTJIDSGSA-N 368.496 4.872 10 40 FJCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1c1ccccc1Cl 784135 PAVURBXBXXDNIX-IBGZPJMESA-N 366.804 4.522 10 40 FJCB COc1ccc(C2=NN(c3ccccc3)C(=O)/C2=C\c2cccs2)cc1 18193115 XUIXKGBIXRLRLT-RGEXLXHISA-N 360.438 4.591 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1C 23042560 GYPKOBVGXMUEPO-HXUWFJFHSA-N 350.462 4.815 10 40 FJCB CCOC(=O)[C@@](Cc1ccccc1)(N=Nc1ccc(Cl)cc1)C(C)=O 584905856 OPZDNZPZLWFOAJ-IBGZPJMESA-N 358.825 4.557 10 40 FJCB CCCN(CCC)c1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 3032778 DQUAYDQNWILWIP-PGMHBOJBSA-N 362.473 4.966 10 40 FJCB Cc1ccccc1CSCC(=O)NCc1ccc(N2CCCCC2)cc1 13632628 OVVLYVQDHWXBKO-UHFFFAOYSA-N 368.546 4.535 10 40 FJCB COc1ccc([C@@H]2C[C@H](c3ccccc3O)Nc3nc4ccccc4n32)cc1 72332973 ZKFDBWDVBPKZCT-CTNGQTDRSA-N 371.440 4.897 10 40 FJCB Cc1cccc(N/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1 97963959 DWHQVRGGRDFNMX-VMOJBDSFSA-N 354.500 4.870 10 40 FJCB CCN(CCCNC(=S)Nc1ccc(Cl)cc1)c1ccc(C)cc1 225732874 LVXJFHZMLKXTCH-UHFFFAOYSA-N 361.942 4.851 10 40 FJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)nc1 260737359 JLZLAVANUKVHFU-IRXDYDNUSA-N 368.550 4.674 10 40 FJCB CCOC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\Nc1ccc(C)c(C)c1 100249908 ARIKTISESJOPEM-PDGQHHTCSA-N 369.852 4.649 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccccc1)c1ccccc1 102569941 OFRORPCBQQSJPG-DQRAZIAOSA-N 353.425 4.933 10 40 FJCB CC(C)N1c2ccc(/C=C3/SC(=S)NC3=O)cc2[C@H](C)CC1(C)C 260565358 IEBLYRNVZADEQU-GFQQVXNGSA-N 360.548 4.676 10 40 FJCB CCOC(=O)[C@](Cc1ccccc1)(N=Nc1ccc(Cl)cc1)C(C)=O 584905857 OPZDNZPZLWFOAJ-LJQANCHMSA-N 358.825 4.557 10 40 FJCB CC1=CN2C(=N)/C(=C/c3ccc(-c4ccccc4Cl)o3)C(=O)N=C2S1 666402 NFZAFRCHINXLPB-TUQWILOLSA-N 369.833 4.767 10 40 FJCB Cc1ccc(Nc2c(N)c(Cl)cc3c2C(=O)c2ccccc2C3=O)cc1 4360848 HVYCHTLSARRMEK-UHFFFAOYSA-N 362.816 4.750 10 40 FJCB COc1cccc(CN2N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1O 4725088 GOOOPUVJMJEMKA-OAQYLSRUSA-N 358.441 4.752 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1ccc(C)cc1 11692715 ZEOOYJIGXAYMHW-FQEVSTJZSA-N 350.462 4.815 10 40 FJCB CCN1C(=O)/C(=C/c2cccn2-c2ccc(C)c(Cl)c2)SC1=S 107865888 UGKLTEXPMVSZEM-GDNBJRDFSA-N 362.907 4.660 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=S)NC3=O)cc2C(C)=CC1(C)C 208521891 LRBGFUBWYCAPAJ-CXUHLZMHSA-N 358.532 4.506 10 40 FJCB CCc1ccccc1-n1c(C)cc(/C=C2\SC(=O)N(CC)C2=O)c1C 408968386 WEUSOGXATIUUAN-PDGQHHTCSA-N 354.475 4.713 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3cccc(C)c3)C2=O)cc1 5602739 SNEWSHXUAITEPT-CJLVFECKSA-N 368.436 4.838 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)cc1Br 40865795 BDSDKJLEAHBXEV-OQLLNIDSSA-N 371.230 4.747 10 40 FJCB O=Cc1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 5375097 YSYMHLFUPDAMPO-DHDCSXOGSA-N 359.859 4.558 10 40 FJCB Cc1ccc(C)c(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)c1 35240769 KGSCLMUIRVQZSS-GZTJUZNOSA-N 354.500 4.574 10 40 FJCB CN(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1 3885010 PIINAXLADFXBHN-JQIJEIRASA-N 358.441 4.876 10 40 FJCB CCOc1cc(/C=C2\SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O 13547619 WAFFFVJKKCGOGT-BOPFTXTBSA-N 371.483 4.505 10 40 FJCB CCn1c(-c2ccc(C)cc2)cnc1SCC(=O)Nc1ccc(C)cc1 44085639 CFDMYCSFDAUSGT-UHFFFAOYSA-N 365.502 4.918 10 40 FJCB O=C1/C(=C/Nc2ccc3ccccc3c2)SC(=S)N1Cc1ccco1 618254454 ALQJFENFHILXET-BOPFTXTBSA-N 366.467 4.747 10 40 FJCB COc1ccc([C@@H]2CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)cc1 32751668 ULPDZBYRHHOCNA-IBGZPJMESA-N 355.478 4.741 10 40 FJCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)c1 5740890 RHXVPJFEJHXWIX-BWACUDIHSA-N 371.780 4.983 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)SC2=S)cc1C 1416411 JSIHOFDFHVMHJM-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB Cc1nnc(S[C@@H](C)C(=O)c2cc(C)n(-c3ccccc3)c2C)s1 6534266 XPSVKAZAVUPFTQ-ZDUSSCGKSA-N 357.504 4.618 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Cl)c1 6780991 GQFWCJOMGXRGIX-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 6963490 KKSNAODMDPWUAF-TXPKVOOTSA-N 351.362 4.638 10 40 FJCB COC(=O)c1ccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)cc1 408722396 IEAZQLSDTOAWPF-AQTBWJFISA-N 356.377 4.608 10 40 FJCB CCCN1C(=O)/C(=C/c2cc(C)n(-c3ccccc3)c2C)SC1=S 409349872 WNDFKLKMLFPGAJ-ATVHPVEESA-N 356.516 4.705 10 40 FJCB CN(C)c1ccc(/C=C2\SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 1308000 IERITWGUNZICFR-WJDWOHSUSA-N 374.918 4.812 10 40 FJCB CC[C@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(F)cc2)CCO1 4166394 GNRUCBIEUBRFDK-PKTZIBPZSA-N 371.496 4.928 10 40 FJCB CN1C(=O)/C(=C\c2cccc3cccnc23)c2cc(Br)ccc21 12804401 ZNCUSLCHPBUNGA-YBEGLDIGSA-N 365.230 4.514 10 40 FJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)ccn3)c2C)C1=O 409015288 ZHUCEYFCBXCZJH-VVBXCHJUSA-N 369.490 4.632 10 40 FJCB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2O)C[C@@H]1c1ccccc1 1283315 ZOFJXBBLZXKSMK-SFZDQAMXSA-N 368.436 4.783 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1ccccc1F)oc1ccccc12 11619260 WGOHISSBUCKTAM-UHFFFAOYSA-N 364.376 4.784 10 40 FJCB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(F)c(N3CCCC3)cc2C)C1=O 33665442 WUEVWVJJPGBYDV-VVBXCHJUSA-N 362.470 4.569 10 40 FJCB COc1cccc(N[C@H](c2ccccn2)c2ccc3cccnc3c2O)c1 1463225 JQWSGURQZZPYKY-NRFANRHFSA-N 357.413 4.546 10 40 FJCB CCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S 5715797 BKJXYNKLFHTQBO-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB Cc1sc(NS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccccc1 5332467 YJDDHWKNEPUZRC-UHFFFAOYSA-N 364.879 4.573 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3F)N(c3ccccc3)C2=O)cc1 408757320 YLUVBDPGPAMKFN-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)cc1 15008360 PSVJHVCUQCUABD-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB CCc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260735375 GZPGMDOAHSNVRX-KRWDZBQOSA-N 367.562 4.972 10 40 FJCB O=C1/C(=C\c2c[nH]c3ccccc23)C(C(F)(F)F)=NN1c1ccccc1 408970507 APGIBJNHNPLERK-GDNBJRDFSA-N 355.319 4.516 10 40 FJCB Cc1nc(SCC(=O)Nc2c3ccccc3nc3ccccc23)oc1C 19849901 NIAQOHNILRYHDK-UHFFFAOYSA-N 363.442 4.724 10 40 FJCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=N)NC3=O)c2)cc1C 408724305 ALNYNEMLRNKIRB-CWRHKCGHSA-N 352.419 4.563 10 40 FJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4140473 FMQCSUOOUCKXTD-ZOCZFRKYSA-N 364.401 4.633 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3O)SC2=S)cc1Cl 9188617 UCGFJNFBFUFIJD-NVNXTCNLSA-N 361.875 4.760 10 40 FJCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)c(Cl)c1 13005345 KJGQWDFRCYWGSY-NTUHNPAUSA-N 367.282 4.794 10 40 FJCB CCCCOc1ccccc1/C=C1\SC(N2CCC(C)CC2)=NC1=O 13759083 PMIFSLDQXAJLSH-JXAWBTAJSA-N 358.507 4.568 10 40 FJCB COc1ccc(-n2c(C)cc(/C=C3\SC(=O)N(C(C)C)C3=O)c2C)cc1 15012864 BTSAMZLTRSKFIL-WQRHYEAKSA-N 370.474 4.547 10 40 FJCB CC1=Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 15017053 JGCVLCAWBBSCOB-UHFFFAOYSA-N 368.849 4.927 10 40 FJCB C[C@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 26608653 XPGYUZFSXBBPSQ-IGWPVBGESA-N 355.484 4.658 10 40 FJCB COc1ccc(O)c([C@H](C)NC(=O)c2sccc2-c2ccccc2)c1 84647515 ZVYFERLVUOCMCD-ZDUSSCGKSA-N 353.443 4.620 10 40 FJCB Cc1ccc(CCC(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 225805898 RFPXZGSKKAWISV-GOSISDBHSA-N 364.533 4.789 10 40 FJCB COc1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 871817 DWRQJVRFOLULAC-MDOVXXIYSA-N 366.417 4.747 10 40 FJCB Cc1ccnc(N[C@@H](c2ccccc2F)c2ccc3cccnc3c2O)c1 4178900 LLJNUTJAVMTITA-NRFANRHFSA-N 359.404 4.984 10 40 FJCB Cc1c(-c2ccccc2)c(=O)oc2c(CN3CCC[C@H](C)C3)c(O)ccc12 4340367 BRCJYCBBVRVJQJ-HNNXBMFYSA-N 363.457 4.706 10 40 FJCB biogenic CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)SC2=S)cc1 5371879 HTSCRHAPGCCVRN-YBEGLDIGSA-N 373.886 4.948 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N(c2ccc(C)c(C)c2)C1=O 16663095 OOAVQTTVTYPZMO-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB Oc1c([C@@H](Nc2ccc(Cl)cn2)c2cccnc2)ccc2cccnc12 46085420 IUNDEYHMHSDNPH-SFHVURJKSA-N 362.820 4.585 10 40 FJCB O=C1/C(=C\Nc2cccc(Cl)c2)SC(=S)N1c1ccc(F)cc1 4553402 ZKHGSFUYPIMPNA-NTEUORMPSA-N 364.854 4.797 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(OC)cc1 103919204 ACEZAZIQDZJUPZ-ZHZULCJRSA-N 367.424 4.723 10 40 FJCB O=C1CSC([C@H](/N=N\c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 104298984 HMYOJHODMMXPRD-MOENWIOGSA-N 369.837 4.713 10 40 FJCB COc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCC(C)CC2)cc1 225769290 BXCCVFTXFGHEGJ-QGZVFWFLSA-N 367.493 4.814 10 40 FJCB Cc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c(C)n1C(C)(C)C 409168338 QOMYCINQAWTCHZ-GZTJUZNOSA-N 371.868 4.611 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3cccc(Cl)c3)SC2=S)cc1 5170464 VNHGLLSXKNWSQP-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB CS[C@@H](C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48342538 OYOGEYYBSLATSR-XOBRGWDASA-N 351.471 4.503 10 40 FJCB CCOc1ccc(/C=C2\SC(Nc3ccc(CC)cc3)=NC2=O)cc1 5373199 CGJUSQZHCCZBOT-AQTBWJFISA-N 352.459 4.730 10 40 FJCB CN1CCc2cc([C@H]3c4ccccc4C=CN3C(=O)c3ccccc3)ccc21 22114881 WTWHIAPDNBPPLX-DEOSSOPVSA-N 366.464 4.895 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1cccc(C)c1C 408964965 JFJBDSTYSFJZPM-QNGOZBTKSA-N 355.441 4.900 10 40 FJCB CCCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)c(C)c2)C1=O 409212413 PSTVAFPSTRIMTQ-JXAWBTAJSA-N 358.507 4.822 10 40 FJCB COc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 27644704 BDGXUWHJEXOCCX-FQEVSTJZSA-N 357.413 4.546 10 40 FJCB O=C(Nc1cccc(Cl)c1)N(Cc1ccco1)Cc1ccccc1O 40150520 IKDGYDUPZJWWSU-UHFFFAOYSA-N 356.809 4.873 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C(\Nc1ccccc1N)c1ccccc1 100989604 VPMWDTJUYJAXMU-DQRAZIAOSA-N 368.440 4.515 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1F 260897693 KCDLKRWLYLQZJT-HOTGVXAUSA-N 370.468 4.562 10 40 FJCB Cc1cc(C)cc(N=Nc2c(O)ccc3cc(S(=O)(=O)O)ccc23)c1 299888738 VQQWLGXUKLPWJQ-UHFFFAOYSA-N 356.403 4.824 10 40 FJCB CCCC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 801089 UVSUHNPGFMUNCC-LJQANCHMSA-N 368.864 4.908 10 40 FJCB COc1ccc([C@@H]2Nc3ccccc3N[C@@H]3CC(C)(C)CC(=O)[C@H]32)cc1 5011717 FYAQZPYDZGWNCA-GIVPXCGWSA-N 350.462 4.648 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(=O)N(c3ccc(F)cc3)C2=O)cc1 12112955 FJWYEZWWVTWYCH-AQTBWJFISA-N 370.449 4.913 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=O)N(C)C3=O)cc2C(C)=CC1(C)C 208521850 XUPUBMIUBYJEIW-LICLKQGHSA-N 356.491 4.683 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@@H](C)Oc3ccccc3)cc2)CC1 219488770 ANBSHPYKNRGUMA-RTBURBONSA-N 366.505 4.568 10 40 FJCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCCCC3)cc2)cc1C 224651221 HAZONCCXLITMMW-GOSISDBHSA-N 366.505 4.875 10 40 FJCB COc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260803045 YPKDGBWNVRSSPB-DLBZAZTESA-N 367.493 4.814 10 40 FJCB Cc1cccc(OCCn2c(CCC(=O)O)ccc2-c2ccccc2)c1C 409371423 WJZBXKPGNGMVBV-UHFFFAOYSA-N 363.457 4.868 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1Cl 225791711 XQKPJWNEJNFFDK-HNNXBMFYSA-N 372.896 4.830 10 40 FJCB O=C(COc1cccc2ccccc12)NCc1ccc(N2CCCCC2)cc1 218912579 LRSXPEFECWVARB-UHFFFAOYSA-N 374.484 4.525 10 40 FJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(Sc2ccccc2)o1 408767174 DUYFEVRSNSYRGW-UHFFFAOYSA-N 370.426 4.575 10 40 FJCB Cc1ccccc1-n1c(C)cc(C(=O)NCc2ccccc2Cl)c1C 3330339 YXYJZCOAHCSWOA-UHFFFAOYSA-N 352.865 4.986 10 40 FJCB COc1ccccc1N1C(=O)/C(=C\c2c[nH]c3ccccc23)SC1=S 34234465 RVENLOQVQPPPSV-LICLKQGHSA-N 366.467 4.582 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@H]1CC=C[C@@H]21 409150560 CRFMYCOVXFREOX-SIFCLUCFSA-N 364.401 4.516 10 40 FJCB COc1ccc([C@@H]2Nc3c(OC)ccc(C)c3[C@@H]3C=CC[C@H]32)cc1[N+](=O)[O-] 4140466 DWRQJVRFOLULAC-SXGZJXTBSA-N 366.417 4.747 10 40 FJCB COc1cccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccccc3)C2=O)c1 408764207 LQDGUNQUZOXPBX-CJLVFECKSA-N 368.436 4.838 10 40 FJCB COc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(Cl)cc1 408941402 DOJAZVQGSZYBCB-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 409170487 VYUFFIRRACOMFD-JXXFODFXSA-N 364.401 4.516 10 40 FJCB CCCCC(=O)N[C@@H](c1ccccc1Cl)c1ccc2cccnc2c1O 3894242 YJVWZPHTRDHQJX-FQEVSTJZSA-N 368.864 4.990 10 40 FJCB biogenic Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 5739818 MQKBUMHQHZUUDA-JTDSTZFVSA-N 365.389 4.946 10 40 FJCB CCN1C(=O)/C(=C\c2cccc(OCc3ccccc3F)c2)SC1=S 59418111 TXIMZILBQMWANI-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB Cc1ccc(O)c(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)c1 10215299 OCRZAFVNLBMSJS-XMSQKQJNSA-N 360.413 4.844 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219276300 ITETUKQASCVUAY-FQEVSTJZSA-N 364.533 4.960 10 40 FJCB CCc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225395401 SVNWYDQZXCWGEM-RTBURBONSA-N 364.533 4.905 10 40 FJCB C[C@H](NC(=O)Cc1ccccc1Cl)c1ccc(N2CCCCC2)cc1 225440132 OIDBEAGIRPTXGN-INIZCTEOSA-N 356.897 4.750 10 40 FJCB CCN(CC)c1ccc(CNC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225671148 GFKAXGYHZPKDJY-UHFFFAOYSA-N 368.521 4.903 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 13476764 KTKVCKOQUXUOJZ-AQTBWJFISA-N 373.368 4.661 10 40 FJCB CCN1C(=O)/C(=C\c2c(Cl)cc(Cl)c(O)c2Cl)SC1=S 113830630 QHYSJJWAXJFEEG-FPYGCLRLSA-N 368.694 4.574 10 40 FJCB O=C1/C(=C/c2cccnc2)SC(=S)N1c1ccc(Cl)cc1Cl 4083390 FPGSQNVUCIKVMM-MLPAPPSSSA-N 367.282 4.794 10 40 FJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cccc(Cl)c2)cc1 6804337 VIMRUFZDZCGBJU-UHFFFAOYSA-N 368.864 4.842 10 40 FJCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260592256 RZXVRUKDIDQDLK-ZWKOTPCHSA-N 366.505 4.813 10 40 FJCB Cc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)nc1 225671538 JLZLAVANUKVHFU-SJORKVTESA-N 368.550 4.674 10 40 FJCB O=C1/C(=C\c2ccccc2)N=C(c2ccc(F)cc2)N1c1ccc(F)cc1 408752793 CFSUSSHVSNUBOL-XSFVSMFZSA-N 360.363 4.799 10 40 FJCB CN(C)c1ccc(C(c2ccc(N(C)C)cc2)[C@H](O)c2ccccc2)cc1 1668171 PRTAWNIPSGXBMN-XMMPIXPASA-N 360.501 4.684 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 4675705 PYUAYCFNJSPPJH-FTRWYGJKSA-N 350.418 4.992 10 40 FJCB CCN(CC(=O)Nc1c(C)cccc1C(C)C)Cc1ccc(N(C)C)cc1 7362302 PLXZJLOKYTZQRB-UHFFFAOYSA-N 367.537 4.645 10 40 FJCB CC[C@@H]1c2ccsc2CCN1C(=O)c1cc(C)n(-c2ccccn2)c1C 32809677 OQOMZQIYYBECTE-GOSISDBHSA-N 365.502 4.700 10 40 FJCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1C 224651173 HAZONCCXLITMMW-SFHVURJKSA-N 366.505 4.875 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 409171162 YIQBLUYABPJBAK-JXXFODFXSA-N 364.401 4.516 10 40 FJCB COC(=O)c1ccc([C@H]2Nc3c(OC)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1 4320921 LSEUQOBRAOITCE-YZVOILCLSA-N 369.848 4.962 10 40 FJCB CCN(CC)Cc1cc2c(cc1O)CC[C@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 6382507 SYEMTPLYSXPSEN-DSXMGRQXSA-N 355.522 4.659 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C\c3ccccc3Cl)SC2=S)cc1 7621597 RLQULDNKMJXBGH-LFIBNONCSA-N 374.918 4.812 10 40 FJCB CCOc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)SC1=S 1241051 NTFOJYOOMJLILC-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB CCCCCN1C(=O)/C(=C/c2ccc(N(CC)CC)cc2)SC1=S 2672603 SVUZJWPCROAHCW-VKAVYKQESA-N 362.564 4.924 10 40 FJCB CC(C)(C)c1ccc(-c2csc(NS(=O)(=O)c3ccccc3)n2)cc1 2763197 ZTSABONKJWKXMG-UHFFFAOYSA-N 372.515 4.908 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(C)c(C)c2)C1=O 1241273 OOAVQTTVTYPZMO-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB Clc1ccc(OCc2nc(-c3ccc(-n4cccc4)cc3)no2)cc1 3642517 PVZIHNILDYLKNG-UHFFFAOYSA-N 351.793 4.760 10 40 FJCB O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(Cl)cc1Cl 4590508 DHQRDEZELJCRSB-ZROIWOOFSA-N 355.290 4.840 10 40 FJCB CCN1C(=O)/C(=C\c2ccc(Sc3ccc(C)cc3)o2)SC1=S 5790779 NCIURJKRCNTPKX-GXDHUFHOSA-N 361.513 4.960 10 40 FJCB Cc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)c(C)n1-c1cccc(F)c1 409024040 RYIOUFHVLMTHTE-RQZCQDPDSA-N 358.438 4.678 10 40 FJCB [N-]=[N+]=NCC(=O)N1N=C(c2cccc3ccccc23)C[C@@H]1c1ccccc1 102828719 LNZDJJZFWGNVQH-HXUWFJFHSA-N 355.401 4.828 10 40 FJCB N=c1[nH]n2cc3c(nc2c1/N=N\c1ccc(Cl)cc1)-c1ccccc1CC3 104229646 ZRLPNVQBJNKCRS-IZHYLOQSSA-N 374.835 4.976 10 40 FJCB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 225395354 SVNWYDQZXCWGEM-MOPGFXCFSA-N 364.533 4.905 10 40 