smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COc1cc([C@H]2Oc3c(OC)cc(CCCOS(=O)(=O)O)cc3[C@@H]2CO)ccc1O 15169042 KXNUUGLBJAAEGW-HNAYVOBHSA-N 440.470 2.371 0 1 IEAF biogenic COc1ccc(CN2CCN(C(=O)Cn3cc4c(n3)CCCC4)CC2)c(OC)c1OC 20415870 RTPSXCSHJLYVEI-UHFFFAOYSA-N 428.533 2.132 0 1 IEAF COc1cccc(N2C(=O)N[C@H]3CCN(S(=O)(=O)c4ccc(Cl)cc4)[C@@H]3C2=O)c1 25410379 FJEFPVWRMOTGGY-IRXDYDNUSA-N 435.889 2.237 0 1 IEAF biogenic O=C(CC1CC1)N1[C@H](CO)[C@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@H]21 95893681 DOEUZOXRYYTSJB-SJBKTWHCSA-N 430.501 2.490 0 1 IEAF O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@H]3C1 104762645 YIWJEBPTHXRHQF-TZKOLBGNSA-N 437.540 2.014 0 1 IEAF O=C(Cc1nc(N2CCOCC2)cc(=O)[nH]1)Nc1cccc(OC(F)(F)C(F)F)c1 115066565 VKNAORZFYXEFPO-UHFFFAOYSA-N 430.358 2.024 0 1 IEAF C[C@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)C1 226428466 GNBLTIUNWWOICW-AOMKIAJQSA-N 432.590 2.241 0 1 IEAF COc1cc2c(cc1OC)[C@](C)(c1ccc(S(=O)(=O)NCC(=O)O)cc1)N(C)[C@@H](C)C2 962620972 AOIKWSZYFOTRCY-FPTDNZKUSA-N 448.541 2.207 0 1 IEAF C[C@H]1CCCCN1c1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)nn1 1772628735 QPYCXXGZLDCAIW-INIZCTEOSA-N 445.545 2.095 0 1 IEAF COC(=O)C1=C(CN2CCC(O)CC2)NC(c2nccs2)=N[C@@]1(C)c1ccc(F)cc1 1857551613 DPVZHPVJZGTLEC-QFIPXVFZSA-N 444.532 2.431 0 1 IEAF COc1cc(C[C@H](CO)[C@H](C[C@@H](CCC[C@@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356545906 RUDBRFGTOROPKF-RIYQWJRFSA-N 426.506 2.356 0 1 IEAF CN1[C@H](C(=O)Nc2nccs2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]21 95881293 NFSFXFBTRDGYDS-SAKMYQHLSA-N 440.500 2.343 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]1N2Cc1cccnc1 95881452 VJGVMCSFSOLAAN-LGKPFJOYSA-N 449.482 2.386 0 1 IEAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 95900918 LGHYMYOTKHNHQJ-VARILPKDSA-N 437.496 2.245 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1cccc(OCc2nonc2C(N)=O)c1 100049465 NMRLUNDIWQWPJV-AWZALFRUSA-N 442.428 2.169 0 1 IEAF CCN(CC)C(=O)c1c(NC(C)C)c2cccnc2n2c(CN3CCN(C)CC3)nnc12 299827055 OITPCNHFXLVTTJ-UHFFFAOYSA-N 438.580 2.327 0 1 IEAF C[C@H](CO)Nc1cc(NS(C)(=O)=O)nc(SCCOc2cccc(F)c2F)n1 299864371 MICADBIDLVCIHU-SNVBAGLBSA-N 434.490 2.090 0 1 IEAF OC[C@H]1C[C@@H](Nc2[nH]c(=NC3CCC3)ccc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O 473124015 WCGCTLDYJPQJBJ-KRVNLHHGSA-N 426.542 2.259 0 1 IEAF Nc1ncc(-c2cc(N3C[C@H]4COC[C@H]4C3)nc(N3CC4CC3C4)n2)cc1OC(F)F 653667545 FKCBIQHNYKMEAU-LCBVDAKKSA-N 430.459 2.403 0 1 IEAF c1ccc(C(c2ccccc2)c2nnnn2CCN2CCN(c3ncccn3)CC2)cc1 1857542785 SFRTVYWULBUPNB-UHFFFAOYSA-N 426.528 2.466 0 1 IEAF COC(=O)[C@H]1[C@@H](OS(=O)(=O)O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 13099321 XBZJQPNSUUABAM-FJDMERLMSA-N 434.514 2.474 0 1 IEAF Cc1cccc2[nH]c(CN(C)C(=O)c3ccc4c(c3)CN(C)C(=O)[C@H](CC(=O)O)N4)nc12 26940556 RBDLXBRHTIJMGZ-SFHVURJKSA-N 435.484 2.371 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 95880859 DLQLDMLKKPQOHY-HAMXWHDFSA-N 444.535 2.381 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4cccc(C5(O)COC5)n4)nc3n2)C1)N1CCCC1 221409336 XOLPLYLBMYGJNK-MRXNPFEDSA-N 448.527 2.077 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCCO[C@H]2Cn2cc(-c3ccc(F)cn3)nn2)c1 1911573996 FHNOEJCFWIIASK-NRFANRHFSA-N 448.462 2.257 0 1 IEAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccc(Cl)cc1 2356286107 RAKWTAFPSLOAQY-KVPLUYHFSA-N 442.025 2.440 0 1 IEAF CS(=O)(=O)c1ccc(CNC[C@@H]2Cn3c(-c4ccc5c(c4)OCO5)cnc3CO2)cc1 2356406045 LJMRIHPTYJXDPE-QGZVFWFLSA-N 441.509 2.371 0 1 IEAF COC(=O)C=C(C)C1=N[C@H]2C[C@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 2356508543 ZDFFECACYJADGQ-GFFDQWDTSA-N 426.469 2.209 0 1 IEAF COc1ccc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@@H](O)[C@H](O)C2)cc1 2356620121 FZJQJGDFPJJKAO-IAGOWNOFSA-N 440.418 2.420 0 1 IEAF COC(=O)[C@H]1N[C@@H](C(=O)OC)C2=C1[C@]1(CN(C)c3ccccc31)c1[nH]c3ccccc3c12 2356807951 YHTGEPSSZSALLA-TYBLODHISA-N 429.476 2.357 0 1 IEAF C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@H]2[C@@H]1O 2356835971 KVXNTVMNDBJOGO-QAGXQJJHSA-N 426.579 2.273 0 1 IEAF CCCN(C)[C@@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 95601720 QQFSTJQIEWEGPW-QGZVFWFLSA-N 431.484 2.201 0 3 IEAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)OCc1ccccc1)C(N)=O 5542126 BGVHOYOBTXOOIH-IRXDYDNUSA-N 435.521 2.029 0 1 IEAF COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@@H]2CO)cc2c1OCO2 13461618 IOLQZNZXIUEYRV-KGLIPLIRSA-N 430.409 2.075 0 1 IEAF biogenic COc1cnc2c(c1)CN(C(=O)[C@@]13CCC[C@@H]1C[C@@H](N[C@H]1CCOC[C@@H]1OC)C3)CC2 95593999 PKLPRMWVWCKOGU-OVRWTRITSA-N 429.561 2.317 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)C 95856150 NQYPTHXHXGOLGT-QYWGDWMGSA-N 426.517 2.116 0 1 IEAF CCCN1[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]1[C@@H](C(=O)NCC)[C@@H]2CO 95866860 QBYPFYMPFGFXNP-YJMBLLCNSA-N 425.529 2.034 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@@H]21 95892054 UITKDQSVNNFDEJ-CUWPLCDZSA-N 441.528 2.475 0 1 IEAF CCCCCC(=O)N1CCN(C(=O)CNC(=O)c2cc(OC)c3ccccc3n2)CC1 142661197 IOPVWMXAOHLRBD-UHFFFAOYSA-N 426.517 2.224 0 1 IEAF COCCNS(=O)(=O)c1ccc(NC(=O)c2cc(N(C)C3CCCCC3)ncn2)cc1 144711039 HWJJFNFLAHEPFE-UHFFFAOYSA-N 447.561 2.423 0 1 IEAF Cc1cccc([C@H](Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)C2CC2)n1 205019962 HKADUNZSIGHJLP-VHEJECIDSA-N 445.487 2.146 0 1 IEAF COc1ccc(-c2noc([C@@H]3C[S@](=O)CCN3C(=O)COc3ccccc3)n2)cc1 299860090 ZNEDVKGUMPVGJN-YVGXBJCXSA-N 427.482 2.456 0 1 IEAF O=S(=O)(NC[C@H]1CCCO1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586946756 OVRUSVNRUXNPJG-LLVKDONJSA-N 427.408 2.496 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 587751372 YCAPRVKEWUWOQR-YPUWOAEVSA-N 438.297 2.456 0 1 IEAF CC(C)=C[C@@H]1[C@H](C(=O)OC[C@@H]2COCCOCCOCCOCCOCCO2)C1(C)C 1772570210 CRKWURLHDLYSHE-PWRODBHTSA-N 444.565 2.250 0 1 IEAF Cc1c(C(=O)N2CC(c3ccnc(C(F)(F)F)c3)C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857579531 AZVZEQOWCQRTAU-UHFFFAOYSA-N 443.389 2.170 0 1 IEAF Cc1cc(N2C[C@H](c3nnc(S)n3-c3ccccc3)CC2=O)cc(C)c1S(N)(=O)=O 1857602891 UBNGBOPIZHLQTJ-CQSZACIVSA-N 443.554 2.341 0 1 IEAF CCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC 36386524 WQPIBHGXOKKEPM-AYMMHLMVSA-N 432.542 2.491 0 3 IEAF NCCc1c[nH]c2ccc(OCCNC(=O)COc3ccc4[nH]cc(CCN)c4c3)cc12 13604976 RMBLRCQXPCPHMK-UHFFFAOYSA-N 435.528 2.226 0 1 IEAF O=C(O)CC[C@@H](NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(=O)O 27993313 CWVPWDCSUUAZSZ-QGZVFWFLSA-N 441.465 2.263 0 1 IEAF O=C(NCCN1CCCC1)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=O)[nH]c2c1 28642098 VJRGAGPCQUZOLU-UHFFFAOYSA-N 426.904 2.217 0 1 IEAF in-vivo CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O 95666850 SPTZYPWXDJFIRG-IFMALSPDSA-N 428.554 2.373 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1)c1ccccc1 95881366 ICPZXKPBWGJWTF-WWQQZRQXSA-N 435.524 2.016 0 1 IEAF COc1cc2c(cc1OC)[C@@H](NC(=O)CN1CCN(Cc3ccccc3)CC1)c1cn[nH]c1-2 103300458 GGYBCFBAXKVSKD-XMMPIXPASA-N 447.539 2.431 0 1 IEAF COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)NCc4ccccc4)CC3)c2c1 299824848 IBIFETCWULXQEK-UHFFFAOYSA-N 435.528 2.369 0 1 IEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CCC(Cn1ccc(=N)nc1O)=C2CCC1=CCOC1=O 653697854 VVOIQAUWKAZOMV-PLWWPAAYSA-N 443.544 2.198 0 1 IEAF Cc1ncsc1CCN1c2nc(N3C[C@@H]4C[C@H]3CO4)cc(=O)n2C[C@]1(C)C(F)(F)F 1772613043 SGPHRXQSXHCTAA-ZJNRKIDTSA-N 441.479 2.369 0 1 IEAF Cc1cc(C)n2nc(C(=O)N3CCC[C@@H](CNS(=O)(=O)c4cccs4)C3)cc2n1 12051466 PZBXQEKALWIWBJ-HNNXBMFYSA-N 433.559 2.238 0 3 IEAF COCCCNc1n[nH]c2c1CCCc1cc(N3C[C@H](CNC(C)=O)OC3=O)ccc1-2 11524590 IFPKYTYMMYKRNG-KRWDZBQOSA-N 427.505 2.475 0 1 IEAF COc1ccc2c(c1)CCN1C(=O)[C@@H]3CCC[C@H]([C@@H]21)N3S(=O)(=O)Nc1ccc(F)nc1 34799832 RSZNDMJETBKFRP-WSTZPKSXSA-N 446.504 2.249 0 1 IEAF CN1CCN(c2cnc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)cn2)CC1 40937598 TZNOCQCHSXXNOR-ODLFYWEKSA-N 430.468 2.211 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H](C(=O)N4CCNCC4)C3)cs2)c1 82081392 YIVSBUALPLKIOR-HNNXBMFYSA-N 444.557 2.111 0 1 IEAF Cc1nc(-n2cnn(Cc3cc(F)cc(F)c3)c2=O)sc1C(=O)NCc1cccnc1 113635957 CHEATIQXHDZDGV-UHFFFAOYSA-N 442.451 2.450 0 1 IEAF O=C1CC[C@H](N2C(=O)c3ccc(CNC(=O)Nc4cccc(Cl)c4)cc3C2=O)C(=O)N1 116111136 LRGPIURPNNEALP-INIZCTEOSA-N 440.843 2.063 0 1 IEAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(COCC(N)=O)no1 118699811 BQSQGWZLZNNIOD-UHFFFAOYSA-N 444.444 2.283 0 1 IEAF O=C(O)Cn1nnc(-c2cc(N3CCC4(CCc5c(Cl)cccc5O4)CC3)no2)n1 143368371 XFXBWEMTHDVUIY-UHFFFAOYSA-N 430.852 2.430 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2[C@H]2C[C@H]21)c1ccccc1)c1ccccc1 195141874 GFWCASGSHHDONA-ZXYIWLIBSA-N 441.487 2.242 0 1 IEAF Cn1nc(-c2nc3c(Br)ccnc3[nH]2)c(I)c1C(=O)O 587180764 ZWTSDNRUKHNKFD-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF CC(C)Nc1cc(-n2ncc3cc(Cl)cnc32)ncc1C(=O)NCCN1CCOCC1 1772631275 WRRIYXFCAYHKIM-UHFFFAOYSA-N 443.939 2.351 0 1 IEAF C/C=C/C=C/C(=O)OCC(=O)NCc1cc(OC)c(O)cc1I 1857759217 CVNITEWPDCWLEW-VNKDHWASSA-N 431.226 2.297 0 1 IEAF COC(=O)COCC(=O)N1Cc2[nH]cnc2C[C@@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 2356288261 ZFLGVGHPDAQYGG-OAHLLOKOSA-N 449.826 2.068 0 1 IEAF C/C=C/[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 26399921 FMQLAOUMABGLDL-SHCNBLLESA-N 428.533 2.385 0 1 IEAF COc1ccccc1N1CCN(C[C@@H](O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1 29408719 ZEELOWGOZGVPIS-IBGZPJMESA-N 429.561 2.278 0 1 IEAF NS(=O)(=O)c1cc(S(=O)(=O)O)c(NCc2ccco2)cc1NCc1ccccc1 40506119 VFMIIIUQUGGCRO-UHFFFAOYSA-N 437.499 2.398 0 1 IEAF CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C\N3CCCCCC3)[C@@H]2SC1(C)C 60392776 NPGNOVNWUSPMDP-UBFDSENQSA-N 439.578 2.412 0 1 IEAF CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)cc1 474607004 IHBUAAQQJUSJBO-FQEVSTJZSA-N 447.557 2.029 0 1 IEAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587221129 VFRVDYGTYOKNAS-DTWKUNHWSA-N 436.774 2.059 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](c3ccccc3F)C2)cn1 1772616282 KOGZNDOOPKHIRJ-LJQANCHMSA-N 432.521 2.139 0 1 IEAF CS(=O)(=O)/C=C/CNC(=O)COc1ccc(Br)cc1Br 1857606549 QPEHGDBDELPQIK-QHHAFSJGSA-N 427.114 2.265 0 1 IEAF CS[C@@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C(=O)O)cc2)(SC)C(=O)N1C 2356459790 YVJJNCGPFXDJFU-XLIONFOSSA-N 438.571 2.318 0 1 IEAF CS(=O)(=O)c1ccc(OCC2(CNCc3ccc(F)c(F)c3)C[C@H](O)[C@@H](O)C2)cc1 2356738673 ZTYXOYCGBZCSRS-PMACEKPBSA-N 441.496 2.039 0 1 IEAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547841 VEDFFGQWIFFECN-UKAVVXHISA-N 430.549 2.076 0 1 IEAF CC(=O)N1CCC[C@@H]1CNC(=S)N1Cc2ccccc2C[C@H]1CNC(=O)NC(C)(C)C 13489672 XTHRYOXBWGIYIB-UXHICEINSA-N 445.633 2.396 0 1 IEAF O=C(NCCN1CCCC1)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=O)[nH]c2c1 28642096 DTYWDKQXJICAEB-UHFFFAOYSA-N 426.904 2.217 0 1 IEAF O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(Cc3ccccc3F)c(=O)[nH]c2c1 28642543 VGIHNPBWXZFXJF-UHFFFAOYSA-N 438.503 2.483 0 1 IEAF CCCN(CCC)c1nc(NCCO)nc2c(N(CCC)CCC)nc(NCCO)nc12 28710631 FUWUIONJBGWROK-UHFFFAOYSA-N 448.616 2.481 0 1 IEAF COc1ccc(CCNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)cc1OC 43554117 SQERSHJUKJUYMS-TYEALLSLSA-N 449.588 2.299 0 1 IEAF biogenic Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@H]2CCNc3ccccc32)cc1 73163087 VNTWPQGDVBJBNP-VQTJNVASSA-N 440.525 2.019 0 1 IEAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)CC 95879839 ZQMXAJVKWPPDFG-QPAOKJHLSA-N 441.503 2.081 0 1 IEAF O=C(NCc1ccccc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccccc1F 95881233 VJURSMOFKWISFI-UIYANEJRSA-N 447.510 2.468 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 169290337 UJISMJDOFFHTEW-MUJBESKKSA-N 431.496 2.397 0 1 IEAF O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3cccc(Cl)c3)nc2)C1=O 208169015 GYUFTGZUELPHSK-UHFFFAOYSA-N 431.832 2.273 0 1 IEAF COc1ccc2cccc(N3CCN(CCCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 299828843 XIVOWWIPEMPSCW-UHFFFAOYSA-N 437.544 2.096 0 1 IEAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(S(=O)(=O)O)cc4[nH]3)c2)o1 586923881 ZXZKUYXQFWTIKB-UHFFFAOYSA-N 448.482 2.396 0 1 IEAF N[C@@H](Cc1ccc(I)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587185473 KAKOZQYPHWDQOX-NSHDSACASA-N 442.282 2.057 0 1 IEAF CCOC(=O)[C@]1(CC(=O)c2c(C)nn(CC)c2C)N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963548506 FXQSATZQPRVXIB-QMHKHESXSA-N 443.500 2.164 0 1 IEAF CCOC(=O)c1cccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 6577093 XTUFZXUTTXCFRZ-KRWDZBQOSA-N 448.545 2.253 0 3 IEAF Cn1cc(CCNC(=O)C[C@@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)cn1 11874822 WVWKTXARJBFMAM-HSZRJFAPSA-N 447.539 2.262 0 3 IEAF CN(Cc1ccccc1)C(=O)c1[nH]cnc1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1 36388147 YEROIQBEEABMHH-UHFFFAOYSA-N 427.505 2.375 0 3 IEAF O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 95866888 KHVUMFIUAWWNMC-WFXMLNOXSA-N 429.314 2.189 0 3 IEAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O 13755595 QLIBFARZELQMJF-OALUTQOASA-N 427.501 2.041 0 1 IEAF CN(C(=O)NC1CCN(c2ccc(Cl)cc2)CC1)C1CCN(S(C)(=O)=O)CC1 29126533 PDEKBIVGJUKSPI-UHFFFAOYSA-N 428.986 2.374 0 1 IEAF COc1cccc(N2C(=O)N[C@H]3CCN(S(=O)(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 36364008 FJEFPVWRMOTGGY-DLBZAZTESA-N 435.889 2.237 0 1 IEAF biogenic Cn1c(=O)c2c(cc(N3CCC[C@@](C)(N)C3)n2Cc2cc(F)ccc2Cl)n(C)c1=O 64560602 FNVQOXWCMOTPOQ-OAQYLSRUSA-N 433.915 2.197 0 1 IEAF CC(=O)NCSC[C@@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 82084142 CKLCKRDNULHJLV-OAHLLOKOSA-N 448.526 2.238 0 1 IEAF CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C(C)C 82235549 MNVJYFTXEULZKB-RTWAWAEBSA-N 444.576 2.113 0 1 IEAF CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CO)s2)[C@@H]2CCCCN2)cc1 84757970 FYJFOVBOYOJLHL-FUHWJXTLSA-N 430.530 2.085 0 1 IEAF O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95866410 MSSUKJNHUJFMOW-PLXFJCCSSA-N 427.504 2.489 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95880588 ZXCGETRNQDLAIC-VXSCBNMQSA-N 425.504 2.116 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 95908193 DNUVWNCDCIVCLB-FPDPHYFHSA-N 444.459 2.013 0 1 IEAF CCOC(=O)c1nnn(-c2cc3oc4ccccc4c3cc2OC)c1[C@H](O)[C@@H](O)[C@H](C)O 103256619 SZVQDPNPYDVFCV-MWECQKEOSA-N 441.440 2.127 0 1 IEAF CCOC(=O)c1cc(Br)c2nc(-c3cc(S(=O)(=O)NC)cn3C)[nH]c2c1 586947594 VFMHASWHTCKCOY-UHFFFAOYSA-N 441.307 2.416 0 1 IEAF COc1cc2c(cc1OC[C@H](O)CN1CCN(c3ccccc3)CC1)C(=O)[C@@H](C)OC2 1857535815 XASXLXISYBWMCD-YLJYHZDGSA-N 426.513 2.359 0 1 IEAF COC(=O)C1=C(CN2CCC(O)CC2)NC(c2nccs2)=N[C@]1(C)c1ccc(F)cc1 1857551612 DPVZHPVJZGTLEC-JOCHJYFZSA-N 444.532 2.431 0 1 IEAF CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)c1 6577092 XTUFZXUTTXCFRZ-QGZVFWFLSA-N 448.545 2.253 0 3 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@@H]1C(=O)NC1CCCCC1 12467211 MTXGZVVJWPJPOQ-AIBHGQCCSA-N 443.588 2.443 0 1 IEAF O=C(NCc1ccc(C(=O)N2CCNCC2)cc1)c1coc(-c2ccc3c(c2)OCO3)n1 82081789 APTTYRFDCNOPJV-UHFFFAOYSA-N 434.452 2.046 0 1 IEAF CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 95577125 FJJLJIBQQGUEHI-UHFFFAOYSA-N 448.589 2.287 0 1 IEAF in-vitro C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(Cc3nccs3)[C@@H]21 95881529 LDJBNXGTZHCRNA-KHNYXXQPSA-N 440.569 2.028 0 1 IEAF COc1cc(-c2c(C(N)=O)nnn2-c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC 103230343 QZZHJHZNLFRILP-UHFFFAOYSA-N 444.444 2.085 0 1 IEAF NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1 168434624 JMZHKNXMDKKICC-CYGHRXIMSA-N 448.361 2.109 0 1 IEAF O=C(O)CNC(=O)c1c(O)c2cccc3c2n(c1=O)C[C@@H](c1ccc(C(F)(F)F)nc1)N3 1857552757 VSGUVLRZXLNZOP-LBPRGKRZSA-N 448.357 2.102 0 1 IEAF COC(=O)[C@@H]1N[C@@H](C(=O)OC)C2=C1c1c([nH]c3ccccc13)[C@@]21CN(C)c2ccccc21 2356807949 YHTGEPSSZSALLA-DNRQZRRGSA-N 429.476 2.357 0 1 IEAF CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 1545874 HZAXNPDJVFUGDS-BYPYZUCNSA-N 427.380 2.001 0 1 IEAF in-vivo Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCNNC3=O)c(S)cc2Cl)cc1 1859528 DTZXBZOABFSEIO-UHFFFAOYSA-N 440.934 2.408 0 1 IEAF COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(N)c4)cc3)NC(=O)NC1=O)C2 58590512 BLBSVSQAGPCYLR-DEOSSOPVSA-N 443.463 2.030 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@H]1C 95810160 RZJYZFKNZOCSJO-TXTKFYIRSA-N 443.592 2.243 0 1 IEAF O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2 95881637 VSJWYLDRVGFTPJ-SCPDWHHUSA-N 433.483 2.222 0 1 IEAF O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1ccccn1 96906873 BFWDKCMZDSXLMZ-RTOPKKFASA-N 445.519 2.358 0 1 IEAF COc1ccc2c(c1)S(=O)(=O)N=C(c1c(O)c3cccn3n(CCC(C)C)c1=O)N2 100424686 YJZNZDXWNSYVDU-UHFFFAOYSA-N 430.486 2.422 0 1 IEAF COC(=O)C1=C[C@H]2C[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 195474266 HFPFDNPWRBBKBQ-SJFSSXKUSA-N 432.519 2.421 0 1 IEAF Nc1cnc(NC[C@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 224578365 NEJLQZLLEQEHGL-AWEZNQCLSA-N 425.468 2.356 0 1 IEAF COc1ccc([C@@H](O)[C@@H](C)c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc1 587938691 YUEZQUIWVFYKNR-ZHRRBRCNSA-N 438.528 2.159 0 1 IEAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@@]4(C)C(=O)[C@@](C)(C[C@H]12)[C@@]1(COC(=O)[C@@H]1[C@@H]4O)O3 2356717415 QXZNFWAPDOLGEF-ZDZDUDHYSA-N 444.524 2.341 0 1 IEAF CC(C)(C)OC(=O)N1CCC(NC(=O)c2[nH]cnc2C(=O)NCc2ccccc2)CC1 36388110 SKLJNHZDDXVPCT-UHFFFAOYSA-N 427.505 2.469 0 3 IEAF Cc1c(Cl)nc(NCc2ccc(CN)cc2)c(=O)n1CC(=O)Nc1cccc(CN)c1 28368923 ZMUYNOLYDZVWOL-UHFFFAOYSA-N 440.935 2.373 0 1 IEAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)c(OC)c1 84741732 LVSBTXSROYNVFU-UHFFFAOYSA-N 425.507 2.061 0 1 IEAF O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 95793899 BOKKRFULVUTARF-MIBOYBBPSA-N 437.445 2.096 0 1 IEAF COC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 95892212 VTLFRCJBSOXUAU-FDQGKXFDSA-N 445.497 2.339 0 1 IEAF CCN(CC)CCCn1c(=O)/c(=C\c2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 101747721 LYLYQNLOKJYCTC-RAVYIBKLSA-N 449.576 2.327 0 1 IEAF CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCOC4)n3)cc2)CC1 115626700 NGXNZAPQYXWYHB-GOSISDBHSA-N 434.544 2.338 0 1 IEAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 169348895 UNOQZKVEUMPMMM-IBZMOEQTSA-N 440.529 2.012 0 1 IEAF CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4ccc(S(C)(=O)=O)nc4)n3n2)c1 299831202 IYVMXPPGVATMMR-UHFFFAOYSA-N 428.495 2.265 0 1 IEAF CCS(=O)(=O)NCCCc1nc2c(I)cnc(Cl)c2[nH]1 586943141 WRIPSIZZHUNWES-UHFFFAOYSA-N 428.683 2.088 0 1 IEAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5cnnc(O)c5[nH]4)nc3n2)cn1 587131017 TUSLUTUFTWEHOV-UHFFFAOYSA-N 426.391 2.102 0 1 IEAF COCCOCCOCCO[C@H]1C=C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H]1O5 1772570182 YUNYZPGJOLFRAP-ZZRQWLGUSA-N 445.556 2.205 0 1 IEAF OC[C@H]1O[C@H](Oc2ccc(-c3ccc(Cl)cc3Cl)cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O 1772648620 HIICQHPCVTTXTK-ZBRFXRBCSA-N 435.687 2.493 0 1 IEAF CC(=O)N1CCC(NC[C@@H]2O[C@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@H]2O)CC1 2356287029 BWHWAHWCJRIRND-XJUOHMSHSA-N 429.517 2.099 0 1 IEAF COC(=O)[C@]1(Cc2ccc(O)c(C[C@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 13380601 AOQVEWHCTJBXCU-KHCICDEESA-N 440.448 2.182 0 1 IEAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1[C@@H](O)O2)C=CC(C)(C)O4 14721559 RLRNZCCQKAWONC-GIWBLDEGSA-N 426.421 2.430 0 1 IEAF biogenic O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1)c1ccncc1 25200753 JRUSVJALWBKODV-XJKSGUPXSA-N 429.274 2.199 0 1 IEAF biogenic CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)c3ccc(C#N)cc3)c2=O)CC1 25409875 QMUNSAQDCZKDAN-QUCCMNQESA-N 431.540 2.486 0 1 IEAF biogenic CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@@H]2[C@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 40488518 NELLEAIMLKACPD-HSALFYBXSA-N 435.590 2.186 0 1 IEAF CSc1nn(-c2ccccc2)c2nc(CNc3ccc(S(N)(=O)=O)cc3)[nH]c(=O)c12 64447737 VWOROLAIAIKWQM-UHFFFAOYSA-N 442.526 2.090 0 1 IEAF CCOCCn1c(=O)nc(NC2CCC(O)CC2)c2nnc(-c3ccc(OC)nc3)cc21 73198445 VHLLFQIJNSYDFS-UHFFFAOYSA-N 440.504 2.009 0 1 IEAF CC(=O)c1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1 84758281 AYTORLKNNKQBPO-PKOBYXMFSA-N 444.557 2.127 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CC2)C1 95665773 DRACXALBOOHMBP-HXUWFJFHSA-N 446.507 2.251 0 1 IEAF O=C(CCNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)NCc1ccc(C(F)(F)F)cc1 103261962 GVXMGFVHPBDGPY-UHFFFAOYSA-N 443.403 2.125 0 1 IEAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1noc(Cc2ccccc2)n1 221667875 RUTLACTVCZTWSF-YWPYICTPSA-N 428.424 2.469 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4c(O)nc(S)nc4[nH]3)cccc12 586942736 PSNOVDDVCUMSLA-UHFFFAOYSA-N 430.515 2.045 0 1 IEAF CC[C@@H](C)Cn1cnc2c(NCc3ccc(OC)cc3)nc(N(CCO)CCO)nc21 26580015 QOMDSVJGPQPUGK-MRXNPFEDSA-N 428.537 2.284 0 1 IEAF COc1cccc2c1C[C@]1(C2)C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 29410306 BIEACPWHNAUZTR-MBAUQFBBSA-N 433.504 2.149 0 1 IEAF C=CCNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)NCCOC 44681446 LJYXCXRVTLSWPU-XJPOOGSMSA-N 437.606 2.309 0 1 IEAF biogenic CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23 72123397 FUIGNTOGYCMMEX-UHFFFAOYSA-N 427.436 2.468 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)NCCCN3CCCC3)cs2)c1 82084872 DAHFINBNMFLVHC-UHFFFAOYSA-N 432.546 2.159 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1Cc1cccc(F)c1 95879611 ONFSIUOPTSVCHZ-RLBLXZPPSA-N 449.482 2.386 0 1 IEAF CN1[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]1[C@@H](C(=O)NCC1CCCCC1)[C@@H]2CO 95880016 QKRKHGCKWMYJRH-LGKPFJOYSA-N 436.556 2.200 0 1 IEAF C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(F)c(F)c1 145119716 NGIWXHCDWOYZCL-KLLFSAEGSA-N 440.414 2.330 0 1 IEAF CN1C(=O)CCc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)ccc21 147198782 KZVCOYJMMQJKSI-QFIPXVFZSA-N 445.878 2.172 0 1 IEAF Cc1ccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1 299826244 YMWWYTOTURKGDE-ZFFYZDHPSA-N 429.557 2.108 