FJCB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4155627 CNNAEZHUZYDGLU-JOTDFLBESA-N 351.406 4.932 10 40 FJCB CCN(CC)CCN1C(C)=CC(=Cc2sc3ccccc3[n+]2C)C=C1C 5444971 DGGKNDUJNDETDA-UHFFFAOYSA-N 368.570 4.574 10 40 FJCB C/C(Nc1cccc(C)n1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 103920307 BIBMUZWTTDCZEU-FXBPSFAMSA-N 368.440 4.527 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)cc1 5551898 CWBILTVBECMBQG-WJDWOHSUSA-N 370.455 4.563 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 223395347 STLLIYZRNBDWOJ-FQEVSTJZSA-N 364.533 4.960 10 40 FJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408768376 IHVRCFMVVTUUNN-ZHZULCJRSA-N 361.441 4.687 10 40 FJCB CCOc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccco2)cc1 873630 PHJNLQZMZPGSAG-UHFFFAOYSA-N 364.445 4.591 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccc(F)cc2)N(c2ccccc2)C1=O 408762617 LKIAZXZESOVUOO-HMMYKYKNSA-N 372.399 4.669 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 58928972 XIBCVKVJXSINML-TYILLQQXSA-N 365.389 4.946 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CCCOc2ccc(Cl)cc2)cc1 225803852 JFYYSASYZYJPMH-UHFFFAOYSA-N 374.912 4.662 10 40 FJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(n2c(C)ccc2C)C1=O 409196821 RIGNWKHPCIZIBD-QKIOLIMFSA-N 354.500 4.589 10 40 FJCB CCOc1ccccc1N1C(=O)/C(=C/C=C/c2ccco2)SC1=S 2453022 KZFHUNNTWBTLOA-PFKGSKDKSA-N 357.456 4.640 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)c1 5371157 CJNUPGHHDVACGD-YVLHZVERSA-N 353.468 4.603 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 409175816 VFEFVOILOYCASW-VBQJREDUSA-N 371.780 4.983 10 40 FJCB CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(Cl)cc2)cc1 6673390 MMNGHZGRYRCPHT-UHFFFAOYSA-N 368.864 4.842 10 40 FJCB CSc1ccc(C[C@@H]2SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1 8372394 FJUVFBZDOHAWOP-KRWDZBQOSA-N 373.568 4.689 10 40 FJCB CN(C)c1ccc(N=Nc2ccc(I)cc2)cc1 254488220 JSCFDMNXBTVUTH-UHFFFAOYSA-N 351.191 4.773 10 40 FJCB COC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(C(C)C)cc1 408767711 GKVMAONOAHMMKA-ZHZULCJRSA-N 367.489 4.815 10 40 FJCB CCCN1C(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)SC1=S 409339129 FCWOVGJUCDVLOT-AQTBWJFISA-N 369.511 4.877 10 40 FJCB O=C(C(=O)c1ccc(-c2ccncc2)cc1)c1ccc(-c2ccncc2)cc1 2048532844 WMGXFGWLIHZWNA-UHFFFAOYSA-N 364.404 4.876 10 40 FJCB Cc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3O)C2)c1 95115931 DBZDGKIGYWCHPE-SFHVURJKSA-N 362.454 4.754 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1cccc(F)c1)oc1ccccc12 11619291 XEIDCDAXQILVMA-UHFFFAOYSA-N 364.376 4.784 10 40 FJCB Cc1cccc(N2C(=O)/C(=C/c3nc4ccccc4[nH]3)SC2=S)c1C 2352906 MMYBJDJJGLTIBY-YBEGLDIGSA-N 365.483 4.586 10 40 FJCB O=S(=O)(Nc1nc(-c2ccccc2)cs1)c1ccc2ccccc2c1 3362378 SMVPHQDGCPTAJR-UHFFFAOYSA-N 366.467 4.764 10 40 FJCB COc1ccccc1C(=O)N(Cc1ccccc1O)c1c(C)cccc1C 5755967 JIGXXFRVKODNCY-UHFFFAOYSA-N 361.441 4.865 10 40 FJCB Cc1cccc(N[C@@H](c2ccc(O)cc2)c2ccc3ccc(C)nc3c2O)n1 5900687 GHAJWLCLZNLXNM-NRFANRHFSA-N 371.440 4.859 10 40 FJCB Oc1ccccc1CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 819461 BEWKCMFWZLJERS-UHFFFAOYSA-N 373.496 4.540 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)c(C)c1 6626920 CVNWRBUNUFPEKT-YVLHZVERSA-N 352.459 4.708 10 40 FJCB CN(C)c1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccco2)cc1 2410573 IFRIJXPBIJQSSL-NRFANRHFSA-N 352.453 4.797 10 40 FJCB COCCn1c(C)cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1C 3648521 AAHJJCIXYGUAAR-CJLVFECKSA-N 372.468 4.970 10 40 FJCB N=C1/C(=C/C=C/c2ccccc2)C(=O)N=C2SC=C(c3ccccc3)N12 4183528 XCPCNLFRXYONGF-FMBGEUSESA-N 357.438 4.547 10 40 FJCB CC(=C\c1ccccc1)/C=C1/SC(=S)N(c2cccc(O)c2)C1=O 4853674 XHYJCAWXBIWNPV-YAXRHUFXSA-N 353.468 4.744 10 40 FJCB CCCOc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 2674224 FMIBBJGKJOHINX-QGOAFFKASA-N 369.511 4.877 10 40 FJCB O=C1/C(=C\C=C\c2cccc([N+](=O)[O-])c2)SC(=S)N1c1ccccc1 13942145 ACCUNNQMMUCLQA-LLPGWTFISA-N 368.439 4.557 10 40 FJCB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@H]2c1ccccc1O 17074426 WDSIZFNTUDRHFM-IBGZPJMESA-N 361.445 4.912 10 40 FJCB CCCCN1C(=O)/C(=C2/Sc3ccc(Cl)cc3N2C)SC1=S 72336396 CWRYZCCXQKCSEM-OWBHPGMISA-N 370.952 4.711 10 40 FJCB CN(C)c1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccco2)cc1 2410574 IFRIJXPBIJQSSL-OAQYLSRUSA-N 352.453 4.797 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)c2ccccc21 13602820 NANVUKJYZQSJIV-WQRHYEAKSA-N 364.495 4.580 10 40 FJCB O=C1/C(=C/c2ccc3ccccc3n2)SC(=S)N1Cc1ccccc1 20414047 VUAJROWMEBVUEB-PDGQHHTCSA-N 362.479 4.636 10 40 FJCB COc1ccc(CCN(C)Cc2cc(C(C)C)c(C)cc2O)cc1OC 3351737 PEXBTCOUWFZDKL-UHFFFAOYSA-N 357.494 4.516 10 40 FJCB Cc1cc(C(=O)CSC2CCCC2)c(C)n1-c1ccc2c(c1)OCO2 5635769 JAGKSBBYVNINIT-UHFFFAOYSA-N 357.475 4.681 10 40 FJCB O=C(NCc1ccc(N2CCCC2)cc1)/C(=C/c1ccco1)c1ccccc1 13671561 FMPXKCVSPRYMIZ-HAVVHWLPSA-N 372.468 4.737 10 40 FJCB CC1=CN2C(=N)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2S1 33771698 HCFNHUVNMFSGKY-ZKSCCFDSSA-N 369.833 4.767 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1ccc(CC)cc1 409062337 SCKIRPXZTSHXIG-HKWRFOASSA-N 361.441 4.516 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)cc1 35040880 BYWTZMBPWXRKGN-QGOAFFKASA-N 368.527 4.721 10 40 FJCB CCOC(=O)[C@@H](C(C)C)n1c(C)ccc1-c1ccc(Br)cc1 95951456 XBHKWGABOLDMOW-QGZVFWFLSA-N 364.283 4.986 10 40 FJCB Cc1cccc(N2C(=O)/C(=C3/Sc4ccccc4N3C)SC2=S)c1 4083711 ADQZDMRMUCNHQT-ICFOKQHNSA-N 370.524 4.771 10 40 FJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 20704188 FNZYWIBMBPUFFA-VFVRVIDISA-N 371.780 4.983 10 40 FJCB C=CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3F)C2=O)c1 33828364 LYTYKFBTKQNTGO-ATVHPVEESA-N 371.458 4.796 10 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C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CSc3ccccc3)cc2)C1 260466462 SPAGISHGGODDDE-ZWKOTPCHSA-N 368.546 4.892 10 40 FJCB CCOc1ccc(CN(C)Cc2c(O)ccc3ccc(OC)cc23)cc1 7077428 MHLWKHHWGPXQOD-UHFFFAOYSA-N 351.446 4.585 10 40 FJCB O=C1/C(=C\c2ccc(O)c(Cl)c2)SC(=S)N1C1CCCCC1 15008866 VFPSNLBPMLJXJU-NTEUORMPSA-N 353.896 4.580 10 40 FJCB CS[C@@H](C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48342542 OYOGEYYBSLATSR-VBKZILBWSA-N 351.471 4.503 10 40 FJCB Cc1cc2c(cc1/C=C1/SC(=S)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223599191 LCXHHKSLPFDNMU-YRUBURHZSA-N 374.575 4.984 10 40 FJCB Cc1cc2c(cc1/C=C1/SC(=S)NC1=O)[C@H](C)CC(C)(C)N2C(C)C 223599249 LCXHHKSLPFDNMU-LFMVTYOGSA-N 374.575 4.984 10 40 FJCB C[C@@H](NC(=S)Nc1ccc(F)cc1F)c1ccc(N2CCCC2)cc1 225695109 VPRDMOYWJAYVFX-CYBMUJFWSA-N 361.461 4.613 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 409155227 COTOOUWIOBSCKX-DCGLDWPTSA-N 371.780 4.983 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3nc4ccccc4[nH]3)SC2=S)cc1C 4460727 WYUCVUZYIQFVSG-MHWRWJLKSA-N 365.483 4.586 10 40 FJCB CC(C)N1C(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)SC1=S 14198333 FVFVOPUQPCVSHR-NTUHNPAUSA-N 364.492 4.559 10 40 FJCB C[C@H](NC(=S)Nc1cccc(F)c1)c1ccc(N2CCCCC2)cc1 225664214 JWLYRDPVMNAKCZ-HNNXBMFYSA-N 357.498 4.864 10 40 FJCB Cc1ccc(Sc2ccc(/C=C3/SC(=S)N(C)C3=O)cc2)cc1 408532224 NNWKXXGTLQZHJN-LFIBNONCSA-N 357.525 4.977 10 40 FJCB Cc1ccc2nc(-c3ccc(C)o3)c(Nc3ccc4c(c3)OCCO4)n2c1 3909818 JJVZUQDJQUVOMA-UHFFFAOYSA-N 361.401 4.726 10 40 FJCB aggregator CCc1ccc(/C=C2\SC(=S)N(c3cccc(C(C)=O)c3)C2=O)cc1 5372249 IJUVIQPBYYIOPO-WQRHYEAKSA-N 367.495 4.857 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1sccc1C 408769183 LQNJSTIGDNNPBQ-BOPFTXTBSA-N 367.470 4.551 10 40 FJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 2578380 JYGSSKLRBHATMN-VEVIJQCQSA-N 370.792 4.773 10 40 FJCB Cc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 408761664 ALTHXCHMAWXBKM-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB O=C1OC(c2ccc(-c3ccccc3)cc2)=C/C1=C\c1ccc([N+](=O)[O-])o1 409054704 VTKUJIRIJMNOPS-SFQUDFHCSA-N 359.337 4.836 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccc(F)cc3)c2C)cc1C 6780956 IVZIQBMMYIWTLA-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB CCc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 6780960 LYAMEMWSQWJNJQ-UHFFFAOYSA-N 364.420 4.617 10 40 FJCB C/C(NC1CCCCC1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 17074152 CRYUPKQXGWGUIR-FXBPSFAMSA-N 359.473 4.634 10 40 FJCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)cc1C 225693799 VQRCJMATZFCIFX-QGZVFWFLSA-N 353.535 4.951 10 40 FJCB CCCN1C(=O)N/C(=C/c2cc(C)n(-c3ccc4ccccc4c3)c2C)C1=O 409243284 ZUXLYJCPJCVXNJ-KGENOOAVSA-N 373.456 4.550 10 40 FJCB CCc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccccc2F)c1C 6780962 KLMFYOAWDRWMRQ-UHFFFAOYSA-N 364.420 4.617 10 40 FJCB COc1cccc(/C=C2/SC(=S)N(c3ccc(C)c(C)c3)C2=O)c1 96921075 AIQPZDTUYDJOBU-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB O=C(CCSCc1ccccc1)NCc1ccc(N2CCCCC2)cc1 218995885 KNEUHVSIXPSIOI-UHFFFAOYSA-N 368.546 4.617 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c(C)c1 222678168 DVNJWEIWURHSIQ-IBGZPJMESA-N 350.506 4.714 10 40 FJCB CCOc1cc([C@@H]2Nc3ccc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)ccc1OC 408736178 JTDYDLBHLDWAAG-XFQAVAEZSA-N 365.429 4.619 10 40 FJCB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(N(C)C)cc2)SC1=S 1454885 BBHUPIMHPPGURS-VVTMIQRTSA-N 368.527 4.715 10 40 FJCB OC1(c2ccccc2)CCN(c2c3ccccc3nc3ccccc23)CC1 31750253 DRWCZCTXMQCLFM-UHFFFAOYSA-N 354.453 4.876 10 40 FJCB COc1cc(Cl)c(C)cc1NCc1cc(Br)ccc1O 44836271 AQHJRAHTIYUMLK-UHFFFAOYSA-N 356.647 4.737 10 40 FJCB C/C(NCc1cccs1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112119045 WWABBZUGZUYZSU-SILNSSARSA-N 373.481 4.563 10 40 FJCB O=C1[C@@H](Nc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1 9553412 OKEUPHNDHBZKEH-ZDUSSCGKSA-N 368.405 4.508 10 40 FJCB CC(C)c1ccc2c(c1)[C@@H](N1CCNCC1)Cc1ccc(F)cc1S2 19802326 AQGYXBXZRINPFW-IBGZPJMESA-N 356.510 4.603 10 40 FJCB CCCc1cc(=O)oc2c(CN3CCCC[C@H]3CC)c(O)c(Cl)cc12 20332028 YVJZCSTYCGPQEY-CQSZACIVSA-N 363.885 4.869 10 40 FJCB CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\c1cccc(OC(F)F)c1 97831243 PSKPWKJZCVMSHH-SXGWCWSVSA-N 362.763 4.748 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)NC1CCCCCC1 103917781 XLOHXUWKCUIYQO-HKWRFOASSA-N 357.473 4.915 10 40 FJCB Cc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)n1 260742195 TYIYHQYSNDOUEL-RDJZCZTQSA-N 368.550 4.674 10 40 FJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccc(F)cc1)[C@@H]1CC=C[C@H]21 4132398 SGPUZLGKSHUKSR-FCEWJHQRSA-N 354.381 4.959 10 40 FJCB COc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C(C)(C)C)cc1OC 5187191 VHTXPNNVNIEXOD-LGMDPLHJSA-N 364.445 4.536 10 40 FJCB COc1ccc(C)cc1N[C@H](c1ccccn1)c1ccc2cccnc2c1O 13816209 CBKAKNIYXPYCGO-QFIPXVFZSA-N 371.440 4.854 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(F)cc3)cc2)C1 217912869 KYEQDVCHTFVJCJ-UBAQAOMRSA-N 366.480 4.953 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccccc3Cl)c2C)C1=O 409070305 NWMBNZNMYWLPEV-MHWRWJLKSA-N 360.866 4.804 10 40 FJCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 58850431 PNMQFGGFMZDTEY-UHFFFAOYSA-N 360.866 4.548 10 40 FJCB COc1ccc([C@H]2C[C@@H](c3ccccc3O)Nc3nc4ccccc4n32)cc1 72332976 ZKFDBWDVBPKZCT-PZJWPPBQSA-N 371.440 4.897 10 40 FJCB CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)ccc1O 1249948 WAFFFVJKKCGOGT-GZTJUZNOSA-N 371.483 4.505 10 40 FJCB CN(C)c1ccc(CN(C(=O)c2ccc(Cl)cc2)c2ccccn2)cc1 28286830 IUIMXIUGZCSPIP-UHFFFAOYSA-N 365.864 4.648 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2c2cccc(C)c2)cc1 408759035 WUJHSTJQVLIYKS-XSFVSMFZSA-N 374.465 4.900 10 40 FJCB O=C(Nc1ccc(Cl)cc1)c1ccc2c3c(onc13)-c1ccccc1C2=O 850487 CKJGTKWWVVMKCR-UHFFFAOYSA-N 374.783 4.945 10 40 FJCB CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3C)c2)SC1=S 1181025 RLSJBENAHRZOQZ-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 6943614 ZZUQVBZLDCGSJG-ZWOKBUDYSA-N 350.418 4.992 10 40 FJCB Cc1ccsc1/C=C1/SC(=S)N(c2ccc(N(C)C)cc2)C1=O 7209142 DSAVQNOXKVFCKE-XNTDXEJSSA-N 360.529 4.528 10 40 FJCB O=C1N=C(S)S/C1=C\c1cccn1Cc1ccc(Cl)cc1Cl 17075692 JUJAXUCTHXQFOA-QPEQYQDCSA-N 369.298 4.743 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219274417 QCYMIRAUZMHSMK-RTBURBONSA-N 350.506 4.651 10 40 FJCB C/C(=C\c1ccc(/N=[N+](\[O-])c2ccc(/C=C(\C)C(=O)O)cc2)cc1)C(=O)O 13407874 RJTGTIAFUNVMMN-MFDJBEJFSA-N 366.373 4.588 10 40 FJCB COCCn1c(-c2ccc(OC)cc2)cnc1SCc1ccc(F)cc1 44085878 ZBRHRFQFYFFRDM-UHFFFAOYSA-N 372.465 4.637 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)/C=C/c3ccc(F)cc3)cc2)C1 260466263 KYEQDVCHTFVJCJ-XQMGMDATSA-N 366.480 4.953 10 40 FJCB Nc1c(Cl)cc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1Cl 708480 ZBABQZJNDCGKIF-UHFFFAOYSA-N 357.196 4.529 10 40 FJCB CCN1C(=O)/C(=C2/Sc3ccccc3N2c2ccccc2)SC1=S 4117326 YLFTULBHSGJARE-ICFOKQHNSA-N 370.524 4.980 10 40 FJCB COc1ccc([C@H]2CCCN2Cc2cc(C(C)(C)C)cc(O)c2O)cc1 32751669 ULPDZBYRHHOCNA-LJQANCHMSA-N 355.478 4.741 10 40 FJCB COc1ccc(N2CCO[C@@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216726411 MICVQPXLZCXBLS-HXUWFJFHSA-N 354.837 4.675 10 40 FJCB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccccc1 222636676 YHQRSOSEYLOZSV-DQLDELGASA-N 374.513 4.770 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2F)cc1 408761891 MFLDACBEDHXGLR-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB O=C1/C(=C\c2cc(Cl)ccc2O)C(c2ccccc2)=NN1c1ccccc1 409080133 LMOSKVJEFCJSQV-RGEXLXHISA-N 374.827 4.880 10 40 FJCB Cc1cccc(NCc2cc(Br)cc(Br)c2O)c1 409111239 BOYXMFYMMTXMQF-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB CCCCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)SC1=S 13124182 ICCYRAKGFFQZQU-LSQIQBGYSA-N 372.559 4.842 10 40 FJCB Cc1oc2c(CN3CCC[C@@H](C)C3)c(O)ccc2c(=O)c1-c1ccccc1 20358318 ULLJHZIGKGQYED-OAHLLOKOSA-N 363.457 4.706 10 40 FJCB biogenic CC1=NN(c2ccccc2)C(=O)/C1=C/c1ccc(N2CCCCC2)cc1C 75272821 JQFGVAXBEUEWKR-CJLVFECKSA-N 359.473 4.791 10 40 FJCB Oc1cc2c(cc1CN1CCC[C@H](c3nc4ccccc4s3)C1)CCC2 7977101 RBNXKWNUJIIZMV-KRWDZBQOSA-N 364.514 4.870 10 40 FJCB Oc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Cl)cc2)c(O)c1O 5164530 MPGALUOIAMUVGK-UHFFFAOYSA-N 370.714 4.533 10 40 FJCB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccc(N(CC)CC)cc1 222587432 LZATWTCDZBPIIV-LJQANCHMSA-N 374.912 4.660 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 13632984 KPXLFBDJKVKOJT-ZRGWGRIASA-N 351.362 4.638 10 40 FJCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Cl)cc3C)C2=O)cc1 112118618 ZPTJVVCYGUOJGS-UYRXBGFRSA-N 369.852 4.766 10 40 FJCB O=C1/C(=C\c2ccc(Cl)cc2)C(C(F)(F)F)=NN1c1ccccc1 408970953 BLBAIKOBDXDSEL-UVTDQMKNSA-N 350.727 4.689 10 40 FJCB COc1cccc(/C=C2\SC(=S)N(c3cc(C)ccc3C)C2=O)c1 5371311 MIGBDSZETIRHNZ-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB COC(=O)c1ccccc1N/N=N/c1ccc2c(=O)c3ccccc3[nH]c2c1 18066054 UIVIBTBYFDHKIJ-UHFFFAOYSA-N 372.384 4.579 10 40 FJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccccc1OCC 112116894 CKCMQJRIGOTMGM-PGMHBOJBSA-N 363.461 4.974 10 40 FJCB Clc1ccc2ccc(/C=C/c3ccc(N4CCOCC4)cc3)nc2c1 12553587 RCZMKXHQMBJCSE-LREOWRDNSA-N 350.849 4.895 10 40 FJCB Cc1ccc(NCc2cc(Br)ccc2O)c(Br)c1 44836254 KYIZWVKSTIPCQR-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB Cc1ccc(-c2cc3c(n2-c2ccc4c(c2)OCO4)C[C@H](C)CC3=O)cc1 6627506 KGZPNCKZJBHONA-HNNXBMFYSA-N 359.425 4.946 10 40 FJCB CCCC1=NN(c2ccc(F)cc2)C(=O)/C1=C\NCc1ccc(Cl)cc1 12410864 MDYMNDSDUVKULX-AQTBWJFISA-N 371.843 4.656 10 40 FJCB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 58850455 NCDFUGSJBQPGQR-UHFFFAOYSA-N 374.893 4.857 10 40 FJCB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 224554990 NDCFMFXDFHDUEM-JOCHJYFZSA-N 368.521 4.623 10 40 FJCB CC(=O)c1ccc(N/C=C2\C(=O)N(c3ccc(C)c(Cl)c3)N=C2C)cc1 408529932 KNIGFDWRSYTTQC-WQRHYEAKSA-N 367.836 4.570 10 40 FJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc(C(C)C)cc1 408815842 SMGYHGCVUREFCO-WQRHYEAKSA-N 354.475 4.884 10 40 FJCB CN(C)c1ccc([C@H]2c3ccccc3C=CN2C(=O)c2ccccc2)cc1 3039504 QMVNBACYRVAZAO-QHCPKHFHSA-N 354.453 4.969 10 40 FJCB Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72216799 DYOMDUULERLUOA-OAQYLSRUSA-N 359.473 4.857 10 40 FJCB Cc1noc(C)c1COC(=O)c1ccccc1/N=N/c1ccc(O)cc1 28115565 XSNVZKOBECLLMO-QZQOTICOSA-N 351.362 4.769 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 409171282 ZZUQVBZLDCGSJG-UWVAXJGDSA-N 350.418 4.992 10 40 FJCB O=C1N=C(Nc2ccccc2C(=O)O)S/C1=C\c1cccc2ccccc12 5520327 