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Br)nc3[nH]2)[C@H](C)O)cc1 586936576 IVJIIKNKDNVHDO-LKFCYVNXSA-N 441.307 2.129 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 586937742 NCUYTBNQKOUYSJ-RFAUZJTJSA-N 430.408 2.386 0 1 IEAF O=S(=O)(NCc1nc2cc(-n3cccn3)c(F)cc2[nH]1)c1ccc2c(c1)OCCO2 586941220 GQETVGKPIAYXPE-UHFFFAOYSA-N 429.433 2.137 0 1 IEAF COc1cc(C[C@H](CO)[C@H](C[C@H](CCC[C@@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356545904 RUDBRFGTOROPKF-FWQLUELVSA-N 426.506 2.356 0 1 IEAF COc1cc(C=CC(=O)OC[C@@H](CO)OC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O 2356572300 WNKCXGPZQKICLI-QGZVFWFLSA-N 444.436 2.289 0 1 IEAF CCOc1ccccc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1 9407304 XLLACBVPWSBNGA-UHFFFAOYSA-N 441.528 2.375 0 3 IEAF COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)c1 15935596 FNSLMCCQSOTOIT-UHFFFAOYSA-N 445.497 2.066 0 3 IEAF C[C@@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2ccccc2OC(F)(F)F)C1 61903675 HYJVRZUQAFDBJW-QGZVFWFLSA-N 434.436 2.436 0 3 IEAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@H]1C(=O)NCCOCCO 4152554 MFKIPOOTRCJMDS-UNMCSNQZSA-N 428.485 2.311 0 1 IEAF COC(=O)[C@@H]1[C@H]2C[C@H]3c4[nH]c5ccccc5c4CCN3C[C@H]2CC[C@H]1OS(=O)(=O)O 13099324 XBZJQPNSUUABAM-OAWNVEJFSA-N 434.514 2.474 0 1 IEAF N[C@@H](Cc1ccccc1)C(=O)N1CCc2nc(O)n3nc(-c4ccccc4F)nc3c2C1 13824536 NPDXWHHLLNTIIB-SFHVURJKSA-N 432.459 2.091 0 1 IEAF Cc1cc(C(=O)N[C@@H]2CCN3C(=O)c4cc(-c5ccccc5F)ccc4NC(=O)[C@@H]23)nn1C 25176110 UNEWVXIEUSDPME-TZIWHRDSSA-N 447.470 2.500 0 1 IEAF biogenic CCCCCC[C@H](O)CCCCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O 36374489 PBKBHDLANIOIKK-AHNDFMKZSA-N 431.570 2.280 0 1 IEAF CC(C)[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)N[C@H]1CCCCNC1=O 82082226 NKEYWQKATFBHKC-DOTOQJQBSA-N 429.546 2.426 0 1 IEAF COc1cccc2c1C[C@]1(C2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195223481 BIEACPWHNAUZTR-CVFUMVCUSA-N 433.504 2.149 0 1 IEAF O=C(CON[N+](=O)N1CCCC1)NCCCCN=c1c2c([nH]c3ccccc13)CCCC2 377815823 UBDSGXSHJCQUHX-UHFFFAOYSA-O 441.556 2.070 0 1 IEAF Cn1c(S(=O)(=O)c2ccc(=N)[nH]c2)cnc1-c1ccc([C@](C)(O)C(F)(F)F)cc1 473136426 RIZKIHDHUBVHJF-KRWDZBQOSA-N 426.420 2.497 0 1 IEAF O=C(C1CCN(S(=O)(=O)c2cccnc2)CC1)n1ncc2ccc(Cl)cc2c1=O 587654838 NWNZHMFIEUPOBF-UHFFFAOYSA-N 432.889 2.186 0 1 IEAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2(C[C@H](C)CO2)[C@]2(O)[C@H](C)[C@H]3[C@@H](C(=O)[C@@H]12)[C@@H](C)C[C@H]3O 2356485482 ILGCHFGLRVXFPQ-CSPHFBITSA-N 448.556 2.379 0 1 IEAF COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)cc1 2356823465 GMWSKQGSXMOEHU-YSFYHYPLSA-N 436.468 2.003 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2CCc1ccccc1 95881325 VVUFFLHQISDCRV-AZOUXBGGSA-N 445.519 2.290 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886256 AMOSMMFFMRAXPR-OKYOBFRVSA-N 439.940 2.398 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CN4CCC3CC4)c2c1=O 115624650 FLMZRNBJVZLUEK-QFIPXVFZSA-N 446.555 2.338 0 1 IEAF CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)nn2)cc1 144117237 CHWJKQQTVDVOEL-UHFFFAOYSA-N 430.560 2.485 0 1 IEAF C=Cc1cccc(S(=O)(=O)NC[C@H]2C[C@@H]3O[C@H](CO)[C@@H](OCc4ccccc4)[C@@H]3O2)c1 220750990 GKYLJMFSXDIFIG-OOWPADAASA-N 445.537 2.111 0 1 IEAF CC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)nc2c1 586957333 YXORBJXBIFBIIA-UHFFFAOYSA-N 426.498 2.285 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H](C3)N4C3COC3)nc(C3CC3)n2)cc1OC(F)F 653671231 QSHLZPAYVLMRND-OKILXGFUSA-N 430.459 2.261 0 1 IEAF CO[C@@H]1CC(=O)[C@H]2[C@H]3C(=C(C=CC=CC=CC(=O)O)O[C@H]31)C(=O)O[C@@H](C)CCC[C@H]2O 2356447069 KZMINERHJZACPQ-DEIWWIKSSA-N 432.469 2.089 0 1 IEAF COc1cccc(CNC(=O)CNC(=O)c2coc(-c3ccc4c(c3)OCO4)n2)c1OC 82084760 BPCRXPQYFMVEBG-UHFFFAOYSA-N 439.424 2.134 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccccc2)[C@H](N)CC3)c1 88260990 NWPXTIFEDMNRLX-FGZHOGPDSA-N 440.569 2.377 0 1 IEAF CC(C)(C)OC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)c1 95566191 GXULMWAKLMUJJH-UHFFFAOYSA-N 446.529 2.233 0 1 IEAF COc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O 112940876 OQEWGNSWUFKNQS-UHFFFAOYSA-N 439.493 2.308 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C 169353344 HHEXKUYCUJXZBF-YBKVYHECSA-N 437.533 2.272 0 1 IEAF C[C@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1cc(F)cc(F)c1 205044154 PTEQKQJHVDUVQN-JEHWNMSRSA-N 440.414 2.330 0 1 IEAF O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4F)C3=O)ccc2N1 221292265 MGGILDNIPCGICN-NRFANRHFSA-N 449.841 2.287 0 1 IEAF CCCCNS(=O)(=O)c1ccc2nc(-c3sc(NS(C)(=O)=O)nc3C)[nH]c2c1 586951683 URPVFWGUQQIDRH-UHFFFAOYSA-N 443.576 2.445 0 1 IEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(O[C@@H]3C[C@@H]12)C(=O)Nc1cc(OC)c(OC)cc14 2356414039 DMXXRTAVQXGQOV-YTSPPIMCSA-N 444.484 2.011 0 1 IEAF Cc1cc(C(=O)N[C@H]2CCC[C@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)no1 2356471350 TUTZDDXEQSXZIA-YJBOKZPZSA-N 448.470 2.325 0 1 IEAF Cc1ccc2oc(-c3cccc(NC(=O)Cn4cnc5c(=O)n(C)c(=O)n(C)c54)c3)nc2c1 679449 JPYJXXMFQGNROT-UHFFFAOYSA-N 444.451 2.189 0 3 IEAF O=C1NC(=O)C2(CCCN2c2ccc(Oc3ccc(Br)cc3)nc2)C(=O)N1 28960399 CWOIBYBXJSRSGT-UHFFFAOYSA-N 431.246 2.341 0 1 IEAF COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3O)n3ccnc3c2C(N)=O)cc(OC)c1 40939647 XQBGYUQLHOJLQM-JKSUJKDBSA-N 426.477 2.304 0 1 IEAF CC(C)(C)OC(=O)NCCNc1cc2c(cc1F)c(=O)c(C(=O)NCCO)cn2C1CC1 73196192 QMIUYMPSKPCEMV-UHFFFAOYSA-N 448.495 2.134 0 1 IEAF CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C 82235327 ZQJOZFWRHHNGHR-NQIIRXRSSA-N 444.576 2.257 0 1 IEAF COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1OC 587134047 JEZILVSTJOTQPC-UHFFFAOYSA-N 429.376 2.254 0 1 IEAF O=C1c2ccc(O)cc2O[C@]2(C=C(CN3CCOCC3)OCC2=O)[C@@H]1c1ccc(F)cc1 587337055 BAMXWCCWLTZNQQ-VWNXMTODSA-N 439.439 2.444 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587760009 NNLLUAKCKQLVOH-YPMLDQLKSA-N 427.270 2.082 0 1 IEAF CN(C[C@@H]1NC(=O)[C@H]2SCC[C@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 618014223 KDSNSFMOIDUHQD-GIVPXCGWSA-N 433.537 2.288 0 1 IEAF CC(=O)N1CCCn2c(SC[C@@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)nnc21 963039608 ZBCSXZJNOMHBRV-SPLOXXLWSA-N 426.546 2.096 0 1 IEAF NC(=O)C[C@H]1COc2cc(Br)ccc2N1C(=O)c1ccc2c(c1)NC(=O)CO2 1772623091 ONFNEWGKOKVUHI-LBPRGKRZSA-N 446.257 2.063 0 1 IEAF O=c1cc(NC[C@H](O)CN2CCN(c3nccc4ncccc34)CC2)c2cc(F)ccc2o1 1857587973 LYIMJKFUHYOWBM-KRWDZBQOSA-N 449.486 2.470 0 1 IEAF COc1ccc2c(c1OC)C(=O)O[C@@]21ON(C)[C@@H]2Cc3cc4c(c(OC)c3[C@H]21)OCO4 2356426316 UTIBECRJUMNGTP-XUTBRHNUSA-N 427.409 2.350 0 1 IEAF CN(C)CCN1C(=O)CC[C@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O 38398977 AOPUCXJOQDSGGJ-IBGZPJMESA-N 431.492 2.045 0 1 IEAF Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 95905523 DDRMKOIBSRTVIH-SLFFLAALSA-N 438.590 2.268 0 1 IEAF CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C 137289943 KBHPPKYRDDJVFM-RIIPRFJFSA-N 426.506 2.461 0 1 IEAF O=C1CC[C@]23C=CC(=O)NCCCCN4CCCN(C4)C(=O)C=Cc4ccc(c2c4)O[C@@H]3C1 2356465403 QRISBUREZACXLK-BVAGGSTKSA-N 449.551 2.410 0 1 IEAF CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@H](CC(=O)NCCc2ccccn2)C1 61922961 ZYOLZJWEYKOJKK-IBGZPJMESA-N 444.576 2.158 0 3 IEAF COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)c4cnccn4)C[C@H]2C(=O)N3)cc1 4236040 SWIUYDHDLUEBNG-NRFANRHFSA-N 443.463 2.071 0 1 IEAF biogenic NCCCCNC(=O)CN1CCCC[C@@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 13588635 OHWMOKHJOBUTEB-JOCHJYFZSA-N 436.556 2.320 0 1 IEAF CN(C)C[C@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711453 JQOOLVCGBWIAAM-JXFKEZNVSA-N 426.452 2.100 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@@H]3c4ccccc4N[C@@H]3C2=O)CC1 40938329 GZRHSNKERQYZPU-USCONSEESA-N 435.528 2.293 0 1 IEAF COCCN(c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ncn1)C1CCCCC1 43203223 KGIXVOLBTGVHMY-UHFFFAOYSA-N 447.561 2.470 0 1 IEAF CCN1[C@H](C(=O)NCc2ccccn2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 95879159 SXEQEMFEENLYKC-RLBLXZPPSA-N 434.540 2.111 0 1 IEAF COc1ccc(C(=O)N2C[C@H]3CN(c4nc(C)c(F)c(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 116823481 OMLRZKUXAYHIPR-HOTGVXAUSA-N 437.479 2.030 0 1 IEAF Cc1cnc(NC(=O)[C@@H]2C[C@H](F)CN2C(=O)[C@H](CC2CCCC2)CN(O)C=O)s1 299830035 LUYFCYOVGQEOQW-PMPSAXMXSA-N 426.514 2.373 0 1 IEAF O=S(=O)(/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1 586923914 AEWHCGATEKHGQC-JYRVWZFOSA-N 433.511 2.028 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cncnc3[nH]2)cc1 586952394 FRRJQXYTBYULMZ-HNNXBMFYSA-N 432.506 2.206 0 1 IEAF COc1cc(OC)c2nc(-c3nn(CC(=O)O)cc3I)[nH]c2c1 587185789 OHYMYSQTAIGNPG-UHFFFAOYSA-N 428.186 2.133 0 1 IEAF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@]2(CS(=O)(=O)Oc3ccc(Br)cc32)N1 962900722 JGXUJWRHJJIXFY-GUYCJALGSA-N 442.262 2.153 0 1 IEAF Cc1cc2c(N)noc2c(N2CC[C@@H](NC(=O)c3ccc(-n4cnnc4)cc3Cl)C2)n1 1772609366 HWWHEYRLQJELDD-GFCCVEGCSA-N 438.879 2.356 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3nccc4sccc34)CC1)CCC[C@H]2O 1772612649 ABTOFZCPUPVFTQ-GOSISDBHSA-N 425.558 2.353 0 1 IEAF C=CS(=O)(=O)N1CCC[C@@H]1Cn1cc(-c2ccc3c(c2)OCO3)c2c(N)ncnc21 1857744105 OSAWFUCUZJNEID-CQSZACIVSA-N 427.486 2.347 0 1 IEAF CC(=O)OC[C@H]1O[C@H](OC(C)(C)[C@@H]2CC=C(C)CC2)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356510813 MMAWDOHNXONWOF-QMFSVNIWSA-N 442.505 2.040 0 1 IEAF CCN(CC)C(=O)CC[C@@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cn(C)c3ccccc23)N1C 2356851887 QKZHXOLYRPGHEC-CKUXNOBLSA-N 439.604 2.200 0 1 IEAF COc1ccccc1C(=O)N1CCN(c2nc3[nH]nc(NC(=O)C4CC4)c3cc2F)CC1 28975947 SZMMWBGIOUUTPF-UHFFFAOYSA-N 438.463 2.417 0 1 IEAF O=C(O)CN1C[C@@H](c2ccccc2)SC[C@H](N[C@@H](CCc2ccccc2)C(=O)O)C1=O 29569219 RYEAECHOAWRETF-UFYCRDLUSA-N 442.537 2.432 0 1 IEAF Cc1ccc(=O)[nH]c1C(=O)N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccc(F)cc1 40949926 CZRDIQFDNDMBEC-IBGZPJMESA-N 435.455 2.049 0 1 IEAF N[C@H](Cc1ccccc1)[C@H](O)C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 66122866 NYRSFOALGJBFKO-SGNDLWITSA-N 448.519 2.308 0 1 IEAF COc1cc2nc(N3CCCN(C)CC3)nc(NCCCN3CCCC3=O)c2cc1OC 82132085 SDWDRBMPSAORCO-UHFFFAOYSA-N 442.564 2.213 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 95734146 WESXQGCLCDUYEJ-WMGGKRPOSA-N 445.560 2.220 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NC[C@H]3CCCC[C@@H]3F)C[C@H]3C[C@H]32)c2cnccc12 217657722 SVFBVYGAJMPMKF-FDMITFGQSA-N 441.507 2.268 0 1 IEAF CCC12CNCC(CC)(CNC1)C21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642945 RTIABJBMGPJOBL-OYPVPUJCSA-N 427.467 2.379 0 1 IEAF CS(=O)(=O)Nc1cccc(C2=NN(C(=O)Cc3ccccc3)[C@](O)(C(F)(F)F)C2)c1 1857638279 NLXKKBWAMFRZAG-GOSISDBHSA-N 441.431 2.488 0 1 IEAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]23OC(=O)C[C@H](O)C(=O)[C@@H](O)CC1 2356635593 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449.554 2.036 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)Oc1c(O)ncc2c1O[C@H]1[C@@H](O)CC[C@@]2(O)[C@H]1O 2356323142 IVQSLLHVPILGQY-ZHXBUTDASA-N 445.512 2.031 0 1 IEAF COCCCN1C(=O)[C@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C 61921906 FGBKPHVSYKUQTQ-FQEVSTJZSA-N 449.592 2.091 0 3 IEAF CC[C@@]1(OC(=O)CCC(=O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1611443 UESWSQRNVWIBPP-DEOSSOPVSA-N 448.431 2.495 0 1 IEAF NS(=O)(=O)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(Cl)c1 13835299 PFHNCAAEZAYDFA-UHFFFAOYSA-N 436.767 2.484 0 1 IEAF COc1cc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccccc2F)ccc1O 14958983 SQHYXCMHFDMXDW-MJGOQNOKSA-N 429.492 2.107 0 1 IEAF CC(=O)SCC(=O)Oc1ccccc1OC[C@H]1SCCN1C(=O)CSC(C)=O 27562028 JNPDZGPJDABVAB-QGZVFWFLSA-N 443.568 2.432 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C2CCNCC2)sc1CCO 84757180 FQROWOSNUNJCFW-KRWDZBQOSA-N 436.965 2.435 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@@H](N)CC3)c1 88260991 NWPXTIFEDMNRLX-VXKWHMMOSA-N 440.569 2.377 0 1 IEAF CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291379 DBKSKPODNPGURY-ZRGWGRIASA-N 444.358 2.095 0 1 IEAF Nc1ncc(-c2ccc(S(=O)(=O)NC3CC3)cn2)cc1-c1ccc2c(c1)CCNC2=O 203856115 YVDFUSPWADHQSC-UHFFFAOYSA-N 435.509 2.119 0 1 IEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)N[C@@H](C)C(=O)O)cc1)[C@@H](C2)C3=O 587451807 ZUTKTJKGNIJVKH-VQDICGIKSA-N 431.466 2.109 0 1 IEAF CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(NS(C)(=O)=O)c2)c(O)cc1O 1911574226 KALAUXJUPRCSCG-UHFFFAOYSA-N 446.485 2.130 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@@](O)(C(=O)OC)C5)[C@H]43 2356698665 JEKCMGKEQFMXCT-KGZUAYNTSA-N 442.512 2.214 0 1 IEAF CC[C@]12C(=O)N(C)C[C@H]([C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]31)N2C(=O)c1ccc(F)cc1 61949144 HSIGXFXCEFEVPG-XZWCOCNFSA-N 449.482 2.072 0 3 IEAF CCOC(=O)c1nc(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2c(C)noc2n1 21646062 JHQFKUHSLFCJIT-UHFFFAOYSA-N 425.445 2.154 0 1 IEAF COc1ccccc1OC[C@H](O)CN1CCC(NC(=O)NC(=O)c2ccc(F)cc2)CC1 27983743 HTTWPSWLOHYHAA-LJQANCHMSA-N 445.491 2.178 0 1 IEAF COc1cc2nc(N3CCN(C(=O)c4ccco4)CC3)nc(NC(C)=O)c2cc1OC 40918691 RXRZQSFXVPMSLO-UHFFFAOYSA-N 425.445 2.161 0 1 IEAF COc1ccc([C@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNCC3)cc1 62224164 RVABLDVEIYLIRF-FQEVSTJZSA-N 425.485 2.392 0 1 IEAF COc1cc2nc(N3CCC(CCO)CC3)nc(N[C@H]3CCCCNC3=O)c2cc1OC 82131072 LOFQDZXRRRODKH-KRWDZBQOSA-N 443.548 2.326 0 1 IEAF Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 116910539 XNSPIQJDTPKNAN-OAQYLSRUSA-N 434.414 2.309 0 1 IEAF CC(=O)N1CCC(N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)S(C)(=O)=O)CC1 148282034 UOUDCFOCWFKDJV-IBGZPJMESA-N 443.569 2.428 0 1 IEAF C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324)C(=O)O 299852905 ZCYXSRAEMATING-BHYYMBOOSA-N 426.421 2.031 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CC(=O)N(C)C)[nH]c4c3)cc2)CC1 587197216 MFPUIIJHWXURQM-UHFFFAOYSA-N 434.544 2.193 0 1 IEAF O=C(O)c1ccc(Cn2ccc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)n2)cc1 957921598 OBTTXLQMFXLYNK-UHFFFAOYSA-N 427.482 2.318 0 1 IEAF C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(-c4nnn[nH]4)cn1c23 43203722 OGYDWTUATDVJEG-NSHDSACASA-N 436.451 2.296 0 1 IEAF CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1C(C)C 82235546 MNVJYFTXEULZKB-LEWJYISDSA-N 444.576 2.113 0 1 IEAF COc1ccc(NC(=O)N(C)C[C@@H]2Oc3ncccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 95735379 DYLUPURRUAZIFP-YRNRMSPPSA-N 442.516 2.474 0 1 IEAF CCC(=O)N1[C@@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N(C)C 95880203 HMJCVLNZUQFBLU-ISVBNAPWSA-N 435.524 2.007 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 95880565 WKROIESQYDLSSE-KZKAQZJJSA-N 447.535 2.308 0 1 IEAF COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@@H](CO)N2C(=O)C1CCOCC1 95893365 IUOZFGPRILADDD-XPNTWCBSSA-N 436.508 2.438 0 1 IEAF O=C(CC1CC1)N1[C@@H]2CN(S(=O)(=O)c3ccc(F)cc3)c3ccccc3[C@@H]2[C@@H]1CO 95893682 DOEUZOXRYYTSJB-URVUXULASA-N 430.501 2.490 0 1 IEAF C[C@@H]1CC[C@@H](Oc2cc(S(C)(=O)=O)ccn2)CN1C(=O)c1ccccc1-n1nccn1 299851655 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447.557 2.318 0 1 IEAF COc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)Nc2ccc(F)cc2)cc(OC)c1OC 45506046 AASDOETWBYSNMM-OAHLLOKOSA-N 434.420 2.453 0 1 IEAF COC(=O)Cn1c(=O)c(NCc2ccc(O)cc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82204815 HQCMUYUVEIIVDI-KRWDZBQOSA-N 442.516 2.265 0 1 IEAF CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1N[C@H]1CC[C@@](C)(O)CC1 113482788 KUKVPUVFVIDHDC-KIFPSNHUSA-N 447.561 2.391 0 1 IEAF NC(=O)c1nn(CC(=O)N2[C@H](C(=O)NCC(F)=C3CCCC3)C[C@H]3C[C@H]32)c2ccccc12 206559090 HNMJNQOQXAYCNO-ZMYBRWDISA-N 439.491 2.038 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 299877812 HXRHFVMLNUIDPG-DWIQEWEKSA-N 426.517 2.115 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc4ccccc4[nH]2)C3)n1 473170629 CSASZLQIJMDWMO-SNRMKQJTSA-N 426.484 2.193 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3nc(Cl)c[nH]c-3n2)C(C)C)cc1 586933467 SKXWXDUTXQVJQJ-OAHLLOKOSA-N 436.925 2.270 0 1 IEAF O=C1C[C@H]([C@H](O)[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O)Oc2c1ccc1c2CCCC1 587530085 DKMIWFOQFBUQLK-SPPTZYQBSA-N 440.492 2.096 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 587750962 VNQSUJUEIYZKIC-JOCSLMJGSA-N 438.297 2.456 0 1 IEAF COc1cccc2c3c(cnc12)CCN[C@@H]3c1ccc(S(=O)(=O)NCCC(=O)O)cc1 963044750 CMRGUMZMFQAOPN-OAQYLSRUSA-N 441.509 2.232 0 1 IEAF O=S(=O)(Nc1ccc(-c2cn(-c3ccccc3F)nn2)cc1)c1cnc(O)nc1O 1857594456 UNEMCMAXDLTXMW-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF Cc1nc2ccccc2nc1CN(C)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1 26962844 XQIWOORCQIUOJG-QGZVFWFLSA-N 430.530 2.181 0 1 IEAF Cc1noc([C@@H](NC(=O)n2c(=O)n(CCN3CCOCC3)c3ccccc32)C(C)(C)C)n1 40954017 JKOKWNBLJPOKNE-GOSISDBHSA-N 442.520 2.172 0 1 IEAF Cc1csc2ncnc(N3CCC(NC[C@H](O)COc4ccc(O)c(CO)c4)CC3)c12 64549194 JOMRBIAUJPLIIS-KRWDZBQOSA-N 444.557 2.196 0 1 IEAF O=C(NCCc1ccccc1)[C@H]1N[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]2[C@@H]1CO 95880475 DPYZBLDXAXWDLS-ZQRMPTRQSA-N 447.510 2.265 0 1 IEAF Cc1ccc2nc([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)[nH]c2n1 586936381 MFJKPPUETCINPD-HNNXBMFYSA-N 442.950 2.374 0 1 IEAF CC[C@]1(c2cnc(NC(N)=S)nc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729905 KZKKEPJQVRHKRF-PXAZEXFGSA-N 425.436 2.137 0 1 IEAF COC(=O)c1ccccc1NC(=O)N1CCC[C@H](O)[C@@H](NC(=O)c2ccc(OC)cc2)C1 2356811461 BOWOYKXDVIXPLS-PMACEKPBSA-N 441.484 2.269 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2O)C[C@@H]2CC[C@H]1N2C 13606127 QYYWMLHRGDGTBW-MMMKDXCPSA-N 445.253 2.178 0 1 IEAF COC[C@@H]1CC[C@@H](C)[C@](O)(C(=O)C(=O)N2CCCC[C@H]2C(=O)OCc2ccccc2)C1 26494260 FCQVZVMCHYHSSI-HMSHQKHKSA-N 431.529 2.494 0 1 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 82220116 YFGHLJOXLFMJBE-AYBZRNKSSA-N 435.590 2.481 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O 95602288 PPTOEGBKCBKFEQ-GQIGUUNPSA-N 426.517 2.116 0 1 IEAF O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95874700 YYRMYXBGXGANGU-WEWMWRJBSA-N 449.595 2.437 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(N[C@H]4CCNC4)cc(Nc4cccc(Cl)c4)nc23)N1 117820737 OWPDNCRGIFXISG-WACFDSSMSA-N 438.879 2.080 0 1 IEAF C[C@@]1(c2sc(-c3cncnc3)cc2Cl)CS(=O)(=O)C2(CCOCC2)C(N)=N1 207734640 BQJHRSMLPJPSJI-INIZCTEOSA-N 426.951 2.409 0 1 IEAF C=C(Cl)C(=O)N[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 253693282 WCOOYUULXHMRKM-HBSUSWDLSA-N 430.932 2.194 0 1 IEAF O=C(Nc1ccccc1)N1CCN(c2nc3c(c(N4CCOCC4)n2)CSCC3)CC1 653716940 BKRZJPBALKYQIR-UHFFFAOYSA-N 440.573 2.457 0 1 IEAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@@]12N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963230278 XHVZAMKDWOJQBU-OTPAQWSUSA-N 427.460 2.185 0 1 IEAF CN1CCC[C@@H](c2ccccc2OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)C1 1772588492 XLTVCBJHAJFECK-DHIUTWEWSA-N 437.584 2.410 0 1 IEAF CSCC(=O)N1CCN2C(=O)c3cc(-c4ccc5c(c4)OCO5)ccc3NC(=O)[C@H]2C1 4236073 WPJJJXNEAULWMT-QGZVFWFLSA-N 439.493 2.050 0 1 IEAF biogenic CCOC(=O)c1cc2c(CC)c3c(nc2cn1)-c1cc2c(c(=O)n1C3)COC(=O)[C@]2(O)CC 13740839 LGGHNXJJDWXYGA-DEOSSOPVSA-N 449.463 2.214 0 1 IEAF O=C(O)Cn1nnc(-c2cnc(N3C[C@@H]4CN(c5cc(F)ccc5Cl)C[C@@H]4C3)s2)n1 68246703 OLFQIHGVKPQPCF-PHIMTYICSA-N 449.899 2.246 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(C)=O)O2 95710678 UUOCJBRUULBREA-XCGNWRKASA-N 441.528 2.456 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1Cc1ccccc1 95880996 XKGSMKGPIOEKIT-CJTFWIGWSA-N 444.535 2.210 0 1 IEAF O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C(=O)C2CC2)CC1 148000957 XGXYIXNWQNNHRE-UHFFFAOYSA-N 438.503 2.073 0 1 IEAF O=c1c2ccccc2nc(O)n1C[C@H]1CC[C@H](C(=O)N2CCN(c3ncccn3)CC2)CC1 299862999 OIDXQLUDNCSYAE-IYARVYRRSA-N 448.527 2.047 0 1 IEAF C[C@](O)(CO)c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1 473136188 NVRHWELRHNYZOU-KRWDZBQOSA-N 425.919 2.304 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)O2 587407706 CHXJRSKJWXXNQH-HXUWFJFHSA-N 429.542 2.439 0 1 IEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)c(CCCN2CCN(C)CC2)cc1F 1772618306 RIYSPSXCDSEHMF-UHFFFAOYSA-N 441.548 2.296 0 1 IEAF C[C@H](O)[C@H](O)C=Cc1cccc(O)c1CO[C@H](C=Cc1cccc(O)c1CO)[C@H](C)O 2356563952 GMFSMTQDXLWFSS-UDBZMMNRSA-N 430.497 2.324 0 1 IEAF COc1ccc(CN[C@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 2356772692 GPAVCRUKHYJXAP-MOPGFXCFSA-N 428.533 2.415 0 1 IEAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCCC3)[C@H](O)[C@H]2[C@@H]1C 2356837993 LPEKSOWODYIDBW-JGFRLUBHSA-N 436.641 2.346 0 1 IEAF COc1ccc(NC(=O)NC2CCN(C[C@H](O)[C@@H]3COc4ccccc4O3)CC2)cc1 27984144 MFNXJAQBVWYFJU-UGKGYDQZSA-N 427.501 2.482 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N[C@H]3C2=O)CC1 40429158 MXCBBGOZSWZFBD-FCHUYYIVSA-N 435.528 2.295 0 1 IEAF CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3cnn(C4CCNCC4)c3n2)cc1 43062891 BCTJBMRLXUOXJQ-UHFFFAOYSA-N 436.520 2.006 0 1 IEAF COc1ccc(C(=O)O[C@@H]2CO[C@@H]3[C@@H](OC(=O)c4ccccc4OC(C)=O)CO[C@H]23)cc1 45320508 WYCFSWCRVDHGID-PLACYPQZSA-N 442.420 2.169 0 1 IEAF O=C(Cc1ccncc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95675266 WUPYLLMMUFNJPD-UCNVEGJOSA-N 439.491 2.137 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C 95859838 RIHRPLOFFJCHJI-IUKKYPGJSA-N 439.556 2.236 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(Cc1nccs1)CC31CN(C(C)=O)C1 95867415 ZEGJXTYBHOELHQ-SFHVURJKSA-N 426.542 2.293 0 1 IEAF CNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889107 IJEGDLNEQMJCTO-QRFRQXIXSA-N 444.532 2.267 0 1 IEAF O=S(=O)(c1ccc2ccccc2c1)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 586954547 KCBAFUUSFUTNKM-UHFFFAOYSA-N 425.470 2.486 0 1 IEAF COC(=O)[C@H](O)[C@@]12C(=O)[C@@H](C3=C4CC(=O)O[C@H](c5ccoc5)[C@]4(C)CC[C@H]31)[C@@H](O)C2(C)C 2356604311 XOHRSMKBHRXRSQ-VVHOEHPNSA-N 444.480 2.100 0 1 IEAF CC[C@@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 2491688 QWMSWOCHELDBTL-CTNGQTDRSA-N 447.576 2.018 0 1 IEAF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)CN4CCN(C)CC4)cccc2-3)cc1 22927705 VUCNOAQOECDGSB-UHFFFAOYSA-N 431.496 2.483 0 1 IEAF CC(=O)O[C@@H]([C@H]1C[C@@H]1C(=O)[C@H](C)OC(=O)/C=C\c1ccc(O)cc1)[C@H]1CC=CC(=O)O1 49067047 HEYOPWSFHOXZQH-DKNNSNLISA-N 428.437 2.346 0 1 IEAF in-vitro Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 95834385 MEJUTVOAQGGYHA-SXWKCWPCSA-N 443.592 2.243 0 1 IEAF CCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888447 GCTHDWJSWMFTNQ-AYBZRNKSSA-N 432.521 2.123 0 1 IEAF CC[C@@H](C)Oc1cccc([C@@H](C)CS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 96172707 DRQQCGZRZAOVAN-DLBZAZTESA-N 438.546 2.297 0 1 IEAF CN(C)C[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 100847792 SGSFRDWSXXVGAB-GFCCVEGCSA-N 446.504 2.068 0 1 IEAF O=C(O)[C@]1(OCc2cccc(-c3ccc(OC(F)(F)F)cc3)c2)C[C@@H](O)[C@@H](O)[C@H](O)C1 101024121 RJIQGJJBLBXIQI-MLYOOKFZSA-N 442.386 2.469 0 1 IEAF Cc1c(NC(=O)COC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)c(=O)n(-c2ccccc2)n1C 101765292 QFPWKMSABBFKIW-GAAJCNLQSA-N 439.512 2.297 0 1 IEAF CO[C@H]1COC(=O)[C@@H](C)COC(=O)[C@@H](COCc2ccccc2)NC(=O)C/C=C/[C@H]1C 169296113 BYRBRRVPQFPPQY-OHACTOQTSA-N 433.501 2.022 0 1 IEAF Cn1c(=O)oc2cc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)N3CCCCC3)ccc21 6577413 YHGGIBQJBYMYPG-GOSISDBHSA-N 443.525 2.034 0 3 IEAF aggregator 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CCN(CC)C(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc12 9776284 HWRKXAIGXJKXNA-UHFFFAOYSA-N 438.484 2.001 0 1 IEAF Nc1nc(N2CCN3[C@@H](CCC[C@@H]3COc3ccccc3)C2)nc2nc(-c3ccco3)nn12 13585807 UIFPQIPWCRZDEB-DLBZAZTESA-N 446.515 2.484 0 1 IEAF CC(C)C[C@H](NC(=O)c1cccc2c1N[C@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@H]1O 36269530 SOWCNGSORKLXDE-AQBJMCTPSA-N 443.569 2.435 0 1 IEAF CCCCO[C@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 82219954 HIIXSLMNTMGICD-VQTJNVASSA-N 449.617 2.414 0 1 IEAF O=c1ccn(COCCCS(=O)(=O)CCc2cccc(SCC3CC3)c2)c(=O)[nH]1 96172650 PRSRWVLQNWFHQO-UHFFFAOYSA-N 438.571 2.060 0 1 IEAF COc1cc(Br)c([C@@H](N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 586976065 SNHFHKVRXNWVPE-MRXNPFEDSA-N 430.266 2.366 0 1 IEAF Cc1nn(C)c(C)c1[C@]1(C(N)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182372 OUGQQFKALSZWIX-SUMWQHHRSA-N 430.814 2.037 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccco1 2356726748 USGVVKAVNFJEGK-CRSSMBPESA-N 436.556 2.001 0 1 IEAF O=c1n(-c2ccc(Cl)cc2)cnn1C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 72175440 IQNWOIIUFQWHSH-IBGZPJMESA-N 432.818 2.145 0 1 IEAF Cc1nc(N2C[C@@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@H]3C2)nc2c1CCC2 116823561 ZTGJNAYBFDLHLF-HOTGVXAUSA-N 433.491 2.202 0 1 IEAF CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN([C@@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 169306487 VOLZOCOQWAJOAR-QDVUDXHZSA-N 428.485 2.003 0 1 IEAF COc1ccc([C@H]2C[C@@H]2COc2cc(NCc3cnn(C)c3Cl)c(=O)n(C)n2)nc1 218391075 ALUBMFCWHFFWIO-DOMZBBRYSA-N 430.896 2.365 0 1 IEAF Cc1nc(C)n(-c2cc([C@H]3C[C@@H]3c3nc4ccccc4n3C)nc(N3CCNCC3)n2)n1 223432488 VBLWBMDBQRQHRZ-IRXDYDNUSA-N 429.532 2.242 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCCO1 261110794 HZQQJAKATKCPDP-IPJJNNNSSA-N 428.577 2.383 0 1 IEAF CC(C)[C@]12C[C@]3(C)[C@]4(Cc5c(cc(O)c6c5[C@H](O)[C@H](C)OC6=O)O[C@]4(C)C[C@@]3(O)O1)O2 2356827022 HMRARWPSVSGXMT-URIDXICFSA-N 432.469 2.318 0 1 IEAF N=C(N)NCOc1ccc(CC[C@@H](CC=C[C@H](O)c2ccc(O)cc2)S(=O)(=O)O)cc1 2356835488 KSGQAIBVAAPEPI-UXHICEINSA-N 449.529 2.080 0 1 IEAF CCCCn1nnnc1[C@H](c1cc2ccccc2o1)N1CCN(CC(=O)NC(C)C)CC1 95599342 JJFKYKZVQSPZQC-QFIPXVFZSA-N 439.564 2.451 0 3 IEAF O=C(Nc1ccccc1)c1cc(S(=O)(=O)N2CCNNC2=O)c(S)cc1Cl 1859524 WKGXCHCQCUECAQ-UHFFFAOYSA-N 426.907 2.100 0 1 IEAF O=C(CCCn1c(=O)[nH]c2ccsc2c1=O)NC1CCN(Cc2ccccc2)CC1 4790270 JTMPZKBLAPQUKV-UHFFFAOYSA-N 426.542 2.312 0 1 IEAF CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(NCCN2CCNCC2)n1 28524479 MECNBEZADJQUSX-UHFFFAOYSA-N 442.495 2.016 0 1 IEAF CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF 28569734 RKGZUGUTFRGBHD-SYNHAJSKSA-N 437.512 2.219 0 1 IEAF CN(C)CC/N=c1\c(O)c(O)\c1=N/C/C=C\COc1csc(CN2CCCCC2)c1 29479169 XYRKQYMFQUKYDV-KDKAKKDESA-N 432.590 2.019 0 1 IEAF CN1CN(C)c2nc3n(Cc4ccccc4)c(O)c(Cc4ccccc4)c(=O)n3c2C1=O 34168919 LJGMAQCGTVMPEW-UHFFFAOYSA-N 429.480 2.320 0 1 IEAF C[C@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 49068106 MEENAQZEWNMRAH-NSHDSACASA-N 442.451 2.055 0 1 IEAF CC[C@@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208415 JHOCUAQWIKDNOX-GOSISDBHSA-N 437.475 2.368 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC 82235472 IYEMEHUPTVQDQS-WMQCIHAUSA-N 444.576 2.113 0 1 IEAF Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@H](CO)O1 95677748 VZLRHERICGIZBB-KURKYZTESA-N 434.468 2.281 0 1 IEAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F 95900495 PIWWRJKYNWMMLJ-NUADTHGBSA-N 442.434 2.488 0 1 IEAF O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 95900565 FNDPGVQZUOXHHT-FPDBKICDSA-N 427.409 2.137 0 1 IEAF O=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2c[nH]ccc-2n1 100935012 WXUVUNVAKIBKMP-UHFFFAOYSA-N 427.511 2.157 0 1 IEAF CC1(C)O[C@@H]2[C@@H](CO)O[C@@H]3[C@@]2(O1)C(=O)N1c2ccccc2C(=O)[C@]31c1c[nH]c2ccccc12 199820100 KRWUDKFCELFAOW-VSSUNKBFSA-N 446.459 2.256 0 1 IEAF CN1C(N)=N[C@](C)(c2cc(NC(=S)c3ccc(F)cn3)cc(F)c2F)CS1(=O)=O 209504919 AZXUJPQSSFWKSY-KRWDZBQOSA-N 443.476 2.092 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@H]2CN1C(=O)OC(C)(C)C 587558841 UNKSHDJJUBIDRZ-RBOXIYTFSA-N 444.488 2.340 0 1 IEAF C[C@H]1CC[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)C1=O 2356484117 JFXPTGJYLLVAFU-YQXATGRUSA-N 428.529 2.272 0 1 IEAF O=C1CN2Cc3cc(OCCCC(=O)N4CCN(Cc5ccccc5)CC4)ccc3N=C2N1 13725979 XONGPOXSLVTWLT-UHFFFAOYSA-N 447.539 2.123 0 1 IEAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3N2C[C@H]2c2ccc(F)cc2)CC1 29313046 YGILBIXGAHSGPX-TYKNXJODSA-N 440.450 2.423 0 1 IEAF COCC(=O)N(C)C[C@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95701174 LYUORSVQLKBORB-CBGDNZLLSA-N 445.560 2.364 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95795640 YTXOATAQUYUYJS-FUDKSRODSA-N 432.455 2.094 0 1 IEAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCNC2=O)nc1C1CCCC1 101584685 PVQLKYMMJSZPJU-ZHRXWCINSA-N 439.560 2.104 0 1 IEAF COc1ccc([C@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC 110766596 OHSXTVPHZMEZHA-PMACEKPBSA-N 428.460 2.356 0 1 IEAF CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(Cl)s3)C2)nc(OC)c1F 140583596 ZTDGQYJGQFFPJD-YYSFKGJASA-N 438.916 2.020 0 1 IEAF O=C(O)CN1C(=O)C(N[C@@H](CCc2ccccc2)C(=O)O)=C[S@H](O)c2ccccc21 169713050 HISKTGKZBMZNGC-HNNXBMFYSA-N 430.482 2.468 0 1 IEAF N#Cc1cnc(Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c(Cl)c1 205048192 KKXKWKYABQCEIQ-PQMHYQBVSA-N 435.835 2.148 0 1 IEAF COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@]1(O)C[C@H](CC(=O)N1CCCCC1)C(=O)C3 221648096 FHKJBYZIBNFYCZ-VCRBZLFYSA-N 426.557 2.306 0 1 IEAF COC(=O)[C@]1(Cc2ccc3c(c2)O[C@@H](C(C)(C)O)C3)OC(=O)C(O)=C1c1ccc(O)cc1 238779700 DXVJWCRTDUCRKF-HOYKHHGWSA-N 440.448 2.447 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC(C)(O)C4)c3F)C2)cc1 261087068 CSYZOOKCSIZDOY-KBXCAEBGSA-N 429.496 2.042 0 1 IEAF COC(=O)C(=O)C[C@]1(c2ccc(OC)cc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587443774 RRGNFRGHDNQYJP-WAIKUNEKSA-N 426.421 2.488 0 1 IEAF CC[C@@]1(C2=Cc3cc(OC)ccc3OC2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963226990 ZOOYNJYCIHROOF-AXHZCLLHSA-N 434.496 2.258 0 1 IEAF C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@H]2[C@H]1O 2356868887 XFMVFVNVQSZONS-ZISZTCLUSA-N 437.606 2.075 0 1 IEAF O=C(O)[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O)c1ccccc1 2128921 ARZXOGOUZVJXHQ-SFTDATJTSA-N 443.459 2.416 0 1 IEAF biogenic O=C(N[C@@]1(C(F)(F)F)C(=O)O[C@H]2CCC[C@H]21)NS(=O)(=O)c1ccccc1Cl 4127202 XBANLHASJIBGNH-IPURGOFSSA-N 426.800 2.355 0 1 IEAF COc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)NC(=O)c2ccc(F)cc2)CC1 27983737 HTTWPSWLOHYHAA-IBGZPJMESA-N 445.491 2.178 0 1 IEAF C[C@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1 28641882 YYGJCDKLQNQFNV-INIZCTEOSA-N 438.503 2.481 0 1 IEAF O=C(NCCN1CCOCC1)c1ccc(CS(=O)(=O)Cc2ccc(Cl)cc2)o1 34861191 VEGASBXBKXSQFD-UHFFFAOYSA-N 426.922 2.110 0 1 IEAF COc1ccccc1-n1c(-c2cccc3c2OCO3)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45299307 XJXFIXSWNCSMFA-UHFFFAOYSA-N 431.408 2.070 0 1 IEAF O=c1n(-c2ccc(Cl)cc2)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 72175441 IQNWOIIUFQWHSH-LJQANCHMSA-N 432.818 2.145 0 1 IEAF CC(=O)c1cccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2CCCO)c1 82191253 UNEQUPLZAVNVKL-NRFANRHFSA-N 449.511 2.455 0 1 IEAF C[C@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C 95755041 DDPBTFKHGDBZAF-GSHUGGBRSA-N 440.544 2.045 0 1 IEAF O=C(C[C@@H]1CC[C@H]2NC[C@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 95887103 GATSYQQQECLMNC-IITNATTFSA-N 426.513 2.382 0 1 IEAF Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 100287825 LRERTOYOIGJSAU-CMCWBKRRSA-N 433.533 2.472 0 1 IEAF CCOc1ccccc1NC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1 102385996 FNEVJRJRLFRQQW-LKUDQCMESA-N 441.528 2.209 0 1 IEAF Cc1ccc(CN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc5c(c3)OCO5)[C@@H]4C2=O)cc1 104428153 WBPHWHPHHILKKP-SCIUHPPWSA-N 432.476 2.322 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 195412861 UUOMSRLCASBMJS-WTSGAWDXSA-N 428.488 2.301 0 1 IEAF COC(=O)C1=C(CN2CC(OC)C2)NC(c2nccs2)=N[C@]1(C)c1ccc(F)cc1 1857572563 GZKFWTDYZPDABY-OAQYLSRUSA-N 430.505 2.305 0 1 IEAF CNCCc1cc2c(c(OC)c1CC(=O)c1ccc(OC)c(OC)c1C(=O)O)OCO2 14612405 GLKPKUBRBLNOSC-UHFFFAOYSA-N 431.441 2.327 0 1 IEAF endogenous,in-man CCCCC[C@@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)OC[C@H](O)CO 95617632 AWSHXGOINMVSGP-CWZSVGMDSA-N 426.550 2.063 0 1 IEAF endogenous,in-man C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCCC1 95694001 OPQMCYKWZYLZJV-KNKQGSTJSA-N 435.613 2.315 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CCN1Cc1cc2c[nH]ccc-2n1 100754444 ANVOFZWMCVCMCH-INIZCTEOSA-N 444.904 2.124 0 1 IEAF O=C(O)[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(n1ncc(N2CCC4(CC2)OCCO4)c(Cl)c1=O)C3 169352967 HYXRIRSXTMQTLI-QFHCLTCDSA-N 449.935 2.476 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587762643 YTMMRSXEJCTCJJ-YPMLDQLKSA-N 427.270 2.082 0 1 IEAF CCc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)OCCC3)cc1 1772639242 UCNRWMNVTIXDLX-RDYNEMLHSA-N 448.943 2.333 0 1 IEAF CC(=C[C@H](C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@@](O)(C(=O)O)[C@@H](C(=O)O)O2 2356543499 OGZGHCQBWIVONK-AAFHVLJZSA-N 448.468 2.221 0 1 IEAF COc1cc2ncn([C@@H]3[C@H]4OC[C@@H](O4)[C@@H](NC4CCC(F)(F)CC4)[C@@H]3O)c2cc1OC 2356573121 AJHCHJMCLOMGGW-SLHNCBLASA-N 439.459 2.247 0 1 IEAF COCC(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2OC(=O)Nc1ccc(Oc2ccccc2)cc1 2356862909 VCNOHIRUTREEQY-RMVXJAJNSA-N 428.441 2.325 0 1 IEAF Cn1cccc1C(=O)NCCc1ccc(OCCN2CCOCC2)c(Br)c1 43076740 UGKWROJURXRIIU-UHFFFAOYSA-N 436.350 2.471 0 1 IEAF Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@@H](C(=O)O)O3)c2nc(-c3ccco3)nn12 45287558 AFOOOKGSRGDTCL-FQEVSTJZSA-N 447.411 2.131 0 1 IEAF CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@]12c1ccsc1CCN2C(N)=O 962698285 GPMBQYJEMOWRGY-GCJKJVERSA-N 427.526 2.492 0 1 IEAF CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2C[C@@]3(OC2(C)C)[C@H](C)CC[C@H](O)[C@]13CO 2356353959 DTMIMKTZETWDJV-YBMNMIHQSA-N 432.513 2.481 0 1 IEAF Cc1ccc(N(CC(=O)NC[C@H]2CCCO2)C(=O)Cn2nnc(-c3cccs3)n2)cc1 12471076 KRLRKAASZIBLQG-QGZVFWFLSA-N 440.529 2.038 0 3 IEAF O=C(O)C[C@H](NC(=O)OCc1ccccc1)C(=O)COC1=C(c2ccccc2)C(=O)OC1 1540341 BTOQMSUXSHDZSO-KRWDZBQOSA-N 439.420 2.310 0 1 IEAF NCCC[C@H](O[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26249742 ITNUZYYBHUXMIK-ROUUACIJSA-N 426.450 2.394 0 1 IEAF C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 28826911 ANOLRYSIPZVGCW-CQSZACIVSA-N 436.497 2.041 0 1 IEAF COc1ccc2c(c1)CCN1C(=O)[C@@H]3CCC[C@H]([C@H]21)N3S(=O)(=O)Nc1ccc(F)nc1 34799831 RSZNDMJETBKFRP-HBFSDRIKSA-N 446.504 2.249 0 1 IEAF COc1cccc2c1nc(C(F)F)n2-c1cc(N2CCOCC2)nc(N2CCOCC2)n1 73160257 AHCKISAUHFHTRR-UHFFFAOYSA-N 446.458 2.435 0 1 IEAF O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@@H]12 95583795 QDFXCTMNYXBADZ-NXEZZACHSA-N 438.288 2.414 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@H]1C 95693940 BIFUFKYMXIZDEA-ZOCZFRKYSA-N 433.549 2.145 0 1 IEAF CC1(C)C(N)=N[C@](C)(c2cc(NC(=O)c3ccc(C#N)cn3)ccc2F)CS1(=O)=O 203531897 SQPMMXMVMZGIEG-FQEVSTJZSA-N 429.477 2.124 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3ccnc(-c4cncnc4)c3)cc2F)CS1(=O)=O 219594234 ILCUCDCMDXGEQH-SFHVURJKSA-N 432.506 2.211 0 1 IEAF CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCN(C(=O)N3CCOCC3)CC2)n1 222659599 FJJZLEUGBBDEIB-FUHWJXTLSA-N 446.552 2.422 0 1 IEAF CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(COC)[C@@H]1OC(C)=O)[C@@H]32 1772656177 HPNOUDFSZYZGQA-AFRKUKOGSA-N 442.556 2.115 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4C(=O)O[C@@H]5C(=O)CO[C@@H]6O[C@H]([C@@H]4[C@]56O)[C@@]3(C)CC[C@]2(C)CC1 2356569781 RONRZGSTLXBTCD-YPWCJYRWSA-N 444.524 2.053 0 1 IEAF CCOCCCN(C)C1CCN(S(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1 15942668 MVXPQIBWKNOFCK-UHFFFAOYSA-N 440.591 2.010 0 3 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1cncnc1)O2 95729358 CJRCUHMGBGRKJG-LWUSATBJSA-N 425.533 2.257 0 1 IEAF O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 95903988 PJLYZSQZMHURAL-PWRODBHTSA-N 438.590 2.101 0 1 IEAF Cc1nn(C)c2c1S(=O)(=O)N=C(c1c(O)c3ccccc3n(CCC(C)C)c1=O)N2 101831789 ANLVBIADHMEQAH-UHFFFAOYSA-N 429.502 2.356 0 1 IEAF O=C1CC[C@@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@@H]3C1 136014184 YIWJEBPTHXRHQF-ATKMYOONSA-N 437.540 2.014 0 1 IEAF COc1cccc(-n2cc(C(=O)NCCN3CCc4cc(OC)c(OC)cc4C3)nn2)c1 169341780 XKACYLGXWPZPEC-UHFFFAOYSA-N 437.500 2.081 0 1 IEAF CCOC(=O)Cn1cccc(NCc2cccn2S(=O)(=O)c2ccc(C)cc2)c1=O 653709022 KTROWAHMCCNNDE-UHFFFAOYSA-N 429.498 2.370 0 1 IEAF CN1C(=O)COc2ccc([C@@]3(CCC(=O)O)NC[C@H]4CC(=O)N(C)c5cccc3c54)cc21 963016772 CCJSQYPZFOCHIK-JBEBIEQOSA-N 435.480 2.204 0 1 IEAF CN1CCCO[C@@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 1857630927 GYCGDJCBFLWXEK-QTJGBDASSA-N 446.551 2.411 0 1 IEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(O[C@H]3C[C@@H]12)C(=O)Nc1cc(OC)c(OC)cc14 2356414034 DMXXRTAVQXGQOV-IBTDUJQFSA-N 444.484 2.011 0 1 IEAF O=C(CN(C(=O)[C@@H]1CSC(=O)C1)c1ccccc1F)NCc1ccc2c(c1)OCO2 1328223 WDBZPJJITBTJQJ-AWEZNQCLSA-N 430.457 2.484 0 3 IEAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1ccsc1 61930743 JVGFOBCYUCEWGI-SFHVURJKSA-N 444.481 2.388 0 3 IEAF CN(C)c1ccc([C@@H]2CC(=O)C[C@@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 5582420 XUWJVHFJAFWVCG-SFTDATJTSA-N 448.523 2.401 0 1 IEAF COc1ccc(CN([C@@H]2CC(F)(F)CCNC2=O)S(=O)(=O)CCC(F)(F)F)cn1 29129548 STZSCJDMNFJVNO-GFCCVEGCSA-N 445.410 2.088 0 1 IEAF COCC(=O)N1[C@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)C12CN(C(=O)C1CC1)C2 95667563 DSCNJYOKBNUMPO-FYYLOGMGSA-N 438.499 2.417 0 1 IEAF COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 95679771 FUIZAEPQMFWQLL-JLHGSKIFSA-N 447.576 2.488 0 1 IEAF COc1cccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(C)=O)O3)c1 95714273 UCUKQPKVMMJLHS-PONJGIIJSA-N 441.528 2.456 0 1 IEAF NS(=O)(=O)c1ccc(-c2cc(C(=O)N[C@@H]3CCCC[C@H]3O)cnc2OCC2CC2)cc1 103247934 NQQANJKERHAMCF-WOJBJXKFSA-N 445.541 2.218 0 1 IEAF Cc1nc2cc(-n3ncc(C(=O)c4cc5c(NC(CO)CO)cccc5[nH]4)c3N)ccc2[nH]1 150071959 XPJRQSVFOCSTQP-UHFFFAOYSA-N 445.483 2.117 0 1 IEAF O[C@H]1CCC[C@@H]1n1c2cnccc2c2cnc(Nc3ccc(N4CC[C@@H](O)C4)nn3)nc21 169706856 XJPSYESMNYRZOQ-SKDZVZGDSA-N 432.488 2.170 0 1 IEAF Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2[C@H]1CC[C@H](OCCO)CC1 261127467 KMYHNHSRXMFXAJ-QAQDUYKDSA-N 438.532 2.303 0 1 IEAF O=C(Nc1cc2[nH]nc(OC[C@@H](O)C(F)(F)F)c2cn1)N[C@H](CO)c1ccccc1 1772570382 FYABYFCEOBMOIK-ZIAGYGMSSA-N 425.367 2.115 0 1 IEAF COc1ncc(-c2ccc3ncnc(NC4CCNCC4)c3c2)cc1NS(C)(=O)=O 1857561169 SUZUMAKJLZMXFL-UHFFFAOYSA-N 428.518 2.236 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CCO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@@]3(C)CC[C@@]2(C)CC1 2356359672 PYJPOSCLPFOSMN-POUPFKFMSA-N 446.584 2.445 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O 40936073 IPIIAWQBJWTGKF-WVNMJAPOSA-N 440.588 2.207 0 1 IEAF CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 82209254 ARNGFROFXAHBGR-GOSISDBHSA-N 425.533 2.105 0 1 IEAF CN1C(=O)N(Cc2cc(F)ccc2F)C(=O)[C@]12C(=O)N(CC(=O)O)c1ccc(Cl)cc12 84711061 YVLCOFIFKUMSFF-FQEVSTJZSA-N 449.797 2.339 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@H]1C 95690532 TVGROYRLGTWDMS-YVHKJVDXSA-N 447.576 2.488 0 1 IEAF CC(C)c1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 95906158 MMFQGAJZTXOTSF-KVSKMBFKSA-N 442.969 2.332 0 1 IEAF Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc2ccc(-c3scnc3C)cc2)on1 103250401 FEFYMYQFVDBQAU-MJGOQNOKSA-N 440.525 2.236 0 1 IEAF CC(=O)Nc1ccc(S(=O)(=O)N2CCN(CCCC3C(C)=NCCN=C3C)CC2)cc1 103278457 OBIPFLABHYESIX-UHFFFAOYSA-N 447.605 2.283 0 1 IEAF CC[C@@H](C)NC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc12 618004804 KMKDRQSVRJLNHD-CQSZACIVSA-N 438.484 2.047 0 1 IEAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H]4[C@H](N)[C@H]4C3)cc2F)cn1 1772605025 RYVJJDYPFVLQDV-JIPZTSHUSA-N 425.489 2.110 0 1 IEAF C=CC=CCC(=O)O[C@@H]1C(CO)=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]13O)[C@H](C)C[C@@H]1[C@@H]2C1(C)C 2356721326 AWRJTPFCJAMATC-BCRWKCHMSA-N 442.552 2.498 0 1 IEAF COC(=O)Nc1nc2cc([S@@](=O)c3ccccc3)ccc2n1COP(=O)(O)O 29134848 LPHSMCDSQGYWPZ-MUUNZHRXSA-N 425.359 2.448 0 1 IEAF CCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C 82164992 NMPQKWXCZNCDON-AZUAARDMSA-N 444.576 2.093 0 1 IEAF O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCOCC1 95794852 QAHDLPCOZPWXEM-FCHUYYIVSA-N 438.499 2.434 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@H]1CCCO1 169697026 HZQQJAKATKCPDP-XQBPLPMBSA-N 428.577 2.383 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(-n4cccn4)c(F)cc3[nH]2)[C@H](C)O)cc1 586938692 QPYUYRFINYRPKB-HXPMCKFVSA-N 445.476 2.297 0 1 IEAF NS(=O)(=O)c1cccc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)[nH]c12 586969726 NOGUOKRUUFGYFY-UHFFFAOYSA-N 431.455 2.281 0 1 IEAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@]5(N)CCOC5)[nH]c4c3)cc2)CC1 587248142 FLUJWJZCOSYGNU-VWLOTQADSA-N 448.571 2.179 0 1 IEAF CCOC(=O)c1nn(-c2ccccc2)c(C)c1[C@]1(C)N[C@@H](C(=O)O)Cc2c1nn(C)c2C 962710230 LEKXANAQXAJIKX-HXOBKFHXSA-N 437.500 2.262 0 1 IEAF COc1cc2c(cc1OC)[C@@](c1ccccc1)(C(N)N)N(C(=O)c1ccccc1N)CC2 963145749 VKWFDIPABGHEPG-VWLOTQADSA-N 432.524 2.472 0 1 IEAF CN1[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C(=O)NC[C@H]1CCC(=O)NCc1ccccc1 2356813410 CGPDHCVTMCOGPQ-AOHZBQACSA-N 438.547 2.295 0 1 IEAF C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@@H]2[C@@H]1O 2356868885 XFMVFVNVQSZONS-UTYBRGGASA-N 437.606 2.075 0 1 IEAF CN1C[C@@H]2C[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 100380537 UOUITEHJHGABTE-NEPJUHHUSA-N 430.386 2.394 0 3 IEAF in-vitro Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccc(CN4CCOCC4)o3)nn12 13494007 GYPRVBBSXWSJFC-UHFFFAOYSA-N 444.499 2.391 0 1 IEAF CCOC(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)C(C)C 13765559 QBDKRHFVKGPFQS-IHRRRGAJSA-N 437.459 2.020 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N[C@H](CSCNC(C)=O)C(=O)OC)cs1 82071294 ABELQDXWDBILLE-OAHLLOKOSA-N 437.543 2.307 0 1 IEAF Cc1ccc([C@@H]2[C@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 169688106 KDVGUGOHNSSZFX-WOJBJXKFSA-N 426.469 2.262 0 1 IEAF O=C(O)c1nn(Cc2nc3c(Br)ccnc3[nH]2)cc1I 587184837 GDVCJQYVNSMSMP-UHFFFAOYSA-N 448.018 2.268 0 1 IEAF COc1ccc(CNS(=O)(=O)c2ccc3c(c2)/C(=C/c2cnc[nH]2)C(=O)N3)cc1OC 653751821 ZGOCJQADASOZEP-IUXPMGMMSA-N 440.481 2.398 0 1 IEAF COc1ccc(CCNC(=O)c2cnc(C(F)(F)F)nc2N2CCOCC2)cc1OC 1857774157 IQUGKELBBZMTCV-UHFFFAOYSA-N 440.422 2.322 0 1 IEAF CC(C)C[C@@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C 1911585894 ZAPAOYNOGTWFDN-ILWGZMRPSA-N 444.620 2.255 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2I)C[C@@H]2CC[C@H]1N2C 13650643 AWVUKTXSKOZAJP-OADPDTJPSA-N 429.254 2.472 0 1 IEAF COc1cc([C@@H]2OC[C@]3(O)[C@@H](c4cc(OC)c(O)c(OC)c4)OC[C@H]23)cc(OC)c1O 14510231 NUUIAGCSVIKGMC-CDEPPOAISA-N 434.441 2.322 0 1 IEAF biogenic O=S1(=O)CCC2=C1C(c1ccc(F)c(Br)c1)C1=C(CCS1(=O)=O)N2 26941610 PSLOVVIEOUJSOV-UHFFFAOYSA-N 434.308 2.335 0 1 IEAF O=C(CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NCc3ccc(F)cc3)CN21)NCc1cccs1 35442287 GPPCNMJLVKZWOM-NSHGMRRFSA-N 430.549 2.015 0 1 IEAF biogenic CCCSc1nc(N2CCOCC2)ncc1C(=O)NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2 95579531 ALDSAFDPVLSGCJ-AFIVYDLSSA-N 432.590 2.485 0 1 IEAF C[C@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 95675629 KEJHSICNFQEVJK-MTOHEIAKSA-N 448.516 2.056 0 1 IEAF O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 95904797 ZQAKPDPMAYCBJK-DBVUQKKJSA-N 431.439 2.477 0 1 IEAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 95905692 ALLIEMYEDHFUCC-OTWHNJEPSA-N 439.940 2.303 0 1 IEAF O=C(NC[C@H](O)CO)c1ccc2c(c1)nc(COCc1ccccc1)n2Cc1ccco1 96910697 FUBRAVZNMKBKHZ-IBGZPJMESA-N 435.480 2.477 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CC[C@H](CCO)C3)c2c1=O 115624822 AMBVLXUJQPWHPM-QGZVFWFLSA-N 435.528 2.041 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@H]2C[C@@H](C(=O)O)N(Cc3ccccc3)C2)nn1 1772597467 NDBHJVWINJBXCC-KKMKJULVSA-N 432.484 2.412 0 1 IEAF COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@@]4(OC)N(C[C@H](C)C1=O)C[C@@H](CC3)[C@@]24C 2356444427 VBQJEMGOKDQRDF-OISLJNBSSA-N 425.481 2.460 0 1 IEAF COc1cc(C[C@H](CO)[C@H](C[C@@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356545905 RUDBRFGTOROPKF-HUMBJQDLSA-N 426.506 2.356 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cc[nH]n3)ncc(F)c12 33819946 CYOQMBNHLJSFSC-UHFFFAOYSA-N 