DWIRHJPQWHRMEG-PDGQHHTCSA-N 374.421 4.620 10 40 FJCB CCOc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 13389397 MGMWGGWTLFZCCQ-QEEYODRMSA-N 366.417 4.829 10 40 FJCB COc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc34)C(=O)O2)c(OC)c1 408723440 UVHSTGJGBGKQIN-RVDMUPIBSA-N 374.392 4.544 10 40 FJCB COc1cc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)ccc1C 409348902 TZIDLYKUWKGLSU-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB O=C1/C(=C\Nc2ccccc2Cl)SC(=S)N1C1CCCCC1 5031286 NICADIXPHKUFMQ-GXDHUFHOSA-N 352.912 4.786 10 40 FJCB O=C(c1ccccc1)[C@]1(c2ccccc2)NN=C(Cc2ccccc2)S1 5515937 RCQYHNBLAIILDM-JOCHJYFZSA-N 358.466 4.615 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 3069355 RAZHKERXQATJKJ-WJDWOHSUSA-N 370.455 4.563 10 40 FJCB CC(C)c1ccc(Nc2c(-c3ccc(O)c(O)c3)nc3ncccn23)cc1 35606428 YDXJIOAHJBEJHG-UHFFFAOYSA-N 360.417 4.675 10 40 FJCB Cc1ncsc1C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48360813 JGHARIMGJBIMDT-FQEVSTJZSA-N 374.465 4.830 10 40 FJCB CCOP(=O)(OCC)c1cc(/N=N/c2ccc(OC)cc2)ccc1O 13628690 YZABCKFNIBAJJO-VHEBQXMUSA-N 364.338 4.708 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C\Nc1cccc(Cl)c1Cl 100148607 BRHCXTWZCJKXLT-LCYFTJDESA-N 364.207 4.851 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1F 260897694 KCDLKRWLYLQZJT-JKSUJKDBSA-N 370.468 4.562 10 40 FJCB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 100208300 RDBQQYYJEXBQFD-UYRXBGFRSA-N 369.505 4.703 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccc(SC)cc3)SC2=S)cc1 5513769 BQXJCEGVQHHEGQ-LFIBNONCSA-N 373.524 4.823 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1ccc(Cl)cc1 6780994 CBIDDKLULXVGIZ-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccc(OCC)cc3)=NC2=O)cc1 6870279 FKVGHVSKVQQKOX-QGOAFFKASA-N 368.458 4.566 10 40 FJCB Cc1ccc(S[C@H](C)C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13632870 KOJSZEZLKKIGRA-GOSISDBHSA-N 368.546 4.782 10 40 FJCB [O-][N+]1(Cc2cc(Nc3ccnc4cc(Cl)ccc34)ccc2O)CCCC1 44136007 VLCOGSMGGJRHOM-UHFFFAOYSA-N 369.852 4.946 10 40 FJCB in-vitro CC(=O)Nc1ccc(-c2nc(-c3ccc(N(C)C)cc3)sc2C)cc1 12557925 NXPLLAHMVQDLJG-UHFFFAOYSA-N 351.475 4.810 10 40 FJCB Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72216858 MICOFGVKDDVPDL-NRFANRHFSA-N 359.473 4.857 10 40 FJCB CCN1C(=O)/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC1=S 5952465 HDTULMGCFJWNAQ-RIYZIHGNSA-N 367.854 4.960 10 40 FJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccc(F)cc1 6961680 WNPZKJJWCZVNTI-HXUWFJFHSA-N 351.450 4.930 10 40 FJCB CCc1ccc(/C=C2\SC(=S)N(CCOc3ccccc3)C2=O)cc1 9188351 HCKNIHDBQIWCTK-JXAWBTAJSA-N 369.511 4.529 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1cccc(C)c1 408587165 RMZVLLNHHRLLSH-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB CN1CCN(C2=Cc3ccccc3Sc3cc(F)c(Cl)cc32)CC1 19802391 IJPYWKZIRIFQGO-UHFFFAOYSA-N 360.885 4.689 10 40 FJCB CCCCOC(=O)c1ccc(/N=N/c2cc(C=O)c(O)c(OC)c2)cc1 70462740 XOXCATDMBFXTLG-QZQOTICOSA-N 356.378 4.586 10 40 FJCB Cc1ccc([C@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1 801090 NSHKLFCPKDWPFW-SFHVURJKSA-N 368.864 4.764 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)c1 408753421 MRGPMHQLKORLCN-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB COc1cccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@@H]3C=CC[C@@H]32)c1 408826761 CXENODCXSVUZPW-VKJFTORMSA-N 355.821 4.873 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3cccc(F)c3)SC2=S)cc1 5791098 JQEYBZZDVAOHQJ-LFIBNONCSA-N 359.447 4.630 10 40 FJCB [N-]=[N+]=NCC(=O)N1N=C(c2cccc3ccccc23)C[C@H]1c1ccccc1 102828714 LNZDJJZFWGNVQH-FQEVSTJZSA-N 355.401 4.828 10 40 FJCB COc1cccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)c1 209615066 GCNWOGZMFCMHFV-LTGZKZEYSA-N 354.409 4.530 10 40 FJCB CCOC(=O)c1sc2nc3c(c(-c4ccccc4)c2c1N)CSCC3 8706677 RNIQPNDTODHBIR-UHFFFAOYSA-N 370.499 4.512 10 40 FJCB CC[C@H](C)Oc1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 408905335 XLEYJTQPRZAXBI-SJPXOZHESA-N 364.445 4.679 10 40 FJCB O=C1[C@H](Cc2ccc(F)cc2)SC(=S)N1CCC1CCCCC1 409141289 MXMXVMKECCEVRT-INIZCTEOSA-N 351.512 4.568 10 40 FJCB O=C1/C(=C\c2ccco2)SC(=S)N1c1cccc(C(F)(F)F)c1 4838682 HPKXVULFTFDFGH-XYOKQWHBSA-N 355.362 4.704 10 40 FJCB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=S)N(C(C)C)C3=O)o2)cc1 5860079 MXFWVXBYOMPAJC-LICLKQGHSA-N 371.483 4.759 10 40 FJCB O=C1c2ccccc2N[C@H](c2ccc(O)c(O)c2)N1c1ccc(Cl)cc1 12632020 FLOLNFFZBVGROL-IBGZPJMESA-N 366.804 4.522 10 40 FJCB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1-c1ccccc1 222636793 YHQRSOSEYLOZSV-NDXORKPFSA-N 374.513 4.770 10 40 FJCB COc1ccc(/C=C2/C=C(c3ccc4ccccc4c3)OC2=O)c(OC)c1 408722914 OGUZUDBJONYLRE-UNOMPAQXSA-N 358.393 4.838 10 40 FJCB C[C@H]1CN(C2CC2)C[C@@H]1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O 1657509798 RMVTUSIBMGVHDT-YWZLYKJASA-N 358.570 4.560 10 40 FJCB O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)c1 6220967 FSBDTSUBJZREMF-IIYDPXPESA-N 371.780 4.983 10 40 FJCB CCc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccccc3F)c2C)cc1 6780958 XUQWSQBHFCHBOB-UHFFFAOYSA-N 364.420 4.617 10 40 FJCB Cc1cccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 726248 JKMMCROSCHFZIH-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB CCN1/C(=C2\SC(=S)N(C3CCCCC3)C2=O)C=Cc2ccccc21 2066069 QSAOJMBUFPYATO-ZCXUNETKSA-N 370.543 4.944 10 40 FJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C/Nc1cccc(C(F)(F)F)c1 5333820 RTVGVSVVVBJARP-GZTJUZNOSA-N 359.351 4.732 10 40 FJCB Cc1cccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c1C 5533135 DVGAEDMLYBTGQZ-PDGQHHTCSA-N 368.527 4.775 10 40 FJCB CN(Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12)C1CCCCC1 19792789 DSQUXBQVEJUUOM-UHFFFAOYSA-N 363.457 4.930 10 40 FJCB biogenic COc1ccccc1N/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 5021796 RQEKGBHKGCEYSB-IGWPVBGESA-N 370.499 4.570 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)cc1 6266719 TXNXCUHTXNRTQB-LFIBNONCSA-N 359.447 4.630 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H]3C=CC[C@H]32)cc1 96006162 OBPDCWYINFBKTO-RKVPGOIHSA-N 370.246 4.974 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(OC)c1)N2 409171354 ZPGWJARJBQUHDE-SPYBWZPUSA-N 369.848 4.962 10 40 FJCB COc1ccc(-c2ccc(CCC(=O)O)n2-c2ccccc2Cl)cc1 3662678 RKLNHZNVPLYGJJ-UHFFFAOYSA-N 355.821 4.824 10 40 FJCB c1coc([C@@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCCC2)c1 22921832 SHZKTWVPLDALAU-JOCHJYFZSA-N 367.537 4.587 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3ccccc3)N=C2c2ccccc2)cc1 2267852 NAUVXHOOWFKBAN-LTGZKZEYSA-N 354.409 4.530 10 40 FJCB CCOc1ccc(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)cc1 225694268 XTSDIAKWRLNHDE-INIZCTEOSA-N 369.534 4.733 10 40 FJCB CC(C)CN1C(=O)/C(=C/c2cc(Cl)c(O)c(Cl)c2)SC1=S 409037844 NYGYMTMSUBMUOJ-WZUFQYTHSA-N 362.303 4.556 10 40 FJCB Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)O)c1 3610915 XMDHKGQVRBXHFE-UHFFFAOYSA-N 356.219 4.913 10 40 FJCB Cc1ccc2[nH]c(=O)cc(CSc3ncc(-c4ccccc4)n3C)c2c1 12462596 SWVUHHODQJZXJH-UHFFFAOYSA-N 361.470 4.529 10 40 FJCB biogenic,in-vitro COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(C)cc2)cc1 408766498 UWNSHKVDSYSFTC-CJLVFECKSA-N 368.436 4.838 10 40 FJCB Cc1c(Cl)cccc1NC(=O)CSc1ncc(-c2ccccc2)n1C 886487 OZGAVQNWNQYXIZ-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)cc1C 5797473 DGDMGXBSDYSANJ-SFQUDFHCSA-N 367.474 4.579 10 40 FJCB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(N(C)C)cc2)N3)C1 6713280 XVZPSSYIOJQNJW-KZULUSFZSA-N 355.507 4.758 10 40 FJCB Cc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2c(C)cccc2C)c1C 6780918 BAFRFKPSJOIILO-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB Oc1ccc2oc3c(c2c1CN1CCC[C@H](C(F)(F)F)C1)CCCC3 84445781 PDJZCQXDMZWMHD-LBPRGKRZSA-N 353.384 4.792 10 40 FJCB CCOC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)ccc2c1N 5610233 IYQWLRMSFWUOBW-UHFFFAOYSA-N 356.491 4.523 10 40 FJCB CCN(CC)Cc1cc2c(cc1O)CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 6382504 SYEMTPLYSXPSEN-XNSSQMBPSA-N 355.522 4.659 10 40 FJCB O=C1/C(=C/c2ccccc2Cl)SC(=S)N1CCc1ccccc1 6889743 JMMSTFOCEULORF-VBKFSLOCSA-N 359.903 4.784 10 40 FJCB c1csc([C@H](CNCc2ccc(N3CCCCC3)cc2)N2CCCC2)c1 22924721 AIHRIZFNGYXGDS-NRFANRHFSA-N 369.578 4.665 10 40 FJCB CCCC(=O)N[C@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 801101 YGWFEEPDVXIOHB-INIZCTEOSA-N 360.866 4.661 10 40 FJCB COc1ccc2ccc(OC)c(/C=C3\C(=O)N(c4ccccc4)N=C3C)c2c1 8664833 PBGBCVDQGRYXJX-RGEXLXHISA-N 372.424 4.663 10 40 FJCB CCCC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCC1 103917754 DOYXGGCLZKYAMU-AQTBWJFISA-N 368.506 4.605 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)CSc3ccccc3)cc2)CC1 217972289 MWNBJZDSEAVBIW-GOSISDBHSA-N 368.546 4.892 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccc(Cl)c3)cc2)C1 224729730 UHQQSHZLSXMGOJ-IAGOWNOFSA-N 370.924 4.996 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@H]21 409167954 KLWZCLWOLVQUNZ-WVQJBOLRSA-N 369.804 4.563 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)cc1 409341964 DAXMPESYZWOPPE-MHWRWJLKSA-N 373.524 4.823 10 40 FJCB COc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1Cl 1096290 QOVAXYHZTRRDCW-UHFFFAOYSA-N 361.850 4.885 10 40 FJCB Cc1ccccc1NC(=O)C(=O)c1cc(C)n(-c2ccc(Cl)cc2)c1C 6780970 NKFMENUIJOBAJY-UHFFFAOYSA-N 366.848 4.877 10 40 FJCB Cc1cc(Nc2c3ccccc3nc3ccccc23)cc(S(=O)(=O)O)c1 33698580 DEFIFEOBQRGNJH-UHFFFAOYSA-N 364.426 4.687 10 40 FJCB CC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)N=C3C)o2)cc1 208797993 OEBCNCOUZBHUGG-KGENOOAVSA-N 370.408 4.955 10 40 FJCB CCN(CCNC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(C)cc1 225793331 XKABHQLCYZMAPY-UHFFFAOYSA-N 365.905 4.600 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccccc3)N(c3ccc(C)cc3)C2=O)c1 408755004 PKXPEHDFMGRRIJ-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)C1=O 4675345 BRSJKPKHJIBGPZ-WOJGMQOQSA-N 354.475 4.767 10 40 FJCB C[C@H](NCc1ccc(N(C)CCO)cc1)c1ccc(-c2ccccc2)cc1 8721125 LYZPYIOYYOTLPF-IBGZPJMESA-N 360.501 4.633 10 40 FJCB CCOC(=O)C1=C(C)N(C2CCCCC2)C(=O)/C1=C\c1ccc(Cl)cc1 9846967 JCMSKRBHTHKCIC-AQTBWJFISA-N 373.880 4.735 10 40 FJCB Cc1c(C)c2ccc(O)c(CN3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2oc1=O 79191038 DOMFEXXCUQKJJT-NYHFZMIOSA-N 355.478 4.516 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(Cl)c3)c2C)cc1 6780974 NDCZDJWNLFBABK-UHFFFAOYSA-N 366.848 4.877 10 40 FJCB CN(C)c1ccc(/C=C/C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cc1 32904468 TVYNCMVBOMCQKJ-FMIVXFBMSA-N 371.484 4.563 10 40 FJCB COc1cccc(NC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225763193 AYWOJZXBEBFYRT-KRWDZBQOSA-N 367.493 4.814 10 40 FJCB O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409175814 VFEFVOILOYCASW-CPUCHLNUSA-N 371.780 4.983 10 40 FJCB CCN(CC)c1ccc(CN(C)Cc2ccc(Br)cc2)cc1 1700099 KKWVWDOPQUNOJR-UHFFFAOYSA-N 361.327 4.927 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)SC2=S)c(C)c1 12447053 WPCATQPDSGESCP-LDADJPATSA-N 368.527 4.775 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)SC2=S)c(C)c1 1086555 WPCATQPDSGESCP-PDGQHHTCSA-N 368.527 4.775 10 40 FJCB CC1(C)CC(=O)[C@H]2[C@@H](C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 5011703 ZHDWDPIPLUXLRX-AHRSYUTCSA-N 365.433 4.547 10 40 FJCB O=C1N=C(Nc2cccc(Cl)c2)S/C1=C\c1c[nH]c2ccccc12 100872604 QEOGBELTJNDPCD-PXNMLYILSA-N 353.834 4.904 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=S)NC3=O)cc2[C@H](C)CC1(C)C 208318697 BERMPDQZXWWVLE-GFQQVXNGSA-N 360.548 4.596 10 40 FJCB O=[N+]([O-])c1cc([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@@H]32)ccc1Cl 226691797 RVJDIPOXYUUUKW-PEBVRCNWSA-N 371.780 4.983 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 248335845 NWCJXGSSCLGLDC-UWVAXJGDSA-N 364.401 4.516 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(-c2ccccc2)c1C 4063924 PMOODTGMDSKDFU-JCMHNJIXSA-N 355.441 4.900 10 40 FJCB aggregator Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CC=C[C@@H]21 20756331 VQDHHVBSHKCWAL-JTDSTZFVSA-N 351.362 4.638 10 40 FJCB C[C@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 225694004 RBVXELFLXJNXLN-AWEZNQCLSA-N 359.926 4.988 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 409170491 VYUFFIRRACOMFD-QINHECLXSA-N 364.401 4.516 10 40 FJCB O=C(O)c1ccccc1N[C@@H](c1ccccc1)c1ccc2cccnc2c1O 1587767 NISNWVZYKYOKOX-FQEVSTJZSA-N 370.408 4.840 10 40 FJCB in-vitro CC[C@H](C)Oc1c(/C=C2\C(=O)N(c3ccccc3)N=C2C)cccc1OC 4525903 BZPIIMAQZFEFFD-NOMGLIDZSA-N 364.445 4.679 10 40 FJCB O=C1Nc2ccccc2/C1=C\c1cccn1-c1ccc(OC(F)(F)F)cc1 5673009 DSKGLNGWHMOQJN-SFQUDFHCSA-N 370.330 4.869 10 40 FJCB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)[C@H]1C=C[C@H]2CC1 100559721 QOGGNGICQYXDPW-YQOYNTOISA-N 357.413 4.804 10 40 FJCB O=C1/C(=C/C2=Cc3ccccc3OC2)SC(=S)N1c1cccc(F)c1 54360781 CDRQQQFFCDQVCE-MFOYZWKCSA-N 369.442 4.550 10 40 FJCB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)C1c1ccccn1 101462973 ZNVAAJBVIVPFRE-UHFFFAOYSA-N 361.011 4.858 10 40 FJCB CCOC(=O)c1cccc2c1N[C@@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 408736468 UZDOFWKKHLTDMP-GJYPPUQNSA-N 364.401 4.598 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc(N(C)C)cc2)SC1=S 35040877 CFFYPIHHNRQQIV-QGOAFFKASA-N 368.527 4.721 10 40 FJCB CSc1ccc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1 5171744 SLVNKOTZVDMZJJ-WJDWOHSUSA-N 357.525 4.810 10 40 FJCB O=C1N=C(N2CCCCCC2)S/C1=C\c1ccc(Cl)c(Cl)c1 9188854 OBIZYWQIRQAXRK-UVTDQMKNSA-N 355.290 4.840 10 40 FJCB O=C1CSC([C@@H](/N=N\c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 104298977 HMYOJHODMMXPRD-QTUOYIBBSA-N 369.837 4.713 10 40 FJCB O=C1/C(=C\c2ccco2)N=C(c2ccccc2Cl)N1c1ccc(F)cc1 408753595 JQDHRBWGCGZPLB-LDADJPATSA-N 366.779 4.907 10 40 FJCB Cc1cc(/C=C2\SC(=O)NC2=O)c(C)n1-c1cc(Cl)ccc1Cl 408806804 BJEPVGZZAJHJAS-NSIKDUERSA-N 367.257 4.725 10 40 FJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 409158840 LWHGNEJRXGHHKE-PSVSLLHZSA-N 371.780 4.983 10 40 FJCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccccc1Cl 2365602 JMUOSICKHRQEQP-ZROIWOOFSA-N 371.874 4.622 10 40 FJCB CC[C@@H](C)c1ccc(N2C(=O)N=C(O)/C(=C/c3ccc(C)o3)C2=O)cc1 8856336 LRXFIZNUIIBIHG-ZSAINHDTSA-N 352.390 4.608 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1 12628629 PYUAYCFNJSPPJH-QINHECLXSA-N 350.418 4.992 10 40 FJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 409158837 LWHGNEJRXGHHKE-CZIZLABSSA-N 371.780 4.983 10 40 FJCB COc1ccc(/C=C2\SC(=S)N(c3ccccc3Cl)C2=O)cc1 13765631 QRWOUTITUWFLQK-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB CCN(CC)c1ccc(CNC(=O)COc2ccccc2C(C)(C)C)cc1 222909090 YHHWYMAJPYLTDQ-UHFFFAOYSA-N 368.521 4.526 10 40 FJCB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)N2c2ccccc2)cc1 408840241 CTLQKOGXPQRZAU-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 1416433 NORKXXADIIRJQM-WJDWOHSUSA-N 374.918 4.812 10 40 FJCB CCc1nn2c3ccccc3n(C)c2c1/N=N/c1nc2ccccc2n1C 4725917 QOCVHKTTYFPMKO-GHVJWSGMSA-N 357.421 4.691 10 40 FJCB COc1ccc2cc(C3=C/C(=C/c4cccc([N+](=O)[O-])c4)C(=O)O3)ccc2c1 408723021 PPGTVQOBWDSPRA-NVMNQCDNSA-N 373.364 4.738 10 40 FJCB Cc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)N2c2ccc(O)cc2)cc1 408760045 QNEAVKIZPXREOY-KGENOOAVSA-N 372.399 4.674 10 40 FJCB COc1cccc(/C=C2/SC(=S)N(c3cc(C)ccc3C)C2=O)c1 35038935 MIGBDSZETIRHNZ-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB CC[C@H](C)N1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cn3)c2C)C1=O 97071373 OLKQEOPFSBLVHQ-VZWMTCDZSA-N 369.490 4.632 10 40 FJCB CCOc1ccccc1NC(=S)NCCCN(CC)c1ccc(C)cc1 225733095 VLWLBMSTVRKAEX-UHFFFAOYSA-N 371.550 4.597 10 40 FJCB CCCCCN1C(=O)S/C(=C\c2ccc(N3CCCC3)cc2C)C1=O 409212888 RXPAQMCJYPQOTB-JXAWBTAJSA-N 358.507 4.822 10 40 FJCB CN(C)c1ccc(/C=C2/C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 4015803 WPTKZYWBXZTWHJ-OQKWZONESA-N 367.452 4.587 10 40 FJCB Cc1cccc(C)c1-n1c(C)cc(C(=O)C(=O)Nc2ccc(F)cc2)c1C 6780955 ZCBQIUCLVJUTBR-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 219276340 ITETUKQASCVUAY-HXUWFJFHSA-N 364.533 4.960 10 40 FJCB COc1cc(/C=C2\C=C(c3ccc(C)cc3)OC2=O)ccc1OC(C)C 408743413 TUKYVNBOATYOLU-WOJGMQOQSA-N 350.414 4.772 10 40 FJCB CSc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)c1 409339041 REQUEAKALHDUDB-OQLLNIDSSA-N 361.488 4.953 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3cccc(O)c3)SC2=S)cc1Cl 2247762 SPLZREBVZBDLHE-NVNXTCNLSA-N 361.875 4.760 10 