446.442 2.259 0 1 IEAF COc1ccc(C(=O)N2C[C@@H]3CN(c4ncc(Cl)c(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 116822754 DNQSPTYXCKTZSR-GASCZTMLSA-N 439.907 2.236 0 1 IEAF Cc1cc2c(-c3cncc(NS(C)(=O)=O)c3)cnc(NC3CCNCC3)c2nc1O 473120087 BUBIAKKEMGHXTA-UHFFFAOYSA-N 428.518 2.241 0 1 IEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3ncc(I)cc3[nH]2)c1 586936606 SGQQVTCYULMCMN-UHFFFAOYSA-N 431.259 2.244 0 1 IEAF COc1cc2c3c(c1)O[C@](C)(c1cccc(S(=O)(=O)N4CCOCC4)c1)[C@@H](C2)C3=O 587448339 IIPVOPNRRCFSSU-PGRDOPGGSA-N 429.494 2.379 0 1 IEAF O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963226881 YHOTXPBARNVILR-DEYYWGMASA-N 439.859 2.090 0 1 IEAF N=c1cc(Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)n2nc(S)sc2n1 1857639754 GUXMTLYEMORPHS-UHFFFAOYSA-N 431.528 2.498 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCCCN1CCN(c2cccc3c2OCCO3)CC1 1857774300 OBKOPYWWTQOWFZ-MTIDIVMFSA-N 437.540 2.167 0 1 IEAF CC(C)(C)NC(=O)CN(C(=O)C[S@@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 4400685 KHIWRUDTNKRDAD-WJOKGBTCSA-N 447.532 2.461 0 3 IEAF CCOC(=O)[C@@H]1CSCCS(=O)(=O)N1Cc1cc(F)ccc1Br 72104815 IJRMNZUWRNGFEH-ZDUSSCGKSA-N 426.329 2.399 0 3 IEAF CN(C)c1ccc([C@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 1860527 XUWJVHFJAFWVCG-NHCUHLMSSA-N 448.523 2.401 0 1 IEAF NCCCCCCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 22940198 CQNPRDHSFCMGJO-UHFFFAOYSA-N 436.560 2.449 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 26474246 BRRFCLVJGYVEQO-CBBWQLFWSA-N 429.254 2.472 0 1 IEAF CCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NCC 49053726 QIOHCCOMJHNRJD-INIZCTEOSA-N 425.938 2.193 0 1 IEAF C#CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 142522173 GJWXERQAKHDRRB-OAQYLSRUSA-N 427.411 2.488 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@@H](C)O)cc1 586937830 NSVXWGFAYVTDML-YMTOWFKASA-N 430.408 2.386 0 1 IEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2c(S)nc(S)nc2[nH]1 587129704 ZLXIKOLTTHLCAZ-UHFFFAOYSA-N 427.437 2.354 0 1 IEAF COC(=O)[C@@]1(C)[C@H]2CC(=O)[C@@H]3[C@@H](C)C(=CC(=O)NCCN(C)C)CC[C@H]3[C@@]2(C)CC[C@H]1O 2356500416 TZEBUKDWHLEPOL-LIKYBBPKSA-N 448.604 2.182 0 1 IEAF C[C@@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 14958913 OZHVWSQMEOKMIE-XDMRBOTDSA-N 425.373 2.279 0 1 IEAF Cc1ccccc1OC[C@@H](O)CNCCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27100082 MKSAJBJQAOHVDL-XLIONFOSSA-N 438.528 2.213 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1N=C(C(C)C)S[C@H]1C(=O)O 27518190 MWMUSAHOKBOHGL-QOKNQOGYSA-N 435.546 2.485 0 1 IEAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@H](O)COc1cccc(Cl)c1 40423223 HKIVGBPAUZBIOJ-DSZRGWOWSA-N 428.909 2.408 0 1 IEAF O=c1ccn([C@H]2CC[C@@H](CO[P@@](=O)(Oc3ccncc3)Oc3cccnc3)O2)c(=O)[nH]1 43066948 OZUWZOYIAZVIKB-MCGGYZEXSA-N 446.356 2.287 0 1 IEAF COc1ccc(-c2cc(=O)c3c(O)c([C@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)cc3o2)cc1O 85999743 VOXHZFGNVVKUEG-SAHPVPRJSA-N 430.409 2.157 0 1 IEAF C[C@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 95675118 KEJHSICNFQEVJK-SKRQURTPSA-N 448.516 2.056 0 1 IEAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884908 RGZNDINNLTYFNJ-AFXVXQJMSA-N 438.609 2.109 0 1 IEAF CCCC[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12 96927643 XSDBSPGGXVGKAK-WMLDXEAASA-N 447.438 2.133 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@@H]1C 102839369 HHEXKUYCUJXZBF-AXVLYNTPSA-N 437.533 2.272 0 1 IEAF CCc1cccc(CNC(=O)[C@@H]2C[C@H](N)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 148215421 KOCZTZZBTIESCW-UWJYYQICSA-N 448.527 2.380 0 1 IEAF Cn1cnc(-c2ccc(N)c(NC(=O)c3ccc(N4CCC5(CC4)CNC(=O)O5)nc3)c2)c1 169352289 DSWYPLARVKNCBB-UHFFFAOYSA-N 447.499 2.395 0 1 IEAF O=C(NCCO)c1ccc(-c2ccc3[nH]nc(-c4cc(N5CCOCC5)ncn4)c3c2)cc1 225574031 XZISLLZLCQLDHP-UHFFFAOYSA-N 444.495 2.246 0 1 IEAF O=CN1CC[C@@]23C[C@H](O)CC[C@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 254075419 FTZMSPHFNOLQKD-SSYAZSBWSA-N 447.495 2.346 0 1 IEAF O=C(N[C@H]1C[C@H](O)CC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 1857642963 WEOLWRJLCJEKBL-CBQOVEMMSA-N 431.496 2.274 0 1 IEAF O=C(O)C[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356345336 OAKYLUZCLMAYLB-GTAWCEEGSA-N 427.545 2.007 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](OC(C)=O)[C@@]4(C[C@@H]21)c1ccc(OC)cc1N(C)[C@@H]34 2356782102 CSHQJCAFJIVSSZ-FMJPLOLTSA-N 438.524 2.279 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(CO)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 14681010 NHDJKXOHRUHQHG-JKXXITNYSA-N 432.513 2.331 0 1 IEAF endogenous,in-man C[C@H]1O[C@@H](n2cc(F)c(NC(=O)Oc3ccc(Cl)cc3)nc2=O)[C@@H]2OC(=O)O[C@H]12 84670107 SSWLKKAKXQEFRI-UBPLGANQSA-N 425.756 2.468 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)c2ccncc2)C1 95666018 PQJXGUHOZSBWAV-FQEVSTJZSA-N 446.507 2.251 0 1 IEAF CCCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC 95878926 MVQYONCAWZBASG-HVJHZFLKSA-N 427.545 2.232 0 1 IEAF CS(=O)(=O)Nc1cc(NS(C)(=O)=O)cc(-c2cc(-c3ccccc3)cc(=O)n2O)c1 95921406 AKWZUDBNQVPNBK-UHFFFAOYSA-N 449.510 2.163 0 1 IEAF in-vitro COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 101937144 YFQAWMHNJIJEKU-MODKIIIVSA-N 442.468 2.461 0 1 IEAF C[C@@H]1CN=C(c2ccc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)[nH]2)O1 208986542 WZWSSFJSZJKBGN-XLFHBGCDSA-N 441.966 2.367 0 1 IEAF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2c(O)nc(O)nc2[nH]1 586956272 CRWBVTYVOVAXIC-UHFFFAOYSA-N 439.453 2.191 0 1 IEAF COc1cc(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)cc(Cl)c1O 587046263 OKWDWPUUYSUKMZ-UHFFFAOYSA-N 430.892 2.348 0 1 IEAF CNc1ncc2cc(-c3ccc(N4CCN(C)C4=O)cc3Cl)c(=O)n(CCCN)c2n1 653863933 AZIVSHFSSVJZDL-UHFFFAOYSA-N 441.923 2.374 0 1 IEAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@H]1[C@@H](O)COP(=O)(O)O 961752336 VKWSVBSDAOQXPA-RDJZCZTQSA-N 428.422 2.349 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@@H](CNC(=O)c3cncnc3)C=C2C)CC1 2356319577 NNPYXSFKBUPJPL-VWPQPMDRSA-N 441.576 2.142 0 1 IEAF CC(C)C[C@H](NC(=O)COc1ccc(-c2ccccc2)cc1)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819220 LHQCOKQWWLEOQS-MZLICYQSSA-N 440.496 2.013 0 1 IEAF CC(C)C[C@H](C(=O)N[C@@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 15956967 XIIBSDVOMUVKRA-IWBYOKNISA-N 440.500 2.207 0 1 IEAF biogenic CN(CCc1ccc(NS(C)(=O)=O)cc1)CCc1ccc(NS(C)(=O)=O)cc1 34334394 UCVBQUGRYKDHKP-UHFFFAOYSA-N 425.576 2.147 0 1 IEAF COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F 95578438 QJVPCJFBAVEYNN-MVXGGCNYSA-N 429.345 2.135 0 1 IEAF CCNc1nc2c(c(C(N)=O)n1)CN(C(=O)CCc1ccc(OC(F)(F)F)cc1)CC2 95588912 RJTJMAVCPOTSLB-UHFFFAOYSA-N 437.422 2.423 0 1 IEAF Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 95663803 FAEZEZMAIFLOTA-WMTXJRDZSA-N 428.492 2.263 0 1 IEAF CN[C@H]1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1 114197194 ASMWJUHBWHAICQ-YADHBBJMSA-N 440.569 2.248 0 1 IEAF Cn1c(=O)n(CC(C)(C)C)c2ccc(N3C[C@@H]4CC[C@H]3CN4C(=O)c3csnn3)nc21 198467310 UXKSQZZBCSFGQA-KBPBESRZSA-N 441.561 2.126 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N[C@H]4CCCc5ccccc54)nc23)N1 205019012 VIHPHOJREHWUNF-IUPCOXQMSA-N 430.472 2.368 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Oc4cc(Cl)ccc4F)nc23)N1 205039926 YTJDIBHUZDZUQW-XGICHPGQSA-N 429.799 2.464 0 1 IEAF OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OCC=CCCCC3)[C@H](O)[C@@H](O)[C@@H]1O 254042117 BLIXKORVTSPRQD-RTJMFUJLSA-N 440.536 2.454 0 1 IEAF COc1ccc([C@@H]2C[C@H](O)[C@@H](O)[C@H]2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 2356287645 NAXNVSZMKPIQTM-XLAORIBOSA-N 431.432 2.270 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@@H]6CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@]2(C)[C@@H](O)C1 2356725298 CWGULWSLLTUZPK-KFQGFSOFSA-N 446.540 2.002 0 1 IEAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@@H](O)[C@H]2O1)NCc1ccc(F)cc1 2356737553 CMHOMNWLJQKQGW-GPEJODLCSA-N 449.504 2.001 0 1 IEAF CN(Cc1ccccc1)C(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1 13678875 TUBWSDBFGOLBIV-UHFFFAOYSA-N 432.480 2.270 0 1 IEAF O=C(NCC1(CC2CC2)CN(S(=O)(=O)c2cn[nH]n2)C1)c1ccc(Cl)cc1Cl 40413600 NBXFRCJXQUHYCK-UHFFFAOYSA-N 444.344 2.332 0 1 IEAF Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1 95889300 TWAPEWVDHQLIDV-SKDZVZGDSA-N 429.429 2.091 0 1 IEAF COC(=O)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104084435 BRIMKIDJGFBRBL-INIZCTEOSA-N 429.432 2.420 0 1 IEAF N=C(N)NCCC[C@H](NC(=O)c1c[nH]c(C(c2ccccc2)c2ccccc2)n1)C(=O)O 299838638 VQSBEOLLSPCBBL-KRWDZBQOSA-N 434.500 2.036 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@H]1CC=CCCCC(=O)OC(CO)CO 2356343423 OCYWGBZEVKVWBQ-VMXMFDLUSA-N 426.550 2.063 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 61926521 NXAQSQUQCXQAKG-NRFANRHFSA-N 428.510 2.223 0 3 IEAF Cn1cc(C(N)=O)c2c1-c1nc(NC3CCN(C(=O)c4ccccc4)CC3)ncc1CC2 64527517 AFMWZFUPVUGJPF-UHFFFAOYSA-N 430.512 2.396 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C 95679658 WOSANDNCOYBBEC-ZSDSOXJFSA-N 431.533 2.388 0 1 IEAF COCC(=O)N(C)C[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95701176 LYUORSVQLKBORB-FVJLSDCUSA-N 445.560 2.364 0 1 IEAF O=C(NC1CCCC1)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95880348 KARYVAJVJJMFJS-IQFVJIFQSA-N 448.567 2.343 0 1 IEAF O=C(c1ccccc1-n1nccn1)N1C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@H]2C1 116823872 HHPWSTKAICSQBO-ZIAGYGMSSA-N 429.406 2.285 0 1 IEAF C[C@@H]1C[C@@H](CS(=O)(=O)N2CCC(CO)CC2)CC[C@@H]1N(C)c1ncnc2[nH]ccc12 117610929 HAQQYQCPSPKLNR-AYBZRNKSSA-N 435.594 2.233 0 1 IEAF COC(CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC 149677502 AVYIORKUKBQLOA-KDURUIRLSA-N 446.592 2.213 0 1 IEAF CC(C)(C)[C@H]1C(=O)[C@@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccccn1 169719343 XVYLGORKWZSPMZ-FUHWJXTLSA-N 426.498 2.046 0 1 IEAF CS(=O)(=O)C1(c2nc(-c3cc(F)cc4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1 218341266 QILFSWGIDUVYFO-ZDUSSCGKSA-N 444.488 2.395 0 1 IEAF CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 253640996 NELLEAIMLKACPD-AABGKKOBSA-N 435.590 2.186 0 1 IEAF COc1ccc(NS(=O)(=O)c2ccc3[nH]c(-c4cc(S(N)(=O)=O)c[nH]4)nc3c2)cc1 586931730 BOKKCTCNUIBGDA-UHFFFAOYSA-N 447.498 2.015 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(N)c(N)cc3[nH]2)C(C)C)cc1 586932853 JVVUEQVLGNDIEE-LJQANCHMSA-N 430.534 2.039 0 1 IEAF COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2cn1 586946411 PVZCHQXVXUFXQU-CYBMUJFWSA-N 430.486 2.177 0 1 IEAF CC(C)Nc1cc(-n2ncc3cc(Cl)cnc32)ncc1C(=O)NC[C@@H](F)C1(O)COC1 1772649424 LEFVETSDWIDJMU-MRXNPFEDSA-N 448.886 2.118 0 1 IEAF O=C(Cn1c(=O)c(Oc2ccccc2)nc2ccccc21)NS(=O)(=O)C(F)(F)F 1857535690 SGCNVYSCEUWBSC-UHFFFAOYSA-N 427.360 2.155 0 1 IEAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 1857623220 YFQAWMHNJIJEKU-ODXCJYRJSA-N 442.468 2.461 0 1 IEAF COc1cc2c(c(O)c1COCc1c(OC)cc3c(c1O)C(=O)OCC3)C(=O)OCC2 2356787532 BLQFWMPMIIOMSF-UHFFFAOYSA-N 430.409 2.258 0 1 IEAF C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 61895851 CMISRYWPCFDHSL-KRWDZBQOSA-N 435.329 2.219 0 3 IEAF CCCN(C)Cc1ccc(C(=O)N2CC[C@H]3[C@@H]2[C@@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 27306366 NELLEAIMLKACPD-XUVXKRRUSA-N 435.590 2.186 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc(C=O)s4)CC3)c(F)c2)C(=O)O1 28861906 IWEZSIGBBHLHDR-INIZCTEOSA-N 446.504 2.488 0 1 IEAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888448 GCTHDWJSWMFTNQ-WDYCEAGBSA-N 432.521 2.123 0 1 IEAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CC[C@@H](O)C2)C1 144806878 YTXXGMPZAVDWEG-IVZQSRNASA-N 446.425 2.130 0 1 IEAF C=C(Cl)C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@]31CCN(CC1CC1)[C@H]2C5 169358075 MVSBLZZXOLNTIU-CZEIZJIKSA-N 428.916 2.402 0 1 IEAF Cc1cc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)ccc1F 208094801 VSQGKMRISRGUMK-UHFFFAOYSA-N 429.404 2.067 0 1 IEAF C[C@]1(c2sc(-c3cncc(C#N)c3)cc2Cl)CS(=O)(=O)[C@@]2(CCOC2)C(N)=N1 217750271 AGTITCAYQXIUEM-QZTJIDSGSA-N 436.946 2.495 0 1 IEAF CN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CC2(O)CCOCC2)C1 299838313 QBXLXBAKKFKYNZ-UHFFFAOYSA-N 435.590 2.254 0 1 IEAF Cc1ccnc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 586937647 SHIGNVHJWSIHKH-CQSZACIVSA-N 442.950 2.374 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)O2 587398954 GWFSQXUZBGGSDY-TYBLODHISA-N 448.523 2.194 0 1 IEAF C[C@]1(n2cc([C@@H]3N[C@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)CCS(=O)(=O)C1 962705804 FEQZEBJNIHDFNY-BQFCYCMXSA-N 427.448 2.152 0 1 IEAF COC1(OC)CCN(C(=O)OC(C)(C)C)C[C@]12NCCc1ccc(C(=O)N(C)C)cc12 962932519 QLDPBCTVFXDSBT-JOCHJYFZSA-N 433.549 2.359 0 1 IEAF CCCOC(=O)c1ccccc1OS(=O)(=O)NC(=O)Nc1nc(C)cc(Cl)n1 1857539424 GXWGNLYPKZKJQG-UHFFFAOYSA-N 428.854 2.451 0 1 IEAF CO[C@H]1O[C@H]2C[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@@]3(O)[C@@H]3CC[C@@]4(O)C[C@@H](O)CC[C@@]14[C@@H]23 2356534791 QSSCMAMORZNLEN-KZODPBQISA-N 446.540 2.318 0 1 IEAF Cc1ccc(C)c(S(=O)(=O)N2CCCC[C@H]2CCNC(=O)C(=O)NCc2ccco2)c1 9749331 PPJFMRFTIMZKDZ-SFHVURJKSA-N 447.557 2.262 0 3 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 13781914 VCEDGOPEEROYHX-ZWOZIKMKSA-N 436.501 2.374 0 1 IEAF C[C@@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29128333 MPQYEOKPXPVCDR-GFCCVEGCSA-N 441.415 2.348 0 1 IEAF CNC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1 40393439 NMKHQXBPIUIFEA-UHFFFAOYSA-N 431.496 2.391 0 1 IEAF CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@@H](C)[C@H](OC)CN(C)C2=O 95691227 WSQGAZSPVHYFJA-JXXFODFXSA-N 449.548 2.014 0 1 IEAF COC(=O)C1=C2[C@]3(O)C[C@H]4C[C@H]5[C@@H]3CC[C@@H](C)N5[C@@]24[C@H]2CCC[C@@H](OC)[C@@H]2[C@H]1OC(C)=O 255260266 PYUZIRPURXLJCM-KKVAJYICSA-N 445.556 2.209 0 1 IEAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 1857623219 YFQAWMHNJIJEKU-MPBGBICISA-N 442.468 2.461 0 1 IEAF COCC(=O)NC[C@@H]1C=C(C)[C@@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)C[C@H]1C(C)C 2356861867 PYNXULCPLIDLFE-FSSWDIPSSA-N 443.612 2.300 0 1 IEAF Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 12645229 RUHWNESPTVCFNF-UMCMBGNQSA-N 436.464 2.042 0 3 IEAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1cccs1 61930444 OXCFYTJLRSWJIX-GOSISDBHSA-N 444.481 2.388 0 3 IEAF COCCN1C(SCC(=O)Nc2nnc(C)s2)=NN/C1=C1\C=Nc2ccccc21 104007984 AIJRZUBTNJZGOL-SSZFMOIBSA-N 429.531 2.426 0 3 IEAF CC(C)(C)O[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 13486967 RHNULCWVJCENCM-JQVVWYNYSA-N 439.512 2.280 0 1 IEAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)n1 15672650 BMOBXFGWRSVRJU-SXLOBPIMSA-N 429.590 2.245 0 1 IEAF biogenic CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@@H](C)C(=O)O 15959541 QBLHGVZHHUCVBA-TVSHIAKJSA-N 446.500 2.081 0 1 IEAF biogenic COc1cc2cncc(Cc3nc4c(c(=O)n(C)c(=O)n4CC(C)C)n3C)c2cc1OC 28881927 LUGIPRYODPEONB-UHFFFAOYSA-N 437.500 2.246 0 1 IEAF Nn1c(SCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2cccnc2c1=O 59855859 SPBSBKPLXWUEGQ-UHFFFAOYSA-N 447.568 2.358 0 1 IEAF COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H](CO)N2C(=O)C1CC1 95666954 NAJFRIOEGOBBGE-GGAORHGYSA-N 438.499 2.417 0 1 IEAF COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO 95864948 VOGWNLNBNYBZJH-OAQYLSRUSA-N 435.524 2.452 0 1 IEAF O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO 95905473 QZSZBTGLPLZCGV-FHWLQOOXSA-N 429.521 2.160 0 1 IEAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cnc(C(F)(F)F)[nH]c-3n2)c1 587231769 QHEISQOXDSUMRS-UHFFFAOYSA-N 436.394 2.271 0 1 IEAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@@H]1c1ccc(OCCN2CCOCC2)cc1 1911582017 WYRRSMDDEYVOMD-NRFANRHFSA-N 440.496 2.361 0 1 IEAF CC1(C)O[C@@H]2[C@H](CO)O[C@@H]3[C@@]2(O1)C(=O)N1c2ccccc2C(=O)[C@@]31c1c[nH]c2ccccc12 2356747645 KRWUDKFCELFAOW-WHKDXPTRSA-N 446.459 2.256 0 1 IEAF O=C(NC1CCCCC1)N1CCN2C(=O)[C@@H]3C[C@H](SCc4ccco4)CN3C(=O)[C@H]2C1 36364804 NWBVUFRNKSZVCR-GBESFXJTSA-N 446.573 2.051 0 1 IEAF biogenic CCOc1cc([C@@H](CC(N)=O)N2C(=O)c3cccc(NC(C)=O)c3C2=O)ccc1OC 40409180 QTRQLGKXSVQJNS-MRXNPFEDSA-N 425.441 2.265 0 1 IEAF CCOC(=O)Cn1cc(-c2cccc(NC(=O)c3cn(Cc4ccccc4)nn3)c2)nn1 95596884 GQKHWQTYPAMFEA-UHFFFAOYSA-N 431.456 2.400 0 1 IEAF O=C(N[C@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 95677198 AVWHUTQXLFJWQV-XPWALMASSA-N 437.540 2.064 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95901651 KRQAAGOFZVBHDO-GOSIJUEPSA-N 445.560 2.020 0 1 IEAF O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO 95905314 MJAFNQKPRSYMCV-QYZOEREBSA-N 447.511 2.299 0 1 IEAF CC[C@H]1C(=O)c2cc(OC)c(OC)cc2[C@]2(C(=O)[C@]3(C(=O)OC)CCCC=C3[C@@H]2O)N1C 238769652 PGKFHOZQGYXNPU-WAYILSJASA-N 443.496 2.019 0 1 IEAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4ccc(C(=O)OC)nc4[nH]3)c2)o1 586923740 UAIXPNIVOAWYEY-UHFFFAOYSA-N 427.442 2.331 0 1 IEAF CCOC(=O)c1nn(-c2ccccc2)c(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2c1nn(C)c2C 962710226 LEKXANAQXAJIKX-GAJHUEQPSA-N 437.500 2.262 0 1 IEAF CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@H](C)CC)c12 15956523 DQPBJOLIGRNDDX-PEBXRYMYSA-N 446.500 2.164 0 1 IEAF biogenic CC(=O)n1cc(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c1 53295014 KCFRQOFHZLOFQG-UHFFFAOYSA-N 447.204 2.289 0 1 IEAF NC(=O)[C@@H](CCC(F)(F)F)N(CCc1ncon1)S(=O)(=O)c1ccc(Cl)cc1 84689205 ZDXONHJLNLMWIQ-GFCCVEGCSA-N 440.831 2.153 0 1 IEAF CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC 95880694 CBZMTGHWOTXQKF-HVJHZFLKSA-N 441.503 2.081 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C)c1ccccc1 95880858 DLQLDMLKKPQOHY-MZWZOQGZSA-N 444.535 2.381 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884909 RGZNDINNLTYFNJ-ACESQOTJSA-N 438.609 2.109 0 1 IEAF COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@H]1COCC[C@@H]1N1CC[C@@H](O)C1 118606096 DBLRCMREIKQWNT-RDBSUJKOSA-N 434.480 2.390 0 1 IEAF CO[C@@H]1[C@@H](F)CN(C(=O)Cn2nc(C(C)=O)c3ccccc32)[C@@H]1C(=O)NCCC(C)(C)C 210588415 UDFDOVCHDNZDFF-ORYQWCPZSA-N 446.523 2.355 0 1 IEAF Nc1ncnc(N2CC[C@@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1cccc(F)c1 219318063 SWYWXASTFIRRGJ-JOCHJYFZSA-N 442.445 2.481 0 1 IEAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(CNS(C)(=O)=O)oc3C)[nH]c2c1 586945857 MVTDPFFQVFEJBS-UHFFFAOYSA-N 440.547 2.259 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C[C@H](C)[C@@H]2C 961789725 VECUGHHWPMAJAH-CEAUZCEZSA-N 449.551 2.249 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@@H]1C 2356308884 HFGCQFMPWRGLET-HNISQRIDSA-N 438.609 2.214 0 1 IEAF COc1cc([S@](=O)c2nc3c(N)ncnc3n2CCOC(C)C)cc(OC)c1OC 13642841 LZBKQLFHWFTCPX-SSEXGKCCSA-N 435.506 2.026 0 1 IEAF O=C(NCc1ccco1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1 66262285 GPCPOTWCVDGCDE-LJQANCHMSA-N 442.522 2.490 0 1 IEAF CCC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 95880198 GXHNZDFPQPSFOO-MYSJAJEPSA-N 449.551 2.428 0 1 IEAF O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903224 CEDMVILSAFEDMB-HLIPFELVSA-N 433.505 2.142 0 1 IEAF COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccccc3)c1-2 112931117 DJQCYLXTSKHWDY-UHFFFAOYSA-N 439.493 2.308 0 1 IEAF O=c1nc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)[nH]o1 222035542 AXKLCPXLFKOCBI-UHFFFAOYSA-N 445.439 2.036 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@H](C)O)cc1 586936175 HUAJSZGGDPWOQP-TVQRCGJNSA-N 441.307 2.129 0 1 IEAF Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182369 OUGQQFKALSZWIX-GUYCJALGSA-N 430.814 2.037 0 1 IEAF COCCOc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(CO)c12 1772586084 FRMDJBPAKLUTOC-SFHVURJKSA-N 429.477 2.109 0 1 IEAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@H]3CNS(C)(=O)=O)n1 2356811282 BMOBXFGWRSVRJU-YSIASYRMSA-N 429.590 2.245 0 1 IEAF O=C(COC(=O)CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(Cl)cc1Cl 9509669 XIHVFNWAXUSTFH-UHFFFAOYSA-N 428.272 2.017 0 3 IEAF CC(C)C[C@H](CSCC(=O)O)NC(=O)[C@@H]1C(=O)CCN1C(=O)OCc1ccccc1 28009716 ZLVZBQCDUHFVII-APWZRJJASA-N 436.530 2.315 0 1 IEAF CC(C)C[C@H](O[P@](=O)(O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 29343933 HXDXVKHKXNKZKA-DZKIICNBSA-N 444.421 2.465 0 1 IEAF C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3cc(F)ccc32)C1)C(=O)O 71296776 SHSGVWNTSAKSFC-DYHNYNMBSA-N 444.488 2.082 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 95600860 YCXJMJHOMLCSIN-JBIZMDSKSA-N 439.512 2.174 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1Cc1ccccn1 95884506 ARIBYWLZPORNAU-CJITYUMSSA-N 448.567 2.453 0 1 IEAF O=C(C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1)NCC1CC1 95900920 LGHYMYOTKHNHQJ-GUBFDYSESA-N 437.496 2.245 0 1 IEAF COCCOc1cc(C(=O)O)nc2c(-c3cc(O)cc(F)c3)nc(N3CCOCC3)nc12 143030257 RATAUKDCFQFRDZ-UHFFFAOYSA-N 444.419 2.097 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](C=C(CO)[C@@]23O)CC(C)(C)[C@H]4O)c(O)c1 257492364 NHDJKXOHRUHQHG-NMZULNGRSA-N 432.513 2.331 0 1 IEAF endogenous,in-man Cc1c(F)c(N2C[C@H]3C[C@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 299812812 WTPPNSARDCVKJY-NEPJUHHUSA-N 430.386 2.360 0 1 IEAF CCOC(=O)c1ccc2nc([C@@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2c1 586934231 DCANERUEUNCBKH-XIKOKIGWSA-N 433.486 2.149 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@H](C)O)cc1 586938292 WFAIJMDFBCURQN-BUXKBTBVSA-N 433.486 2.133 0 1 IEAF Cc1nc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cn(C)c1=O 1772606194 QTPAUKINCRQDAU-UHFFFAOYSA-N 429.528 2.301 0 1 IEAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O)c1ccc2c(c1)OCO2 2356471428 PHYWOKBIYYHKLF-CDMIOBSGSA-N 437.452 2.346 0 1 IEAF CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)N[C@@H]1C(=O)N(C)N=Cc2ccccc21 1553183 FQJSJLGCMZSZQJ-ICSRJNTNSA-N 426.542 2.485 0 1 IEAF CCOC(=O)N1CCN(C(=O)c2ccc3c(=O)n(C[C@H]4CCCO4)c(=S)[nH]c3c2)CC1 8659887 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CO[C@H]1[C@H](C)O[C@@H](Oc2cccc(CCCCCCCCC(=O)O)c2N)[C@H](O)[C@@H]1O 238758732 QBDYOKIMEDJTMQ-DJZWADDQSA-N 425.522 2.487 0 1 IEAF Cc1c(C(=O)N2[C@H]3CC[C@H]2CN(c2cccc(F)c2)C3)cnn1-c1nc(=O)c2cccn2[nH]1 1857593683 