40 FJCB CC(C)N1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S 6376251 XEGSDRCBTCYKCU-PDGQHHTCSA-N 369.511 4.875 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccccc2F)c(C)n1-c1ccccc1Cl 6780988 KXLDEVIFYRJBFZ-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3F)SC2=S)c(C)c1 408719034 GOPVMFRBGRWHSW-LICLKQGHSA-N 372.490 4.713 10 40 FJCB CC(C)C(OC(=O)c1ccc(NCc2cc(O)ccc2O)cc1)C(C)C 1857547 KUABINSNUDJEPW-UHFFFAOYSA-N 357.450 4.547 10 40 FJCB O=C1CC[C@@H](C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=O 4783250 IJOFVFFEGSVZNK-JOCHJYFZSA-N 354.449 4.959 10 40 FJCB Cc1oc2ccc(O)c(CN3CCCC[C@@H]3C)c2c1C(=O)OCC(C)C 5182522 KARCTBDZJCECSU-AWEZNQCLSA-N 359.466 4.634 10 40 FJCB O=C(CSc1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 13670144 SWYNOYDCVQREBG-UHFFFAOYSA-N 374.937 4.739 10 40 FJCB CCOc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)c(O)c1 3291242 URIHHCPNWPTGMF-JOCHJYFZSA-N 357.413 4.780 10 40 FJCB O=C1N=C(Nc2cc(Cl)ccc2O)S/C1=C\c1c[nH]c2ccccc12 5374489 UQUWQXJQAIIXJT-APSNUPSMSA-N 369.833 4.609 10 40 FJCB O=C(O)c1cccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21 13633884 VXYQVSHWFNVJAE-CKEIUWERSA-N 370.246 4.974 10 40 FJCB CS[C@H](C)C(=O)N[C@H](c1ccccc1)c1c(O)ccc2ccccc12 48342544 OYOGEYYBSLATSR-JLTOFOAXSA-N 351.471 4.503 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3ccccc3)C2=O)cc1Cl 408901036 BRQCMBZSWDXRJA-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB CCN(CC)C(=S)SCC(=O)c1cc(C)n(-c2ccc(C)cc2)c1C 1771871 NABMWXCGHAQWOO-UHFFFAOYSA-N 374.575 4.945 10 40 FJCB Cc1cc(C)cc(NC2=NC(=O)/C(=C\c3ccc(N4CCCC4)o3)S2)c1 5797079 YOZNPNNOBIHSAU-SFQUDFHCSA-N 367.474 4.579 10 40 FJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Cl)c1OC 5872119 QLCCUGWIVCJACS-YBEGLDIGSA-N 370.836 4.553 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 6714453 QVAKCQCZQVIVJD-MDZRGWNJSA-N 365.389 4.946 10 40 FJCB Cc1ccc(/C=C2/SC(Nc3ccccc3Br)=NC2=O)cc1 8411311 QPAOOTPSWRROAY-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 13774849 RZYOMBYXRQPUFJ-YBEGLDIGSA-N 374.918 4.812 10 40 FJCB Cc1ccc(CCC(=O)NCc2ccc(N3CCCCC3)cc2)cc1C 223893972 LLRIIAFIJASOJU-UHFFFAOYSA-N 350.506 4.543 10 40 FJCB COc1ccc(-n2cnc3cc(NCc4ccccc4OC)ccc32)cc1 860978 CWVNGHGRVCDVIO-UHFFFAOYSA-N 359.429 4.655 10 40 FJCB O=C1c2ccccc2C(=O)c2sc(Nc3ccccc3C(F)(F)F)nc21 1636430 IHXQSBOKTPTGLJ-UHFFFAOYSA-N 374.343 4.681 10 40 FJCB Cc1cc(O)c(CN2CCC(c3nc4ccccc4s3)CC2)cc1C 12815722 OYKJPKHOAZZZNA-UHFFFAOYSA-N 352.503 4.998 10 40 FJCB C/C(=C\C(=O)N(C)Cc1ccc(N2CCCCC2)cc1)c1ccc(F)cc1 98055465 FLCKVVDNLGOAPZ-FBMGVBCBSA-N 366.480 4.878 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CCSc2ccc(C)cc2)cc1 223647636 SMFHFBWDBGMNFK-UHFFFAOYSA-N 356.535 4.640 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)cc3C)c2C)C1=O 409066081 JXKONSVUTGBURM-WOJGMQOQSA-N 354.475 4.767 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@H]21 409160249 WKVRVLSRPMWXTK-XWCIJXRUSA-N 370.792 4.773 10 40 FJCB Cc1cc(C)c(NC(=O)CSc2ncc(-c3ccccc3)n2C)c(C)c1 7128887 SOCLKLNKHDHRNE-UHFFFAOYSA-N 365.502 4.743 10 40 FJCB CCN1C(=O)/C(=C\c2ccccc2OCc2ccccc2F)SC1=S 59418110 ROGVCQZSBKEPBY-GZTJUZNOSA-N 373.474 4.626 10 40 FJCB Cc1c(/N=N/c2c(O)ccc3ccccc23)c(=O)n(-c2ccccc2)n1C 4452471 XKEVVXGEHUFUHL-GHVJWSGMSA-N 358.401 4.759 10 40 FJCB O=C(NCc1ccc(N2CCCCC2)cc1)C1(c2ccccc2)CCCC1 224406565 RLDDRDCIDAHADV-UHFFFAOYSA-N 362.517 4.805 10 40 FJCB Cc1ccc(C)n1N1C(=O)/C(=C\c2cccc3ccccc23)SC1=S 409193968 JERVMRHWPUIKGY-LDADJPATSA-N 364.495 4.796 10 40 FJCB CN1/C(=C2/SC(=S)N(c3ccccc3)C2=O)C(C)(C)c2ccccc21 3093002 MGKLTCGSAIKGST-WUKNDPDISA-N 366.511 4.691 10 40 FJCB CN(C)c1ccc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)cc1 6822303 REBCRDFYSNCXSL-FMIVXFBMSA-N 366.486 4.649 10 40 FJCB O=C1/C(=C/c2ccnc3ccccc23)SC(=S)N1Cc1ccccc1 8992347 SKJZRDFLNKGJSV-PDGQHHTCSA-N 362.479 4.636 10 40 FJCB CN(C)c1ccc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc1 28288135 QERGRJCUGAODGU-UHFFFAOYSA-N 365.864 4.648 10 40 FJCB CC1=NN(c2ccc(Cl)cc2)C(=O)/C1=C\c1cc(C)n(C2CC2)c1C 32694292 IMAMCVKYPSTKPU-ODLFYWEKSA-N 353.853 4.899 10 40 FJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc(Br)c1)N2 3999513 XPWBIFYCUFEFIV-MPGHIAIKSA-N 370.246 4.974 10 40 FJCB O=C1[C@@H](Cc2ccc(F)cc2)SC(=S)N1CCC1CCCCC1 409141290 MXMXVMKECCEVRT-MRXNPFEDSA-N 351.512 4.568 10 40 FJCB CCc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 224093381 YHUOQJGOEFFCEC-LJQANCHMSA-N 364.533 4.905 10 40 FJCB CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3C)C1=O 208221186 QPSIEWLOOZOOMF-GPLLRDDGSA-N 358.507 4.855 10 40 FJCB CN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(C2SCCS2)cc1 12533732 RNCHYGMEKLJCPP-UHFFFAOYSA-N 372.559 4.503 10 40 FJCB COc1ccccc1/N=N\C(C(=O)c1ccccc1)C(=O)c1ccccc1 104290106 LLSICZJZRXBVNC-VHXPQNKSSA-N 358.397 4.913 10 40 FJCB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225657298 BASWQWGADDMXMB-KRWDZBQOSA-N 368.550 4.674 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 408759855 MXPNIJRQVUDFSR-RCCKNPSSSA-N 372.399 4.669 10 40 FJCB Cc1ccc(-c2cc3c(n2-c2ccc4c(c2)OCO4)C[C@@H](C)CC3=O)cc1 2512790 KGZPNCKZJBHONA-OAHLLOKOSA-N 359.425 4.946 10 40 FJCB Cc1ccc(Nc2cc(N3CC3)c3noc4c3c2C(=O)c2ccccc2-4)cc1 66088752 OLKDDGUFAQXODD-UHFFFAOYSA-N 367.408 4.911 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1F 225393999 KCDLKRWLYLQZJT-HZPDHXFCSA-N 370.468 4.562 10 40 FJCB CCN(CC)c1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cc1 225536630 YYVFKMCUPXAGRG-UHFFFAOYSA-N 368.521 4.526 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N(c2ccc(Cl)cc2)C1=O 13713604 GGTNABNXVVEGMI-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB O=C1/C(=C\Nc2ccccc2Cl)C(C(F)(F)F)=NN1c1ccccc1 100329294 ONZFZMFZKZUYON-BENRWUELSA-N 365.742 4.601 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(Cl)cc3)C2=O)cc1 13534948 NSSYPDFXCUEPMJ-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB CCOc1c(/N=N\c2ccccc2C)c(-c2ccccc2)nn1C(N)=S 104230994 DKERSKIRSIGFJF-DQRAZIAOSA-N 365.462 4.764 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=O)[C@H](C)Oc3ccccc3)cc2)CC1 219488915 ANBSHPYKNRGUMA-MOPGFXCFSA-N 366.505 4.568 10 40 FJCB CCCN1C(=O)/C(=C\C=C2/Sc3ccccc3N2CC)SC1=S 4859538 VPUDRZQAVOXYAL-BMJMZVRVSA-N 362.545 4.614 10 40 FJCB CCN(Cc1cnc(C)nc1)c1ccc(OCc2cccc(F)c2)cc1 19526657 NSNNPXCYTZDPSG-UHFFFAOYSA-N 351.425 4.530 10 40 FJCB COc1ccc(/N=N/C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 102915825 WVAAOZMKRUBFAQ-WCWDXBQESA-N 358.397 4.913 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 225501543 BHNMTFGEUCDCOJ-UYAOXDASSA-N 364.533 4.960 10 40 FJCB Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)n1 225657443 HDKKXLBZAONTRS-QGZVFWFLSA-N 368.550 4.674 10 40 FJCB CC1CCN(c2ccc([C@@H](C)NC(=S)Nc3ccccc3)cc2)CC1 217936416 UBOXLJNXOPNBTN-QGZVFWFLSA-N 353.535 4.971 10 40 FJCB CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@H]3C)C1=O 260562493 AKZJPEQLIYJULL-OMJMQIJPSA-N 358.507 4.773 10 40 FJCB CN1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S 1219174 DFKHRMNNILDGRM-WQRHYEAKSA-N 364.495 4.521 10 40 FJCB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 58850469 FFAARRCIJTXGAP-UHFFFAOYSA-N 374.893 4.857 10 40 FJCB C/C(NCc1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 112117827 GAUKZVYHTOBQDR-PYCFMQQDSA-N 367.452 4.501 10 40 FJCB O=C1/C(=C/c2ccncc2)SC(=S)N1c1cccc(C(F)(F)F)c1 13598008 HWNPLTRMJFWBFM-JYRVWZFOSA-N 366.389 4.506 10 40 FJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)NC1CCCCCC1 103916254 DIKUSURJRSWQOV-AQTBWJFISA-N 368.506 4.605 10 40 FJCB Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)n1 260742191 TYIYHQYSNDOUEL-DOTOQJQBSA-N 368.550 4.674 10 40 FJCB Cc1ccc(/N=N/c2ccc(O)c(/C=C3\SC(=S)NC3=O)c2)cc1C 408724516 FFTJYQNVTGFQHO-UKAHEONWSA-N 369.471 4.913 10 40 FJCB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1c(Cl)cccc1Cl 16937640 NHKQMJHXUMIEMP-ZSOIEALJSA-N 365.241 4.781 10 40 FJCB Cc1ccc(/C=C2/N=C(c3ccc(F)cc3)N(c3ccccc3)C2=O)cc1 408843858 SPPYQXMQWWBAOX-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB O=C(O)c1cccc2c1N[C@@H](c1ccccc1Br)[C@H]1CC=C[C@H]21 3999516 GHNIMUHUJRZICV-NVGCLXPQSA-N 370.246 4.974 10 40 FJCB O=C1/C(=C\c2ccc3ncccc3c2)SC(=S)N1Cc1ccccc1 9419156 MSEYINHJTBFVQM-LDADJPATSA-N 362.479 4.636 10 40 FJCB COc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1F 225393629 DDFMMOWVWJQTCG-MRXNPFEDSA-N 370.468 4.562 10 40 FJCB O=C1/C(=C\c2cccs2)N=C(c2ccccc2F)N1c1ccc(F)cc1 408752536 BLHZISFVUXQFSG-LDADJPATSA-N 366.392 4.861 10 40 FJCB COc1ccc(N2C(=O)/C(=C\c3c[nH]c4ccccc34)SC2=S)cc1 19797895 GOCZXAJNMYUCPE-LICLKQGHSA-N 366.467 4.582 10 40 FJCB O=C(O)CCc1ccc(-c2ccccc2)n1CCOc1ccc(Cl)cc1 409377765 KNIKDDPLOLFUCI-UHFFFAOYSA-N 369.848 4.905 10 40 FJCB CCOc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)N=C2C)cc(Cl)c1O 997775 CERNUMHAYAPUEV-CXUHLZMHSA-N 370.836 4.559 10 40 FJCB COC(=O)C1=C(C)N(C2CCCC2)C(=O)/C1=C\c1ccc(C(C)(C)C)cc1 6202295 FYWDDODEOBRFTL-RGEXLXHISA-N 367.489 4.599 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(Nc3ccc(C)cc3)=NC2=O)cc1 107583967 KLQZQFXXJAYYLK-RGEXLXHISA-N 365.502 4.924 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(OC)c1)N2 409171353 ZPGWJARJBQUHDE-CLCXKQKWSA-N 369.848 4.962 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1 5371154 IFINFDOFMLWCCC-BOPFTXTBSA-N 353.468 4.603 10 40 FJCB CCCN(CCC)Cc1c(O)ccc2c(=O)c(-c3ccccc3)coc12 19793060 RTFUNLUGWROHCI-UHFFFAOYSA-N 351.446 4.788 10 40 FJCB biogenic Cc1ccc(/N=N\c2c(=N)[nH]n3cc4c(nc23)-c2ccccc2CC4)cc1 104229656 RFRQPMHNDSSXIU-IZHYLOQSSA-N 354.417 4.631 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cccn1-c1ccc(C)c(C)c1 408963959 DXBTXVNDQGNETH-JCMHNJIXSA-N 355.441 4.900 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C\c3cn(C)c4ccccc34)S2)cc1C 5784314 JZEFBZMLAJEBMC-YBFXNURJSA-N 361.470 4.878 10 40 FJCB O=C1c2ccccc2N[C@@H](c2ccc(N3CCCCCC3)cc2)N1C1CC1 8190028 WMAUIZYZCMFJDU-JOCHJYFZSA-N 361.489 4.796 10 40 FJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1c1ccc([N+](=O)[O-])cc1 4491797 LDDWBBXFUVBNRI-QSJINSDNSA-N 368.439 4.557 10 40 FJCB Cn1c(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)cc2ccccc21 5374377 USDOOVUZHAANIK-GZTJUZNOSA-N 367.861 4.914 10 40 FJCB CN(C)c1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 9188759 RLQULDNKMJXBGH-WJDWOHSUSA-N 374.918 4.812 10 40 FJCB Cc1ccc2cc3c(ccc(/C=C/c4ccc(N(C)C)cc4)[n+]3C)cc2n1 5337733 RMAVAQVXXKVLKP-UHFFFAOYSA-N 354.477 4.757 10 40 FJCB Cc1cc(C(=O)[C@@H](C)OC(=O)C2CCC2)c(C)n1-c1ccc(Cl)cc1 5399268 FQBLOPZGUUQQGX-CQSZACIVSA-N 359.853 4.662 10 40 FJCB Oc1c([C@H](c2ccccn2)N2CCCCC2)cc(Cl)c2cccnc12 21673413 UUKXQRCKOJRJOL-LJQANCHMSA-N 353.853 4.564 10 40 FJCB Cc1ccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)nc1 45944407 UKEVIZGSJSQUGB-FQEVSTJZSA-N 356.429 4.549 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=S)Nc3ccccc3)cc2)C1 217936596 XTTXKZDLQBBJSH-IAGOWNOFSA-N 353.535 4.971 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Br)cccc2[C@@H]2C=CC[C@H]21 409151694 HTBBRTZJVUAYCG-PSTGCABASA-N 370.246 4.974 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)c1 5372182 NWVHYAZKMQMWTB-BIMFAPAISA-N 365.479 4.851 10 40 FJCB CCCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OC 7165606 MRBSSTIYVBSPPO-AQTBWJFISA-N 368.458 4.566 10 40 FJCB CC(C)(C)Oc1cc(CNCc2ccc(N3CCCCC3)cc2)ccn1 95455357 KICSGQHQTPBZSD-UHFFFAOYSA-N 353.510 4.539 10 40 FJCB CCN1C(=O)/C(=C\C=C2/Sc3cc(C)ccc3N2CC)SC1=S 4497935 RMHYTNZCPOWWGK-FPLYRLCPSA-N 362.545 4.533 10 40 FJCB O=C1N=C(Nc2ccccc2C(F)(F)F)S/C1=C/c1cccs1 5856471 DDBGPEKNUQWLTI-XYOKQWHBSA-N 354.378 4.849 10 40 FJCB CC[C@H]1CCCCN1Cc1c(O)cc(C)c2c1oc(=O)c1ccccc12 629660 UKJAVIXLTRJIIJ-HNNXBMFYSA-N 351.446 4.725 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc(C)cc2)C1=O 653889 CYEOJORTYFMMEK-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB CCOc1cc2c(c([N+](=O)[O-])c1)N[C@@H](c1ccccc1F)[C@@H]1CC=C[C@H]21 4182489 GFCBETYWCBBXBH-IQUTYRLHSA-N 354.381 4.959 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2nc3ccccc3[nH]2)SC1=S 5235959 NJPFXEWQFNNACV-WJDWOHSUSA-N 365.483 4.531 10 40 FJCB Cc1ccc(/C=C2\SC(N3CCC(Cc4ccccc4)CC3)=NC2=O)o1 13784911 GWDUUVOPQXWTGK-RGEXLXHISA-N 366.486 4.513 10 40 FJCB CCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1 75260391 RNBLWOOGUHLSQJ-XLNRJJMWSA-N 368.436 4.920 10 40 FJCB CC1=NN(c2nc3ccccc3s2)C(=O)/C1=C(/C)Nc1ccc(C)cc1 100423055 VNHSTZFKIDIXIY-AQTBWJFISA-N 362.458 4.713 10 40 FJCB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCc1ccc(N(CC)CC)cc1 222724849 QEVPIXSVAAGTQX-JOCHJYFZSA-N 368.521 4.623 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(OC)c1)N2 409171356 ZPGWJARJBQUHDE-ZRGWGRIASA-N 369.848 4.962 10 40 FJCB Cc1cccc(C)c1N1C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)SC1=S 4690773 ZPYLOPZIYXTESA-GDNBJRDFSA-N 370.455 4.617 10 40 FJCB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(C)C[C@@H]2c1ccccc1O 17074425 WDSIZFNTUDRHFM-LJQANCHMSA-N 361.445 4.912 10 40 FJCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409157443 JFPQMRIDGYFWAH-BWACUDIHSA-N 371.780 4.983 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C/c3sccc3C)SC2=S)cc1 1412499 XCQTZQPQVJGMFA-GDNBJRDFSA-N 361.513 4.861 10 40 FJCB COc1ccc(N2COc3c(cc4c(oc(=O)c5ccccc54)c3C)C2)cc1 2123062 XLCFSVYOZVGHME-UHFFFAOYSA-N 373.408 4.620 10 40 FJCB biogenic CN(C)c1ccc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409068264 KYXHBMVTFLAWDN-WJDWOHSUSA-N 358.850 4.647 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(OC)ccc(Cl)c3[C@@H]3C=CC[C@@H]32)cc1 4172105 LSEUQOBRAOITCE-VCBZYWHSSA-N 369.848 4.962 10 40 FJCB O=C1OC(c2ccccc2)=C/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 13546873 SMZUTULIDFQMRT-FOWTUZBSSA-N 359.337 4.836 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CCc2ccc(C(C)C)cc2)cc1 223182935 YCKLJEURMYCCLC-UHFFFAOYSA-N 352.522 4.905 10 40 FJCB COc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCCCC3)cc2)c1 225663217 PAUUTAUZRJBCQV-MRXNPFEDSA-N 369.534 4.733 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccc(C(C)C)cc3)OC2=O)cc1OC 4713886 JUSNIOHFHOCBNZ-WOJGMQOQSA-N 350.414 4.809 10 40 FJCB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(N(C)C)cc2)N3)C1 6713384 XVZPSSYIOJQNJW-KPZWWZAWSA-N 355.507 4.758 10 40 FJCB CC(C)CN1C(=O)/C(=C\c2ccc(-c3cccc(F)c3)o2)SC1=S 32593969 ICSLQUJSMQIBLT-CXUHLZMHSA-N 361.463 4.943 10 40 FJCB COc1ccc(O)c([C@H](C)Nc2nc(C(F)F)nc3ccc(F)cc23)c1 1185281316 FEIBRNMYTHOKPV-VIFPVBQESA-N 363.339 4.594 10 40 FJCB CC1=CC(=Cc2sc3ccccc3[n+]2C)C=C(C)N1Cc1ccncc1 3166746 HNFKZBDTWDTYDP-UHFFFAOYSA-N 360.506 4.828 10 40 FJCB CCC(CC)C1=NN2C(=N)/C(=C\c3ccc(C(C)C)cc3)C(=O)N=C2S1 5563103 BNESJBKWWKYRGM-SUIAZJLOSA-N 368.506 4.865 10 40 FJCB COCCn1c(-c2ccc(C)cc2)cnc1SCc1ccc(F)cc1 44085908 YUKIAZHAOZLBGR-UHFFFAOYSA-N 356.466 4.936 10 40 FJCB Cc1ccc([N+](=O)[O-])c2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@@H]1CC=C[C@H]21 4854890 KPXLFBDJKVKOJT-QMTMVMCOSA-N 351.362 4.638 10 40 FJCB CCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1OC 33316068 GUJYKISYYUOIPJ-BOPFTXTBSA-N 370.836 4.553 10 40 FJCB COc1ccc(CN(C)C(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1F 36634388 GCYSWJBQMCIPAL-UHFFFAOYSA-N 366.436 4.514 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@H]2C=CC[C@@H]21 409160701 YXWABZURTSKWJE-PSVSLLHZSA-N 370.792 4.773 10 40 FJCB CCc1cccc(C)c1-n1c(C)cc(/C=C2/SC(=O)N(C)C2=O)c1C 59104509 OSIMTQQTRNTZAT-GZTJUZNOSA-N 354.475 4.631 10 40 FJCB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(/N=N/c3ccccc3)cc1)[C@H]1C=C[C@H]2C12CC2 409171945 FGHKDGGZSUBBCZ-MBLZJCRLSA-N 369.424 4.804 10 40 FJCB CCCCC(=O)N[C@@H](c1ccco1)c1cc(Cl)c2cccnc2c1O 2488161 SVSGMAXSFDIDCX-QGZVFWFLSA-N 358.825 4.583 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959423 JYGSSKLRBHATMN-FHSNZYRGSA-N 370.792 4.773 10 40 FJCB CCc1ccc(N2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)cc1 5371321 VKPUOIGLBSHWEN-ATVHPVEESA-N 355.484 4.663 10 40 FJCB O=S(=O)(O)c1ccc2c(/N=N\c3ccc(Cl)cc3)c(O)ccc2c1 16990016 YHPJLZIPELSPBU-HNENSFHCSA-N 362.794 4.861 10 40 FJCB CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(F)cc1 408944187 IRTUKQUNGHNVJK-UHFFFAOYSA-N 353.393 4.699 10 40 FJCB COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(Cl)c(F)c3)C2=O)cc1 112119054 WPQNINZLVYXDLK-WQRHYEAKSA-N 373.815 4.596 10 40 FJCB Cc1ccc(/C=C2/N=C(c3cccc(C)c3)N(c3ccc(O)cc3)C2=O)cc1 408843281 RJBORIYRLUKWJB-PXLXIMEGSA-N 