BGIPEJAJIYLXKZ-ROUUACIJSA-N 447.474 2.149 0 1 IEAF CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356568774 OZVKZCJKXSPBOI-KWQRIIFPSA-N 446.496 2.351 0 1 IEAF COc1cc2c(c3c1OCO3)-c1c(cc(OC)c3c1OCO3)C(=O)N(CCN(C)C)C2 84758416 XMOMHNZBJPPTKK-UHFFFAOYSA-N 428.441 2.346 0 1 IEAF CNc1cc(-c2cc(NC(=O)[C@H](Cc3ccc(F)cc3)NCc3c[nH]nn3)n(C)n2)ccn1 96284436 JMPSEFXATHMJIG-IBGZPJMESA-N 449.494 2.121 0 1 IEAF O=S(=O)(Nc1ccnn1-c1ccccn1)c1ccc(S(=O)(=O)C(F)(F)F)cc1 146226281 SOKMIORTCZJPRP-UHFFFAOYSA-N 432.405 2.362 0 1 IEAF NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 149354657 RUPHOSKJXJYHAD-SFHVURJKSA-N 430.262 2.204 0 1 IEAF CN1[C@@H](c2ccc(F)c(CN3CCNCC3)c2)c2ccc3cccnc3c2NS1(=O)=O 205634509 HBOFOUXERDLJKP-QFIPXVFZSA-N 441.532 2.471 0 1 IEAF Cc1cccc2c1O[P@](=O)(OC[C@@H]1C[C@H](O)[C@@H](n3cnc4c(O)ncnc43)O1)OC2 253700733 LILMKTKATZAEQA-GWOPUDCCSA-N 434.345 2.223 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccnc(Br)c3[nH]2)[C@@H](C)O)cc1 586936173 HUAJSZGGDPWOQP-RNCFNFMXSA-N 441.307 2.129 0 1 IEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O 587495163 ZUVKMGXDWYOGGW-TZIWHRDSSA-N 431.466 2.293 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@@H]6CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 2356725300 CWGULWSLLTUZPK-QSMUNFDQSA-N 446.540 2.002 0 1 IEAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4039579 OGNMBBIWMZRJFE-JTHBVZDNSA-N 441.528 2.368 0 1 IEAF Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCc4ccc(F)cc4)cc3)cc2n(C)c1=O 13678862 YFBNYRAFLFBXLP-UHFFFAOYSA-N 436.443 2.067 0 1 IEAF COc1ccc2nc(CN(C)C[C@@H](O)COc3ccc(NS(C)(=O)=O)cc3)ccc2c1 26966190 ZBTLKBASCRAUID-LJQANCHMSA-N 445.541 2.487 0 1 IEAF CC(C)OC(=O)N[C@H](Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)C(=O)O 29248074 XOCAITJQZBYGFQ-QGZVFWFLSA-N 427.461 2.375 0 1 IEAF COC(=O)Cn1c(=O)c(NC(=O)c2ccccc2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82209717 ZOLRATATLBKCRY-KRWDZBQOSA-N 440.500 2.200 0 1 IEAF O=C(Cc1ccncc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95675265 WUPYLLMMUFNJPD-AGHHOFFYSA-N 439.491 2.137 0 1 IEAF C[C@@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 95880281 MKBSCBJKWZMPPS-GKOPTACNSA-N 430.508 2.039 0 1 IEAF Cc1c(Cl)cccc1S(=O)(=O)Nc1n[nH]c2c1CCN(CC1CCNCC1)C2=O 96916172 JUXDCCNECYUDAA-UHFFFAOYSA-N 437.953 2.170 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 100065978 PSFYSFYPFBYYCS-GDEBTYKGSA-N 438.494 2.278 0 1 IEAF COC(=O)N1CCC(C)(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 169349362 GFUMOPVVRFRDRF-UHFFFAOYSA-N 436.578 2.063 0 1 IEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 195450061 NWSJRKVKWADPHV-BHTHQVBYSA-N 443.916 2.496 0 1 IEAF COC(=O)C(=O)C[C@@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580530 IYCIZOWCLVJEGO-CVDCTZTESA-N 436.420 2.423 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587762641 YTMMRSXEJCTCJJ-MLCYQJTMSA-N 427.270 2.082 0 1 IEAF CN1CCN(S(=O)(=O)c2ccc(-c3ccn(Cc4ccc(C(=O)O)cc4)n3)cc2)CC1 957921603 UBNLBRCEQATSPS-UHFFFAOYSA-N 440.525 2.233 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1 2356298756 ZSTBMXUYQXDYKA-YSIASYRMSA-N 427.524 2.206 0 1 IEAF CNCC(=O)O[C@H](CCc1ccc(O)c(OC)c1)C[C@@H](CCC[C@@H](C)O)OC(C)=O 2356756836 SZHZUFRUQWLKNX-ATZDWAIDSA-N 425.522 2.338 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cccc(C)n4)CC3)c(F)c2)C(=O)O1 11525390 KVCRMWGCESHMOR-SFHVURJKSA-N 427.480 2.317 0 1 IEAF O=C(O)[C@H](Cc1ccc(N2CCCC2=O)cc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1 27321431 BUGHUSKVWNVUCW-SFTDATJTSA-N 449.507 2.117 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 34636657 FKCKHHUOKPWTNI-LQWHRVPQSA-N 435.480 2.171 0 1 IEAF COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4[nH]c(C(N)=O)nc4c3)CC1)O2 49112677 ZYVJMXHKISGGOQ-UHFFFAOYSA-N 434.452 2.311 0 1 IEAF CC(=O)N1C[C@@H](F)C[C@H]1c1nc(C(=O)NCc2ccc(C)c(Cl)c2)c(O)c(=O)n1C 58581917 OJSHOMJTWMYBRH-ZFWWWQNUSA-N 436.871 2.009 0 1 IEAF in-vivo C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cccnc3)cnc2O[C@@H]1CN(C)C(=O)C1CC1 95729024 QZKOBWBUZAMLFO-GCKMJXCFSA-N 438.528 2.232 0 1 IEAF O=C(NC1CCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1 95880347 KARYVAJVJJMFJS-AZOUXBGGSA-N 448.567 2.343 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1C(=O)C1CCCC1 100138883 PFBACNMROORGKQ-XRZNFWPMSA-N 427.545 2.088 0 1 IEAF CC1(C)NC(=O)c2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)ncc2NC1=O 103298241 LUTVMHQKIDPSDK-UHFFFAOYSA-N 428.392 2.362 0 1 IEAF CNc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccccc3)c1-2 112943157 XCZOGNKJHKZQTA-UHFFFAOYSA-N 438.509 2.341 0 1 IEAF O=C(c1ccc(Nc2nc3ccccc3n3nnnc23)cc1)N1CCN(C(=O)C2CC2)CC1 205746315 VBHUQOMQBRRXMT-UHFFFAOYSA-N 442.483 2.111 0 1 IEAF Cc1ccnc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 586958020 FNXQVRHHQVUOFE-UHFFFAOYSA-N 425.470 2.208 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@H]3[C@H](N=CN3C)N(C)C1=O)O2 587400458 PUUHASIWZAQYMB-JUXOCIIHSA-N 427.505 2.034 0 1 IEAF C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(CC(N)=O)cc4)nc32)c1 1857610769 RXJKLEMMSUOSDJ-UHFFFAOYSA-N 441.451 2.072 0 1 IEAF COc1ccc(-c2cc(=O)c3c(O)c([C@H]4C[C@@H](O)[C@@H](O)[C@@H](C)O4)c(O)cc3o2)cc1O 14768345 VOXHZFGNVVKUEG-IFBXYDTLSA-N 430.409 2.157 0 1 IEAF COc1cc(C(=O)[C@@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272087 SBFWGSQTPPNJCO-FZKQIMNGSA-N 430.409 2.361 0 1 IEAF biogenic O=C1Nc2ccccc2C2=N[C@@H](CN3CCC4(CC3)C(=O)NCN4c3ccccc3)CN12 26288346 IAAUPUCMTFTRRE-KRWDZBQOSA-N 430.512 2.091 0 1 IEAF CC1(C)C=C(C(=O)NC[C@H](O)CNC(=O)C(C)(C)Oc2ccc(Cl)cc2)C(C)(C)N1 40503699 DAAGRSCQHIVWCM-HNNXBMFYSA-N 437.968 2.178 0 1 IEAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cn(CC(C)(C)C)nn2)CC1 60326415 ZDWBVXDYSLNIIX-RBUKOAKNSA-N 435.519 2.289 0 1 IEAF O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F 95899665 JJTXKXWGELMLKZ-OVLVRJBISA-N 442.434 2.488 0 1 IEAF Cc1nc(-n2cnn(CCCC(F)(F)F)c2=O)sc1C(=O)NCc1cccnc1 113372075 VJVXNAFSDHYZBV-UHFFFAOYSA-N 426.424 2.466 0 1 IEAF COc1cc(N)c(I)cc1-c1nc2ccc(-n3cnnn3)cc2[nH]1 587178788 LFVPEMBWUMWHTA-UHFFFAOYSA-N 433.213 2.401 0 1 IEAF Cn1cc(CC(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)c2ccccc21 621429252 QFEVNSRWIOJFKI-UHFFFAOYSA-N 448.552 2.360 0 1 IEAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1OCCN1CCOCC1 963469903 LNVRRHIGDCXNRW-MBSDFSHPSA-N 442.512 2.109 0 1 IEAF Cn1cc(-c2nn(Cc3ccc(C(=O)N4CCOCC4)cc3)c(=O)c3ccccc23)cn1 1857755997 IPVDWZYVFWVJDX-UHFFFAOYSA-N 429.480 2.318 0 1 IEAF CN(C)c1ccc(NC2=N[C@H]3[C@@H](S2)[C@H](C(=O)NCc2cccs2)C[C@@H](O)[C@H]3O)cc1 2356811067 BDTBWRJIRSPTNF-NNIGNNQHSA-N 446.598 2.124 0 1 IEAF CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819098 METZBKHOGNFONR-HOIFWPIMSA-N 430.526 2.213 0 1 IEAF CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 95900139 ALBNIJOYEDEARG-DCZASFAJSA-N 425.485 2.245 0 1 IEAF CC[C@H](NC(=O)CCc1ccc(-c2ccsc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O 169701562 AEOWLQGPNGMHBP-ROUUACIJSA-N 445.541 2.077 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NCC[Si](C)(C)C)C[C@H]3C[C@H]32)c2cnccc12 210639510 DFJLPEBNJCZPOC-OIISXLGYSA-N 427.581 2.078 0 1 IEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 253674527 UYKWDOHZJVLLMU-OPLYSGQSSA-N 441.963 2.085 0 1 IEAF C[C@H]1CCCCN1c1ccccc1CNC(=N)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 653849879 IKEIRATTZXTIKJ-JXFKEZNVSA-N 437.544 2.474 0 1 IEAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cncc(OC)c2)o1 1857606380 CUCBXONQXHGRSD-OAHLLOKOSA-N 432.477 2.198 0 1 IEAF COC(=O)[C@H]1[C@@H](CO)[C@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 2356581707 HBBWXDGEOJRBFR-MSPZUWAUSA-N 446.452 2.018 0 1 IEAF O=C1CC[C@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@@H]3C1 11524408 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CCS(=O)(=O)NC[C@@H](NC(=O)c1ccc(-c2cn[nH]c2)c(OC)c1)c1ccccc1 1772624072 PCGOLHRVCCFRNK-LJQANCHMSA-N 428.514 2.496 0 1 IEAF CC[C@@H]1C(=O)N(C)c2cnc(Nc3ccc(S(N)(=O)=O)cc3)nc2N1C1CCCC1 1857748011 ZBJWJVGFIIULBV-MRXNPFEDSA-N 430.534 2.372 0 1 IEAF CCCCc1cc(C[C@@H]2CNCC[C@@H]2CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)no1 2356857327 RYKFJNSPSFFHKK-WOJBJXKFSA-N 426.585 2.482 0 1 IEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NCc2cccnc2)C(=O)[C@]31C 15955480 BJEUBCIHSANOBT-SHACYNPGSA-N 447.495 2.312 0 1 IEAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C[n+]4cccc(N)c4)c4ccccc4c3)C[C@H]12 26729818 IYFPHKKVPWYDSY-KHIBUBOWSA-O 430.484 2.165 0 1 IEAF CS(=O)(=O)Nc1cccc(-c2nc(NCCN3CCOCC3)c3ccccc3n2)c1 33361844 FZFTVAGMXRHOPE-UHFFFAOYSA-N 427.530 2.412 0 1 IEAF CCOC(=O)CN1CCN(c2ncc(C)c(NCCCN(C)c3ccccc3)n2)CC1 82204192 YQTQKFDTUOKBFW-UHFFFAOYSA-N 426.565 2.409 0 1 IEAF COC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@H](CO)O1 95900085 NPRGNJUPYHXXCW-HIUUTZCYSA-N 433.482 2.045 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 95908242 DVSDZAFRLPIFCS-HLAWJBBLSA-N 438.590 2.268 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CCCCC3)[C@H]2N1C(=O)CC 100139061 HAZQUKOJWQYYGL-ZIEWANKLSA-N 441.572 2.478 0 1 IEAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](CNOC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 206972998 XFEYKYIUDLHUCJ-BDHVOXNPSA-N 437.920 2.003 0 1 IEAF CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(/C)O)C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O 238763230 HNFFTJOYSZQICG-WIOWUAAISA-N 436.457 2.034 0 1 IEAF COCCOCCOCCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@@H]1O5 1772570181 YUNYZPGJOLFRAP-NSLIWZDESA-N 445.556 2.205 0 1 IEAF O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1 6576994 MBWUSPSATZDAKR-UHFFFAOYSA-N 426.498 2.324 0 3 IEAF COC(CNC(=O)[C@H](Cc1ccccc1)NC1(C(=O)NC2CCCCC2)CCC1)OC 205714829 FDURPNZFBRZGDV-FQEVSTJZSA-N 431.577 2.294 0 3 IEAF Cc1ccc(CCNC(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 9692512 RZFVTNAKDBJCCI-UHFFFAOYSA-N 429.542 2.297 0 1 IEAF COc1cc(C(=O)[C@@H]2CO[C@H](c3cc(OC)c(O)c(OC)c3)[C@H]2CO)cc(OC)c1O 13398337 ANCVHDRNDJRUOT-DJEJFTSGSA-N 434.441 2.311 0 1 IEAF biogenic,in-vitro Cc1ccc(NS(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)cc1Cl 26023841 DDQDNPIUWCIXGR-UHFFFAOYSA-N 427.269 2.337 0 1 IEAF CN(CCN(C)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1)c1ccc2ccccc2n1 27768164 BCDNDQQWTUJSOH-UHFFFAOYSA-N 448.570 2.363 0 1 IEAF COC(=O)C(Cc1ccc(NS(=O)(=O)O)cc1)(Cc1cccc(OC)c1)C(=O)OC 36179171 QUDCIWWZPBQGSG-UHFFFAOYSA-N 437.470 2.028 0 1 IEAF COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C(C)=O)[C@@H](O)C2=O 84758739 ATZSTPPLRDKSNP-NPMABZOXSA-N 443.452 2.444 0 1 IEAF COc1ccccc1CNc1ncc(C(=O)NCCNC(C)=O)c(NC2CCCC2)n1 95595497 ORYKMIWQJHCMKB-UHFFFAOYSA-N 426.521 2.318 0 1 IEAF CC[C@@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 169697074 JBVSQYZVCXMFCI-HSALFYBXSA-N 430.593 2.365 0 1 IEAF C[C@@]1(c2sc(-c3cncc(C#N)c3)cc2Cl)CS(=O)(=O)[C@]2(CCOC2)C(N)=N1 207738117 AGTITCAYQXIUEM-ROUUACIJSA-N 436.946 2.495 0 1 IEAF C[C@H](O)CNc1nccc(-n2ccnc2Cc2cccc(NC(=O)c3cnccn3)c2)n1 299836898 IMROFZKCYBXCBA-HNNXBMFYSA-N 430.472 2.088 0 1 IEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)C[C@H](O2)[C@H]4[C@H]3[C@@H]1C 2356453373 VWLSPPQJJDUUFR-ZRIUIUDWSA-N 431.485 2.241 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC[C@H](O)CO 2356625138 AWSHXGOINMVSGP-ZPAWYTMASA-N 426.550 2.063 0 1 IEAF CN1C(=O)C[C@@](CC(=O)N2CCN(c3ccccc3F)CC2)(c2cccc(F)c2)C1=O 14882656 IVMQGGGWZOOKSX-HSZRJFAPSA-N 427.451 2.330 0 1 IEAF O[C@@H](COc1ncnc2nc[nH]c12)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22935819 FHXMJQFJPPIOBL-OAQYLSRUSA-N 444.539 2.500 0 1 IEAF O=C1CCC(c2ccc(NC(=O)CNC[C@H](O)COc3cccc4ccccc34)cc2)=NN1 27097811 MKMHCSOVYFTWFJ-FQEVSTJZSA-N 446.507 2.422 0 1 IEAF CCCN(CCC)Cc1cccc(C(=O)OCCOCn2cnc3c(=O)[nH]c(N)nc32)c1 72180868 NVMBLZBSOKIKNO-UHFFFAOYSA-N 442.520 2.155 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(C)=O)O2 95710688 UUOCJBRUULBREA-WJONJSRFSA-N 441.528 2.456 0 1 IEAF O=C(N[C@H]1CC[C@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 95903824 XAHRYQSZYLTWTB-YWMUFLPLSA-N 444.459 2.013 0 1 IEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1F 117318804 VFSWJCSYVNBVSH-UHFFFAOYSA-N 444.536 2.448 0 1 IEAF COC(=O)C1=CN([C@H](C)C(=O)O)[C@H]2OC[C@H]3[C@@H]2[C@@H]1C[C@H]1c2[nH]c4ccccc4c2CCN13 143267520 VIPHGZIXRFHNNR-VASUFVOVSA-N 437.496 2.274 0 1 IEAF CS(=O)(=O)N1CCN(c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1 205439925 FCIRAYUAICUXRT-UHFFFAOYSA-N 430.461 2.216 0 1 IEAF C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(Cl)cccc2c(=O)n1-c1cccnc1 220889374 FCKCJTUBGNGWLU-JTQLQIEISA-N 433.863 2.433 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)N[C@H](C)CO)c1 299886116 WPXZETWTKRTYHQ-BSIFCXSSSA-N 442.512 2.001 0 1 IEAF CC(=O)N[C@@H]1CCN(C(=O)[C@H]2C[C@@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 299886183 WTQXONXIXYSYEE-VAMGGRTRSA-N 431.533 2.197 0 1 IEAF CC(=O)Nc1cccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 299887753 ZIXZRLNDMOKNMP-SCTDSRPQSA-N 430.530 2.003 0 1 IEAF COC(=O)c1cc2nc(CCN3C(=O)COc4cc(Br)ccc43)[nH]c2cn1 587003367 UILRAPAXNGMEPK-UHFFFAOYSA-N 431.246 2.475 0 1 IEAF N[C@H](Cc1ccc(O)c(Cl)c1)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587052547 UODGNUNADBEYMO-OAHLLOKOSA-N 436.921 2.185 0 1 IEAF CC(C)OC(=O)C1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)CC(F)(F)C1 587131539 MSAWFJKLXUGASG-UHFFFAOYSA-N 443.472 2.202 0 1 IEAF COc1nccc(I)c1[C@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522535 FFHYRCNUEGYWPI-NHYWBVRUSA-N 440.237 2.397 0 1 IEAF CC(C)Nc1cc(-n2ncc3cc(Cl)cnc32)ncc1C(=O)NC[C@H](F)C1(O)COC1 1772649420 LEFVETSDWIDJMU-INIZCTEOSA-N 448.886 2.118 0 1 IEAF CCCCCOC(=O)[C@@H](N[P@@]1(=O)CO[C@@H](COc2nccc(=N)[nH]2)CO1)C(C)C 1911580055 ANBLXARAOKNPIH-YKNIRGLASA-N 430.442 2.182 0 1 IEAF COc1cc(C(=O)[C@@H]2COC[C@]2(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356745519 HKVASQZMEAEGTN-QMHKHESXSA-N 430.453 2.492 0 1 IEAF C[C@]12CC[C@H]3[C@](C)(C1=CC[C@@H]2[C@H]1COC(=O)C1)[C@H](O)[C@@H]1OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@@H]12 2356785572 AJUWUSWLMUIOPG-WQQLNJBPSA-N 446.584 2.446 0 1 IEAF Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 4388655 RUHWNESPTVCFNF-LOCCHRAXSA-N 436.464 2.042 0 3 IEAF CC(C)C[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 790412 GNPPMCPCONLORU-SBHAEUEKSA-N 432.565 2.180 0 1 IEAF Nc1nc(N)c2c(n1)NC[C@H](COC(=O)CCc1ccc(C(=O)c3ccccc3)cc1)N2 13474464 WODFQUPEKIJREU-QGZVFWFLSA-N 432.484 2.254 0 1 IEAF COCCCNC(=O)c1ccc2c(c1)[C@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 82181943 XPQHKEOHVBHMRC-OAQYLSRUSA-N 447.576 2.284 0 1 IEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCC2)C3)cc1 95797429 BVXKQWVGUGNLFN-NDOSEIJPSA-N 425.573 2.339 0 1 IEAF CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 95886208 LCZNFVPWBVKYCJ-KFZJALRRSA-N 446.331 2.271 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N3CCC[C@@H](CO)C3)c2c1=O 115626732 FQYROBOQIQTELK-QGZVFWFLSA-N 435.528 2.041 0 1 IEAF C[C@@H]1C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCC[C@H]2C(=O)O[C@H](C)CC[C@@H](C)C1=O 205746747 JFXPTGJYLLVAFU-JOMPHRNESA-N 428.529 2.272 0 1 IEAF Cc1c(F)cncc1-n1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2cccc(F)c2c1=O 220865024 CFVZJSBQQQUMDA-JTQLQIEISA-N 449.425 2.367 0 1 IEAF N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586920216 OADFEKXRFFAKQU-NSHDSACASA-N 430.810 2.195 0 1 IEAF CC(C)C[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(O)nc(N)nc2[nH]1 587141893 YPWCGNYJDXFZEM-NSHDSACASA-N 428.877 2.499 0 1 IEAF O=C(O)c1ccnc(-c2ccc([C@H]3c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)cc2)c1 963215473 AONYEWWTSONBQX-ZJOUEHCJSA-N 443.463 2.017 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3ccc(Cl)c(Br)n3)N2C(=O)[C@@H]2CCCN12 963222641 ZLOHKTFYRTVCLY-OBJOEFQTSA-N 436.697 2.068 0 1 IEAF CCN1C(=O)[C@@H](c2cc(O)n[nH]2)[C@]2(N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c2ccccc21 963522605 FQAVVCODNNPBGI-UQJUWTFNSA-N 448.479 2.122 0 1 IEAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)C[C@H](O)[C@@H](O)C[C@@H](CO)C1 2356791983 JEPMATUFQDEVNO-ZFNALNPBSA-N 433.589 2.375 0 1 IEAF CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 31274110 XSFJVAJPIHIPKU-LKPCOXDASA-N 434.504 2.275 0 3 IEAF in-vitro CCCS(=O)(=O)NC(=O)[C@@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 61929112 NPVRQAJKVQBPLQ-KRWDZBQOSA-N 437.345 2.467 0 3 IEAF O=C(NCc1ccccn1)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)c1c(F)cccc1F 198621873 MEDYBBDKPDHXTD-OALUTQOASA-N 442.466 2.272 0 3 IEAF O=C1NC[C@H](COc2c(Br)cc([C@@H]3CNC(=O)O3)cc2Br)O1 13450705 ZAXCQPPMIUFZFV-XCBNKYQSSA-N 436.056 2.480 0 1 IEAF biogenic Nc1nc(N)c2nc(COC(=O)CCc3ccc(C(=O)c4ccccc4)cc3)cnc2n1 13801173 QBAJUWQMJJFHIK-UHFFFAOYSA-N 428.452 2.491 0 1 IEAF COCCCN[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCCN3CCN(C)CC3)cc21 22588609 OBZRYTWKJFUKBM-NRFANRHFSA-N 432.609 2.282 0 1 IEAF O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)c1cccc(Cc2cnc[nH]2)c1 35323650 OCCJYRVCPHFRFL-VXKWHMMOSA-N 446.507 2.417 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4O[C@H]3C2=O)CC1 40980082 MJAGDZMQLUKTIZ-FGZHOGPDSA-N 436.512 2.261 0 1 IEAF Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C(C)C)CC4)c(F)c3)C(=O)O2)nn1 43073878 YMCFVAZPENYNKS-KRWDZBQOSA-N 430.484 2.056 0 1 IEAF C[C@]1(O)[C@](C)(O)[C@@H](CO)O[C@](C)(Oc2ccc3cc(Br)ccc3c2)[C@]1(C)O 95535408 FBCOCEOUPLDMNE-OBKDMQGPSA-N 441.318 2.341 0 1 IEAF COc1cccc([C@@H]2NCCc3c2c(C(C)C)nn3C)c1OCC(=O)NC[C@@H]1CCCO1 962921460 UANPQFQARMCUAQ-HJPURHCSSA-N 442.560 2.461 0 1 IEAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCCC3)[C@H](O)[C@H]2[C@H]1C 2356837996 LPEKSOWODYIDBW-NGRNDTKRSA-N 436.641 2.346 0 1 IEAF CC(=O)N(C)C[C@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 13746556 CZVUUZSFHSVFQZ-QFIPXVFZSA-N 447.583 2.496 0 1 IEAF Nc1nc(Cl)c(/C=C/c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 73157282 MUEKDMWFWGYKQF-HPQGKOIESA-N 444.841 2.416 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2)C1 95865270 ZMIWXYNHZBOZQY-JOCHJYFZSA-N 448.567 2.367 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3ccc(Cl)nn3)CC1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 194943804 VUPXZFYWVQJPTN-GQDVPIKJSA-N 441.963 2.085 0 1 IEAF Nc1cnc(NC[C@@H](O)COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)nc1 224578318 NEJLQZLLEQEHGL-CQSZACIVSA-N 425.468 2.356 0 1 IEAF C[C@H]1CCC(=O)[C@@H]2[C@@H](O)[C@]3(C(=O)O[C@@H]4O[C@@]43C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C 238756319 IHDRQAUDJFVFQM-MMOLPSADSA-N 426.465 2.266 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc4c(cc3[nH]2)OCO4)cc1 586939734 DLKBTEMRTXCHGW-KRWDZBQOSA-N 442.497 2.242 0 1 IEAF Cn1nnc(Br)c1[C@@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963131652 AOEVSJUOHVWERW-RKDXNWHRSA-N 444.311 2.370 0 1 IEAF Cc1cc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)Nc3ccccc3)CN(C)C(=O)C2)no1 2356363657 LFABBVKIZJYZRC-AEFFLSMTSA-N 427.505 2.438 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@@H]6CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1 2356725299 CWGULWSLLTUZPK-NUPBYUCDSA-N 446.540 2.002 0 1 IEAF COc1cc(-n2cnc3cc(C(=O)NCCN4CCOCC4)ccc32)cc(OC)c1OC 20757767 TTYLDGKHJWOEQW-UHFFFAOYSA-N 440.500 2.113 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@@H]1C(=O)O 28097158 NULRTLVWXFIIBM-AXDKOMKPSA-N 444.528 2.157 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@H]3[C@H](c4ccccc4N3C)N(C)C2=O)CC1 40938873 VYVHLZRIUNDLHU-XZOQPEGZSA-N 449.555 2.271 0 1 IEAF COc1ccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 95878835 VBHFXKMGVUKTSE-QFZRFWILSA-N 437.540 2.370 0 1 IEAF Cc1ccc(C(=O)N2CCOCC2)cc1Nc1ncnc2cnc(N3CCOCC3)cc12 96175716 OPNBNLDYBHRLNW-UHFFFAOYSA-N 434.500 2.386 0 1 IEAF O=C1[C@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cc[nH]cc-2n1 100872357 YKDGUSPLRQPKMU-CQSZACIVSA-N 427.511 2.204 0 1 IEAF CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)O 169295351 NULRTLVWXFIIBM-LFAQGZIKSA-N 444.528 2.157 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@H]3c4ccccc4N[C@H]3C2=O)CC1 195093886 GZRHSNKERQYZPU-WQTXXOFMSA-N 435.528 2.293 0 1 IEAF CC=C(C(=CC)c1ccc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(O)cc1 2356466101 TWHOURXATRMABC-NTYLBUJVSA-N 442.464 2.170 0 1 IEAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)C(=O)N4)C[C@@H]2C)cc1 103692763 PYIDKOQMTVHMHX-HOTGVXAUSA-N 442.541 2.421 0 3 IEAF COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCNCC4)nc32)c1 4238680 VORMSOCEUSVILQ-UHFFFAOYSA-N 434.525 2.382 0 1 IEAF aggregator O=C(O)Cn1c(=O)c2cc(Br)ccc2n(Cc2ccc(F)c(F)c2)c1=O 13649888 GQHNCALHRREUQN-UHFFFAOYSA-N 425.185 2.337 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[n+]4cc(N)cc5ccccc54)cc3)C[C@H]12 26272111 WLUVNEJGSBDOAL-KHIBUBOWSA-O 430.484 2.165 0 1 IEAF CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@H](O)C[C@@]21C 36384920 AKUJBENLRBOFTD-DJPPUYHISA-N 434.504 2.467 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886510 USTKRYYMXKIIKC-YSTOQKLRSA-N 435.496 2.026 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@H]1C(=O)NCc1ccccc1)C(C)C 145107677 DWYXOSQSORZHMJ-HSQYWUDLSA-N 436.556 2.135 0 1 IEAF O=C(c1cc(F)ccc1-n1nccn1)N1CCO[C@@H]1Cn1ccc(-c2ccc(F)cn2)n1 210584339 LWIJBIHKOCBNNV-HXUWFJFHSA-N 437.410 2.303 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O 299887038 YFGHLJOXLFMJBE-WDYCEAGBSA-N 435.590 2.481 0 1 IEAF CCN(CC)c1ccc(-c2nn(C(=S)NCC(=O)NC)c(=O)c3ccccc23)c(O)c1 587671226 UKCZHGDJKUXKBD-UHFFFAOYSA-N 439.541 2.084 0 1 IEAF NCc1ncc(S(=O)(=O)c2cc(C(=O)N3CC[C@@H](O)C3)cc(-c3ccccc3)c2)s1 1857591147 SDNYQXCMAMFTGW-QGZVFWFLSA-N 443.550 2.308 0 1 IEAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(C(=O)c3cncs3)c2)nc1O 1857756833 KLLXEMMVGSOQIQ-JCDHFMOQSA-N 447.520 2.254 0 1 IEAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@@H]32)nn1 2356830333 JGUZKXNUIYDALY-KBUPBQIOSA-N 442.350 2.040 0 1 IEAF COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@@H]21)N3S(=O)(=O)Nc1ccc(F)nc1 13681453 RSZNDMJETBKFRP-NLWGTHIKSA-N 446.504 2.249 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CCO 84757176 PYIYKMPZXKEIOX-GUYCJALGSA-N 436.965 2.435 0 1 IEAF CCCNC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95666396 DCPVOTWQZMKRJS-SFHVURJKSA-N 426.517 2.135 0 1 IEAF O=C(C[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 95677163 UBYVOLAQIVZNTP-SZVBFZGTSA-N 434.443 2.096 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)[C@@H]2N1Cc1cc(F)ccc1F 95881330 YRGWZYRCWNZNAV-JCLXBNKCSA-N 443.494 2.412 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@@H](CO)O1 95899919 YCXJMJHOMLCSIN-FCMRVMJTSA-N 439.512 2.174 0 1 IEAF COC(=O)[C@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1 98084472 SDUBMNXXDNVCGK-VGSWGCGISA-N 433.501 2.376 0 1 IEAF CNS(=O)(=O)c1ccc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)cc1 114106381 UJGDDYUUQMGVCE-UHFFFAOYSA-N 439.472 2.398 0 1 IEAF COC(=O)N[C@@H](C)CNc1nc(-c2ccc(OC)c(OC)c2)cc2ncn(C)c(=O)c12 115137111 QMDJRONWBSQQMP-LBPRGKRZSA-N 427.461 2.169 0 1 IEAF CCCCO[C@@H](C)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 523042390 MXXZEBFTSFTTFC-VWMNAOKSSA-N 428.566 2.069 0 1 IEAF biogenic CCOC(=O)c1cc([C@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)nn1C 962642362 YZWSNQQLFUJUCD-FZKQIMNGSA-N 427.379 2.358 0 1 IEAF Cc1nc(N)c2c(C)c(Sc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)[nH]c2n1 28655617 ZUJRWGYGHQCQBY-ZDUSSCGKSA-N 443.485 2.356 0 1 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3F)cc1)[C@@H]2CO 95795884 QMVYBQNWUZQTJV-AOHZBQACSA-N 438.499 2.417 0 1 IEAF Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 95818508 XSAFYGBYABXFOO-MIZPHKNDSA-N 443.592 2.243 0 1 IEAF C[C@@H](O)CNc1cc(Nc2cccc(Cl)c2)nc2c(/C=C3\NC(=O)NC3=O)cnn12 117822864 FQKAUDSAIMUPLR-UVDMMCPBSA-N 427.852 2.099 0 1 IEAF CCN(CC)CCCn1c(=O)c(=Cc2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 299809314 LYLYQNLOKJYCTC-ARJNGFOQSA-N 449.576 2.327 0 1 IEAF COC(=O)[C@@H]1CC(=O)[C@H](OC(C)=O)C[C@]12c1ccsc1CCN2Cc1cccnc1 963002663 CZDBOYPWBSNHBD-KPLVRAHFSA-N 428.510 2.481 0 1 IEAF C[C@@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 13857699 DVSSZZYKNXCIRL-SYCOBUBCSA-N 432.270 2.371 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc2c(c1)N[C@H]1C=CC=C[C@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27216234 RFXILZMBDGHUBF-XNAUIMBHSA-N 443.569 2.435 0 1 IEAF O=C1N/N=C\c2ccc(cc2)OCc2cccc(n2)COc2ccc(cc2)/C=N/NC1=O 31908616 OBCAQPLOYLYZET-UNFIKANMSA-N 429.436 2.153 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 95734138 WESXQGCLCDUYEJ-QNFPXEQRSA-N 445.560 2.220 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1CC1CC1 95879771 VWTLLXXOGZOHCL-HXHBTQRASA-N 425.504 2.164 0 1 IEAF NC1=N[C@@](c2cc(NC(=O)c3ncc(Br)cn3)ccc2F)(C(F)F)COC1 142424285 DPCVSFUIBBNANR-INIZCTEOSA-N 444.211 2.478 0 1 IEAF O=CN1CC[C@@]23C[C@H](O)CC[C@@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 254075413 FTZMSPHFNOLQKD-AGFSROSKSA-N 447.495 2.346 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5c4ccc(OC)c5OC)[C@@H]3C[C@H]12 14585356 TTZWEOINXHJHCY-UHJVZONPSA-N 428.485 2.080 0 1 IEAF CC[C@H](C)[C@H](NC(=O)c1ccc(NC(=O)[C@@H](N)C(C)C)c(OCc2c[nH]cn2)c1)C(=O)O 72142509 JPXKGMXKGGSBMN-AGRHKRQWSA-N 445.520 2.140 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1Cc1cccc(F)c1 95881450 QSBCJQTYLRTAIU-YXPKMTABSA-N 449.482 2.386 0 1 IEAF CNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889105 IJEGDLNEQMJCTO-YVWKXTFCSA-N 444.532 2.267 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CCN1Cc1cc2cc[nH]cc-2n1 100754738 ZBWHLBBPBZPVFV-HNNXBMFYSA-N 444.904 2.124 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 100772058 YUCYEVHMFBEBSC-CLNDJADCSA-N 432.557 2.054 0 1 IEAF endogenous,in-man CN[C@H]1[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(F)cc3F)C[C@@H]21 102127077 OYACOJFQASNDPO-PBKGOJFUSA-N 430.386 2.155 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NC[C@H]3CCCC[C@H]3F)C[C@H]3C[C@H]32)c2cnccc12 217657902 SVFBVYGAJMPMKF-YRGVVPAESA-N 441.507 2.268 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O 587447540 BPMIZLGUJFLADI-HRAATJIYSA-N 431.466 2.327 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@@H]2[C@H]1C 2356316854 UONWEASBIGJGCX-OTAJUPSQSA-N 431.577 2.288 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95905696 ALLIEMYEDHFUCC-GUDVDZBRSA-N 439.940 2.303 0 3 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@H](C)CO 4381831 ZOAMONKLMYFYBX-HHXXYDBFSA-N 429.542 2.100 0 1 IEAF CCOc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 13760714 CDYOSYIBNOUGKP-UHFFFAOYSA-N 443.529 2.296 0 1 IEAF CC(C)NC(=O)OCC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 27980325 RZTDQABOCFQUFV-XMMPIXPASA-N 449.463 2.194 0 1 IEAF CN1C(=O)[C@](c2ccc(F)c(-c3cncnc3)c2)(c2cnn(CC(F)(F)F)c2)N=C1N 34803601 FCWFCMGXLUBIQD-IBGZPJMESA-N 433.369 2.072 0 1 IEAF O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1cccnc1 40900888 SMFXJVGXBWOXKN-FSTJURTJSA-N 447.535 2.150 0 1 IEAF C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCCc3ccccc3)cc2)CC1 95571869 WZJJPWFLFPNPFQ-UHFFFAOYSA-N 441.553 2.114 0 1 IEAF CCCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCC1 95797187 CGQHFIUMFTVCDC-YXPKMTABSA-N 436.556 2.343 0 1 IEAF Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 95905526 DDRMKOIBSRTVIH-XUVXKRRUSA-N 438.590 2.268 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@]23[C@H]4N5CCC[C@@]4(CC[C@]12C(=O)OC)CC(=O)[C@H]3C5 95913677 MSSNAZSJDGAHLN-RZWRTUBPSA-N 440.496 2.278 0 1 IEAF biogenic,in-vitro Cc1ccccc1[C@H](CS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccccc1 96172719 LVFUNPYSQLFJQC-OAQYLSRUSA-N 442.537 2.456 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)[C@@H]2N1CCC(F)(F)F 100140225 HPCLZCWMAWXGDY-GCBZNJMTSA-N 427.467 2.324 0 1 IEAF N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587225321 OQODLAGROWDSHV-HOCLYGCPSA-N 442.497 2.018 0 1 IEAF CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963507910 KHNQZSZZJYEOAV-ICSGCJEQSA-N 434.489 2.067 0 1 IEAF NC(=O)[C@H](CO)NC(=O)c1ccccc1Nc1ccc2c(/C=C/c3ccccn3)[nH]nc2c1 1772570073 MJKYAXXESSJLNH-CRWWQRIJSA-N 442.479 2.448 0 1 IEAF CN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)CC1 8603733 SBGVIGOCZONVOH-UHFFFAOYSA-N 443.525 2.191 0 1 IEAF COc1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)N3CCC(C(N)=O)CC3)no2)cc1 8623761 HWMNOLQBZYBDDF-OALUTQOASA-N 440.544 2.232 0 1 IEAF biogenic C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(Cc3cccnc3)[C@@H]21 95880183 JDCNIUYDVITIGJ-DRYKJFKOSA-N 448.567 2.499 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1Cc1ccccc1F 95880783 QADCVCTVMLMTQM-LBVMUVSTSA-N 449.482 2.386 0 1 IEAF Cn1c(N2CCO[C@@H](c3ccc4c(c3)CCC(=O)N4)C2)nc(-c2ccncc2F)cc1=O 113077268 RMRXKEWWKKJXMG-HXUWFJFHSA-N 435.459 2.444 0 1 IEAF CCC[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccncc1 205040436 QAMYBIYHPTUDRU-CCAPLTMGSA-N 433.476 2.227 0 1 IEAF COc1ccc2[nH]nc(C(=O)NCC3CCN(CCN4C[C@H](C)O[C@H](C)C4)CC3)c2c1 221875650 NPMSCCRXMIZSHU-CALCHBBNSA-N 429.565 2.123 0 1 IEAF O=C(N[C@@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)O)OCc1ccccc1 587205511 BKSWFQSDCABEOX-FQEVSTJZSA-N 438.484 2.317 0 1 IEAF COC1=C(C)C(=O)OC1=C(O)[C@H](C)[C@@H]1[C@H](O)CCCN2[C@H]([C@@H]3C[C@@H](C)C(=O)O3)CC[C@H]12 2356510859 OYRUSEHZRBXHJH-HGHSOQATSA-N 435.517 2.425 0 1 IEAF CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](NC[C@H]2CCCO2)CC(C)(C)O3)CC1 22027549 PROIXAIIJMUUGO-IFMALSPDSA-N 444.620 2.425 0 1 IEAF CNCC(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 25202212 YWFAHMQOGKOKCD-APWZRJJASA-N 426.904 2.268 0 1 IEAF biogenic C[C@]1(c2ccc(F)cc2)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C1=O 29243829 ZFSXTHDCRMCHDS-HSZRJFAPSA-N 425.508 2.235 0 1 IEAF O=C(N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)O)C(=O)O)OCc1ccccc1 29342271 SDJMCKUORUESSF-MOPGFXCFSA-N 440.452 2.184 0 1 IEAF COc1cc(-c2cc(=O)c3c(O)c([C@@H]4C[C@@H](O)[C@H](O)[C@@H](C)O4)c(O)cc3o2)ccc1O 59734145 ZRNTZPKUNIPEAL-MTSPQYEXSA-N 430.409 2.157 0 1 IEAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 82199470 YZDKAEPYTBBWCZ-MJGOQNOKSA-N 442.516 2.210 0 1 IEAF CCOC(=O)[C@@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 95784714 JTANUYXDYRTBMY-XGVVWFOMSA-N 446.503 2.217 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 95899333 GUFQTAZGDROFPH-VSCJKUSUSA-N 432.517 2.105 0 1 IEAF COc1cc2c(c(OC)c1OC)[S@@](C)(=O)=NC(N1CCN(C(=O)c3ccco3)CC1)=N2 101821937 RGFGVTBWXOZOTC-WJOKGBTCSA-N 448.501 2.221 0 1 IEAF COc1cccc(CNC(=O)C2CCC(C/N=c3/c(N4CCCC4)c(O)c3=O)CC2)c1 103902714 XWWYHELWEDBACO-QQTULTPQSA-N 425.529 2.260 0 1 IEAF N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)NCP(=O)(O)O)cc3)o2)cc1 145979207 MACKSNDBMYURRZ-UHFFFAOYSA-N 443.352 2.315 0 1 IEAF COc1ccc(NC(=O)CN2CCN(c3nn4c(C)nnc4c4ccccc34)CC2)cc1 299822577 BDHKWQBTSOYLIM-UHFFFAOYSA-N 431.500 2.355 0 1 IEAF O=C(Nc1ccccc1Cl)c1nc2cc(C(=O)N3CCN(CCO)CC3)ccc2[nH]1 587061024 ZFDNYEQQSZCYAL-UHFFFAOYSA-N 427.892 2.219 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(=O)(=O)NCCCC(=O)O)cc1)[C@@H](C2)C3=O 587447541 BPMIZLGUJFLADI-KKSFZXQISA-N 431.466 2.327 0 1 IEAF CCc1ccc([C@@]2(CC(=O)C(F)F)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1 963206486 PFFILRZGDQHJPX-QQMNAOGKSA-N 442.466 2.198 0 1 IEAF C[C@@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 1772603314 NNMKHOCCDNRNAJ-PXNSSMCTSA-N 445.541 2.128 0 1 IEAF COc1ccc2c(c1OC)C(=O)O[C@@]21ON(C)[C@@H]2Cc3cc4c(c(OC)c3[C@@H]21)OCO4 2356426314 UTIBECRJUMNGTP-LPCJOIQWSA-N 427.409 2.350 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4C(=O)O[C@@H]5C(=O)CO[C@@H]6O[C@H]([C@@H]4[C@]56O)[C@]3(C)CC[C@@]2(C)CC1 2356569778 RONRZGSTLXBTCD-DALJMBRGSA-N 444.524 2.053 0 1 IEAF CCS(=O)(=O)N1CCC2(CC1)OC(=O)C(C)=C2C(=O)N[C@H](C)CCc1ccccc1 20581807 CPJBRIIPSKHESN-MRXNPFEDSA-N 434.558 2.182 0 1 IEAF Nc1c(Cl)cc([C@H](O)CN2CCN(CCn3nc(Cl)ccc3=O)CC2)cc1Cl 26637075 NLRDCWLJWHMEJE-OAHLLOKOSA-N 446.766 2.137 0 1 IEAF CS(=O)(=O)Nc1cccc(-c2ccc3ncnc(NCCN4CCOCC4)c3c2)c1 33362346 PBFFHGRTFIRIGK-UHFFFAOYSA-N 427.530 2.412 0 1 IEAF COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@@H](C)CO2 95679763 FUIZAEPQMFWQLL-HYFFOGBASA-N 447.576 2.488 0 1 IEAF COc1ccc(-c2ccc3n(c2=O)C[C@H]2[C@H](CO)[C@@H](C(=O)N4CCCCC4)[C@@H]3N2C)cc1 95880079 DNUBDPZRJPBUDI-KZKAQZJJSA-N 437.540 2.130 0 1 IEAF CCN1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@@H]12 254114861 KIWMQFVGCTUQCE-VJANVALJSA-N 442.512 2.356 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)CCO)ncc3Cl)C2)cc1 261075997 AYFDHLRVDBKPCU-KBXCAEBGSA-N 433.940 2.413 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2c(C(=O)O)cc(F)cc2[nH]1 587179610 CFHXOXKWILDPBL-UHFFFAOYSA-N 430.133 2.104 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@H](c3ccc(F)cc3)C2)cn1 1772646585 ALBAROWOQXOADD-IBGZPJMESA-N 432.521 2.139 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)N[C@@H](CC(=O)OC)c2ccccc2)C[C@H](N)[C@H]1NC(C)=O 1857648536 UOMZCEPHFJYEHW-NNXSRULWSA-N 445.560 2.143 0 1 IEAF O=C(Cn1ccc(NC(=O)OCc2ccccc2)nc1=O)NCc1ccc2c(c1)OCO2 36389465 IIDIKZWDFKITIA-UHFFFAOYSA-N 436.424 2.037 0 3 IEAF O=C(CCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccc(F)cc1 2493571 WWCHGDVEAWTZPW-UHFFFAOYSA-N 442.516 2.299 0 1 IEAF COc1cc(C(=O)[C@H]2C(=O)OC[C@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272085 SBFWGSQTPPNJCO-ACJLOTCBSA-N 430.409 2.361 0 1 IEAF biogenic CC(=O)Oc1ccccc1C(=O)OCCCOc1nonc1S(=O)(=O)c1ccccc1 27868121 MITCJOZKKJIPPK-UHFFFAOYSA-N 446.437 2.454 0 1 IEAF CC(=O)OC[C@H]1O[C@@H](OC(C)(C)[C@@H]2CC=C(C)CC2)[C@H](O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 35086417 MMAWDOHNXONWOF-UFOPBENGSA-N 442.505 2.040 0 1 IEAF CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccccc3)c2)OC1(C)C 95578412 ZNFJDFYHYQOOEY-WBADGQHESA-N 429.513 2.283 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(Cc2cncnc2)CC1 95661037 HEBFGOCURPOVPS-QFIPXVFZSA-N 449.555 2.406 0 1 IEAF CNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 95886207 LCZNFVPWBVKYCJ-UTJXIGIESA-N 446.331 2.271 0 1 IEAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 95887775 OUTWOBHUWTVFCP-AKHDSKFASA-N 430.467 2.293 0 1 IEAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 95887778 OUTWOBHUWTVFCP-YDZRNGNQSA-N 430.467 2.293 0 1 IEAF CC(C)c1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 95906152 MMFQGAJZTXOTSF-HHXXYDBFSA-N 442.969 2.332 0 1 IEAF CCOC(=O)C1=C[C@]2(N[C@H]3Cc4c2ccnc4C3=O)c2cc(Br)cc(N)c2O1 963288426 AUJLHCOSCXFPCN-VBKZILBWSA-N 442.269 2.220 0 1 IEAF O=C(Nc1ccccc1)[C@@H]1O[C@@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC[C@H]1O 2356874120 YSTPRJLNCYNSRM-UQGKPAQOSA-N 437.540 2.205 0 1 IEAF CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)N[C@@H](C)CC)cc3)c(=O)c2=O)CC1 13150456 ILIHCISYHXXJOJ-HNNXBMFYSA-N 441.528 2.203 0 3 IEAF C[C@H]1CCC[C@H](NC(=O)NC(=O)COC(=O)C2=NN(c3ccccc3)C(=O)CC2)[C@@H]1C 13149832 KRSGTYDLNNZOCC-UXLLHSPISA-N 428.489 2.363 0 1 IEAF Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N[C@@H]4CCc5ccccc54)cc3)cc2n(C)c1=O 13678789 AVEYDODSONUKCQ-LJQANCHMSA-N 444.491 2.415 0 1 IEAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]1O)O2 27215498 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C/C=C1\CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 14718053 UEPZAGOCXMHAIE-FPNNZPQOSA-N 428.529 2.156 0 1 IEAF Cn1c(N2CCN[C@@H](c3cccc(Br)c3)C2)nc(-c2ccncn2)cc1=O 116774531 NPYVWOVJVRQTFZ-QGZVFWFLSA-N 427.306 2.151 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO 299883528 RMBIUPUSRMHUHG-SZVBFZGTSA-N 435.590 2.481 0 1 IEAF C[C@H]1COCCN1c1nc(N2CCCC[C@H]2CO)nc2nc(-c3ccc(=N)[nH]c3)ccc12 473228825 RLTHZQAMSNQHIO-RDJZCZTQSA-N 435.532 2.076 0 1 IEAF C[C@@H](C(=O)Nc1ccc(C[C@@H]2CC[C@H]([C@H](O)c3cccnc3)N2)cc1)n1ncccc1=O 653698611 KJQNVVRQSWUQHQ-WWTKIRLPSA-N 433.512 2.235 0 1 IEAF CNC(=O)Nc1sc2c(C3CC3)cc(NS(=O)(=O)c3ccn(C)n3)cc2c1C(N)=O 1857652293 MLOCFGGCIDDUAD-UHFFFAOYSA-N 448.530 2.163 0 1 IEAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](N(Cc2ccco2)Cc2ccco2)[C@H]1O 2356850024 PZQFXVGUDXULID-BAHGYDIPSA-N 439.512 2.298 0 1 IEAF C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 990534 DVSSZZYKNXCIRL-PZKYHXORSA-N 432.270 2.371 0 1 IEAF Cc1ncc2c(c1CNC(=O)c1ccc3c(c1)OCO3)CCN(C(=O)c1cnsn1)C2 12079449 LXMQTGNYZBFXME-UHFFFAOYSA-N 437.481 2.099 0 1 IEAF COc1cc(NC(=O)N2CCN3C(=O)[C@@H](CC4CCCCC4)NC(=O)[C@@H]3C2)cc(OC)c1 25221302 OCGQTWALKJPRQI-UXHICEINSA-N 444.532 2.217 0 1 IEAF biogenic CC(C)[C@@H](C(=O)N1CC2CCC(CC2)C1)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1 45498396 LRWYPBLDQZXMND-PMTKGXAQSA-N 431.562 2.438 0 1 IEAF CCN1CC[C@H](n2cc(S(=O)(=O)C3=[N+]4C=CS[C@@H]4N[C-]3Cl)c3cccnc32)C1 55862078 GDVOGCNBWCWEPL-KPZWWZAWSA-N 437.978 2.321 0 1 IEAF Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1 73160253 AVINCSKSPOENJS-UHFFFAOYSA-N 432.431 2.132 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C 82235302 PUZRZRBRQSFMFT-RTWAWAEBSA-N 444.576 2.113 0 1 IEAF CC(C)(C)NC(=O)NCCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 95592735 CLNSWSFDXSOPDM-UHFFFAOYSA-N 433.641 2.177 0 1 IEAF CN(C)C(=O)C(F)(F)[C@@H](c1ccc(C(F)(F)F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O 102946022 UJHMTYAZLDVNIW-LBPRGKRZSA-N 435.349 2.179 0 1 IEAF CCNC(=O)c1noc(-c2cc(C(C)C)c(O)cc2O)c1-c1cc(CNCCO)no1 118703241 FKWGYAQVZAMSKH-UHFFFAOYSA-N 430.461 2.363 0 1 IEAF C[C@H](Nc1cc(C(N)=O)nc(Oc2ccc(C(F)(F)F)cc2-c2ccnnc2)n1)C(N)=O 142386747 RQXRAZUATOCLFG-VIFPVBQESA-N 447.377 2.129 0 1 IEAF N#Cc1ccc2c(c1)[nH]c(=O)n2[C@@H]1CCN(C(=O)OC2[C@H]3CC4C[C@H]2CC(C(N)=O)(C4)C3)C1 147334961 PETROJIKXJLHCZ-SGVFRBSHSA-N 449.511 2.265 0 1 IEAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3nc(Br)c[nH]c-3n2)c1 587230082 FBMONEBQOJTOCB-UHFFFAOYSA-N 447.293 2.015 0 1 IEAF COc1ccc2c(c1OC)[C@@](C[C@H](C)C(=O)O)(C(=O)O)N(C(=O)c1ccccc1N)CC2 963142977 QNGBJBWBNFHUOM-NPMABZOXSA-N 442.468 2.375 0 1 IEAF CN1C=CN([C@H]2NC(C(Cl)(Cl)Cl)=CN2c2ccc(S(N)(=O)=O)cc2)C=C1 1772586340 SYRFJNUGQUESEZ-CQSZACIVSA-N 436.752 2.429 0 1 IEAF Cc1ccc2c(N)c(C(=O)NCCc3ccc(N4C[C@@H]5CNC[C@H](C4)O5)cc3)sc2n1 1857588883 AFRLEHKTRUUEAO-HDICACEKSA-N 437.569 2.336 0 1 IEAF CCn1cc(-c2ccc(C(=O)NC3CCS(=O)(=O)CC3)c(Cl)c2)n2cncc2c1=O 1857607992 UFVBQFHLAYMFPS-UHFFFAOYSA-N 448.932 2.143 0 1 IEAF C[C@H](O)[C@H](O)C=Cc1cccc(O)c1COCc1c(O)cccc1C=C[C@@H](O)[C@H](C)O 2356746260 IMWJOFJUOOBDIY-RZTYQLBFSA-N 430.497 2.324 0 1 IEAF CCOC(=O)[C@H]1CSCCS(=O)(=O)N1Cc1cc(F)ccc1Br 72104816 IJRMNZUWRNGFEH-CYBMUJFWSA-N 426.329 2.399 0 3 IEAF Cc1noc(C)c1CN1CCN2C=C(C(=O)Nc3ccc4c(c3)OCO4)OC2=NC1=O 205219724 WVJCPZXIJPCDBY-UHFFFAOYSA-N 425.401 2.124 0 3 IEAF CC[C@H](O)[C@@H]1C(=O)N2C(C(=O)O)=C(S[C@@H]3CCN(CC(=O)c4ccccc4)C3)S[C@H]12 26247653 RLWLWORYFZGMQS-QHHYFVSCSA-N 448.566 2.233 0 1 IEAF CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 95675920 PYJMYSQFCOCJMQ-JQHSSLGASA-N 442.969 2.161 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)C 95837729 PPTOEGBKCBKFEQ-JXXFODFXSA-N 426.517 2.116 0 1 IEAF Cc1c(C(=O)CC(=O)C(=O)Nc2ccccc2C(F)(F)F)[n+]([O-])c2ccccc2[n+]1[O-] 102962737 JFOHRKPZPBUCKX-UHFFFAOYSA-N 433.342 2.214 0 1 IEAF CCOC(=O)CCOCCCOCCc1nc2ccc(C3=C(C)CC(=O)NN3)cc2[nH]1 587568155 LGPUIOUHDWJEQL-UHFFFAOYSA-N 430.505 2.237 0 1 IEAF CC(C)Cn1c(N)c([C@@H]2N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587761812 WQHSBEXOBLOQHJ-MGPLVRAMSA-N 439.329 2.310 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1)C(N)=O 1857558508 LXCDCUPZXBOFJW-FQEVSTJZSA-N 448.527 2.014 0 1 IEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4[C@@H](C[C@@H](O2)[C@@H]4[C@@H]2C[C@H](C)C(=O)O2)[C@@H]3[C@@H]1C 2356420399 YPHURJCNLMUQQJ-MZESTRJWSA-N 431.485 2.241 0 1 IEAF CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1 2356436023 XULBFVALIRKFSW-KRWDZBQOSA-N 425.451 2.099 0 1 IEAF CC[C@H](C)[C@H]1CNC(=O)C(=O)N1CC1CCN(CCc2ccc(OC)c(OC)c2)CC1 61924311 UQPBLUWZRJEVCZ-FXAWDEMLSA-N 431.577 2.331 0 3 IEAF Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@@H]2CCCCN2C)C1 12039311 NNYLDKDJEDRNTK-UXHICEINSA-N 447.649 2.400 0 1 IEAF COC(=O)c1ccc(C[C@H]2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)cc1 13603533 KVOGJECMOCBCJV-OAQYLSRUSA-N 434.496 2.161 0 1 IEAF CC(C)Nc1nc2nc3cc(Cl)c(Cl)cc3cc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 32138680 WDMLYQYAVLMJPN-KCYZZUKISA-N 427.288 2.323 0 1 IEAF CC(=O)c1ccc2c(c1)N(C[C@](O)(Cn1cncn1)c1ccc(F)cc1F)C(=O)CO2 45335668 FTXXZHMJNMPRIG-OAQYLSRUSA-N 428.395 2.072 0 1 IEAF Cc1ncsc1CCn1c(=O)c(NCc2cccc(C(=O)O)c2)c2n(c1=O)[C@H](C)CN2 82211646 MCTOQCLSWRBULA-GFCCVEGCSA-N 441.513 2.314 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95687671 OHCKKWTUURNYIO-MRUHUIDDSA-N 441.532 2.165 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1)[C@@H]1C[C@@H]31 195185126 KHOAMOKCCGVUEC-QSMSVPEVSA-N 443.979 2.309 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4n[nH]c(C)n4)c(=O)n(C)c3nc12 621431440 HUFNAUFKQIQUQK-CYBMUJFWSA-N 432.488 2.045 0 1 IEAF C[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772597873 DRHKCEUMFIJJEQ-MAUKXSAKSA-N 437.548 2.008 0 1 IEAF C[C@@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1 1857603878 BNTQUFKUUAKTHO-CQSZACIVSA-N 425.558 2.314 0 1 IEAF O=C1C=C2[C@@H]3[C@H]([C@@H]4C[C@@]2(O1)[C@@H]1CCCCN41)[C@H]1[C@@H]3C2=CC(=O)O[C@@]23C[C@H]1N1CCCC[C@H]13 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440.500 2.107 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1cncnc1)O2 95729347 CJRCUHMGBGRKJG-WMGGKRPOSA-N 425.533 2.257 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1Cc1ccccn1 95880092 MSLNFNVZJMTGKV-YXPKMTABSA-N 449.482 2.386 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2cc[nH]cc-2n1 102201645 CWWDGRBNRLYWGX-HNNXBMFYSA-N 427.511 2.204 0 1 IEAF O=C(c1cc(F)ccc1-n1nccn1)N1CC[C@H]2CN(c3cc(NC4CC4)ncn3)[C@H]2C1 116826046 OMIGRHBORNOVFI-LIRRHRJNSA-N 434.479 2.122 0 1 IEAF Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@@H]3NC(=O)C2(N)CC2)n1 142249400 MDKZHOJYEIZDMH-HNNXBMFYSA-N 427.871 2.326 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[C@H]31 169294513 VUPXZFYWVQJPTN-NDJIEACQSA-N 441.963 2.085 0 1 IEAF COc1cc(-c2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)ccc1OCC(=O)NC(C)C 587217684 DLMYIMYNVSNTCN-UHFFFAOYSA-N 446.529 2.392 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](OC(C)=O)[C@@]4(C[C@@H]21)c1ccccc1N(C(C)=O)[C@H]34 2356423542 DCBUJUCXJASOBN-HYCYQJLMSA-N 436.508 2.187 0 1 IEAF C[C@H](O)[C@H](C)C(=O)O[C@H](C)CC=CC=C[C@@H]1CC[C@]2(C[C@@H]3OC(=O)[C@](C)(CO)[C@@H]3O2)O1 2356628276 NQHCVEOIXCDKGY-HNYPUYPNSA-N 438.517 2.026 0 1 IEAF C[C@H](O)[C@H](O)C=Cc1cccc(O)c1COCc1c(O)cccc1C=C[C@H](O)[C@@H](C)O 2356746261 IMWJOFJUOOBDIY-WGKKAQPQSA-N 430.497 2.324 0 1 IEAF N[C@@H]1C=CC[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C[C@@H]12 27629277 OZOADGWLMUOSBZ-JVLSTEMRSA-N 427.461 2.019 0 1 IEAF O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 35827714 YEPKGHKIZDVJEY-UHFFFAOYSA-N 442.896 2.449 0 1 IEAF CCc1nc(C(=O)N[C@@H](CSCNC(C)=O)C(=O)NCC2CCCCC2)cs1 82071041 ONTFEENZTAKCLB-HNNXBMFYSA-N 426.608 2.327 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 95865195 GXZGYWQVAMSKEN-HXUWFJFHSA-N 427.545 2.442 0 1 IEAF Cc1cc(F)cnc1-c1cc(N2CCN(S(=O)(=O)CC(C)(C)O)CC2)ncc1Cl 142150271 PFKYBJVKVXVCBR-UHFFFAOYSA-N 442.944 2.467 0 1 IEAF N[C@H](Cc1ccc(I)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 587185470 KAKOZQYPHWDQOX-LLVKDONJSA-N 442.282 2.057 0 1 IEAF Cc1cc(C)nc(OC2CN([C@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)n1 1772576449 XPFQKLCMFBPHFA-CQSZACIVSA-N 425.493 2.114 0 1 IEAF O=C1N=C2NNC(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)=C2[C@H](C(F)(F)F)[C@H]1O 1857556563 MGSSKLHSJWOWAY-GXTWGEPZSA-N 449.355 2.157 0 1 IEAF COc1ccc2cc(CN(C[C@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 8674170 VBQDDBCYKDFDDV-IBGZPJMESA-N 444.509 2.143 0 3 IEAF NS(=O)(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)c1nc2ccccc2[nH]1 40954171 DZSSEYYBKOEZBO-SFHVURJKSA-N 