368.436 4.844 10 40 FJCB CCCCC(=O)N[C@H](c1ccccc1Cl)c1ccc2cccnc2c1O 3894243 YJVWZPHTRDHQJX-HXUWFJFHSA-N 368.864 4.990 10 40 FJCB biogenic COc1ncnc2c1N=C1CC(C)(C)CC(Nc3ccccc3)=C1S2 5032078 DRNMEVZHPQVPHJ-UHFFFAOYSA-N 352.463 4.807 10 40 FJCB CCOC(=O)c1ccoc1CNc1cc2oc3ccccc3c2cc1OC 14898095 KIGJHYKIJRDVSU-UHFFFAOYSA-N 365.385 4.976 10 40 FJCB CCCC(=O)N[C@H](c1ccccc1)c1cc(Cl)c2cccnc2c1O 801070 RSHNZQIRXYERPR-GOSISDBHSA-N 354.837 4.600 10 40 FJCB O=C1OC2(CCCCC2)OC(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1 857520 LALNZDLTTCYLEC-UHFFFAOYSA-N 372.804 4.744 10 40 FJCB CN(Cc1c(O)ccc2ccccc12)Cc1nc2ccccc2n1C(F)F 12519916 ZOKOWDPXNVTREX-UHFFFAOYSA-N 367.399 4.922 10 40 FJCB CSc1cccc(N2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 409345873 LQYKXSWMTDYTLW-OQLLNIDSSA-N 361.488 4.953 10 40 FJCB Cc1cccnc1NC(=S)N[C@@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225671464 MOZJIBAXFXDPDT-WBVHZDCISA-N 368.550 4.674 10 40 FJCB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1ccccc1 260786568 YHQRSOSEYLOZSV-MAODMQOUSA-N 374.513 4.770 10 40 FJCB O=C1/C(=C/c2ccc(N3CCCC3)cc2)SC(=S)N1C1CCCCC1 409326410 BLVBHQAQOQNGIY-JXAWBTAJSA-N 372.559 4.821 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccc(Cl)cc2)c(C)n1-c1ccccc1 6780887 XFTANBRPASPHCI-UHFFFAOYSA-N 352.821 4.569 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)SC1=S 1183595 RXNLINOXAWGYOO-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB O=C1Nc2ccccc2/C1=C/c1ccn(-c2ccc(Br)cc2)c1 4049801 ZQIXZHFHERZVTI-BOPFTXTBSA-N 365.230 4.733 10 40 FJCB Cc1ccccc1N/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 4108558 REIABDNLDJOZIK-RFRKOGIWSA-N 354.500 4.870 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 4749369 PFZPSJOIDBJXBL-KAECEXQPSA-N 355.484 4.658 10 40 FJCB O=C1/C(=C\c2cccnc2)SC(=S)N1c1ccc(Cl)cc1Cl 5590638 FPGSQNVUCIKVMM-AWNIVKPZSA-N 367.282 4.794 10 40 FJCB Cc1ccc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)c(C)c1 58850361 AVUYENZRCAELRZ-UHFFFAOYSA-N 354.475 4.512 10 40 FJCB CC(C)c1ccc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)cc1 71858372 OUEATDMZNMSZEM-UHFFFAOYSA-N 356.535 4.627 10 40 FJCB Cc1ccc(C(=O)N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 5543532 ORDNIFNXXWKQAS-GDNBJRDFSA-N 373.886 4.690 10 40 FJCB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1 224093330 YHUOQJGOEFFCEC-IBGZPJMESA-N 364.533 4.905 10 40 FJCB CCOc1cccc2c1N[C@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@H]21 4140461 MGMWGGWTLFZCCQ-AUSJPIAWSA-N 366.417 4.829 10 40 FJCB Cc1ccccc1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C 7423241 KZJDQWLYJBTIOI-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB Cc1oc2c(CN3CCCC[C@@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 20437983 SUNBMLHSCFCBOB-HNNXBMFYSA-N 363.457 4.848 10 40 FJCB biogenic COc1ccc(NC2=NC(=O)/C(=C\c3c(F)cccc3Cl)S2)cc1 33497974 KNRQTWSYUZLHMM-OQLLNIDSSA-N 362.813 4.570 10 40 FJCB CCOc1ccccc1-n1c(CCC(=O)O)ccc1-c1ccc(OC)cc1 33719815 GBZWOMQQZJEDES-UHFFFAOYSA-N 365.429 4.569 10 40 FJCB Cc1cc(C)c(S(=O)(=O)Nc2nc(-c3ccccc3)cs2)c(C)c1 5260104 ZMGKIUVVLSOKQN-UHFFFAOYSA-N 358.488 4.536 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\NN(c1ccccc1)c1ccccc1 9171772 OHYAETSHXPNCET-XLNRJJMWSA-N 368.440 4.636 10 40 FJCB O=C1[C@H](/N=N\c2ccc(Br)cc2)Sc2nc3ccccc3n21 104087815 WEDUBELNWULICP-LTFJSZEESA-N 373.235 4.655 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(Br)cc1 112118555 KYVIDKKROOOZGC-ATVHPVEESA-N 370.250 4.558 10 40 FJCB O=C1/C(=C\c2ccccc2F)N=C(c2ccc(F)cc2)N1c1ccccc1 408765695 ZNFFMLFSVAWJKR-XSFVSMFZSA-N 360.363 4.799 10 40 FJCB COc1ccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1 1103241 KIAYKWAWZGWBJS-KAECEXQPSA-N 355.484 4.658 10 40 FJCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1C 7124898 QZBSAKWZEWZKTD-UHFFFAOYSA-N 351.475 4.609 10 40 FJCB O=C1NC(=S)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 12794357 WVMZZSRDJRQJDI-WDZFZDKYSA-N 356.255 4.742 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 409174831 PHLXDDUDPABGMT-SNUQEOBHSA-N 370.792 4.773 10 40 FJCB CN(Cc1cc(O)c(CN(C)C2CCCCC2)cc1O)C1CCCCC1 1680961 UYTNPQCBQWCURC-UHFFFAOYSA-N 360.542 4.627 10 40 FJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 14472772 ZYQLQESTJXCSGW-FHSNZYRGSA-N 371.780 4.983 10 40 FJCB COc1ccc(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1Cl 225729161 JHNFEEWJEQXUGA-OAHLLOKOSA-N 372.896 4.515 10 40 FJCB O=C1/C(=C\Nc2ccccc2Cl)SC(=S)N1c1ccc(F)cc1 4553403 UENHHJLZJMTMKA-NTEUORMPSA-N 364.854 4.797 10 40 FJCB CCOc1ccccc1NC(=S)N[C@H](C)c1ccc(N2CCCC2)cc1 225694233 YBNGWMDZWOSUEV-MRXNPFEDSA-N 369.534 4.733 10 40 FJCB O=[N+]([O-])c1ccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)cc1 3893390 QAFOHHPHHYVGNB-LJQANCHMSA-N 361.357 4.643 10 40 FJCB C/C(Nc1ccccc1)=C1/C(=O)N(c2ccccc2)N=C1c1ccccc1 16136439 OWAWTDITJOWSSR-FXBPSFAMSA-N 353.425 4.824 10 40 FJCB Cc1ccc(C)c(NCN2C(=O)/C(=C\c3cccc(F)c3)SC2=S)c1 408722018 ONIGJTPRMOFYSV-LICLKQGHSA-N 372.490 4.713 10 40 FJCB COc1ccc(CN(C)C(=O)c2cc(C)n(-c3ccccc3)c2C)cc1F 24581236 XMCLQSHMEBNFJG-UHFFFAOYSA-N 366.436 4.514 10 40 FJCB Oc1c([C@@H](Nc2ccccn2)c2ccncc2)cc(Cl)c2cccnc12 40384070 JQHLLBXEINTDJB-SFHVURJKSA-N 362.820 4.585 10 40 FJCB C[C@@H](NC(=S)Nc1ccccc1Cl)c1ccc(N2CCCC2)cc1 225693894 MCNVDLVQNFWWIR-CQSZACIVSA-N 359.926 4.988 10 40 FJCB Cc1cccc(C(=O)N2C(=O)/C(=C\C=C/c3ccccc3)SC2=S)c1 408719783 RYYYKOPACHSKQX-LROUVQFUSA-N 365.479 4.593 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1ccccc1C)oc1ccccc12 11619202 ZKJWOSFOTAUNDL-UHFFFAOYSA-N 360.413 4.954 10 40 FJCB COc1ccccc1/C=C1/N=C(c2ccccc2)N(c2ccc(F)cc2)C1=O 408763189 IBGXWVLINIUEBT-HMMYKYKNSA-N 372.399 4.669 10 40 FJCB [N-]=[N+]=N[C@]1(Cc2ccccc2)C(=O)c2ccccc2N(c2ccccc2)C1=O 100931167 PAXVTICAXGOZLN-JOCHJYFZSA-N 368.396 4.839 10 40 FJCB Cc1cc(C)cc(NC(=S)N[C@H](C)c2ccc(N3CCCC3)cc2)c1 225693745 GBFBVKDOOCQSFN-QGZVFWFLSA-N 353.535 4.951 10 40 FJCB O=C1N=C(Nc2cccc(C(F)(F)F)c2)S/C1=C/c1ccccc1F 8435726 KVVNTHFUSCJBDW-RIYZIHGNSA-N 366.339 4.927 10 40 FJCB CCc1ccc(/C=C2/SC(=S)N(c3ccc(C(C)=O)cc3)C2=O)cc1 35041387 JDVAKDMNVPPWNT-LDADJPATSA-N 367.495 4.857 10 40 FJCB COC(=O)c1ccccc1Nc1c(-c2ccc(C)o2)nc2ccc(C)cn12 35616072 ARJWWNQLUTZNSZ-UHFFFAOYSA-N 361.401 4.741 10 40 FJCB CCc1ccc(/C=C2/SC(=S)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 107625606 QJLZAWHDBCWDHD-LFIBNONCSA-N 370.455 4.563 10 40 FJCB CCN(CC)c1ccc(CNC(=O)[C@@H](C)Sc2ccc(C)cc2)cc1 224356920 FXZAYFMUIVGKMY-QGZVFWFLSA-N 356.535 4.638 10 40 FJCB COc1cccc(NC(=S)N[C@@H](C)c2ccc(N3CCCCC3)cc2)c1 225663193 PAUUTAUZRJBCQV-INIZCTEOSA-N 369.534 4.733 10 40 FJCB CCN1C(=O)/C(=C/c2cc(C)n(-c3cc(C)cc(C)c3)c2C)SC1=S 409379134 USAFPBGDKGYRLV-WQRHYEAKSA-N 370.543 4.932 10 40 FJCB CCC(=O)N[C@@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 869278 UBXNKZMEILMCBI-SFHVURJKSA-N 354.837 4.518 10 40 FJCB COc1ccc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 15011662 MNFKPPAWFTUHGJ-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB CCN1C(=O)S/C(=C\c2ccc3c(c2)C(C)=CC(C)(C)N3CC)C1=O 208511629 AYLAKRJCOZMHGT-BOPFTXTBSA-N 356.491 4.765 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3ccccc3[N+](=O)[O-])SC2=S)cc1 35040913 CWBILTVBECMBQG-LFIBNONCSA-N 370.455 4.563 10 40 FJCB O=[N+]([O-])c1cccc([C@@H]2Nc3c(cc(Cl)cc3[N+](=O)[O-])[C@H]3C=CC[C@@H]32)c1 38570276 IMLKJBYYGJBCSS-ZQIUZPCESA-N 371.780 4.983 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@H]2C=CC[C@@H]21 409167949 KLWZCLWOLVQUNZ-PSVSLLHZSA-N 369.804 4.563 10 40 FJCB CC(=O)C1=NN(c2ccccc2)/C(=C/c2ccc(Br)cc2)S1 3152517 UEAQWPXLEFQJNG-WJDWOHSUSA-N 373.275 4.903 10 40 FJCB O=C(O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1Cl)N2 4959425 JYGSSKLRBHATMN-SNUQEOBHSA-N 370.792 4.773 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)/C=C/c3ccc(F)cc3)cc2)CC1 217912741 IWRRGKULCTWBCJ-VRQAPCGNSA-N 366.480 4.953 10 40 FJCB COc1ccc(OC)c(CN(Cc2c(O)ccc3ccccc23)C2CC2)c1 26656012 MJVSCOCBVHBDPO-UHFFFAOYSA-N 363.457 4.727 10 40 FJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)c1 1013883 LNBHUOQAGBQVGJ-OQLLNIDSSA-N 361.875 4.754 10 40 FJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(C(F)(F)F)n2n1 1403925 IFOXNKOWLQWEQK-UHFFFAOYSA-N 362.380 4.884 10 40 FJCB Cc1ccnc(N[C@H](c2ccc(F)cc2)c2ccc3cccnc3c2O)c1 1463224 DNFFYAHWCDVOJP-HXUWFJFHSA-N 359.404 4.984 10 40 FJCB CC1=CC(=C2C(=O)N(c3ccccc3)N=C2C)C=C(C)N1Cc1ccco1 4930678 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Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3C)c2C)c(C)c1 6780916 TZHIDBZHBXCOCV-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc(Cl)c1 12413440 UOTCMOJOKCLOAW-AQTBWJFISA-N 367.832 4.607 10 40 FJCB CCN1C(=O)/C(=C\N(C2CCCCC2)C2CCCCC2)SC1=S 101762369 OYMMKEFXEQOMQM-DTQAZKPQSA-N 352.569 4.675 10 40 FJCB Oc1c([C@H](Nc2ccccn2)c2ccncc2)cc(Cl)c2cccnc12 40384073 JQHLLBXEINTDJB-GOSISDBHSA-N 362.820 4.585 10 40 FJCB O=C1/C(=C/c2ccccn2)SC(=S)N1c1ccc(Cl)c(Cl)c1 2260023 KJGQWDFRCYWGSY-QPEQYQDCSA-N 367.282 4.794 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1C(=O)O)N2 409164086 CHNYPWAEPXXDKP-LPMFXHHGSA-N 364.401 4.736 10 40 FJCB CCOc1cc(/C=C2/SC(Nc3cccc(Cl)c3)=NC2=O)ccc1O 1452297 YDXAXKBXKISMHW-CXUHLZMHSA-N 374.849 4.527 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C\c3ccccc3Br)S2)c1 13137564 MRBKYZDKXXECFV-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc(/N=N\c2ccccc2)cc1 108205492 WJKROIRBQRZHQI-XVJXAPNTSA-N 361.401 4.563 10 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TWZCWWSAHVQLBQ-NRFANRHFSA-N 356.425 4.692 10 40 FJCB CCOc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 4172145 MGMWGGWTLFZCCQ-SIFCLUCFSA-N 366.417 4.829 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 5739805 QVAKCQCZQVIVJD-GJYPPUQNSA-N 365.389 4.946 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2cccc(Cl)c2)c(C)n1-c1ccc(F)cc1 6780996 IKJJTICDEUKBPC-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB CN(Cc1ccccc1N1CCCCC1)Cc1c(O)ccc2ccncc12 12516516 GYNXLZRKXYLSHX-UHFFFAOYSA-N 361.489 4.563 10 40 FJCB Cc1ccc([C@H](c2ccccc2O)N2CCN(c3ccccc3)CC2)cc1 12537002 UTQLYEYNAJBMGN-XMMPIXPASA-N 358.485 4.612 10 40 FJCB COc1ccc([C@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@H]23)cc1 43769620 UDYHMAFBLLUKCT-QWQRMKEZSA-N 355.821 4.873 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c(C)c1 260760843 BHNMTFGEUCDCOJ-ICSRJNTNSA-N 364.533 4.960 10 40 FJCB COC(=O)C1=C(C)N(c2ccccc2Cl)C(=O)/C1=C\c1cccc(C)c1 408585748 HXLZUPYLPOIWEO-VBKFSLOCSA-N 367.832 4.526 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1 6963544 NWCJXGSSCLGLDC-ZWOKBUDYSA-N 364.401 4.516 10 40 FJCB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(N2CCCCC2)cc1 225719570 ZZACWPFUHURBGJ-KRWDZBQOSA-N 354.469 4.626 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1 5959349 UFXJYZMPXSUHER-LFIBNONCSA-N 359.447 4.630 10 40 FJCB C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccc(N2CCC[C@@H](C)C2)cc1 224087952 LUKFSTUPDXFRAP-MSOLQXFVSA-N 368.496 4.872 10 40 FJCB CCOC(=O)c1sc2nc3c(c(-c4ccc(C)cc4)c2c1N)CCCC3 2925002 WSACJNHBXJCYRC-UHFFFAOYSA-N 366.486 4.909 10 40 FJCB O=C1OC(c2ccc(Cl)cc2)=C/C1=C/c1ccc(Br)o1 2873543 MHEHQOMUPNFVBB-YFHOEESVSA-N 351.583 4.677 10 40 FJCB COc1ccccc1N1C(=O)/C(=C/c2ccc(SC)cc2)SC1=S 41108532 JVMJVFRBELKOTD-WJDWOHSUSA-N 373.524 4.823 10 40 FJCB CN(C)c1ccc(/N=N/c2ccc(S(=O)(=O)O)cc2)c2ccccc12 3895982 SBERNLZHGUBTKR-FMQUCBEESA-N 355.419 4.568 10 40 FJCB CCCN1CCN(c2c3ccc(Cl)cc3nc3ccc(OC)cc23)CC1 13063255 RJYBCCMXEPCTHV-UHFFFAOYSA-N 369.896 4.582 10 40 FJCB O=C1N=C(O)/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 14011211 VLWYCLRJYNSRKG-NTEUORMPSA-N 361.184 4.500 10 40 FJCB COc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC(C)CC3)cc2)cc1C 223274936 DMYNSOSNLXAALC-SFHVURJKSA-N 366.505 4.731 10 40 FJCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72216790 RCRBOJPEDKJAKW-SFHVURJKSA-N 355.482 4.951 10 40 FJCB CC(=O)c1ccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)cc1 256055386 FBZMNISZMGCNRU-BOPFTXTBSA-N 353.468 4.603 10 40 FJCB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)n1-c1ccccc1 260786571 YHQRSOSEYLOZSV-TYCQWZJGSA-N 374.513 4.770 10 40 FJCB CC(C)(C)c1ccc(/C=C2/SC(=S)N(c3cccnc3)C2=O)cc1 1255214 LVRMXPZCQZRALM-LFIBNONCSA-N 354.500 4.785 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(Cl)cc3)SC2=S)cc1 5371895 HTFGPEAGELQCRA-YBEGLDIGSA-N 373.886 4.948 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c(C)c1 33303588 HZXLSEVSEURQIW-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB O=C1/C(=C/c2cc3ccccc3o2)SC(=S)N1c1ccc(F)cc1 98002274 KHLFUSZRQSSCOD-YBEGLDIGSA-N 355.415 4.978 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(N3CCCC3)c3ccccc23)SC1=S 6205500 URMLULJEVJWKPW-AQTBWJFISA-N 368.527 4.661 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3cccc(C)c3C)c2C)cc1 6780925 GEAPSPPOXIEBBP-UHFFFAOYSA-N 360.457 4.841 10 40 FJCB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(O)c(O)c3)S2)cc1 6869024 IJLHOSHAUSRYBW-PDGQHHTCSA-N 368.458 4.523 10 40 FJCB COc1ccc(C2=NN(c3ccc(C)cc3)C(=O)/C2=C\c2ccccc2)cc1 18193120 GTNLDMIJXBDAAO-JWGURIENSA-N 368.436 4.838 10 40 FJCB CC(C)(C)c1ccc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)cc1 4675714 QVUNJXLSNGPHTO-WJDWOHSUSA-N 357.500 4.979 10 40 FJCB COc1ccccc1NC(=O)N[C@H](C)c1ccc(N2CCCCC2)cc1 225769404 ORSGAMDJPXNMFV-MRXNPFEDSA-N 353.466 4.568 10 40 FJCB CCOc1ccc(C(=O)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260741127 GLSLFVOPFUFNHI-KRWDZBQOSA-N 366.505 4.560 10 40 FJCB CCCN1C(=O)/C(=C/c2c(OCC)ccc3ccccc23)SC1=S 409342001 AZXWIDCYBOVONJ-ATVHPVEESA-N 357.500 4.850 10 40 FJCB CCc1cc2c(oc(=O)c3ccccc32)c(CN2CCCC[C@H]2CC)c1O 943871 RNHXDLGXQCNNDE-MRXNPFEDSA-N 365.473 4.979 10 40 FJCB Cc1ccc(N2C(=O)C(C)(C)[C@@H]2c2cc(Br)ccc2O)cc1 1078509 XRHSVSXYVPVTMG-INIZCTEOSA-N 360.251 4.577 10 40 FJCB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2C)cc1 44085582 PIPFITVCVYWTAK-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72216798 DYOMDUULERLUOA-NRFANRHFSA-N 359.473 4.857 10 40 FJCB CCOC(=O)c1sc2nc3c(c(/C=C/c4ccccc4)c2c1N)CCC3 714291 AOEYONXUPYYCTE-VAWYXSNFSA-N 364.470 4.714 10 40 FJCB Cc1ccc(NCN2C(=O)/C(=C\c3ccccc3)SC2=S)cc1Cl 4534438 KRPUDFRRSMHTTA-CXUHLZMHSA-N 374.918 4.919 10 40 FJCB Cc1cc(Br)ccc1NCc1cc(Br)ccc1O 44836244 CJWPYHGACGWZQR-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3ccccc3Cl)cc2)C1 225440179 FGBAGFFJKHACIJ-IAGOWNOFSA-N 370.924 4.996 10 40 FJCB CCCCCCOc1ccc(Cl)cc1/C=C1/SC(=S)NC1=O 408539074 FDVUIDMCENLYNA-GXDHUFHOSA-N 355.912 4.788 10 40 FJCB CCN(CC)c1ccc(/C=C2\SC(Nc3ccccc3C)=NC2=O)o1 204986680 VNSHGJJMDGYWHV-VBKFSLOCSA-N 355.463 4.517 10 40 FJCB CCOc1cccc(/C=C2/SC(=S)N(c3ccc(C)cc3)C2=O)c1 206141263 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FJCB O=S(=O)(O)c1ccc(N=Nc2ccc(NCc3ccccc3)cc2)cc1 13486960 RCJKNYGVAFFIEC-UHFFFAOYSA-N 367.430 4.961 10 40 FJCB COC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccc2ccccc12 408770187 UKAPSBUCYNWSOC-QNGOZBTKSA-N 369.420 4.717 10 40 FJCB Cc1cccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1C 4807283 TUGHOPMBMSNTOS-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C(=O)O)cc1)N2 6962800 CHHLXWQFMBTNCS-GJYPPUQNSA-N 364.401 4.736 10 40 FJCB COc1ccc(N(Cc2ccccc2)Cc2nnc(-c3ccccc3)o2)cc1 32836260 WIPVVHXJEOTCNR-UHFFFAOYSA-N 371.440 4.952 10 40 FJCB O=C1[C@H](/N=N/c2ccc(Br)cc2)Sc2nc3ccccc3n21 104087817 WEDUBELNWULICP-NIVDNSEKSA-N 373.235 4.655 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccc(F)cc3)cc2)CC1 223553633 UHUJABKBDHNBNW-SFHVURJKSA-N 368.496 4.872 10 40 FJCB Cc1nc2ccccc2c(=O)n1N=NN(c1ccccc1)c1ccccc1 252428192 TVHWTBCSWIJFSJ-UHFFFAOYSA-N 355.401 4.674 10 40 FJCB O=C1N=C(O)/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1c1ccccc1 1201084 XDITWUFHWLJCQZ-XYOKQWHBSA-N 361.184 4.500 10 40 FJCB Cc1ccc(C2=C/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C(=O)O2)cc1 2301751 LFMGAYSGKKKIHC-PDGQHHTCSA-N 372.376 4.935 10 40 FJCB Cc1nc(-c2ccsc2)sc1C(=O)N(C)Cc1ccc(N(C)C)cc1 12594778 SHUBDAQUWGSBAR-UHFFFAOYSA-N 371.531 4.518 10 40 FJCB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(N2CCCC2)cc1 59186091 OHGJVODWXZQZBG-BOPFTXTBSA-N 358.363 4.798 10 40 FJCB COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OCC(C)C 96193357 PYURAFCKZRZQGX-UNOMPAQXSA-N 364.445 4.536 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c1 219276402 NKZXSDJFVYRYDV-QUCCMNQESA-N 364.533 4.960 10 40 FJCB