431.518 2.494 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82198612 MHSGLBLFZKLMJH-JJRVBVJISA-N 442.940 2.254 0 1 IEAF CCCNC(=O)N1CC2(CN(C(=O)CC)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO 95865940 QGHFLCQDPSWJEV-SFHVURJKSA-N 428.533 2.146 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 95879068 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433.537 2.288 0 1 IEAF Cc1noc(/C=C/N(C)C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCc2cccs2)C1 49694033 ZNRCQRSOSDGNPK-TUPIDYKKSA-N 438.575 2.294 0 3 IEAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(C)cc1)N[C@]21CCCN(Cc2cccn2C)C1=O 61921225 WJXNXZSBORNJQF-QTDDQOEGSA-N 434.540 2.160 0 3 IEAF CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@H]2[C@H]1C1(CCC1)C(=O)N2C(=O)C1CC1 3649689 YODDBSHHLFFXQX-ULQDDVLXSA-N 433.549 2.454 0 1 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO 4381828 ZOAMONKLMYFYBX-AYBZRNKSSA-N 429.542 2.100 0 1 IEAF CC(C)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819108 FQPDLFQJGSURHC-SKPFHBQLSA-N 426.513 2.444 0 1 IEAF C[C@@H](N)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 15970824 XBCIAIFMNHPXTN-IIBYNOLFSA-N 440.519 2.078 0 1 IEAF biogenic COc1cc2c(cc1OC)C(c1ccc(N(C(C)=O)C(C)=O)cc1)=NN(C(C)=O)C(=O)C2 28254992 YCEOXGZFGLRRHE-UHFFFAOYSA-N 437.452 2.287 0 1 IEAF COc1cc2nc(N3CC[C@H](NC(=O)c4ccoc4)C3)nc(NC[C@@H](C)O)c2cc1OC 82119108 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CC[C@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 82207900 GJXNBCGYIOJEFT-SFHVURJKSA-N 435.484 2.056 0 1 IEAF O=C(CC1CC1)N1[C@@H](CO)[C@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 95794883 HYWQUOXERVWZRC-UNMCSNQZSA-N 426.538 2.217 0 1 IEAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95797223 OMZRRYJSGQRHIY-ILZDJORESA-N 429.517 2.284 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1)c1ccccc1 95880099 YEKDNFMIHNYWEE-VUHBYISFSA-N 444.535 2.285 0 1 IEAF O=C(NCc1ccccc1F)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1CC1CCCC1 95881010 RZSKPYRTHIMURV-TWXAQOBRSA-N 439.531 2.458 0 1 IEAF CN(C)C(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 95887779 OUTWOBHUWTVFCP-OKYOBFRVSA-N 430.467 2.293 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 95892055 UITKDQSVNNFDEJ-DSKINZAPSA-N 441.528 2.475 0 1 IEAF O=C(c1coc2ccccc2c1=O)N1CCN(C(=O)c2coc3ccccc3c2=O)CC1 169318383 HHXMRJWDOCGCSJ-UHFFFAOYSA-N 430.416 2.498 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963222122 GGZXLYRYAANAJS-AVIFWULHSA-N 429.542 2.144 0 1 IEAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 1857623218 YFQAWMHNJIJEKU-FKIZINRSSA-N 442.468 2.461 0 1 IEAF COc1ccc(CN[C@H]2CCC[C@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 2356772693 GPAVCRUKHYJXAP-OALUTQOASA-N 428.533 2.415 0 1 IEAF CC(C)C[C@H](NC(=O)c1cccc2c1N[C@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27208058 SOWCNGSORKLXDE-IUUWJXCHSA-N 443.569 2.435 0 1 IEAF CCC(=O)Nc1ccc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1 71332763 IDUCVMPPUQEZII-UHFFFAOYSA-N 431.500 2.247 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82219326 UZHUMYVNAXQYRV-CKEIUWERSA-N 442.940 2.254 0 1 IEAF CC(=O)O[C@@H]1CCC(=O)[C@]2(C[C@H](c3ccoc3)OC2=O)C[C@H]2C(=O)C[C@@]3(C)OC[C@@]12O3 85976118 DYTCVGOCYHROAB-OCFOMNFNSA-N 432.425 2.030 0 1 IEAF biogenic COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO 95796222 DNCWFJGHBTUPKD-QFIPXVFZSA-N 449.551 2.463 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 95797510 HQCBKPSLTQNYDS-KZKAQZJJSA-N 434.540 2.063 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 95901655 KRQAAGOFZVBHDO-FCMRVMJTSA-N 445.560 2.020 0 1 IEAF N#Cc1ccc(S(N)(=O)=O)c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)c1 148860623 VYUVWHYOLSBKIV-UHFFFAOYSA-N 434.326 2.497 0 1 IEAF O=C(c1cccc(Br)c1)N1CCN(c2nn3nnnc3c3ccccc23)CC1 169312455 KROWXITYEKNRGE-UHFFFAOYSA-N 438.289 2.397 0 1 IEAF CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CN)c5ccsc5)n4)cnc23)CC1 169701256 XPCUPTAYHXVSFT-KRWDZBQOSA-N 435.561 2.112 0 1 IEAF CC(=O)O[C@H]1C[C@@H](C)[C@]23CC(=O)O[C@H](C2)[C@](C)(O)[C@@](C)(COC(=O)c2ccccc2)[C@@]13O 238748026 WVABBPGSYIRNDV-ADCAHEKWSA-N 446.496 2.009 0 1 IEAF C[C@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@@H]1F 653755632 DIEMOAODDWNPGF-PYJNHQTQSA-N 436.438 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169699266 QGTPASHVTHETNP-SNVBAGLBSA-N 433.488 2.454 0 1 IEAF Cc1[nH]c(C(=O)N[C@@H]2CCN(c3ncc(C(=O)O)s3)C[C@@H]2CO)c(Cl)c1Cl 299833190 KZGIPMALVAHUJA-RKDXNWHRSA-N 433.317 2.402 0 1 IEAF CCS(=O)(=O)c1ccccc1-c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 586923121 YWHMYFOYHYWWBT-UHFFFAOYSA-N 435.527 2.044 0 1 IEAF NC[C@@H](Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587069319 IOPJVSVMFIWYEA-GOSISDBHSA-N 441.963 2.251 0 1 IEAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)nc2[nH]c([C@]3(N)CCOC3)nc12 587248032 AGOCLIKVCYVPKK-QFIPXVFZSA-N 445.462 2.109 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4scnc34)CC1)CCC[C@H]2O 1772586170 ORRGIUCJVXIACQ-GOSISDBHSA-N 425.558 2.353 0 1 IEAF CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1 45321453 IWTMMMCAJYIIMH-UHFFFAOYSA-N 448.549 2.155 0 1 IEAF CC(C)(CO)Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1 49072346 WZJXSKVINRWMQK-UHFFFAOYSA-N 425.533 2.241 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C(C)=O)C1 95865187 AJVUIOQEUKYYNV-QFIPXVFZSA-N 447.535 2.405 0 1 IEAF CN1[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95879961 MGJYGUOUTHPATI-YJMBLLCNSA-N 425.504 2.260 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 100772062 YUCYEVHMFBEBSC-HSZZYMQTSA-N 432.557 2.054 0 1 IEAF endogenous,in-man O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CC[C@H](O)c3cccnc3)ccc1-2 143036813 DKAOVRWVJAWHND-OFNKIYASSA-N 449.507 2.322 0 1 IEAF NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2CC[C@H]1C21CC1 168550212 SPKNGNXXNHURBS-YALNPMBYSA-N 434.334 2.432 0 1 IEAF CS(=O)(=O)C1(c2nc(-c3cccc4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1 218165115 PMKPKMWCXGVWRU-ZDUSSCGKSA-N 426.498 2.256 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 587840132 JQZYYEZFHWJNBC-BMLIUANNSA-N 428.327 2.237 0 1 IEAF O=C(N[C@H]1CCCC[C@@H]1O)[C@@H]1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 1857638618 VZUWLKKPSZQUHU-VCOUNFBDSA-N 433.512 2.455 0 1 IEAF O=C(O)C[C@@H]1CCN(C(=O)C2CCC2)C[C@H]1CCN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 2356668651 XJBFQDJFGPWTOD-PMXSJFBMSA-N 441.572 2.397 0 1 IEAF C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 879132 MXEDNJXWJOCLQC-HNNXBMFYSA-N 426.502 2.478 0 3 IEAF O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CC[C@@H](O)C3)cc2)cc1 66076931 AVHORHSPKPWCEO-HSZRJFAPSA-N 436.556 2.317 0 1 IEAF CCCC[C@H](CC)[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235434 BJYZHKJVPLKMPM-AVRDEDQJSA-N 444.576 2.114 0 1 IEAF COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCCO)CC3)c2=O)cc1F 116017939 WOMVHFKOGGCXMG-GASCZTMLSA-N 443.479 2.384 0 1 IEAF CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(NCCO)c(C#N)c4)n3)cn2)CC1 221189880 ITONMNJULYBUAG-UHFFFAOYSA-N 445.531 2.459 0 1 IEAF O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 587186582 ZPFFFYNVQFWBCF-UHFFFAOYSA-N 440.197 2.277 0 1 IEAF COC(=O)[C@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 587783800 AMPLDOPRUFHJSD-UXHICEINSA-N 448.523 2.257 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC[C@H]2O 1772576685 NTVYYBXYUYDMTO-GOSISDBHSA-N 425.558 2.353 0 1 IEAF Nc1nc(-c2ccoc2)nc2c1ncn2[C@@H]1O[C@H](COCc2ccccc2)[C@@H](O)[C@@H]1F 1857647453 DNIUJVCGGBVPQJ-ICDONNSOSA-N 425.420 2.482 0 1 IEAF COC(=O)[C@]1(Cc2ccc3c(c2)O[C@H](C(C)(C)O)C3)OC(=O)C(O)=C1c1ccc(O)cc1 2356541491 DXVJWCRTDUCRKF-MHECFPHRSA-N 440.448 2.447 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3O[C@@H](NNC(N)=S)[C@H]2C)OCO4)cc(OC)c1OC 105523387 JUNCLJIIVWLKKX-KIPFWBAZSA-N 447.513 2.265 0 3 IEAF COC(=O)C1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@@H]3Cn2cc(-c3ccccc3)nn2)CC1 8299691 YVKFEEAYCBHIKW-HBMCJLEFSA-N 437.544 2.067 0 1 IEAF biogenic O=C([C@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2)N1CCN(c2ccccn2)CC1 65259613 QSTKJUSMTMWVGE-LJQANCHMSA-N 432.590 2.105 0 1 IEAF CC(C)(CC/C=C/Cn1ccc(=O)[nH]c1=O)NS(=O)(=O)c1cccc(OCC2CC2)c1 68197544 GTLFCAZXIQTPAX-HWKANZROSA-N 447.557 2.419 0 1 IEAF CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 82209274 PDXULOPJMXYZBM-SFHVURJKSA-N 439.560 2.495 0 1 IEAF CCN1[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 95880164 VZNFMFGSMSODCJ-IQFVJIFQSA-N 444.535 2.210 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)N(CC)[C@@H]21 100139175 YBSZOJRJDDVCFH-DRQXVCJJSA-N 425.504 2.320 0 1 IEAF CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 101411460 IGXFJCQPBHLTNL-ZQAYVECASA-N 443.475 2.167 0 1 IEAF Cc1nc(-c2c(C)c3ccc(O)c(C=O)c3oc2=O)sc1C(=O)N1CCN(C)CC1 261178303 VKOJOFPGUXSZBC-UHFFFAOYSA-N 427.482 2.439 0 1 IEAF CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1 299880011 LPLAQDJSDHYUND-UKRRQHHQSA-N 426.477 2.282 0 1 IEAF O=S(=O)(c1cc2c(=Nc3ccc(F)c(F)c3)[nH]n(C3CC3)c2cn1)N1CCOCC1 1911584389 NIDHIBMJPRGIST-UHFFFAOYSA-N 435.456 2.231 0 1 IEAF CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCCNC1=O 1911585134 LDRCFUZHPOEDIM-BVSLBCMMSA-N 444.620 2.303 0 1 IEAF COC(C)(C)[C@@H](O)COc1c2ccoc2c(OC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 2356544258 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431.493 2.153 0 1 IEAF CCNC[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CNCC)cc1)=C2 95605547 NJIRUTUUGUANOB-YADHBBJMSA-N 442.556 2.318 0 1 IEAF CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 103030343 IGXFJCQPBHLTNL-RTXPOLOASA-N 443.475 2.167 0 1 IEAF COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 169361626 FKCKHHUOKPWTNI-BBTUJRGHSA-N 435.480 2.171 0 1 IEAF Cc1c(Br)cc2nc(-c3cccc(S(=O)(=O)NCC(N)=O)c3)[nH]c2c1C 586937302 YGGNDPAZAHXEOO-UHFFFAOYSA-N 437.319 2.373 0 1 IEAF COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587580531 IYCIZOWCLVJEGO-WMZHIEFXSA-N 436.420 2.423 0 1 IEAF CCOc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)CCC3)cc1 1772588463 UQGGIKYILSHWGI-SMQFJCFBSA-N 448.943 2.333 0 1 IEAF COc1cc2c(cc1OC[C@@H](O)CN1CCN(c3ccccc3)CC1)CO[C@@H](C)C2=O 1857556521 HWDDPYMZPSKVKD-PXNSSMCTSA-N 426.513 2.359 0 1 IEAF COc1ccc(CN2C[C@@H]3CN(S(=O)(=O)c4ccc(OC)cc4)CCN3C2=O)cc1 2356418412 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O=C(N[C@H]1CC[C@@H](CCn2cc(-c3cccnc3)nn2)O[C@H]1CO)c1ccccc1F 95569732 USSZBVMKFITLQI-LRQRDZAKSA-N 425.464 2.208 0 1 IEAF O=C1CC[C@H](C(=O)N2CCN(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)N1 166020192 YMKQSBAUDKESDT-OAQYLSRUSA-N 433.512 2.162 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@H]3c4ccccc4O[C@H]3C2=O)CC1 195218832 RNPHYHTVIULEDY-URZJWIJPSA-N 436.512 2.260 0 1 IEAF CC(=O)O[C@H]1[C@H]2O[C@]23[C@@H]2CC[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]2CC[C@]3(C)[C@H]1C1=CC(=O)OC1 255219185 IBOOGCDOTFXKQR-MWLLKOSLSA-N 446.540 2.277 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1[C@@H]1C[C@H]1C 962043482 KKUPEHMONCGOPA-RMBUZKDDSA-N 435.524 2.075 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cncc4sccc34)CC1)CCC[C@@H]2O 1772640974 LSWAIDPZAGTFNI-IBGZPJMESA-N 425.558 2.353 0 1 IEAF C[C@@H]1O[C@@H](O)C[C@@](C)(N)[C@H]1O[C@H]1CC[C@H](OC(=O)c2cc(Br)c[nH]2)[C@@H](C)O1 1857599454 DRLYHNKGAYRXPD-GYOGUEERSA-N 447.326 2.057 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@@H](CNC(=O)c3cncnc3)C=C2C)CC1 2356319576 NNPYXSFKBUPJPL-TUNNFDKTSA-N 441.576 2.142 0 1 IEAF C[C@H](O)[C@H](C=Cc1cccc(O)c1CO)OCc1c(O)cccc1C=C[C@@H](O)[C@H](C)O 2356563950 GMFSMTQDXLWFSS-PPELCYSXSA-N 430.497 2.324 0 1 IEAF CC(C)(C)OC(=O)NCCCCCC(=O)OCN1C(=O)c2ccccc2S1(=O)=O 13782125 AGPHENLELATUSD-UHFFFAOYSA-N 426.491 2.417 0 1 IEAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](C(C)C)N3)cc1 82206222 QLALXUOISCZPGX-HXUWFJFHSA-N 448.527 2.474 0 1 IEAF C[C@H](O)CNC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82220454 FDYADCLMOATNAT-NBHGPNQESA-N 440.544 2.071 0 1 IEAF CC(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CO[C@@H]2[C@H](OCc3ccccc3)CO[C@@H]21 84740730 HICQRSUXWXXZFA-FLWJIMEMSA-N 428.510 2.093 0 1 IEAF COc1nc(N)nc2c1ncn2[C@@H]1O[C@@H]2CO[P@@](=O)(OC3CCC3)O[C@H]2[C@@]1(C)F 95578439 QJVPCJFBAVEYNN-DSQUMVBZSA-N 429.345 2.135 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C 95679678 FMLIOVYWMFMXNA-VTJXTGGHSA-N 431.533 2.388 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95881453 VJGVMCSFSOLAAN-KZKAQZJJSA-N 449.482 2.386 0 1 IEAF COC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 95900086 NPRGNJUPYHXXCW-QTRJSKNGSA-N 433.482 2.045 0 1 IEAF O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95905709 MJPBAXXGMLUHIX-XJABCFGWSA-N 439.491 2.137 0 1 IEAF CC[C@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1)C(=O)c1nc2ccccc2o1 96907130 CZCDHQRAGSWXBW-RYRKJORJSA-N 441.509 2.110 0 1 IEAF CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3c(cc[nH]c3=O)N2)c(O)c2ccccc21 101825509 MDTSWLZLKXRBTI-UHFFFAOYSA-N 428.470 2.003 0 1 IEAF CC(C)[C@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116185290 KRLGIZUJWLSHPV-GOSISDBHSA-N 432.488 2.440 0 1 IEAF C[C@H]1CN2C[C@H]3C[C@@H]3[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3ccccn3)n[nH]c2C1(C)C 149320711 DFTFHQDUBREJBB-JTOWHCCKSA-N 435.532 2.252 0 1 IEAF O=C(CCN1C(=O)c2ccccc2C1=O)c1[nH][nH]c2c(O)n(-c3ccc(F)cc3)c(=O)c1-2 169691205 BTLUILXZYWMYFA-UHFFFAOYSA-N 434.383 2.312 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccnc(Br)c3[nH]2)[C@@H](C)O)cc1 586936170 HUAJSZGGDPWOQP-NOZJJQNGSA-N 441.307 2.129 0 1 IEAF Cc1cc(C(=O)NCc2ccc(CNS(=O)(=O)c3ccc4c(c3)CCO4)cc2)n(C)n1 1772647495 ONRILUBYKKOXAP-UHFFFAOYSA-N 440.525 2.072 0 1 IEAF Cc1c(C(=O)N2CCC(OCC(F)(F)F)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857598217 ARSYGLHLINRYKS-UHFFFAOYSA-N 425.411 2.349 0 1 IEAF C[C@H]1CC[C@@H](C)OC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)C1=O 2356484115 JFXPTGJYLLVAFU-SQIBXOBRSA-N 428.529 2.272 0 1 IEAF COC(=O)C1(C(=O)OC)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CC(C)=O 95600736 QONROEQURZJKSO-LJQANCHMSA-N 445.493 2.135 0 3 IEAF CCCCN1CCS(=O)(=O)N(Cc2ccccc2Br)C[C@@H](C(=O)OC)C1 169341302 ZPJOBNRYVTUMFL-INIZCTEOSA-N 447.395 2.486 0 3 IEAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](Cc4ccccc4)cc3)C[C@H]12 27524950 PSZVWSFIDWNARN-QKYXUNIQSA-O 440.545 2.075 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cc[nH]cc-2n1 100872360 YKDGUSPLRQPKMU-AWEZNQCLSA-N 427.511 2.204 0 1 IEAF O=C(O)c1nn(-c2ccc(CN3CCOCC3)cc2)c2c1CS(=O)(=O)c1ccccc1-2 112943224 GDDUJNNRYRBMCG-UHFFFAOYSA-N 439.493 2.357 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2cc([C@@H](CN)Cc3ccccc3)ccc2F)c1 114261197 QQSQJTIMNPKWSG-GOSISDBHSA-N 432.521 2.202 0 1 IEAF NC(=O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2 144862868 BSWRFBYMVXLGJS-HXUWFJFHSA-N 433.386 2.185 0 1 IEAF O=C1N(CCCCN2CCN(c3cnccn3)CC2)C(=O)C23[C@@H]4C=C[C@H](C4)C12[C@@H]1C=C[C@H]3C1 169303456 FGTBEZXHSMREKK-JHPVIZLTSA-N 445.567 2.132 0 1 IEAF COc1cc2nc(Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)[nH]c2cc1OC 586957205 ROUQSXMVTCDKGJ-UHFFFAOYSA-N 447.513 2.200 0 1 IEAF Nc1ncc(Br)cc1S(=O)(=O)NCCC(=O)Nc1cccc(Cl)c1 20761132 ACOHGTJLWQJSIZ-UHFFFAOYSA-N 433.715 2.387 0 3 IEAF CC(C)C[C@@H](N)C(=O)N1CCC(C(=O)N[C@@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 15958296 FEFXTOZCHYSOSN-NHCUHLMSSA-N 448.583 2.195 0 1 IEAF biogenic CCCCOc1c(OC)ccc2cc(C(=O)NCCc3cn(CCF)nn3)c(=O)[nH]c12 72178695 UUDSOVGGCULQFR-UHFFFAOYSA-N 431.468 2.249 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 100678955 VUPXZFYWVQJPTN-OWVDYMSYSA-N 441.963 2.085 0 1 IEAF CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H](N)[C@H](c4cc(F)c(F)cc4F)C3)n2)c1 136963349 UNKYYGBTNCKVGW-KSSFIOAISA-N 449.458 2.291 0 1 IEAF O=C(NC[C@H](c1ccc(C(F)(F)F)nc1)N1CCOCC1)[C@@H]1COc2ncsc21 223961236 FBNQMSCEOQSEST-CHWSQXEVSA-N 428.436 2.223 0 1 IEAF Oc1nc(=Cc2ccc(OCCCc3cccnc3)cn2)c(O)nc1=Cc1ccccc1 261182278 WIKWBAPCGSAZJU-UHFFFAOYSA-N 426.476 2.347 0 1 IEAF O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2cccnc2)cc1)c1ccccc1 26190163 VNQDFZASGRYFMC-FQEVSTJZSA-N 427.526 2.454 0 1 IEAF Cc1ccccc1OC[C@@H](O)CNCCC(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27100088 MKSAJBJQAOHVDL-PXNSSMCTSA-N 438.528 2.213 0 1 IEAF Cc1c(C(=O)NCCNC(=O)[C@@H](N)Cc2c[nH]c3ccccc23)[nH]c2ccc(C(=O)O)cc12 72122021 IISFXCVGDPRLFK-SFHVURJKSA-N 447.495 2.072 0 1 IEAF CC1(C)O[C@@H]2[C@H](O)[C@H](COC(=O)c3ccccc3)O[C@]2(COC(=O)c2ccccc2)O1 85916125 IMNKXAYTGBFQER-RTXPOLOASA-N 428.437 2.308 0 1 IEAF biogenic COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 95665768 VQANZHUJAPFUQZ-LJQANCHMSA-N 433.574 2.229 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95854860 HGTBFUICODGLJG-VLXJIEOASA-N 445.520 2.375 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@H]2N1C(=O)CC1CC1 95880210 BGPZWDPZFLVZRG-RPHTVSPISA-N 440.471 2.118 0 1 IEAF CNCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1 168453667 ZJHMMVKIODETPW-LYIQGSDWSA-N 425.352 2.008 0 1 IEAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCN=c3ccn(Cc4ccccc4)cc3)C[C@H]12 377829924 PSZVWSFIDWNARN-QKYXUNIQSA-N 439.537 2.078 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCN(C)CC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O 587436869 BSHQYOAURKMROK-GAJHUEQPSA-N 446.507 2.252 0 1 IEAF C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772644962 OMZYWFZESJTRNA-MAUKXSAKSA-N 445.527 2.490 0 1 IEAF CN(C)[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 1857560423 KHAJHJGCFLCBJJ-RZDIXWSQSA-N 438.594 2.196 0 1 IEAF O=S(=O)(c1cnc2ccc(-c3cccnc3)nn12)N1CCN(Cc2ccccc2)CC1 1857641162 QQPWRJOEAWKEMM-UHFFFAOYSA-N 434.525 2.298 0 1 IEAF Cc1cc(O)c([C@@H]2S[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(OC(C)C)cc1 1857764271 ZRJNSAKWAORJCP-ZQGJOIPISA-N 434.554 2.310 0 1 IEAF CC(C)NC(=O)CN1CCN([C@@H](c2cc3ccccc3o2)c2nnnn2C(C)(C)C)CC1 95570079 PPKJNBPWFTWXIB-NRFANRHFSA-N 439.564 2.406 0 3 IEAF Nc1ncnc2c1ncn2C[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22442178 IOJQHUZPSPYORM-NRFANRHFSA-N 443.555 2.177 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)N(CCC(F)(F)F)[C@@H]21 95869186 IGGZKJAIRPIHAS-CJTUJAKVSA-N 439.478 2.466 0 1 IEAF CN(C)C(=O)COC1CN(C(=O)c2ccc3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144715122 JEWNKIJGFPZINZ-NRFANRHFSA-N 434.414 2.394 0 1 IEAF Cc1cnc(-c2cc(N3CCn4cc(C(=O)N5CC(O)C5)nc4C3)ncc2Cl)c(C)c1 169342740 PSLAXNCPANESDJ-UHFFFAOYSA-N 438.919 2.447 0 1 IEAF CN(C)c1ncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)nc2)s1 223402204 HAUVZWHUDCNQPY-UHFFFAOYSA-N 442.526 2.015 0 1 IEAF Cc1cccc(-c2ccc(COCCCCCN3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)c1 299820030 GBGOUGJOHMBDPJ-ZFFYZDHPSA-N 429.557 2.108 0 1 IEAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586935146 FLFNNQVKPNNGAG-UHFFFAOYSA-N 439.563 2.323 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586946245 PNGJZSMOGRHRKX-ZDUSSCGKSA-N 442.497 2.327 0 1 IEAF CN(C)S(=O)(=O)c1cccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c12 587023495 DJQRAGQLDPWNQX-UHFFFAOYSA-N 438.535 2.603 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O 653779676 INIOCTHVKZPQOK-VGWMRTNUSA-N 443.568 2.473 0 1 IEAF NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CC[C@@H](C(=O)O)C2 1772574119 GNOVYNCNQYWVCZ-OAHLLOKOSA-N 443.525 2.121 0 1 IEAF O=S(=O)(Nc1cc2c(O)nccc2cc1F)c1ccc(N2C[C@H](F)[C@H](O)C2)s1 1772644314 JOKGGIOBLBGJDN-GXTWGEPZSA-N 427.454 2.461 0 1 IEAF COc1ccccc1N1CCN(C(=O)[C@@H]2O[C@H](CCN3CCCCC3)CC[C@H]2O)CC1 2356851002 QCWHWSYDTGSEFE-XKCSPQBFSA-N 431.577 2.128 0 1 IEAF CNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)CC1 26840637 OTFOLBPJZMDYME-QFIPXVFZSA-N 442.560 2.180 0 1 IEAF CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O 27424465 OUKZJCOFMACUOO-BTYIYWSLSA-N 448.468 2.147 0 1 IEAF CCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@@H]1CO 95864629 BDKSCZZKLANYDK-SFHVURJKSA-N 428.533 2.144 0 1 IEAF COc1cccc(-n2c(CNS(=O)(=O)c3ccc(N)cc3)nc3ccccc3c2=O)c1 98082819 BBMXNHGWUCHPHI-UHFFFAOYSA-N 436.493 2.455 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@@H]1c1ccccc1OCc1nonc1C(N)=O 100049418 MCHMSWDIWZCSRF-AWZALFRUSA-N 442.428 2.169 0 1 IEAF CCN(Cc1ccc(F)cc1)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O 101295242 PEUJGVAASXDDNE-UHFFFAOYSA-N 426.448 2.422 0 1 IEAF CO[C@H]1COC(=O)[C@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C 137294951 KBHPPKYRDDJVFM-XNFWNVKFSA-N 426.506 2.461 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1 219014427 PFBFTZDMVYIOGT-WZONZLPQSA-N 449.599 2.047 0 1 IEAF CNS(=O)(=O)c1ccc(CCc2nc3ccc(C4=C(C)CC(=O)NN4)cc3[nH]2)cc1 586945951 DDBSCMZUZZLEBV-UHFFFAOYSA-N 425.514 2.012 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3ccnc(N)c3[nH]2)cc1 586953805 ZZNYBQHAUAYJRL-HNNXBMFYSA-N 446.533 2.393 0 1 IEAF COC(=O)[C@@H]1CC(=O)[C@@H](OC(C)=O)C[C@@]12c1ccsc1CCN2Cc1cccnc1 963002665 CZDBOYPWBSNHBD-LQBOVUBWSA-N 428.510 2.481 0 1 IEAF Cc1c(O)ccc2c1[C@](c1nnc3c(Cl)nccn13)(C(F)(F)F)N[C@H](C(=O)O)C2 963508707 LRSQLVKFVAYBNP-FVMDXXJSSA-N 427.770 2.197 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(Cc2nccs2)C1 95868714 SVKBGUCTTNAHKT-GOSISDBHSA-N 426.542 2.293 0 3 IEAF CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)CC(=O)NC3CCCC3)c21 9560343 MAZRJRFHFXJWPO-UHFFFAOYSA-N 429.336 2.191 0 1 IEAF O[C@H](COc1[nH]cnc2ncnc1-2)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22442978 FHXMJQFJPPIOBL-NRFANRHFSA-N 444.539 2.451 0 1 IEAF O=C(O[C@H](C(=O)O)[C@H](OC(=O)c1ccc(F)c(F)c1)C(=O)O)c1ccc(F)c(F)c1 27557022 JCZWQKFRLKCJDO-KBPBESRZSA-N 430.262 2.163 0 1 IEAF O=C(N[C@@H]1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1 28818317 OJDVPOOGBKNXRM-LJQANCHMSA-N 427.888 2.110 0 1 IEAF CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1 84758284 AYTORLKNNKQBPO-MJGOQNOKSA-N 