CCN(CC)c1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408556364 JYISTVGLSNJATN-LJQANCHMSA-N 360.910 4.965 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)SC1=S 35040968 RAZHKERXQATJKJ-LFIBNONCSA-N 370.455 4.563 10 40 FJCB CCN(CCCNC(=S)Nc1cc(C)ccc1C)c1ccc(C)cc1 225732615 QCEGGMGQZIESLP-UHFFFAOYSA-N 355.551 4.815 10 40 FJCB CC(C)c1cc(C(=O)N(C)Cc2ccc(N(C)C)cc2)c2ccccc2n1 27380175 CCMPPUPNFPGCHR-UHFFFAOYSA-N 361.489 4.696 10 40 FJCB CCOc1ccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2O)cc1 95912900 UFYNCPVACGOUTB-NRFANRHFSA-N 371.440 4.936 10 40 FJCB CC[C@]1(C)C[C@](CCNCc2ccccc2O)(c2ccc(F)cc2)CCO1 4166397 GNRUCBIEUBRFDK-DHIUTWEWSA-N 371.496 4.928 10 40 FJCB CCOC(=O)c1c(C)oc2c1c(CN(CC)CC)c(O)c1ccccc12 23224599 SCEQTUBWDPUQQP-UHFFFAOYSA-N 355.434 4.619 10 40 FJCB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1ccc(N2CCCCC2)cc1 223570288 HHKKAGZYVXOHAE-AWEZNQCLSA-N 360.860 4.960 10 40 FJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)c1 18063975 BSAGIILJJNJUPR-GZTJUZNOSA-N 355.484 4.718 10 40 FJCB O=C1S/C(=C/c2ccc(N3CCCC3)cc2)C(=O)N1CC1CCCCC1 409134184 NPUGLZFSJSSGBR-XMHGGMMESA-N 370.518 4.903 10 40 FJCB CCOc1cc(/C=C2/SC(Nc3ccccc3Cl)=NC2=O)ccc1O 2594332 NOWDUMOBGWEGRW-MHWRWJLKSA-N 374.849 4.527 10 40 FJCB CC[C@@]1(C)C[C@@](CCNCc2ccccc2O)(c2ccc(F)cc2)CCO1 4166396 GNRUCBIEUBRFDK-GOTSBHOMSA-N 371.496 4.928 10 40 FJCB COc1ccccc1N1C(=O)/C(=C\c2ccc(Cl)cc2)SC1=S 4719506 QUJCAVCRFIZXIQ-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@H](C)C2)cc1 260737623 MOZJIBAXFXDPDT-DOTOQJQBSA-N 368.550 4.674 10 40 FJCB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(/N=N\c2ccccc2)cc1 409289988 JJNSRDABDCDPLM-DQRAZIAOSA-N 372.340 4.811 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)c1 35040948 PAGLMQJZQWPVLL-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB COc1cc(C)c(C(=O)NCc2ccc(N3CCCC3)cc2)cc1C(C)C 225661821 JCAMMGVAHOFPKA-UHFFFAOYSA-N 366.505 4.657 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3ccccc3F)N=C2c2ccccc2)cc1 2311289 WWGSYBBEJBCNOV-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@@H]1[C@@H](c1cccc([N+](=O)[O-])c1)N2 5739827 QVAKCQCZQVIVJD-JTDSTZFVSA-N 365.389 4.946 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1 247322557 MKZHARQQNCHRIK-KEYYUXOJSA-N 370.792 4.773 10 40 FJCB CN(C)c1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 408766204 SMHQAYLGQXXSLH-OQKWZONESA-N 367.452 4.587 10 40 FJCB Cc1c(Cl)cccc1-n1c(C)cc(/C=C2\SC(=O)N(C)C2=O)c1C 408811906 NAAGHUKHAUEBRN-SXGWCWSVSA-N 360.866 4.722 10 40 FJCB CCN1C(=O)/C(=C/c2ccc(OCc3ccccc3C)cc2)SC1=S 1182989 YROXYAPNLYYHAQ-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB CC[C@H]1CCCCN1Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O 5047125 JNBMDXZIVGEYAQ-INIZCTEOSA-N 351.446 4.725 10 40 FJCB CC(C)n1c(NCc2cc(Br)ccc2O)nc2ccccc21 13687214 KPCMPXSJDILUMQ-UHFFFAOYSA-N 360.255 4.697 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(C(=O)O)cc1)N2 409155161 CHHLXWQFMBTNCS-GPMSIDNRSA-N 364.401 4.736 10 40 FJCB CCCOc1ccc2ccccc2c1/C=C1/SC(=S)N(CC)C1=O 409347728 QUSBUESHYIIANR-SFQUDFHCSA-N 357.500 4.850 10 40 FJCB O=C1c2ccccc2C(=O)c2c1ccc1c2N=C(c2ccccc2)CS1 3845279 GIWKHCMRFMTYLV-UHFFFAOYSA-N 355.418 4.689 10 40 FJCB biogenic Cc1oc2ccc(O)c(CN3CCCC[C@H]3C)c2c1C(=O)OCC(C)C 5182524 KARCTBDZJCECSU-CQSZACIVSA-N 359.466 4.634 10 40 FJCB COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409152560 JHNXPGDMKYHUMF-JZKQVHKSSA-N 364.401 4.516 10 40 FJCB O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CNc1ccccc1 33890608 SIZXCNAEXIUHBK-DESBJYGPSA-N 352.484 4.514 10 40 FJCB Cc1cc2c(cc1/C=C1/SC(=O)NC1=O)[C@@H](C)CC(C)(C)N2C(C)C 223598930 YVNIRKRFHUVCLA-YRUBURHZSA-N 358.507 4.820 10 40 FJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 226698571 FNZYWIBMBPUFFA-FHSNZYRGSA-N 371.780 4.983 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3cn(C)c4ccccc34)SC2=S)cc1 2406752 AILVQBSWQWDAKX-WQRHYEAKSA-N 364.495 4.893 10 40 FJCB C[C@H](NC(=S)Nc1ccccc1)c1ccc(N2CCC[C@@H](C)C2)cc1 217936696 XTTXKZDLQBBJSH-SJORKVTESA-N 353.535 4.971 10 40 FJCB CCCCN(CCCC)Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3 1917391 USEDWUWLBWNBGR-UHFFFAOYSA-N 357.494 4.780 10 40 FJCB S=C(NCc1cc2c3c(c1)CCCN3CCC2)Nc1ccc(Cl)cc1 4622951 YFFYRHSLVDBOAM-UHFFFAOYSA-N 371.937 4.525 10 40 FJCB O=C1c2ccccc2N[C@@H](c2ccc(O)c(O)c2)N1c1ccc(Cl)cc1 12632016 FLOLNFFZBVGROL-LJQANCHMSA-N 366.804 4.522 10 40 FJCB O=[N+]([O-])c1cccc(N[C@H](c2ccco2)c2ccc3cccnc3c2O)c1 943358 SPIWEAUKAPVJBW-IBGZPJMESA-N 361.357 4.643 10 40 FJCB O=C1/C(=C\c2c[nH]c3ccccc23)SC(=S)N1c1ccc(F)cc1 969632 BNBFXQVJCSLQHX-CXUHLZMHSA-N 354.431 4.713 10 40 FJCB CCOc1cccc(/C=C2\SC(=S)N(c3ccccc3C)C2=O)c1 60512507 FGTZJEMAKOIIHW-ATVHPVEESA-N 355.484 4.800 10 40 FJCB COc1ccc(/C=C2\SC(=S)N(c3ccc(C)cc3C)C2=O)cc1 3071931 MNFKPPAWFTUHGJ-BOPFTXTBSA-N 355.484 4.718 10 40 FJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(C(C)C)cc1 408998940 QWWZXBMILXFISI-YVLHZVERSA-N 356.516 4.706 10 40 FJCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1[N+](=O)[O-])N2 409157454 JFPQMRIDGYFWAH-PSTGCABASA-N 371.780 4.983 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc(C(=O)O)c2[C@@H]2C=CC[C@H]21 409167946 KLWZCLWOLVQUNZ-CZIZLABSSA-N 369.804 4.563 10 40 FJCB COc1ccccc1N/C=C1\SC(=S)N([C@H](C)c2ccccc2)C1=O 5021797 RQEKGBHKGCEYSB-KAECEXQPSA-N 370.499 4.570 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 6266246 MQKBUMHQHZUUDA-BXWFABGCSA-N 365.389 4.946 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@@H]1c1ccc(C)cc1 11692714 ZEOOYJIGXAYMHW-HXUWFJFHSA-N 350.462 4.815 10 40 FJCB Cc1cccc(NC2=NC(=O)/C(=C/c3cc(C)c(O)c(C)c3)S2)c1C 33668754 QEWMSXTXOJSEBD-YVLHZVERSA-N 352.459 4.708 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)Cc3cccc(Cl)c3)cc2)C1 260845573 UHQQSHZLSXMGOJ-DLBZAZTESA-N 370.924 4.996 10 40 FJCB CCCC(=O)N[C@@H](c1cccs1)c1cc(Cl)c2cccnc2c1O 801100 YGWFEEPDVXIOHB-MRXNPFEDSA-N 360.866 4.661 10 40 FJCB C=COC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 4181207 MDCDCWAZEQYFCZ-UHFFFAOYSA-N 370.377 4.926 10 40 FJCB COc1ccc(/C=C2\C=C(c3ccccc3)N(c3ccc(O)cc3)C2=O)cc1 5174108 RMNWFNMPVBXVPY-XDJHFCHBSA-N 369.420 4.872 10 40 FJCB CCOc1cc(Cl)c(/C=C2/C(=O)N(c3ccccc3)N=C2C)cc1OC 5651950 PATUDNFAYLRVTR-MHWRWJLKSA-N 370.836 4.553 10 40 FJCB CCCCc1ccc(N2C(=O)/C(=C/c3cccn3C)SC2=S)cc1 6635963 OZUVMERGSLYYMA-LGMDPLHJSA-N 356.516 4.774 10 40 FJCB CCN1C(=O)S/C(=C\c2ccc3c(c2)[C@H](C)CC(C)(C)N3CC)C1=O 208306630 HFJWJDPPBYLPCG-GPLLRDDGSA-N 358.507 4.855 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=O)CCc3ccc(Cl)cc3)cc2)C1 225309922 SANASKSNLOBXJA-QGZVFWFLSA-N 370.924 4.825 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccc(C)cc2)C(=O)N1c1ccccc1 408843378 LZWLTKNXVOSTRY-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB CCCN1C(=O)/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)SC1=S 409329047 CLGIYLUABXIMHH-BOPFTXTBSA-N 371.483 4.760 10 40 FJCB COc1ccc(N2C(=O)/C(=C/c3ccccc3F)N=C2c2ccccc2)cc1 4772653 STIPUWKDOKNMAG-QNGOZBTKSA-N 372.399 4.669 10 40 FJCB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1 260592250 RZXVRUKDIDQDLK-ROUUACIJSA-N 366.505 4.813 10 40 FJCB CC1(C)CC(=O)[C@@H]2[C@@H](C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 5011707 ZHDWDPIPLUXLRX-UXPWSPDFSA-N 365.433 4.547 10 40 FJCB Nc1nn2c(C(F)(F)F)cc(O)nc2c1/N=N/c1ccc2ccccc2c1 6865028 JZCQEPHTZGDARU-WCWDXBQESA-N 372.310 4.605 10 40 FJCB Cc1ccc(/C=C2\C(=N)N3N=C(CCC4CCCCC4)SC3=NC2=O)o1 80348183 OMOYEJHHEIPYDI-NMQBUZRESA-N 370.478 4.568 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)c(Cl)c2)C(=O)/C1=C\c1ccccc1 409022675 OYYZQAOUDATCAS-BOPFTXTBSA-N 367.832 4.526 10 40 FJCB COC(=O)c1ccc([C@H]2Nc3c(C)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@H]23)cc1 1462002 YBZYZLVFMPDZHI-GQIGUUNPSA-N 364.401 4.516 10 40 FJCB CCOC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccc([N+](=O)[O-])c1)N2 4321242 ZVADUHWSMMXPBN-ZWOKBUDYSA-N 364.401 4.598 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3cc(C)ccc3C)=NC2=O)cc1 6870269 WKWLYNXRNUHCBD-LDADJPATSA-N 352.459 4.785 10 40 FJCB CC1CCN([C@H](c2ccccn2)c2cc(Cl)c3cccnc3c2O)CC1 20192766 HZXZLKAAPIPTGN-FQEVSTJZSA-N 367.880 4.810 10 40 FJCB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)N2c2cccc(C)c2)cc1 408752815 CLHWEHHVKRTCAZ-CJLVFECKSA-N 368.436 4.838 10 40 FJCB CN1C(=O)/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)SC1=S 60512615 VFRLHWWGOKMACK-GXDHUFHOSA-N 363.548 4.818 10 40 FJCB O=C(/C=C/c1ccccc1Cl)NCc1ccc(N2CCCCC2)cc1 10113067 SNFOPAPGOMTCLR-JLHYYAGUSA-N 354.881 4.660 10 40 FJCB O=C1/C(=C\c2ccccn2)SC(=S)N1c1ccc(Cl)cc1Cl 47080732 FEHKCLOGRKYXTH-MDWZMJQESA-N 367.282 4.794 10 40 FJCB CCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OCC 83331694 BIWSKIBFAGWWER-RGEXLXHISA-N 364.445 4.680 10 40 FJCB Cc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)c1 668892 AKXCXPAUHXSXNC-QFIPXVFZSA-N 357.457 4.832 10 40 FJCB COC(=O)c1ccc(-n2c(C)cc(-c3cn4cc(C)ccc4n3)c2C)cc1 6315291 KBASRKQNJOXLLS-UHFFFAOYSA-N 359.429 4.504 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccc(Cl)cc3)=NC2=O)cc1 4426156 WYRHWDTYKQCZRT-LFIBNONCSA-N 358.850 4.821 10 40 FJCB CC1=NN(c2ccc(C)cc2)C(=O)/C1=C\Nc1cccc(C(F)(F)F)c1 100929731 RTVGVSVVVBJARP-BOPFTXTBSA-N 359.351 4.732 10 40 FJCB CN(C)c1ccc([C@H]2N=C(c3ccccc3)[C@H]3[C@@H](c4ccccc4)N23)cc1 25763166 RSXWXEAYFFVBFX-XECNEKFKSA-N 353.469 4.680 10 40 FJCB CCCCN1C(=O)/C(=C2\C=Cc3cc(C)ccc3N2CC)SC1=S 3145652 YPHSFNZLZHGBLY-MSUUIHNZSA-N 358.532 4.720 10 40 FJCB COc1ccccc1/C=C1\SC(Nc2ccc(C)c(Cl)c2)=NC1=O 5601951 BVKHRSVALPQKNJ-SXGWCWSVSA-N 358.850 4.739 10 40 FJCB CCN(CC)c1ccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)cc1 16441316 FXYVWRABZYHABB-LGMDPLHJSA-N 353.853 4.919 10 40 FJCB CCCOc1ccc(/C=C2\SC(=S)N(c3ccccc3)C2=O)cc1 33436719 DFQQULRNILHALZ-LGMDPLHJSA-N 355.484 4.881 10 40 FJCB CCc1ccc(-n2c(C)cc(/C=C3/SC(=O)N(CC)C3=O)c2C)cc1 409075441 YUCBRFYXMPBHTH-LDADJPATSA-N 354.475 4.713 10 40 FJCB CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1 3954450 QDTNJAYLSJACEQ-UHFFFAOYSA-N 363.442 4.503 10 40 FJCB in-vitro CCc1ccc([C@@H]2Nc3c(OC)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 4675702 PYUAYCFNJSPPJH-YRNRMSPPSA-N 350.418 4.992 10 40 FJCB CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2 226728024 RUSLRORVXJHXSF-FUHIMQAGSA-N 352.865 4.916 10 40 FJCB O=C1/C(=C/c2ccccc2)SC(=S)N1CNc1ccccc1Cl 3173578 JNBPTKUPEXYKDD-GDNBJRDFSA-N 360.891 4.611 10 40 FJCB N=C1/C(=C/c2cccc(Cl)c2)C(=O)N=C2SC=C(c3ccccc3)N12 4856955 CGYUKZQCBJKIBX-SRRKIXIOSA-N 365.845 4.644 10 40 FJCB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)c1ccc2ccccc2c1 6829939 LMHZBNZQOCFIDD-UHFFFAOYSA-N 370.437 4.634 10 40 FJCB CCCCc1ccc(N2C(=O)/C(=C\c3cccnc3)SC2=S)cc1 7737318 LOPCDARWVSODHM-SFQUDFHCSA-N 354.500 4.830 10 40 FJCB O=[N+]([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2 20704191 FNZYWIBMBPUFFA-SNUQEOBHSA-N 371.780 4.983 10 40 FJCB Cc1cc(C(=O)NCCc2ccccn2)c(C)n1-c1ccc(C(C)C)cc1 32657382 CQSREVUCOORGMK-UHFFFAOYSA-N 361.489 4.585 10 40 FJCB CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2 226728035 RUSLRORVXJHXSF-MBOZVWFJSA-N 352.865 4.916 10 40 FJCB COc1ccc(OC)c(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)c1 408722558 KNLNSFLVEQRYGB-BOPFTXTBSA-N 350.414 4.809 10 40 FJCB CN(C)c1ccc(/C=C/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1 409126686 BNDOBWIGOWUUQF-AVSIYSEJSA-N 370.518 4.925 10 40 FJCB Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc2ccccc2c1 409002187 YUNYHHCENJDDJR-WQRHYEAKSA-N 364.495 4.736 10 40 FJCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(C)cc1 924738 XGMNQSMSMHTGOG-UHFFFAOYSA-N 351.475 4.609 10 40 FJCB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2O)C[C@H]1c1ccccc1 1283317 ZOFJXBBLZXKSMK-BQXQKYNTSA-N 368.436 4.783 10 40 FJCB COc1ccc(-n2c(C)cc(C(=O)COc3cccc(F)c3)c2C)cc1 3270094 ALOWNAKZYSHQMY-UHFFFAOYSA-N 353.393 4.504 10 40 FJCB COc1ccc2nc3cc(Cl)ccc3c(NCCCCN(C)C)c2c1 4769462 TVWJQJOUPWKFKT-UHFFFAOYSA-N 357.885 4.804 10 40 FJCB Cc1ccc(NC(=S)NCc2ccc(N3CCC[C@H](C)C3)cc2)cc1 260732911 CXVSXRPCKSLTAD-KRWDZBQOSA-N 353.535 4.718 10 40 FJCB CCOc1cccc(/C=C2/SC(=S)N(c3ccccc3F)C2=O)c1 409329906 IQFKUXBTUBTXSA-LFIBNONCSA-N 359.447 4.630 10 40 FJCB CCOc1ccc(/C=C2/SC(=S)N(c3ccccc3C)C2=O)cc1 1190562 JRNJJWILRZCZEE-SFQUDFHCSA-N 355.484 4.800 10 40 FJCB Cc1cc(C(=O)NCc2ccc(-c3ccccc3)o2)c(C)n1-c1ccccn1 84081375 JMGVXHDTGLGDIQ-UHFFFAOYSA-N 371.440 4.679 10 40 FJCB Cc1cccnc1NC(=S)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 225671492 MOZJIBAXFXDPDT-NVXWUHKLSA-N 368.550 4.674 10 40 FJCB CC(C)(C)C(=O)C[C@@H](c1ccccc1)C1(Cl)C(=O)c2ccccc2C1=O 59500872 AEUAXGURGRYAJE-KRWDZBQOSA-N 368.860 4.832 10 40 FJCB CCc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCCCC3)cc2)cc1 225126409 MXTOSAJNGBSDFN-SFHVURJKSA-N 350.506 4.659 10 40 FJCB O=[N+]([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccc1[N+](=O)[O-])N2 409157449 JFPQMRIDGYFWAH-PEBVRCNWSA-N 371.780 4.983 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)O)c3[C@@H]3C=CC[C@@H]32)cc1 37613801 UDYHMAFBLLUKCT-GLJUWKHASA-N 355.821 4.873 10 40 FJCB CCOc1ccc(C(=O)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219957177 RZXVRUKDIDQDLK-QZTJIDSGSA-N 366.505 4.813 10 40 FJCB COc1cccc(NC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c1 225763216 AYWOJZXBEBFYRT-QGZVFWFLSA-N 367.493 4.814 10 40 FJCB Cc1ccc(OCCn2c(CCC(=O)O)ccc2-c2ccc(C)cc2)cc1 409379056 UVOQLPBWGOHAQE-UHFFFAOYSA-N 363.457 4.868 10 40 FJCB COc1cccc(/C=C2\SC(=S)N(c3cccc(Cl)c3)C2=O)c1 33293984 LNBHUOQAGBQVGJ-DHDCSXOGSA-N 361.875 4.754 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)cc1 5371168 AZGDTBKRDMYJFX-BOPFTXTBSA-N 353.468 4.603 10 40 FJCB O=C1c2ccccc2N[C@@H](c2cc(Cl)ccc2O)N1Cc1ccccc1 7884275 DBMAHIOQAMURCF-HXUWFJFHSA-N 364.832 4.812 10 40 FJCB CN(C)Cc1c(O)c2ccccc2c2occ(C(=O)c3cccs3)c12 20392671 FCOJLFJOSUARLY-UHFFFAOYSA-N 351.427 4.646 10 40 FJCB COc1cc2c(cc1NCC(=O)Nc1ccc(C)cc1)oc1ccccc12 11619204 GCCHYMJHKZVFLI-UHFFFAOYSA-N 360.413 4.954 10 40 FJCB Oc1ccc(-c2nc(-c3cccnc3)c(-c3ccc(Cl)cc3)[nH]2)cc1O 13218737 XBQFLECFOCZWAR-UHFFFAOYSA-N 363.804 4.870 10 40 FJCB CC(=O)c1csc(NC(=O)c2cc(-n3c(C)ccc3C)ccc2Cl)n1 32865631 XMUYRMQNFHDQJJ-UHFFFAOYSA-N 373.865 4.659 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(C)cc1 408843753 SCVJWNVVJUVELH-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB CCc1c(C)c2cc(Cl)c(O)c(CN3CCCC[C@H]3CC)c2oc1=O 20393895 PFDDGUWIRTVZEM-CYBMUJFWSA-N 363.885 4.787 10 40 FJCB CN(Cc1ccccc1O)C(=O)NCCC(c1ccccc1)c1ccccc1 32927841 SSPGAFFZHFUWLB-UHFFFAOYSA-N 374.484 4.756 10 40 FJCB Cc1ccc([C@@H](NC(=O)C(C)C)c2cc(Cl)c3cccnc3c2O)cc1 801091 NSHKLFCPKDWPFW-GOSISDBHSA-N 368.864 4.764 10 40 FJCB O=[N+]([O-])c1cccc(N[C@@H](c2ccco2)c2ccc3cccnc3c2O)c1 943359 SPIWEAUKAPVJBW-LJQANCHMSA-N 361.357 4.643 10 40 FJCB COc1ccccc1N[C@H](c1cccnc1)c1ccc2cccnc2c1O 1448886 RTAVGXLOBDXKDJ-HXUWFJFHSA-N 357.413 4.546 10 40 FJCB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(N(C)C)cc2)cc1 2287221 NUMIYMBWSJVYNX-QFIPXVFZSA-N 373.456 4.532 10 40 FJCB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(/N=N/c2ccccc2)cc1 4853026 QOGGNGICQYXDPW-FUDMCJLLSA-N 357.413 4.804 10 40 FJCB CN(C)c1ccc([C@@H]2N(C)c3ccccc3-c3nc4ccccc4n32)cc1 13714271 DWIWEAXWNVCICI-HSZRJFAPSA-N 354.457 4.766 10 40 FJCB CCC(=O)N[C@H](c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O 39708024 UBXNKZMEILMCBI-GOSISDBHSA-N 354.837 4.518 10 40 FJCB CCOc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)ccc1OC(C)C 96193320 NXWIMNVJOOKQJG-UYRXBGFRSA-N 364.445 4.679 10 40 FJCB CCN(CC)Cc1cc(Nc2ccnc3ccc(OC)cc23)ccc1O 1729641 GDEWTNPUQPVYHV-UHFFFAOYSA-N 351.450 4.534 10 40 FJCB CN(Cc1ccc(N2CCCCC2)cc1)C(=O)C1(c2ccc(F)cc2)CC1 83862547 OZCGPKMEQLDOQB-UHFFFAOYSA-N 366.480 4.506 10 40 FJCB CCC(CC)C(=O)N1N=C(c2ccccc2O)C[C@H]1c1cccc(C)c1 95116588 ZYXXBDNGLMKDRQ-FQEVSTJZSA-N 350.462 4.815 10 40 FJCB Cc1ccc(NC(=S)NCc2ccc(N3CCCCC3)cc2)c(C)c1 225415101 BRKWFJSUOIIABL-UHFFFAOYSA-N 353.535 4.780 10 40 FJCB CCN(CC)c1ccc(CNC(=O)c2ccc(Cl)cc2Cl)cc1 225710011 LJCCTEZMGHJDAI-UHFFFAOYSA-N 351.277 4.770 10 40 FJCB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1ccccc1Cl 408999108 KFUVCCGESRPXRN-ATVHPVEESA-N 367.832 4.526 10 40 FJCB CCN(CC)c1ccc(/N=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 4309498 ZXCDGYQZBHEDDH-GHVJWSGMSA-N 363.465 4.746 10 40 FJCB CN(CCCNC(=S)Nc1ccc(C(F)(F)F)cc1)c1ccccc1 225748091 MFCJHHUVGNZRMS-UHFFFAOYSA-N 367.440 4.518 10 40 FJCB Cc1ccc(NC(=O)C(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1C 6780945 QXYAUTOAKHAUMK-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB CCN(Cc1cccc(Br)c1)c1ccc2c(c1)OC(F)(F)O2 585090206 MCAJPQYCPMEPLO-UHFFFAOYSA-N 370.193 4.797 10 40 FJCB O=C1N=C(O)/C(=C/c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 35129154 YOBKJZUSCMWPMN-LCYFTJDESA-N 361.184 4.500 10 40 FJCB Cc1ccc(NC(=S)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)nc1 225657386 JTSIKCXQLOIZIU-QGZVFWFLSA-N 368.550 4.674 10 40 FJCB O=C(Nc1ccc(/N=N\c2ccccc2)cc1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 409388694 WJKROIRBQRZHQI-JZTJGOHHSA-N 361.401 4.563 10 40 FJCB Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1 4597427 RZZMLQUIUHVURI-UHFFFAOYSA-N 364.792 4.522 10 40 FJCB CC(C)c1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1 5174955 DQCSOCFYKWQBON-UHFFFAOYSA-N 365.502 4.941 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 6844888 AZGDTBKRDMYJFX-GZTJUZNOSA-N 353.468 4.603 10 40 FJCB CSc1cccc(N2C(=O)/C(=C\c3ccc(O)cc3)SC2=S)c1 9295502 NMKZRUNLCFYJDM-OQLLNIDSSA-N 359.497 4.520 10 40 FJCB O=c1oc2c(/N=N/c3cccc([N+](=O)[O-])c3)c(O)ccc2c2c1CCCC2 100597400 QYBYLUPDXKPIIW-QZQOTICOSA-N 365.345 4.701 10 40 FJCB Cn1cc(/C=C2\SC(=S)N(c3ccc(F)cc3)C2=O)c2ccccc21 5157105 SUBZNIIKOJVQQN-YVLHZVERSA-N 368.458 4.723 10 40 FJCB CC(C)N1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O 208219914 AIKGYCGPXWPDNK-NWRYFCBHSA-N 358.507 4.853 10 40 FJCB CC(C)Oc1ccccc1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408971540 HZMGROZXGGHCHY-VBKFSLOCSA-N 374.362 4.822 10 40 FJCB Cc1ccc(C2=C/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)O2)cc1C 409051490 DJFXFMXVBQEKSU-OVCLIPMQSA-N 355.777 4.846 10 40 FJCB CC(C)Oc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 409327060 HFZSJCRUXNMEOS-LDADJPATSA-N 369.511 4.875 10 40 FJCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1ccc(Cl)cc1 13228183 HEIZGWITSXSMKQ-ZROIWOOFSA-N 371.874 4.622 10 40 FJCB CCN1c2cc(C)c(/C=C3/SC(=S)NC3=O)cc2[C@@H](C)CC1(C)C 223577415 BERMPDQZXWWVLE-RGZVIEDOSA-N 360.548 4.596 10 40 FJCB COc1ccc(N2C(=O)/C(=C/c3ccccc3Cl)SC2=S)cc1 1188788 UVQZFAOEBQYORN-GDNBJRDFSA-N 361.875 4.754 10 40 FJCB CCCCOc1ccc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1 2678008 MFZOMARKMLBIPL-SFQUDFHCSA-N 373.499 4.860 10 40 FJCB CC1(C)CC(=O)[C@H]2[C@@H](C1)Nc1ccccc1N[C@H]2c1cccc([N+](=O)[O-])c1 5011710 FFDVJTDNVGIUNO-RLLQIKCJSA-N 365.433 4.547 10 40 FJCB CC1=NN(c2ccccc2C)C(=O)/C1=C/c1ccc(Br)cc1 18192740 JMRRDTZQUFRJIF-LFIBNONCSA-N 355.235 4.564 10 40 FJCB CCSc1ccccc1C(=O)NCc1ccc(N2CCCCC2)cc1 219647094 DYHIVRHKUZACLG-UHFFFAOYSA-N 354.519 4.719 10 40 FJCB CCOC(=O)c1sc2cccc(F)c2c1CSc1nccs1 64661085 UJKZDZQMHPLURY-UHFFFAOYSA-N 353.465 4.966 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)cc1C 260455457 SBMGHVSBFFSPPL-FXAWDEMLSA-N 364.533 4.960 10 40 FJCB CC[C@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl 409378706 QPCMDVSCKWSSLB-ADVUTCEVSA-N 355.912 4.738 10 40 FJCB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)c(Cl)cc1OC 408904119 FAHYZDIWLATGCB-MHWRWJLKSA-N 370.836 4.553 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccc(Cl)cc2)C(=O)/C1=C\c1ccccc1 17299832 JNICDVIXPFOMBZ-AQTBWJFISA-N 367.832 4.607 10 40 FJCB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(C(=O)O)cc1 35397589 LBDLPKCQEWJQPV-PDGQHHTCSA-N 374.421 4.620 10 40 FJCB CCN(CC)c1ccc(CNC(=O)c2ccccc2SC(C)C)cc1 225397162 BRWQWSSSLVIMNW-UHFFFAOYSA-N 356.535 4.963 10 40 FJCB CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(C)c2)C1=O 9188472 RQBHVEZAURTOTE-ATVHPVEESA-N 355.484 4.800 10 40 FJCB Cc1cc(C)cc(Oc2coc3c(CN4CCCC4)c(O)ccc3c2=O)c1 19791888 HIQBXKJSPUSKTG-UHFFFAOYSA-N 365.429 4.504 10 40 FJCB biogenic CC(C)c1ccc(NC(=S)NCCCN2CCCc3ccccc32)cc1 225744842 GSQYFAZMMJFVGQ-UHFFFAOYSA-N 367.562 4.939 10 40 FJCB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCC(C)CC2)cc1 225769274 BXCCVFTXFGHEGJ-KRWDZBQOSA-N 367.493 4.814 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)cc1 219274372 QCYMIRAUZMHSMK-MOPGFXCFSA-N 350.506 4.651 10 40 FJCB Cc1ccc(CC(=O)N[C@H](C)c2ccc(N3CCC(C)CC3)cc2)c(C)c1 223395409 STLLIYZRNBDWOJ-HXUWFJFHSA-N 364.533 4.960 10 40 FJCB O=C1N=C(NC2CCCCC2)S/C1=C\c1cccc(C(F)(F)F)c1 12565720 BWGPYGKWCDIQKF-UVTDQMKNSA-N 354.397 4.598 10 40 FJCB C[C@H](NC(=O)Cc1cccc(Cl)c1)c1ccc(N2CCC[C@@H](C)C2)cc1 224729788 UHQQSHZLSXMGOJ-SJORKVTESA-N 370.924 4.996 10 40 FJCB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccc(F)c(Cl)c1 408819357 RNVNIWPRTPPDDU-VIZOYTHASA-N 364.829 4.553 10 40 FJCB COc1ccc([C@@H]2Nc3c(ccc(C(=O)O)c3C)[C@@H]3C=CC[C@@H]32)c(OC)c1 408862200 DLEZWVFVUWPGII-VWKPWSFCSA-N 365.429 4.537 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C\c3cccc(C)c3)SC2=S)c1 6860257 CJNUPGHHDVACGD-LICLKQGHSA-N 353.468 4.603 10 40 FJCB O=C1/C(=C/c2c(Cl)cccc2Cl)SC(=S)N1c1cccnc1 16441146 QLXIKWKBGRCQND-QPEQYQDCSA-N 367.282 4.794 10 40 FJCB [N-]=[N+]=N[C@@]1(Cc2ccccc2)C(=O)c2ccccc2N(c2ccccc2)C1=O 100931166 PAXVTICAXGOZLN-QFIPXVFZSA-N 368.396 4.839 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 6943501 ZZUQVBZLDCGSJG-QKLQHJQFSA-N 350.418 4.992 10 40 FJCB O=[N+]([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@@H]21 58929099 LWHGNEJRXGHHKE-VGTOOOLASA-N 371.780 4.983 10 40 FJCB CCN(CC)c1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222560731 SQSBFKFFEZFVAZ-RYGJVYDSSA-N 366.534 4.517 10 40 FJCB CCN1C(=O)/C(=C/c2c(OC(C)C)ccc3ccccc23)SC1=S 409327731 MAKAATFVBHYXES-BOPFTXTBSA-N 357.500 4.848 10 40 FJCB COc1ccccc1C1=N/C(=C/c2ccccc2)C(=O)N1c1cccc(C)c1 408839913 BIRDECYUUVCPHU-LTGZKZEYSA-N 368.436 4.838 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3ccccc3[N+](=O)[O-])SC2=S)c(C)c1 2251069 RLRLLVGDHJLIPC-YBEGLDIGSA-N 370.455 4.617 10 40 FJCB CCN(CC)c1ccc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C)C4)N2)cc1 4092281 IRTDZPFJEUAKEZ-ORAYPTAESA-N 369.534 4.573 10 40 FJCB CN1C(=O)/C(=C\c2ccc(-c3cccc4ccccc34)o2)SC1=S 5003272 FXQACSRNCAJDGL-GZTJUZNOSA-N 351.452 4.931 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)cc([N+](=O)[O-])cc2[C@H]2C=CC[C@@H]21 409160246 WKVRVLSRPMWXTK-NVGCLXPQSA-N 370.792 4.773 10 40 FJCB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=S)NC1CCCC1 17074054 QFXBRJPCUZMPBQ-UHFFFAOYSA-N 358.894 4.800 10 40 FJCB COc1ccc(S(=O)(=O)Nc2ccc(/N=N\c3ccccc3)cc2)cc1 100841929 RVWCSLOUCISZMN-MRCUWXFGSA-N 367.430 4.911 10 40 FJCB CCN1C(=O)/C(=C/c2ccccc2OCc2cccc(C)c2)SC1=S 1180957 DFUUKXWGKNTZOR-PDGQHHTCSA-N 369.511 4.795 10 40 FJCB CCOc1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1O 72414058 GCOOIWKQJGSFOR-QFIPXVFZSA-N 371.440 4.936 10 40 FJCB C[C@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccccc3)cc2)C1 260467484 ZDXHKCPMWGGKNP-RBUKOAKNSA-N 350.506 4.733 10 40 FJCB CCN1C(=O)/C(=C\C=C/C=C2/N(C)c3ccccc3C2(C)C)SC1=S 1775984648 LBVMIHIHKCNSBK-URYAEUJWSA-N 370.543 4.618 10 40 FJCB CC1(C)CC(=O)[C@H]2[C@H](C1)Nc1ccccc1N[C@H]2c1ccccc1[N+](=O)[O-] 5011706 ZHDWDPIPLUXLRX-DBVUQKKJSA-N 365.433 4.547 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C\c3ccccc3C)SC2=S)cc1 6860960 IPIKOCBPWWGQGI-GZTJUZNOSA-N 353.468 4.603 10 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COC(=O)c1ccc(C)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 409171161 YIQBLUYABPJBAK-GUXCAODWSA-N 364.401 4.516 10 40 FJCB Cc1nn(C(=S)S)c(C)c1/N=N/c1ccc(Br)cc1 17888246 KDNBVVSEPMVTJE-CCEZHUSRSA-N 355.286 4.741 10 40 FJCB Cc1cc(N2CCCC2)ccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 408960063 IWJAWLOJXWXWDP-RGEXLXHISA-N 364.470 4.836 10 40 FJCB CCOc1c(Cl)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1OC 14010241 ABXRYDXGQIEZIG-YBEGLDIGSA-N 370.836 4.553 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)N2 111441262 MQKBUMHQHZUUDA-GPMSIDNRSA-N 365.389 4.946 10 40 FJCB Cc1cc(C)c(C(=O)NCc2ccc(N3CCC[C@@H](C)C3)cc2)cc1C 225650622 MYLCBAINZHMHPJ-MRXNPFEDSA-N 350.506 4.778 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3ccc(F)cc3)cc2)C1 225690230 IIFZWWJHVGBYTI-OAHLLOKOSA-N 357.498 4.549 10 40 FJCB Cc1ccc(NC2=NC(=O)/C(=C\C=C\c3ccccc3[N+](=O)[O-])S2)cc1 7164973 QZILLARTHHJYBK-MLIFEPNPSA-N 365.414 4.542 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1cccc(Cl)c1C 112115585 OFAWEHDCKMHPOU-PDGQHHTCSA-N 357.816 4.896 10 40 FJCB COC(=O)c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(OC)c1)N2 409171355 ZPGWJARJBQUHDE-VCBZYWHSSA-N 369.848 4.962 10 40 FJCB CN(C)c1ccc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 15009928 BKVHKTIANXGDSL-YBEGLDIGSA-N 358.850 4.647 10 40 FJCB Cc1ccc(C)c(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)c1 35040984 HDYQTNFXNZAPRL-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB CS[C@H](C)C(=O)N[C@@H](c1ccccc1)c1c(O)ccc2ccccc12 48342540 OYOGEYYBSLATSR-VLIAUNLRSA-N 351.471 4.503 10 40 FJCB Oc1ccc(Cl)cc1C1=NN2[C@@H](C1)c1ccccc1O[C@H]2c1ccco1 10215332 VRJGVANABHFNMB-JXFKEZNVSA-N 366.804 4.881 10 40 FJCB COc1ccc(CN(Cc2c(O)c(Cl)cc(Cl)c2O)C2CC2)cc1 24988816 KHIGAEVYQBKFET-UHFFFAOYSA-N 368.260 4.578 10 40 FJCB COc1ccccc1NC(=O)N[C@@H](C)c1ccc(N2CCCCC2)cc1 225769382 ORSGAMDJPXNMFV-INIZCTEOSA-N 353.466 4.568 10 40 FJCB COc1ccc([C@@H]2Nc3ccc(C(C)=O)cc3[C@H]3C=CC[C@@H]32)cc1[N+](=O)[O-] 4140472 FMQCSUOOUCKXTD-QYWGDWMGSA-N 364.401 4.633 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C/C=C/c3ccco3)SC2=S)cc1 4387523 NNRAFANMPBAKOC-JLJGJNDSSA-N 357.456 4.640 10 40 FJCB COc1ccccc1C1=N/C(=C/c2cccs2)C(=O)N1c1ccccc1 408846128 XPAYUSUDXSYEMD-NBVRZTHBSA-N 360.438 4.591 10 40 FJCB COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1ccc(Cl)cc1 408892878 KNJBBOIZDLVBSA-PDGQHHTCSA-N 367.832 4.526 10 40 FJCB Cc1ccc(C)n1-c1ccsc1-c1cc2nccc(-c3cccnc3)n2n1 4053755 KTSJOVIHINMHHI-UHFFFAOYSA-N 371.469 4.927 10 40 FJCB COc1cccc(CN(C)Cc2cc(Cl)c3ccccc3c2O)c1OC 13074018 YZMJACLWJMREHT-UHFFFAOYSA-N 371.864 4.848 10 40 FJCB CCc1ccccc1N1C(=O)/C(=C/c2cccc(OC)c2)SC1=S 5371300 MYHDLDLQFPVLNL-ATVHPVEESA-N 355.484 4.663 10 40 FJCB Cc1ccc(NS(=O)(=O)c2ccc(-n3c(C)ccc3C)cc2)cc1C 58850378 KRMLHXVELKLYDM-UHFFFAOYSA-N 354.475 4.512 10 40 FJCB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3cccc(OC)c3)c2C)C1=O 409241120 IUZIYQIJLWEURZ-WQRHYEAKSA-N 370.474 4.549 10 40 FJCB COc1ccc(/C=C2\N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 1091421 IIBFHRYEKMHKHT-PGMHBOJBSA-N 354.409 4.530 10 40 FJCB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(O)c(O)c1 199412903 ONZMUAUBXMVIIS-UHFFFAOYSA-N 371.440 4.777 10 40 FJCB CC1=CC(C)(C)N(C)c2cc(Cl)c(/C=C3/SC(=O)N(C)C3=O)cc21 208472896 IDSLTEUQFSOHSS-VIZOYTHASA-N 362.882 4.638 10 40 FJCB C[C@H]1CCCN(c2ccc([C@H](C)NC(=S)Nc3ccccc3)cc2)C1 260467464 XTTXKZDLQBBJSH-IRXDYDNUSA-N 353.535 4.971 10 40 FJCB c1csc([C@@H](Cc2ccsc2)NCc2ccc(N3CCCC3)cc2)n1 19334664 GDWGGVBHIZRXHD-LJQANCHMSA-N 369.559 4.878 10 40 FJCB COc1cccc(/C=C2/C=C(c3cccc4ccccc34)OC2=O)c1OC 408723018 PNUMMJWXOXPOPT-LGMDPLHJSA-N 358.393 4.838 10 40 FJCB O=C1c2cccc(NCCc3ccccc3)c2C(=O)c2cccc(Cl)c21 5128420 FWIQMHZFQZHKSZ-UHFFFAOYSA-N 361.828 4.770 10 40 FJCB O=C1CSC([C@H](/N=N/c2ccc(Cl)cc2)c2nc3ccccc3[nH]2)=N1 17218256 HMYOJHODMMXPRD-MTLKIYMJSA-N 369.837 4.713 10 40 FJCB C[C@@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(F)c3)cc2)C1 225690629 MVMWQQGDZDJUDL-OAHLLOKOSA-N 357.498 4.549 10 40 FJCB Oc1c([C@H](Nc2nccs2)c2ccc(F)cc2)ccc2cccnc12 947312 MLKKTZWMRMTPFK-MRXNPFEDSA-N 351.406 4.738 10 40 FJCB Cc1cccc(N[C@@H](c2cccnc2)c2ccc3ccc(C)nc3c2O)n1 1168743 JZQFHHSCGKQVTR-FQEVSTJZSA-N 356.429 4.549 10 40 FJCB O=C1/C(=C\c2ccccc2)SC(=S)N1CNc1cccc(Cl)c1 3149843 ZZNHESGIFCIKGI-OQLLNIDSSA-N 360.891 4.611 10 40 FJCB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c1 5371169 IUJODHMWJZTIJL-YVLHZVERSA-N 353.468 4.603 10 40 FJCB Cc1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(N3CCCC3)cc2)c1 225693663 IKMWDAWYQMNBLC-KRWDZBQOSA-N 353.535 4.951 10 40 FJCB O=C1/C(=C/c2ccc(O)c(Cl)c2)SC(=S)N1c1cccc(F)c1 409327396 JKZNIGFQUAOGLN-AUWJEWJLSA-N 365.838 4.591 10 40 FJCB O=C1N=C(Nc2ccccc2)S/C1=C\c1ccc(Br)cc1 3428960 SIGFIKCDWOFFJG-UVTDQMKNSA-N 359.248 4.532 10 40 FJCB Cc1cccc(C)c1NC(=O)C(=O)c1cc(C)n(-c2ccc(F)cc2)c1C 6780943 UCEOVSJGLKEQMT-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB Cc1ccc(/C=C2\SC(=S)N(CNc3ccc(Cl)cc3)C2=O)o1 14922739 GZERZVIQZDVFNZ-ZSOIEALJSA-N 364.879 4.512 10 40 FJCB CC1=NN(c2ccc(F)cc2)C(=O)/C1=C(/C)Nc1ccc(Cl)cc1C 112115502 RHJMZZBDEXKVIZ-PDGQHHTCSA-N 357.816 4.896 10 40 FJCB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 4155631 CNNAEZHUZYDGLU-WWWFNMJVSA-N 351.406 4.932 10 40 FJCB CCN1C(=O)/C(=C\c2ccc(N(C)c3ccccc3)cc2)SC1=S 5694522 CPNWAHJFKDXSIK-GHRIWEEISA-N 354.500 4.676 10 40 FJCB Cc1ccc2[nH]cc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)c2c1 27842684 UBNWQOOEIQLGDQ-ZDLGFXPLSA-N 364.495 4.878 10 40 FJCB Cc1c(C)c2ccc(O)c(CN3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2oc1=O 85874685 DOMFEXXCUQKJJT-IVZQSRNASA-N 355.478 4.516 10 40 FJCB Cc1cccc(N2C(=O)/C(=C\c3ccc(F)cc3)N=C2c2ccccc2)c1 408758698 PIZIBZHRMRFCOG-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB COc1ccccc1N1C(=O)/C(=C\c2ccccc2Cl)SC1=S 4713717 XVBDQFHDOVAQOG-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB CCCCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1 12631515 IASUXEQABWMYRT-JXAWBTAJSA-N 352.459 4.948 10 40 FJCB CSc1ccc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1 16248729 SLVNKOTZVDMZJJ-LFIBNONCSA-N 357.525 4.810 10 40 FJCB COC(=O)c1ccc2c(c1C)N[C@H](c1ccccc1[N+](=O)[O-])[C@@H]1CC=C[C@@H]21 409150563 CRFMYCOVXFREOX-SXGZJXTBSA-N 364.401 4.516 10 40 FJCB Cc1cc2n(n1)[C@@H](c1cc(C(C)(C)C)c(O)cc1O)Nc1c(C)cccc1-2 627819 BTYWXXBMXWPIGZ-NRFANRHFSA-N 363.461 4.848 10 40 FJCB CCCCN1C(=O)/C(=C/C=C/C=C/Nc2ccc(OC)cc2)SC1=S 2520680 BYQIFSQPWWZMGS-ICGSTPTISA-N 374.531 4.721 10 40 FJCB CCN(CC)c1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C)cc1 5027519 NWNOKVOSQUMLCT-ZHZULCJRSA-N 367.880 4.992 10 40 FJCB COc1ccc(N(Cc2ccccc2O)C(=S)NC2CCCCC2)cc1 7582041 TUQOHKXSIQLYRI-UHFFFAOYSA-N 370.518 4.615 10 40 FJCB CCNC(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2 14465747 RUSLRORVXJHXSF-UWVAXJGDSA-N 352.865 4.916 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(C)n(-c2ccccc2)c1C 35374908 PMOODTGMDSKDFU-PXLXIMEGSA-N 355.441 4.900 10 40 FJCB Oc1ccc(Br)cc1CNc1cccc(OC(F)(F)F)c1 44836231 ZQOZIGYXJNEFKQ-UHFFFAOYSA-N 362.145 4.665 10 40 FJCB Cc1cc(C(=O)[C@H](C)OC(=O)C2CCC2)c(C)n1-c1ccc(Cl)cc1 5399278 FQBLOPZGUUQQGX-AWEZNQCLSA-N 359.853 4.662 10 40 FJCB CCN(CC)c1ccc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc1 213606148 BSVSEZSKICWZSH-AQTBWJFISA-N 368.458 4.892 10 40 FJCB O=C1/C(=C\c2ccco2)N=C(c2ccc(Cl)cc2)N1c1ccc(F)cc1 408767680 ZYCAVHBTVPLTQK-LDADJPATSA-N 366.779 4.907 10 40 FJCB CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2F)C1=O 409332586 QLLNTLOUUYEXOZ-WJDWOHSUSA-N 359.447 4.630 10 40 FJCB Cc1cc([N+](=O)[O-])c2c(c1C)[C@@H]1C=CC[C@H]1[C@H](c1ccc([N+](=O)[O-])cc1)N2 6266245 MQKBUMHQHZUUDA-MDZRGWNJSA-N 365.389 4.946 10 40 FJCB C[C@@H]1CCCN(C2=NC(=O)/C(=C/c3ccc(Cl)c(Cl)c3)S2)C1 6468216 SVKZKQTVIILNOD-DOQDJBIESA-N 355.290 4.696 10 40 FJCB Cc1ccc(S(=O)(=O)Nc2ccc(/N=N/c3ccc(O)cc3)cc2)cc1 13122223 HYRBPEPJMDRFKR-QZQOTICOSA-N 367.430 4.917 10 40 FJCB CC1=Nc2c(c(C)nn2Cc2ccccc2)[C@H](c2ccc(O)c(O)c2)S1 72404976 OSJFSHJYGQSNMA-IBGZPJMESA-N 365.458 4.537 10 40 FJCB CCN(CC)c1ccc(CNC(=O)CCc2cccc3ccccc23)cc1 224378310 MXRXXCSGQMOWDO-UHFFFAOYSA-N 360.501 4.935 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N(c2ccc(Cl)cc2)C1=O 1254959 GGTNABNXVVEGMI-XNTDXEJSSA-N 361.875 4.754 10 40 FJCB Cc1ccc(/N=N/c2ccc3c(S(=O)(=O)O)cccc3c2O)c(C)c1 4804151 GQJZOZKEZADGNL-FMQUCBEESA-N 356.403 4.824 10 40 FJCB CCCCc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1 13881539 XXMWAOVVCGWZMF-PDGQHHTCSA-N 370.543 4.926 10 40 FJCB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3C)SC2=S)cc1 5371133 IPIKOCBPWWGQGI-BOPFTXTBSA-N 353.468 4.603 10 40 FJCB O=[N+]([O-])c1cc(-c2ccc(C(=S)N3CCCCC3)o2)ccc1Cl 4086370 HOKFNNJZHLHHRW-UHFFFAOYSA-N 350.827 4.670 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccc(C)cc3C)=NC2=O)cc1 6870281 GXORDHRRBDBDRX-LDADJPATSA-N 352.459 4.785 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccccc34)SC2=S)cc1 1817255 KBTWFQHDCLVJRN-YVLHZVERSA-N 350.468 4.882 10 40 FJCB CCCC1=NN(c2cccc(C(=O)O)c2)C(=O)/C1=C/C=C/c1ccccc1 36617131 NWZVRVFPXQRDQA-UZHIMRIFSA-N 360.413 4.527 10 40 FJCB O=C1/C(=C\C=C\c2ccccc2)SC(=S)N1CNc1ccccc1 5338289 SIZXCNAEXIUHBK-UVZCHINQSA-N 352.484 4.514 10 40 FJCB Cc1cc(C(=O)C(=O)Nc2ccccc2Cl)c(C)n1-c1ccccc1F 6780995 GFDDBKOWBJGRRJ-UHFFFAOYSA-N 370.811 4.708 10 40 FJCB CCn1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44085607 PPHJZIRBUGVMBA-UHFFFAOYSA-N 371.893 4.954 10 40 FJCB Cc1ccc(-n2c(C)cc(C(=O)C(=O)Nc3ccccc3F)c2C)cc1C 6780949 QTWVQRKAQMLWHP-UHFFFAOYSA-N 364.420 4.671 10 40 FJCB O=[N+]([O-])c1ccc(Cl)c([C@@H]2Nc3c(cccc3[N+](=O)[O-])[C@@H]3C=CC[C@H]32)c1 32121185 RHXVPJFEJHXWIX-PSTGCABASA-N 371.780 4.983 10 40 FJCB Cc1[nH]c2ccccc2c1/C=C1\C(=O)N(c2ccccc2)N=C1C(F)(F)F 408968949 DKNRFMAQHVVMTF-WJDWOHSUSA-N 369.346 4.825 10 40 FJCB Clc1ccc2nc(-c3ccco3)c(Nc3ccc4c(c3)OCO4)n2c1 3906267 JYDMDZQBQFCROH-UHFFFAOYSA-N 353.765 4.720 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 34772764 MKZHARQQNCHRIK-VBQJREDUSA-N 370.792 4.773 10 40 FJCB CCN(CCCNC(=S)Nc1ccc(C)c(C)c1)c1ccc(C)cc1 225732691 FLCPHWJRCGGPBF-UHFFFAOYSA-N 355.551 4.815 10 40 FJCB Cc1ccc(C)c(NCN2C(=O)/C(=C\c3ccccc3F)SC2=S)c1 408721654 KKZAPKRATHEGOQ-LICLKQGHSA-N 372.490 4.713 10 40 FJCB Cc1ccc(C2=C/C(=C\c3ccc(-c4ccc(C(=O)O)cc4)o3)C(=O)O2)cc1 408743214 RNYYEBWOPSIZHM-LDADJPATSA-N 372.376 4.935 10 40 FJCB C[C@@H]1CCCN(c2ccc([C@@H](C)NC(=O)CCc3ccc(F)cc3)cc2)C1 224087903 LUKFSTUPDXFRAP-QZTJIDSGSA-N 368.496 4.872 10 40 FJCB CCOc1ccccc1/C=C1\SC(=S)N(c2cccc(F)c2)C1=O 409328454 VQUWPPJMQQURNQ-YBEGLDIGSA-N 359.447 4.630 10 40 FJCB CN(c1ccccc1)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S 1213326 VDFYIPCLWGJXIY-PTNGSMBKSA-N 360.891 4.593 10 40 FJCB O=C(O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccc(Br)c1)N2 3999512 XPWBIFYCUFEFIV-RLFYNMQTSA-N 370.246 4.974 10 40 FJCB O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1c1cccc(Cl)c1 13228182 KLQWPIMBEKZFQI-ZROIWOOFSA-N 371.874 4.622 10 40 FJCB CCOc1ccc(NC(=S)NCCCN(CC)c2ccc(C)cc2)cc1 225733141 RZEKBEQLWNHSQJ-UHFFFAOYSA-N 371.550 4.597 10 40 FJCB CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(Cc2ccccc2)c1C 408964295 FYBKDQITZGJKMY-HAHDFKILSA-N 369.468 4.959 10 40 FJCB Cc1ccc(NC(=S)NCc2ccccc2)c(C(=O)c2ccccc2)c1 6255696 RHNRYGAFPGDQLA-UHFFFAOYSA-N 360.482 4.713 10 40 FJCB Cc1cc([C@@H]2NN=C(c3ccccc3)S2)c(C)n1-c1ccccc1F 6962544 RZKPISRNXTURCI-HXUWFJFHSA-N 351.450 4.930 10 40 FJCB C[C@@H](Oc1ccc(/C=C2\SC(=S)N(C)C2=O)cc1)c1ccccc1 26608648 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O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(N2CCCCC2)cc1 10113074 NGJHTHMVFHXWNC-MDWZMJQESA-N 354.881 4.660 10 40 FJCB Cc1ccc(NCc2cc(Br)cc(Br)c2O)cc1 72177437 BTCXYBANGDKBPG-UHFFFAOYSA-N 371.072 4.838 10 40 FJCB Cc1ccc(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)c(C)c1 225501505 BHNMTFGEUCDCOJ-QUCCMNQESA-N 364.533 4.960 10 40 FJCB Cc1cccc(NC(=S)N[C@H](C)c2ccc(N3CCC[C@@H](C)C3)cc2)n1 225671635 TYIYHQYSNDOUEL-NVXWUHKLSA-N 368.550 4.674 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 248335844 NWCJXGSSCLGLDC-HLIPFELVSA-N 364.401 4.516 10 40 FJCB O=C1S/C(=C\c2ccc(N3CCCC3)c(F)c2)C(=O)N1c1ccccc1 409102790 UCNXJXJTQJGVSP-AQTBWJFISA-N 368.433 4.667 10 40 FJCB COc1ccc(N2CCO[C@H]2c2ccn(-c3cccc(Cl)c3)c2)cc1 216726462 MICVQPXLZCXBLS-FQEVSTJZSA-N 354.837 4.675 10 40 FJCB COc1ccc(C2=C/C(=C/c3ccc(C(C)C)cc3)C(=O)O2)c(OC)c1 408722300 GSLRUQKVNPKNPE-BOPFTXTBSA-N 350.414 4.809 10 40 FJCB COc1cccc(/C=C2/SC(=S)N(c3cccc(SC)c3)C2=O)c1 409346935 PBPKMQRZSZDLCJ-MHWRWJLKSA-N 373.524 4.823 10 40 FJCB C[C@H](SCc1ccccc1)C(=O)NCc1ccc(N2CCCCC2)cc1 10113084 VWFMXHSBEVJXJP-SFHVURJKSA-N 368.546 4.615 10 40 FJCB O=C(NCc1ccccc1)c1ccc2nc3ccc4ccccc4c3nc2c1 408723138 ZOCPVMGNMHMCMF-UHFFFAOYSA-N 363.420 4.866 10 40 FJCB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)c(C)n1-c1ccc(F)cc1 29269208 ZHAKNPBQUIVGQZ-UHFFFAOYSA-N 352.409 4.631 10 40 FJCB COc1ccc(/N=N\C(C(=O)c2ccccc2)C(=O)c2ccccc2)cc1 104290113 WVAAOZMKRUBFAQ-VHXPQNKSSA-N 358.397 4.913 10 40 FJCB CCc1cccc(CC)c1Nc1nc2c(s1)C(=O)c1ccccc1C2=O 1636431 WBKHHYIIZTWNNQ-UHFFFAOYSA-N 362.454 4.787 10 40 FJCB CCOC(=O)C1=C(C)N(c2ccc(C)c(C)c2)C(=O)/C1=C\c1cccs1 13616139 KZRPDXDRDHBUQG-PDGQHHTCSA-N 367.470 4.632 10 40 FJCB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C)cc1Cl 897384 PMGDAYCHLDIVBH-UHFFFAOYSA-N 371.893 4.780 10 40 FJCB CCN1C(=O)/C(=C/N(C2CCCCC2)C2CCCCC2)SC1=S 1262942 OYMMKEFXEQOMQM-SSZFMOIBSA-N 352.569 4.675 10 40 FJCB Cc1ccc(C(=O)N2C(=O)/C(=C\C=C\c3ccccc3)SC2=S)cc1 13475919 ZKEIFWXXXHEPHS-BDKUJZOCSA-N 365.479 4.593 10 40 FJCB Cc1ccc(/N=N/c2c(N)nn3cc4c(nc23)-c2ccccc2CC4)cc1 16958966 RFRQPMHNDSSXIU-OCOZRVBESA-N 354.417 4.801 10 40 FJCB Cc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)N=C2C(F)(F)F)o1 16348025 YELVULRCWNABRI-JYRVWZFOSA-N 354.715 4.590 10 40 FJCB Cc1ccc(C)n1-c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 58850423 HSIFHPVYOZDUJC-UHFFFAOYSA-N 360.866 4.548 10 40 FJCB CCOc1ccccc1N1C(=O)/C(=C\c2cccc(F)c2)SC1=S 5960319 NTLDYPSYYPCTTI-LFIBNONCSA-N 359.447 4.630 10 40 FJCB CCOc1ccc(CN(C)Cc2c(O)ccc3ccccc23)cc1OC 6602634 VGSJQFKGIGWDDO-UHFFFAOYSA-N 351.446 4.585 10 40 FJCB Cc1ccc(/C=C2/SC(=S)N(c3ccc(N(C)C)cc3)C2=O)s1 7209150 OXJCJJSCIAQVLZ-XNTDXEJSSA-N 360.529 4.528 10 40 FJCB Cc1ccc(N2C(=O)/C(=C\c3cccc([N+](=O)[O-])c3)SC2=S)cc1C 9232278 KVPYREZBHCRRMK-MHWRWJLKSA-N 370.455 4.617 10 40 FJCB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccccc3)C2=O)cc1 1091420 IIBFHRYEKMHKHT-LTGZKZEYSA-N 354.409 4.530 10 40 FJCB O=C(NCCC1=CCCCC1)c1ccc2c3c(onc13)-c1ccccc1C2=O 2406553 XFJPRCVVEMYAAW-UHFFFAOYSA-N 372.424 4.660 10 40 FJCB O=C1[C@H](Cc2cccc(C(F)(F)F)c2)SC(=S)N1c1ccccc1 3346359 IKYRPEPKAAQHAO-AWEZNQCLSA-N 367.417 4.681 10 40 FJCB COc1ccccc1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O 4749366 PFZPSJOIDBJXBL-IGWPVBGESA-N 355.484 4.658 10 40 FJCB Cc1ccc(OCCOC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)cc1 5623073 LYDVNHCUGJVCKB-UHFFFAOYSA-N 367.420 4.777 10 40 FJCB COC(=O)c1ccc([C@@H]2Nc3c(C)cc([N+](=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1 6963578 NWCJXGSSCLGLDC-QKLQHJQFSA-N 364.401 4.516 10 40 FJCB C[C@H](Oc1ccccc1)C(=O)N[C@H](C)c1ccc(N2CCC[C@@H](C)C2)cc1 219489200 LDADFTIKYLGNJU-QRVBRYPASA-N 366.505 4.568 10 40 FJCB Cc1cccc(NC(=S)NCc2ccc(N3CCC[C@@H](C)C3)cc2)c1 225689240 SHBTUCMVNCOEFB-QGZVFWFLSA-N 353.535 4.718 10 40 FJCB Cc1cc(/C=C2\SC(=O)N(C)C2=O)c(C)n1-c1ccc2ccccc2c1 408826101 STQPVUIYOFPADR-UNOMPAQXSA-N 362.454 4.913 10 40 FJCB Cc1cc(-c2csc(N3CCCC3)n2)c(C)n1-c1cccc([N+](=O)[O-])c1 89579975 CLXHOENXWAABAD-UHFFFAOYSA-N 368.462 4.726 10 40 FJCB CCCN1C(=O)S/C(=C\c2ccc3c(c2)[C@@H](C)CC(C)(C)N3C)C1=O 208221228 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Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(-n2c(C)ccc2C)cc1 58850459 NNZDODCCHVYDJL-UHFFFAOYSA-N 374.893 4.857 10 40 FJCB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3)SC2=S)cc1 618254996 MGCHZUSMAIYYLV-GDNBJRDFSA-N 360.891 4.967 10 40 FJCB CN(C)c1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 3634713 ZZYQBKCWLHGYBM-UHFFFAOYSA-N 368.864 4.881 10 40 FJCB COc1ccc(N2CCO[C@H]2c2ccn(-c3ccc(Cl)cc3)c2)cc1 216726572 XZTRKRYWNYEORT-FQEVSTJZSA-N 354.837 4.675 10 40 FJCB CC1CCN(c2ccc([C@H](C)NC(=O)CCc3ccccc3F)cc2)CC1 224834643 JVBKRQWZHOMZHO-SFHVURJKSA-N 368.496 4.872 10 40 FJCB CCCN(CCC)c1ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)cc1 1901636 DYBGMHYITNVQPC-GOSISDBHSA-N 357.523 4.845 10 40 FJCB CCOC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N 12250012 PTGJTVSBYJKADM-UHFFFAOYSA-N 364.426 4.982 10 40 FJCB CCCOc1cc(/C=C2/C(=O)N(c3ccccc3)N=C2C)ccc1OCC 20244035 IEIMFKFCFYCEOM-XMHGGMMESA-N 364.445 4.680 10 40 FJCB CCOc1ccccc1/N=N\c1c(C)nn(C(=S)SC)c1OCC 104241095 SSAVLSHAEKKQHV-ZCXUNETKSA-N 364.496 4.900 10 40 FJCB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(/N=N\c3ccccc3)cc2)[C@H]2C=C[C@H]1C2 108205499 WJKROIRBQRZHQI-HQGCUHOOSA-N 361.401 4.563 10 40 FJCB Cn1cccc1/C=C1\SC(=S)N(c2ccc(Cl)c(Cl)c2)C1=O 13769923 GAKHBAFENYIION-JYRVWZFOSA-N 369.298 4.738 10 40 FJCB COc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)O)cc3[C@H]3C=CC[C@H]32)cc1 32121220 DAALNLHYXJTXDP-DAYGRLMNSA-N 355.821 4.873 10 40 FJCB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2c2cccc(C)c2)cc1 408760697 DHXJBGVGWWWRGK-XSFVSMFZSA-N 374.465 4.900 10 40 FJCB Cc1cc(C(=O)CSc2nccs2)c(C)n1Cc1ccc(F)cc1 58366620 MVFZMSQNKRPQQU-UHFFFAOYSA-N 360.479 4.724 10 40 FJCB CCCC1=NN(c2ccccc2)C(=O)/C1=C/c1cc(Cl)c(O)c(OC)c1 100321939 ZGQLWGLSYOHELM-XNTDXEJSSA-N 370.836 4.641 10 40 FJCB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccccc3)C2=O)c1 408760781 FWTFCZWZOKYBAJ-CJLVFECKSA-N 368.436 4.838 10 40 FJCB Cc1ccc(C2=NN(C(=O)c3ccccc3)[C@@H](c3ccccc3O)C2)cc1 8313886 TWZCWWSAHVQLBQ-OAQYLSRUSA-N 356.425 4.692 10 40 FJCB COc1cccc(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1 9188701 LFAFAWSVTUUJHQ-KAECEXQPSA-N 355.484 4.658 10 40 FJCB CCOc1ccc(/C=C2\SC(Nc3ccccc3)=NC2=O)cc1OCC 34689907 SAFFNFWGMDXPSN-AQTBWJFISA-N 368.458 4.566 10 40 FJCB CCN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)C1=O 409074756 RHIQCRQKAQWWMJ-WOJGMQOQSA-N 354.475 4.767 10 40 FJCB O=C1/C(=C\C2=Cc3ccccc3OC2)SC(=S)N1c1cccc(F)c1 9420466 CDRQQQFFCDQVCE-RQZCQDPDSA-N 369.442 4.550 10 40 FJCB CCCn1ccnc1SCC(=O)c1cc(C)n(-c2ccccc2F)c1C 32731743 SIAXUQFAGWQMIN-UHFFFAOYSA-N 371.481 4.815 10 40 FJCB CC[C@@H]1CCCCN1Cc1c(O)cc(C)c2c1oc(=O)c1ccccc12 629663 UKJAVIXLTRJIIJ-OAHLLOKOSA-N 351.446 4.725 10 40 FJCB Cc1ccccc1NC1=NC(=O)/C(=C\c2cccc(Br)c2)S1 11640028 KIDUAKKSCLXHQP-XNTDXEJSSA-N 373.275 4.840 10 40 FJCB CCOc1ccc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc1 35647952 CGJUSQZHCCZBOT-QGOAFFKASA-N 352.459 4.730 10 40 FJCB Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72216851 XBLYJWNTULQPNT-GOSISDBHSA-N 355.482 4.951 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@H]32)cc1 4980121 GZYRFVLGNMMIEK-AHIWAGSCSA-N 370.792 4.773 10 40 FJCB O=S(=O)(O)c1ccc2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c1 102312474 YHPJLZIPELSPBU-VHEBQXMUSA-N 362.794 4.861 10 40 FJCB CCc1cccc2c1N[C@@H](c1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 6740937 FAXRCUZTAIRCDA-WJPUGNRLSA-N 350.418 4.992 10 40 FJCB COc1ccccc1/C=C1/SC(=S)N([C@H](C)c2ccccc2)C1=O 12032506 PFZPSJOIDBJXBL-LVLBFHFTSA-N 355.484 4.658 10 40 FJCB Cc1cc(C(=O)N(Cc2ccco2)C2CC2)c(C)n1-c1ccccc1F 58378488 QUFNFWSJRGNDPN-UHFFFAOYSA-N 352.409 4.631 10 40 FJCB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCCCC3)cc2OC)C1=O 409237456 UPGSOLRFCDOLFE-CRRKTRLDSA-N 374.506 4.520 10 40 FJCB Cc1cc(=O)oc2c(CN(CC(C)C)CC(C)C)c(O)c(Cl)cc12 19791723 WWUOHTOFHDSHSN-UHFFFAOYSA-N 351.874 4.574 10 40 FJCB Oc1cc2c(cc1[C@@H](c1ccc(Cl)cc1Cl)N1CCCC1)OCO2 20732154 RBUDZFBOOYUMQV-GOSISDBHSA-N 366.244 4.613 10 40 FJCB Cc1cc(C)cc(N2C(=O)N=C(O)/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c1 23411409 CJAMDTCIPYUWSR-WQRHYEAKSA-N 373.412 4.600 10 40 FJCB C[C@@H](Oc1ccc(/C=C2/SC(=S)N(C)C2=O)cc1)c1ccccc1 3902994 XPGYUZFSXBBPSQ-LVLBFHFTSA-N 355.484 4.658 10 40 FJCB COc1ccc(NCc2ccc(N3CCCC[C@@H]3C)c([N+](=O)[O-])c2)cc1 226241492 CCXAKIZZHHWNER-HNNXBMFYSA-N 355.438 4.594 10 40 FJCB CC1=NN(c2ccccc2)C(=S)/C1=C\Nc1nc2ccccc2s1 16161058 DINDCVLGNCIEKT-KAMYIIQDSA-N 350.472 4.816 10 40 FJCB COC(=O)c1sc2nc(-c3ccc(Cl)cc3)c3c(c2c1N)CCCC3 1384130 UPDPTMCAWFTPJT-UHFFFAOYSA-N 372.877 4.864 10 40 FJCB O=C1c2ccccc2C(=O)[C@@]2(C(c3ccccc3)c3ccccc3)N=NC[C@H]12 5699002 PHAJJSDXCOLSSX-HYBUGGRVSA-N 366.420 4.719 10 40 FJCB O=C1[C@@H](Cc2ccc(Cl)cc2)SC(=S)N1CCC1CCCC1 409162731 ZFDMOQGJYYOPLW-OAHLLOKOSA-N 353.940 4.692 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C\c3ccc(C)cc3)SC2=S)cc1 4719550 BXPVTCLLCJSCMA-SFQUDFHCSA-N 355.484 4.800 10 40 FJCB O=C(O)c1ccc([C@@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1 6221878 GZYRFVLGNMMIEK-IGCXYCKISA-N 370.792 4.773 10 40 FJCB COc1ccc(/C=C2\C(=O)N(c3cc(Cl)cc(Cl)c3)N=C2C)cc1 12412851 JMLYUQMRYHLKOV-IDUWFGFVSA-N 361.228 4.808 10 40 FJCB CCCCc1ccc(NC2=NC(=O)/C(=C\c3ccc(O)cc3)S2)cc1 109597695 FRUFXBNYLDUSGS-QGOAFFKASA-N 352.459 4.817 10 40 FJCB CCN1C(=O)S/C(=C\c2cc3c(cc2C)N(C)C(C)(C)C[C@@H]3C)C1=O 208227724 AKZJPEQLIYJULL-NWRYFCBHSA-N 358.507 4.773 10 40 FJCB COc1ccc(-n2c(CCC(=O)O)ccc2-c2ccc(F)cc2)cc1Cl 408948695 PUTSHSHLBINPKF-UHFFFAOYSA-N 373.811 4.963 10 40 FJCB CCOc1ccc(N2C(=O)/C(=C/c3cccc(C)c3)SC2=S)cc1 9188715 VYNZUZCHPGYJSD-ATVHPVEESA-N 355.484 4.800 10 40 FJCB CC[C@@H](C)Oc1ccc(/C=C2\SC(=S)N(CC)C2=O)cc1Cl 409378707 QPCMDVSCKWSSLB-AHEVQNHNSA-N 355.912 4.738 10 40 FJCB O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCc1ccccc1 2374145 JHJKVPCMMGOZJW-VBKFSLOCSA-N 359.903 4.784 10 40 FJCB COc1ccc(/N=N\c2sc(=N)[nH]c2-c2cccc([N+](=O)[O-])c2)cc1 16956131 IFBVSSBJUXEUQA-VXPUYCOJSA-N 355.379 4.555 10 40 FJCB Cc1ccc(C2=N/C(=C/c3ccccc3F)C(=O)N2c2ccccc2)cc1 408754526 NTYKAQFASNIGGJ-RCCKNPSSSA-N 356.400 4.969 10 40 FJCB CCCCOc1ccc(/C=C2/SC(Nc3ccccc3)=NC2=O)cc1 3421567 IASUXEQABWMYRT-NBVRZTHBSA-N 352.459 4.948 10 40 FJCB Cc1ccc(N/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1 4109254 IZFFUIWRMXETQB-IQGJIOQQSA-N 354.500 4.870 10 40 FJCB O=C(O)c1ccc([C@H]2Nc3c(Cl)ccc([N+](=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1 4980122 GZYRFVLGNMMIEK-GDZNZVCISA-N 370.792 4.773 10 40 FJCB COc1ccc(-n2c(C)cc([C@@H]3NN=C(c4ccccc4)S3)c2C)cc1 6961853 RYZRSAWIWSAJOF-OAQYLSRUSA-N 363.486 4.800 10 40 FJCB Cc1ccc(CN2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)cc1 409052752 MAITUUNBKGBVHA-WCTLISOUSA-N 351.496 4.953 10 40 FJCB CCc1ccc([C@@H]2Nc3c(OC)cc([N+](=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1 409171281 ZZUQVBZLDCGSJG-HLIPFELVSA-N 350.418 4.992 10 40 FJCB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)[C@H]1CCCC[C@H]1C(=O)O 4155633 CNNAEZHUZYDGLU-YDXVVIRGSA-N 351.406 4.932 10 40 FJCB O=C(O)c1ccccc1[C@@H]1Nc2c(Cl)ccc([N+](=O)[O-])c2[C@@H]2C=CC[C@H]21 409160699 YXWABZURTSKWJE-CZIZLABSSA-N 370.792 4.773 10 40 FJCB COc1ccc(CNc2ccc3c(c2)ncn3-c2ccccc2OC)cc1 3899654 OKEQVACWLNFZTP-UHFFFAOYSA-N 359.429 4.655 10 40 FJCB aggregator CCCc1cc(=O)oc2c(C)c(O)c(CNc3ccc(OCC)cc3)cc12 9423809 WOLISKHLUALMKY-UHFFFAOYSA-N 367.445 4.770 10 40 FJCB Cc1cc([N+](=O)[O-])cc2c1N[C@H](c1cccc([N+](=O)[O-])c1)[C@H]1CC=C[C@@H]21 20705017 KKSNAODMDPWUAF-JTDSTZFVSA-N 351.362 4.638 10 40 FJCB C[C@@H](NC(=S)Nc1ccc(F)c(F)c1)c1ccc(N2CCCC2)cc1 225695468 DZXNLPVIKGPPCL-CYBMUJFWSA-N 361.461 4.613 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=O)Cc3ccc(Cl)cc3F)cc2)C1 224825245 YFRDVSHHPBSQGX-HNNXBMFYSA-N 374.887 4.574 10 40 FJCB COc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)O)[C@H]1CC=C[C@@H]21 409163773 XQRVQMVKPHOHRY-SOZUMNATSA-N 355.821 4.873 10 40 FJCB CC[C@@H]1CCCCN1Cc1cc2c(oc(=O)c3ccccc32)c(C)c1O 5047124 JNBMDXZIVGEYAQ-MRXNPFEDSA-N 351.446 4.725 10 40 FJCB Cc1c(C(=O)N(C)Cc2ccc(N(C)C)cc2)oc2c(Cl)cccc12 18150316 GVCGKTIRNSNUBF-UHFFFAOYSA-N 356.853 4.733 10 40 FJCB C[C@H]1CCCN(c2ccc(CNC(=S)Nc3cccc(F)c3)cc2)C1 225690654 MVMWQQGDZDJUDL-HNNXBMFYSA-N 357.498 4.549 10 40 FJCB CN(C)c1ccc(/C=C2/SC(=S)N(c3cccc(Cl)c3)C2=O)cc1 1235952 RZYOMBYXRQPUFJ-MHWRWJLKSA-N 374.918 4.812 10 40 FJCB CCc1ccc(N2C(=O)/C(=C\c3ccc([N+](=O)[O-])cc3)SC2=S)cc1 33939377 CSNOXLJHHHGLQK-LFIBNONCSA-N 370.455 4.563 10 40 FJCB Cc1ccc(C)c(CC(=O)N[C@@H](C)c2ccc(N3CCC[C@H](C)C3)cc2)c1 260577843 NKZXSDJFVYRYDV-ICSRJNTNSA-N 364.533 4.960 10 40 FJCB O=C1NC(=O)/C(=C\c2cc(/N=N/c3ccccc3Cl)ccc2O)S1 408725965 RCTREFFNJXRRSU-RKXUONLDSA-N 359.794 4.785 10 40 FJCB CC(C)(C)c1ccc(C(=O)NCc2ccc(N3CCCCC3)cc2)cc1 13647967 RGOYQZMHKGLVPE-UHFFFAOYSA-N 350.506 4.904 10 40 FJCB Cc1oc2c(CN3CCCC[C@H]3C)c(O)ccc2c(=O)c1-c1ccccc1 20437978 SUNBMLHSCFCBOB-OAHLLOKOSA-N 363.457 4.848 10 40 FJCB biogenic Cc1ccc(O)c(CN(CCCn2ccnc2)Cc2ccccc2Cl)c1 36740303 XLXKJUKXTFHLCY-UHFFFAOYSA-N 369.896 4.643 10 40 FJCB CCN(CC)c1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1 222560663 SQSBFKFFEZFVAZ-BEVDRBHNSA-N 366.534 4.517 10 40 FJCB O=C1/C(=C\Nc2ccccc2Cl)SC(=S)N1CCc1ccccc1 4545604 NIEKPQIFZYDFDR-FOWTUZBSSA-N 374.918 4.696 10 40 FJCB C[C@H](NCc1ccc(N2CCCCC2)cc1)c1ccc(-n2ccnc2)cc1 8345267 SGNKRLMXTUFIHW-IBGZPJMESA-N 360.505 4.713 10 40 FJCB COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(C)c4ccccc43)c2C)cc1 38205116 WKPFHABHUNGDMJ-KGENOOAVSA-N 358.441 4.620 10 40 FJCB Cc1ccc(O)c(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C)o2)c1 10215293 OCRZAFVNLBMSJS-PGRDOPGGSA-N 360.413 4.844 10 40 FJCB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCCC2)cc1 225693985 RBVXELFLXJNXLN-CQSZACIVSA-N 359.926 4.988 10 40 FJCB