444.557 2.127 0 1 IEAF CCCNC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 95900135 ALBNIJOYEDEARG-MDRHQERFSA-N 425.485 2.245 0 1 IEAF CC(C)COc1cccc([C@@H](C)CS(=O)(=O)CCCOCn2ccc(=O)[nH]c2=O)c1 96172699 ZWMDAXGEDJYCFS-KRWDZBQOSA-N 438.546 2.154 0 1 IEAF CCN(CC)CCCn1c(=O)/c(=C/c2ccccc2O)s/c1=C1\C(=O)Nc2ccccc21 101747724 LYLYQNLOKJYCTC-HYNDBUNPSA-N 449.576 2.327 0 1 IEAF O=C(Nc1nc2cccc(-c3ccc(CN[C@@H]4CCS(=O)(=O)C4)cc3)n2n1)C1CC1 118392743 UABXGLFOIASIQY-QGZVFWFLSA-N 425.514 2.022 0 1 IEAF N=C(N)NCCC[C@H](NC(=O)c1coc(C(c2ccccc2)c2ccccc2)n1)C(=O)O 143836754 BAXWQAVOSJXPIM-KRWDZBQOSA-N 435.484 2.301 0 1 IEAF NC(=O)c1cccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 148438612 DUXBPQLQHLWXNU-SFHVURJKSA-N 434.456 2.302 0 1 IEAF COC(=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1OC 587203716 RWVMRDFTZFGABU-OAHLLOKOSA-N 427.413 2.280 0 1 IEAF CN1[C@H](CCC(=O)NCc2ccccc2)CNC(=O)[C@H]2[C@H]1CCN2Cc1ccc(F)cc1 2356813411 CGPDHCVTMCOGPQ-CQOQZXRMSA-N 438.547 2.295 0 1 IEAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@H]32)nn1 25418578 JGUZKXNUIYDALY-CBBWQLFWSA-N 442.350 2.040 0 1 IEAF biogenic CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)c1nnn[nH]1 26827688 AXQCIBPTWQEKAE-IRXDYDNUSA-N 430.509 2.254 0 1 IEAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ncc(C(=O)NCCN(C)C)s4)cc3c21 28902426 CTXBCAFOAPKNCW-LLVKDONJSA-N 440.529 2.015 0 1 IEAF COc1ccccc1N1CCN(C[C@H](O)CCN2C(=O)CC3(CCCC3)CC2=O)CC1 29408722 ZEELOWGOZGVPIS-LJQANCHMSA-N 429.561 2.278 0 1 IEAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C 95688313 CBUFPLKBNRJCSB-FIKGOQFSSA-N 435.565 2.488 0 1 IEAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 95887776 OUTWOBHUWTVFCP-MKXGPGLRSA-N 430.467 2.293 0 1 IEAF CN[C@@H]1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1 114197192 ASMWJUHBWHAICQ-FGZHOGPDSA-N 440.569 2.248 0 1 IEAF CC[C@@]1(CO)CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1 117619923 JCDFDRAISKKNCJ-LLGFUMIMSA-N 435.594 2.377 0 1 IEAF CC1(C)NC(=O)N(C[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 1857769549 PTJNFOHRMGJLPA-OAQYLSRUSA-N 436.556 2.085 0 1 IEAF O=C1CCC2(C=CC(=O)NCCCCNCCCNC(=O)C=Cc3ccc(O)c2c3)CC1 2356525543 RXFSZEHSQXSBSX-UHFFFAOYSA-N 439.556 2.348 0 1 IEAF O=C(CN(C(=O)[C@H]1CSC(=O)C1)c1ccccc1F)NCc1ccc2c(c1)OCO2 1328225 WDBZPJJITBTJQJ-CQSZACIVSA-N 430.457 2.484 0 3 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[C@H]4C=CC=C[C@H]43)N2C1=O 40423640 OIRIAMGQIQWDIM-NWDASVTGSA-N 442.604 2.040 0 1 IEAF COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@]23CCC(=O)N(CC(C)C)C3=N1 66138528 CSLNUURQFOEPKF-AUSIDOKSSA-N 425.485 2.033 0 1 IEAF O=C1C(=O)N(CCCCF)c2ccc(S(=O)(=O)N3CCC[C@H]3COCCF)cc21 95604181 IDXGNHSBSFGHCS-AWEZNQCLSA-N 430.473 2.105 0 1 IEAF O=C(NCC1CC1)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95880951 MTJOLRCTLDSTSO-IQFVJIFQSA-N 433.552 2.415 0 1 IEAF COc1cc(Nc2ncnc(Nc3ccccc3C(=O)NCCO)n2)cc(OC)c1OC 96273918 YSBXFEBTTLVRBX-UHFFFAOYSA-N 440.460 2.107 0 1 IEAF O=C1C(=O)N(CCN2CCOCC2)[C@@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 100277180 JHYUWFONBPXUGF-RTWAWAEBSA-N 433.464 2.112 0 1 IEAF O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@H]1C(=O)c1cc2ccccc2o1 100277184 JHYUWFONBPXUGF-LEWJYISDSA-N 433.464 2.112 0 1 IEAF Cn1cc(S(=O)(=O)NCCOc2cccc([C@@]3(Cc4ccccc4)CCNC3)c2)cn1 114261049 CFTHJDDWWCKSQB-HSZRJFAPSA-N 440.569 2.251 0 1 IEAF Cc1nccc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)n1 118680167 QMIQJOUVTUIKMM-UHFFFAOYSA-N 429.488 2.370 0 1 IEAF NC1=N[C@]2(CO1)c1cc(NC(=O)c3ncc(Br)cn3)ccc1OCC21CC1 149354840 RUPHOSKJXJYHAD-GOSISDBHSA-N 430.262 2.204 0 1 IEAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@H]1C2 261174436 UNOQZKVEUMPMMM-HLLQZAQXSA-N 440.529 2.012 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(CO)cc3[nH]2)C(C)C)cc1 586932385 DLJCJJSOFTWQGT-HXUWFJFHSA-N 430.530 2.367 0 1 IEAF COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587806548 JXOIOSFMHHHDMP-VXHJJYBXSA-N 442.281 2.259 0 1 IEAF CN(C)CCn1nnnc1SC[C@@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 1772578456 QHXORWQJCWUMAN-KRWDZBQOSA-N 442.376 2.418 0 1 IEAF O=C1N=C2NNC(C3CCN(c4cncc(C(F)(F)F)c4)CC3)=C2[C@@H](C(F)(F)F)[C@H]1O 1857557522 SHYWIQNIQHTNRX-TZMCWYRMSA-N 449.355 2.157 0 1 IEAF COC(=O)c1ccc2c(c1)nc1n2[C@H](CNCc2ccc(S(C)(=O)=O)cc2)COC1 2356298908 JICGUOJHEASJIW-MRXNPFEDSA-N 429.498 2.088 0 1 IEAF COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N32)c1OC 26771955 NTPDEYXVKIHSHI-AUSIDOKSSA-N 449.507 2.252 0 1 IEAF biogenic CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cc(/C=C/C(=O)OC)ccc3nc2-1 27900890 HBVRISWIWYPDJL-COIATFDQSA-N 432.432 2.266 0 1 IEAF CC(C)=CCn1c(N2CCC[C@H](N)C2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 28825089 PKKUANXEDPALTC-IBGZPJMESA-N 436.560 2.033 0 1 IEAF CCC(CC)[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C 82235972 JJFTVTHYPWEIGH-UWJYYQICSA-N 444.576 2.031 0 1 IEAF CN(C)S(=O)(=O)Nc1nc(-c2nnc(Cc3ccc(F)cc3)o2)c(O)c2ncccc12 96901357 KNCYPTNNPJXEKG-UHFFFAOYSA-N 444.448 2.334 0 1 IEAF O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 101986643 QIHOKWNYMSJTBL-DJIMGWMZSA-N 433.436 2.459 0 1 IEAF CC(C)Nc1nc(-c2ccc(NC[C@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 115626514 QKKCQHQGXJQSPX-ZDUSSCGKSA-N 445.545 2.012 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)c1ccccc1)c1ccccc1 253671073 GFWCASGSHHDONA-FXSSSKFRSA-N 441.487 2.242 0 1 IEAF CO[C@H]1[C@H](OC)[CH][C@@H]2C[C@H](C)[C@](C)(O)C[C@@H]3[CH][C@@H](OC)[C@@H](OC)[C@@H](OC)[C@@H]3[C@H]2[C@H]1OC 255262351 RGYOJVWNESXQND-NBURABHQSA-N 442.593 2.158 0 1 IEAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3c(O)nc(N)nc3[nH]1)C(=O)OC2 586915188 HVUOUJJJBUKANP-RUDMXATFSA-N 425.445 2.455 0 1 IEAF Cn1nc(-c2nc3cc4c(cc3[nH]2)NC(=O)CC4)c(I)c1C(=O)O 587181161 NVRJWVXWCHUOTL-UHFFFAOYSA-N 437.197 2.151 0 1 IEAF CCOC(=O)[C@]1(c2ccc(C3OCCO3)s2)NCCc2ccc(C(=O)N(C)C)cc21 962934996 XCXBEHJVPSODNM-QFIPXVFZSA-N 430.526 2.448 0 1 IEAF C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 1772644961 OMZYWFZESJTRNA-CRAIPNDOSA-N 445.527 2.490 0 1 IEAF O=C(Oc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCN(c2ccc(F)cc2)CC1 1857608074 MTTDAZJFYUHFCD-UHFFFAOYSA-N 433.505 2.382 0 1 IEAF CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)O 2356722099 YBADDKHQARQTBB-ZXNZYJFHSA-N 447.576 2.222 0 1 IEAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)NCCc2ccc(Cl)cc2)C1 6577150 YVTWJDYSFXLGRG-KRWDZBQOSA-N 438.981 2.450 0 3 IEAF OCCN(CCO)CCNc1cc2c(Nc3cccc(Br)c3)ncnc2cn1 21289131 HESSFGACSQOVPK-UHFFFAOYSA-N 447.337 2.229 0 1 IEAF Cc1cc(CN2CCn3c(nc(C(=O)NCc4ccc(F)cc4)c(O)c3=O)C2(C)C)on1 36520157 HQRFQEVXZILSAU-UHFFFAOYSA-N 441.463 2.065 0 1 IEAF COCCCN(C(C)=O)[C@H]1CC(C)(C)Oc2ccc(C(=O)NCCN3CCOCC3)cc21 82171893 RSKVZRMEZJZCFB-NRFANRHFSA-N 447.576 2.236 0 1 IEAF COC(=O)C[C@@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 95599573 CXAVERPQLGMZKL-YJLNNSPDSA-N 443.456 2.179 0 1 IEAF CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCCc1ccccc1 95879425 RZRQPTQMPRSRJU-VLYJIQRVSA-N 443.547 2.468 0 1 IEAF O=C(N[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O)C1CCCC1 217106325 QLUDYUITNJBHDO-BKRIMNEDSA-N 438.568 2.439 0 1 IEAF CC1(C)C[C@H](NCCCN2CCCC2=O)c2cc(C(=O)N3CCC(O)CC3)ccc2O1 2488139 QOHIQPFFLUBJMS-FQEVSTJZSA-N 429.561 2.488 0 1 IEAF CCCNC(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(=O)CC)CC2 2601836 HLRJULGQONCMFT-UHFFFAOYSA-N 431.352 2.438 0 1 IEAF C[C@H]1CNC(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3)c(Cl)cc2S)=NN1 4642512 SDBSNALROIGUQP-JTQLQIEISA-N 439.950 2.012 0 1 IEAF NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)F 27728055 RTBALMSTNAERMH-HOTGVXAUSA-N 443.362 2.105 0 1 IEAF O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@H]2C1 72175524 QVWWEXYKGZCQPQ-FGTMMUONSA-N 434.452 2.452 0 1 IEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 82197722 XFAZEUCOKRLPHX-YCWGCJNMSA-N 441.572 2.309 0 1 IEAF COc1cc(CC[C@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@H](C)O)c2)ccc1O 85632484 FJOVRIHOOSOTRE-LPHOPBHVSA-N 447.528 2.299 0 1 IEAF biogenic,in-vitro CN(C)C[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CN(C)C)cc3OC2)cc1 95601052 IHOIZOWOLOPNOK-FCHUYYIVSA-N 442.556 2.222 0 1 IEAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888446 GCTHDWJSWMFTNQ-SUMDDJOVSA-N 432.521 2.123 0 1 IEAF CC(C)Nc1nc(-c2ccc(N[C@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 115625645 KGYDCQNEMLHBJJ-CYBMUJFWSA-N 445.545 2.012 0 1 IEAF CN[C@H]1CC[C@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc34)C2)CC1 148970384 FZYHDASLGVWZGX-FZNQNYSPSA-N 436.482 2.392 0 1 IEAF O=C(N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCc2conc2-c2ccc(F)cc2)nc1 149314447 GLJTXBCIQTUKNN-QGZVFWFLSA-N 431.445 2.372 0 1 IEAF COc1ncccc1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1 169699463 IXPLNJWCGGPKFX-LBPRGKRZSA-N 442.549 2.099 0 1 IEAF CC(=O)O[C@@H]1[C@H]2C(=O)c3ccoc3C[C@@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]2(O)[C@@H]1OC(C)=O 238753714 ILAYPXILRXPIAE-NWAYTCIPSA-N 432.469 2.254 0 1 IEAF O=S(=O)(c1ccc2nc(O)cc(-c3nc4cccc(O)c4[nH]3)c2c1)N1CCOCC1 586959425 KNRMVZHIHTWNJF-UHFFFAOYSA-N 426.454 2.210 0 1 IEAF CC(=O)N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 586985129 KLNCATDGRSAEPA-OAHLLOKOSA-N 437.319 2.393 0 1 IEAF CCOC(=O)[C@@H]1N(C)S(=O)(=O)c2ccccc2[C@]12CC(=O)c1cc(C)cc(N)c1O2 587412430 YOPBJKFEJKMYOH-PZJWPPBQSA-N 430.482 2.004 0 1 IEAF Cc1cc(C(=O)N[C@H]2CCC[C@@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)no1 2356471349 TUTZDDXEQSXZIA-QAPCUYQASA-N 448.470 2.325 0 1 IEAF O=C(NCCc1ccccc1)c1cc(S(=O)(=O)N2CCC3(CC2)OCCO3)ccc1F 3020604 RENUBBQBPPYIAH-UHFFFAOYSA-N 448.516 2.326 0 3 IEAF O=C(Cn1ccc(NC(=O)OCc2ccccc2)nc1=O)NCc1nc2ccccc2[nH]1 36389460 OEMCUKVIZSXEGQ-UHFFFAOYSA-N 432.440 2.185 0 3 IEAF COc1cc(OC)cc(N2C(=O)[C@H]3C[C@H](NC(=O)c4ccnc(Cl)c4)CCN3C2=O)c1 25179570 OYCJAAGUMJYSMT-CXAGYDPISA-N 444.875 2.482 0 1 IEAF biogenic C[C@H]1COc2c(N3CCN(C(=O)c4ccco4)CC3)c(F)cc3c(=O)c(C(=O)O)cn1c23 29128334 MPQYEOKPXPVCDR-LBPRGKRZSA-N 441.415 2.348 0 1 IEAF COC[C@@H]1C[C@H](N)CN1c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 29342220 RIOHOSXPCVPGOO-RYUDHWBXSA-N 448.401 2.054 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CCN(C(=O)C2CC2)CC1 95865650 JOIMCSKYDFADOE-FQEVSTJZSA-N 425.529 2.353 0 1 IEAF O=C(NCCO)c1c(O)c2ncc(Cc3ccc(F)cc3C(F)(F)F)cc2[nH]c1=O 150224754 YYIZDVGMIXDNCZ-UHFFFAOYSA-N 425.338 2.100 0 1 IEAF COc1c(I)cc(CCNC=O)cc1I 238737674 XMPWGDNSDUKROH-UHFFFAOYSA-N 431.011 2.193 0 1 IEAF CN1CCC[C@H]1COC(=O)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 299882821 QJQVUHFMXGEOLD-DOTOQJQBSA-N 427.457 2.312 0 1 IEAF COc1ccc(CN(C)C(=O)n2cnc(S(=O)(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)n2)c(OC)c1 473089854 MLIQWWVSWSDNPQ-PMUMKWKESA-N 434.518 2.358 0 1 IEAF COc1ccc(-n2c(N)c([C@@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)c(O)nc2=O)cc1 963605928 HLYRUCCYYPLJAI-FKIZINRSSA-N 438.484 2.170 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1c1cccc(OCc2nonc2C(N)=O)c1 27621423 NMRLUNDIWQWPJV-FABDANFUSA-N 442.428 2.169 0 1 IEAF CNCC1(c2ccc(N3CCc4c(C(N)=O)nn(-c5ccc(OC)cc5)c4C3=O)cc2)CC1 40394971 GXFDTYKWAIFLIR-UHFFFAOYSA-N 445.523 2.434 0 1 IEAF COc1ccccc1-n1c(-c2ccc3c(c2)OCO3)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45289539 ASFVGEBKDWWVGT-UHFFFAOYSA-N 431.408 2.070 0 1 IEAF COc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(=O)Nc1ccccc1C(N)=O 49112277 PEVQLKNTGXZZAC-CXUHLZMHSA-N 427.438 2.136 0 1 IEAF COc1cc(-c2cc(=O)c3c(O)c([C@@H]4C[C@H](O)[C@H](O)[C@@H](C)O4)c(O)cc3o2)ccc1O 59734148 ZRNTZPKUNIPEAL-ZFOCHLTASA-N 430.409 2.157 0 1 IEAF biogenic Cc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@H]2[C@@H]1O 2356289018 ODGROWIYDDQDOP-XSMZZKNVSA-N 428.504 2.216 0 1 IEAF CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4OC(=C5OC(=O)C(CO)=C5OC)[C@@H](C)[C@H]42)CN13 2356504856 HPWNQJWDZBXQIY-WESHWPFCSA-N 429.513 2.378 0 1 IEAF Cc1ccc(CNC[C@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 28952296 KNRXZXWLFHXTFX-LJQANCHMSA-N 437.462 2.319 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc1cncnc1)O2 95729365 CJRCUHMGBGRKJG-RXTVBCQOSA-N 425.533 2.257 0 1 IEAF CCc1nc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cc2)nc1NC1CCOCC1 113476219 JBOCWAXZRFUDTH-UHFFFAOYSA-N 439.564 2.224 0 1 IEAF COC(=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@@H](CC[C@@]2(COC(C)=O)OC(C)=O)C1(C)C 2356615189 YGOZDGLVNDTREI-DSJBRLSXSA-N 438.473 2.126 0 1 IEAF CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H](CC(C)C)C(=O)O1 13375765 QYCQLTKYMZKSTQ-ILRSOXBSSA-N 439.597 2.305 0 1 IEAF biogenic CC(C)CCC(=O)NC[C@H]1CN(c2ccc(N3CCS(=O)CC3)c(F)c2)C(=O)O1 27424346 AWYLIVLFIIZDMV-INIZCTEOSA-N 425.526 2.272 0 1 IEAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCNC3=O)cc2F)cn1 224769508 ZWSVSWSCKQRIAB-SFHVURJKSA-N 441.488 2.089 0 1 IEAF COC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 261115245 IQPBTPNVQOEWNE-LPHOPBHVSA-N 427.505 2.388 0 1 IEAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 299884017 SJJCWGMBVYWYPI-OFCAXSSNSA-N 432.565 2.180 0 1 IEAF Cc1cccc(CNC(=N)NC(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1N1CCCCC1 653849101 UAYNGSGIFLRVRR-FQEVSTJZSA-N 437.544 2.394 0 1 IEAF Cn1ccc(-c2ccc(Cc3cc(C(=O)N[C@@H]4CCOC[C@H]4O)nc4c3ccn4C)cc2)n1 1857650395 NEPARMOYJQSFNQ-FYYLOGMGSA-N 445.523 2.444 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95860173 MJOLMSVGHZLLLZ-IIYDPXPESA-N 431.455 2.407 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)[C@@H]2N1C(C)=O 95881762 NJGAJUNFGSSUAO-CQFJZHDHSA-N 427.545 2.088 0 1 IEAF CN1CCN(c2nc([C@H]3C(=O)NC(=O)[C@H]3c3c[nH]c4ccccc34)c3ccccc3n2)CC1 103045038 QYMDWEPIJODSDN-SFTDATJTSA-N 440.507 2.387 0 1 IEAF N#Cc1ccc(Oc2ccc(-c3nc(C(N)=O)cc(N4CCC[C@H]4C(N)=O)n3)cc2)cc1 142418197 ORRDNZBRZAHSDZ-IBGZPJMESA-N 428.452 2.361 0 1 IEAF OC[C@H]1O[C@H](Oc2ccc(-c3cccc(C(F)(F)F)c3)cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O 1772575076 MGHKIUIJJZSYBP-ZBRFXRBCSA-N 434.794 2.205 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4c3CCS4)CC1)CCC[C@@H]2O 1772615602 NFONCWBZHQCTIA-FQEVSTJZSA-N 426.586 2.392 0 1 IEAF CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O 1911581671 UIYBBMHSFJFMIB-BVSLBCMMSA-N 444.620 2.255 0 1 IEAF COC(=O)c1ccc(C[C@@H]2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)cc1 13603531 KVOGJECMOCBCJV-NRFANRHFSA-N 434.496 2.161 0 1 IEAF Cc1ccc(-c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)N3CC[C@H](N)C3)cc2F)o1 40936064 XLZQMGXYXVQRRI-KXBFYZLASA-N 435.521 2.497 0 1 IEAF O[C@@H]1[C@@H](COc2ccccc2F)O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O 49110220 MPPSKXRBNABBRV-QTQZEZTPSA-N 429.452 2.018 0 1 IEAF CCCCNC(=O)[C@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 82071121 ATXOGBXREMMTCR-SFHVURJKSA-N 432.546 2.492 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccccc2)[C@H](N)CC3)c1 88260989 NWPXTIFEDMNRLX-FCHUYYIVSA-N 440.569 2.377 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@H]1C 95679657 WOSANDNCOYBBEC-LRAJWGHMSA-N 431.533 2.388 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@@H]2C1 95795486 RBGWWDWZZPGPAM-XJUOHMSHSA-N 432.455 2.094 0 1 IEAF Cc1cc(=O)oc2cc(NC(=O)CN3CCN(c4cnnc(O)c4Cl)CC3)ccc12 1772648109 IXSUMZLGTYWUAR-UHFFFAOYSA-N 429.864 2.011 0 1 IEAF CC(C)(c1cc(-c2c[nH]c(=N)cc2C(F)(F)F)nc(N2CCOCC2)n1)S(C)(=O)=O 1857645648 ADBWZFPSFJYVPT-UHFFFAOYSA-N 445.467 2.086 0 1 IEAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1Cl 2356290002 GDYXKESEBYIJIA-AZUAARDMSA-N 443.906 2.038 0 1 IEAF COc1cccc2c1C[C@@]1(C2)C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 29410309 BIEACPWHNAUZTR-YZKDDNBGSA-N 433.504 2.149 0 1 IEAF CN(Cc1nc(-c2cn(CC3CCOCC3)c3c(Cl)cccc23)no1)[C@@H](CO)C(N)=O 66075803 YJXIZDCRAMKGID-KRWDZBQOSA-N 447.923 2.049 0 1 IEAF O=C(C[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 95677162 UBYVOLAQIVZNTP-IEZWGBDMSA-N 434.443 2.096 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95795644 YTXOATAQUYUYJS-XPNTWCBSSA-N 432.455 2.094 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H]3[C@H](CN3Cc3ccccc3C(=O)O)O2)cc1 95864496 FZJMPZVISKXUKQ-QMMLZNLJSA-N 430.526 2.404 0 1 IEAF O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1CC1CC1)N1CCCCC1 95880794 RJEWEAGBCQABFS-CJTFWIGWSA-N 448.567 2.296 0 1 IEAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCN(Cc3ccccn3)CC2)n1 168987586 HBKMIJCRIUTCJA-SDKVMHBISA-N 447.583 2.468 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 195476001 RPHPHNVVDAHDDN-ZMRSVYEUSA-N 429.561 2.053 0 1 IEAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)C[C@H](C)O3)cc1 206062948 CJZVNLFAKHHFLL-KKPZOLJASA-N 448.943 2.332 0 1 IEAF COc1cccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)c1 208176933 ZKPWKTAYUOZETR-UHFFFAOYSA-N 426.425 2.233 0 1 IEAF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2cccc(Br)c2N)c1OC 587936538 KMIHMUDKVHSRBN-UHFFFAOYSA-N 427.251 2.341 0 1 IEAF CN1c2ccc(-c3cncc(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O 653852796 DMIAAAUSYPPGHE-UHFFFAOYSA-N 430.505 2.274 0 1 IEAF CN(C)CCc1c(C(=O)NCc2ccccc2)[nH]c2ccc(CCN3C(=O)CNC3=O)cc12 3941148 XNYZVNPZYYCDAU-UHFFFAOYSA-N 447.539 2.296 0 1 IEAF CN1CC2=C(C1=O)[C@@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 13580027 WYSWJXLZAYOLSM-CQSZACIVSA-N 427.295 2.421 0 1 IEAF CC(C)C[C@H](NC(=O)CCCc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819110 FQPDLFQJGSURHC-MZLICYQSSA-N 426.513 2.444 0 1 IEAF NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)NC(=O)c1ccc(-c2cccc(O)c2)s1 58568464 AHQRGRKCMLSVLM-MRXNPFEDSA-N 425.466 2.362 0 1 IEAF CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCNCC3)cc12)C(=O)O 73224828 ZLJMGGBUDDVMDJ-FQEVSTJZSA-N 431.514 2.383 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@@H]2CCCCN2)sc1CCO 84758274 XKEULLFUOFIMBB-RDJZCZTQSA-N 438.500 2.203 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1 95865320 IWMIBHJXICLCJV-FQEVSTJZSA-N 441.553 2.406 0 1 IEAF CN1[C@@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)Nc1nccs1 95881292 NFSFXFBTRDGYDS-VVWQDTPRSA-N 440.500 2.343 0 1 IEAF CN(Cc1ccccc1Cl)c1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 145165676 FWQYWMIAOAIRFM-NVNXTCNLSA-N 438.879 2.169 0 1 IEAF O=C(CSc1ccncc1)N[C@@H]1C(=O)N2C(C(=O)O)=C(Cc3ccccc3)CS[C@H]12 169344254 STKHKDVDQFIHPS-YLJYHZDGSA-N 441.534 2.155 0 1 IEAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@]21N=C(N)N([C@H](C)CO)C1=O 213051609 VLXKYDUKBZSTNJ-PVCZTOMQSA-N 436.350 2.314 0 1 IEAF C[C@H](N)C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 223231749 GPDRDNWHAYFRDI-BBRMVZONSA-N 447.478 2.383 0 1 IEAF N=c1nc2c(ncn2[C@@H](NC(=O)OCCc2ccccn2)C(Cl)(Cl)Cl)c(N)[nH]1 1857573846 TWHYURFDFXPMCY-GFCCVEGCSA-N 445.698 2.054 0 1 IEAF Cc1cc(C)c(CNc2nc(-c3ccc(N4CCNCC4)nc3)[nH]c3ncnc2-3)c(O)n1 1857584319 SAPXNZUZLRYYNA-UHFFFAOYSA-N 431.504 2.106 0 1 IEAF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)C)C(=O)[C@H](C)CCC[C@](C)(O)[C@@H]2OC(=O)C(C)C 14816681 IDYIWKGLGJZZOR-QVQNHUGZSA-N 438.517 2.360 0 1 IEAF biogenic CCOC(=O)[C@@H]1CCC(=O)N1CC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1 28342338 WOLMQTMNCPQASG-NRFANRHFSA-N 445.560 2.109 0 1 IEAF in-vivo CCN(CC)Cc1ccn(-c2cc3c(cc2C(F)(F)F)[nH]c(=O)c(=O)n3CC(=O)O)c1 36338521 IFNJBSHPAUZGBB-UHFFFAOYSA-N 438.406 2.426 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Oc4ccccc4[C@H]3N(C)C2=O)CC1 40977284 ZZWVNTAISAHQHB-YADHBBJMSA-N 436.512 2.214 0 1 IEAF CCN1CCC[C@H]1COC(=O)C(O)(c1ccc2c(c1)OCO2)c1ccc2c(c1)OCO2 45188282 GBMGEZIIPBBCLA-KRWDZBQOSA-N 427.453 2.407 0 1 IEAF C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1C)c1ccccc1 95880221 UWBMZEWJBBTWPB-PJVFYWIPSA-N 444.535 2.381 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@H](CO)C3)c2c1=O 143435778 HKSFYAVQSYARIU-WMZOPIPTSA-N 435.528 2.405 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Nc4cc(Cl)ccc4F)nc23)N1 205020756 SFTSJPGIBPFOCM-ACAGNQJTSA-N 428.815 2.415 0 1 IEAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)O[C@@H](C)C3)cc1 206062122 PLGNDFXTGWARFM-KKPZOLJASA-N 448.943 2.332 0 1 IEAF CS(=O)(=O)N1CCC(NC(=O)N2CCC(c3nc4cc(F)cc(F)c4[nH]3)CC2)CC1 586955795 NAULRUKCTQGZOZ-UHFFFAOYSA-N 441.504 2.154 0 1 IEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 587769295 AHTNCOMGSOJWBB-BUXKBTBVSA-N 425.298 2.133 0 1 IEAF CCCCCCO[P@](=O)(O)[C@H]1C[C@@H](NC(=N)N)[C@H]([C@@H](NC(C)=O)C(CC)CC)[C@@H]1O 653866601 IFYZMKKGXBTXOU-MTHXSQLBSA-N 448.545 2.311 0 1 IEAF C[C@H](NC(=O)C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 15970775 CMAAKFIMDDCEPR-HRAATJIYSA-N 440.519 2.078 0 1 IEAF biogenic CC(C)N1CCN[C@@H](C(=O)N2CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)C1 84725738 OOGWCCRYNCAIBK-QGZVFWFLSA-N 428.364 2.352 0 1 IEAF CC/N=c1\c(NS(=O)(=O)c2c(C)nc3sccn3c2=O)c(O)oc2ccccc12 103532102 PFMXNRSWSQUYMC-UYRXBGFRSA-N 432.483 2.238 0 1 IEAF CCc1nc(C(N)=O)c(Nc2cccc(S(C)(=O)=O)c2)nc1N[C@H]1CC[C@@H](O)CC1 167314028 PWAFPCCSKIOXHE-MQMHXKEQSA-N 433.534 2.000 0 1 IEAF Cc1ccc([C@H]2[C@@H](C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCN(C)C)o1 169688105 KDVGUGOHNSSZFX-PMACEKPBSA-N 426.469 2.262 0 1 IEAF CC(=O)Nc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 299876711 GDSSYAJGOBSACS-LMMKCTJWSA-N 430.530 2.003 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@@H]3[C@@H](N=CN3C)N(C)C1=O)O2 587400457 PUUHASIWZAQYMB-JLMWRMLUSA-N 427.505 2.034 0 1 IEAF COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncccn4)nn3)ccc2O)c1 653726693 UXVZVFCQBXXPFK-UHFFFAOYSA-N 445.439 2.414 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@@H](C(=O)OCC)S1(=O)=O 653779530 NMGNOOFYGRPFQH-MUGJNUQGSA-N 431.510 2.350 0 1 IEAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](C3)[C@]2(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356348866 IUIGVEPUMGGBCD-HYRNMVQLSA-N 446.540 2.342 0 1 IEAF COc1ccc(CCNC(=O)C2=Cc3c(nc4ccccn4c3=O)N(C(C)C)[C]2N)cc1 2356812863 QJDHZCGVZWQXRV-UHFFFAOYSA-N 432.504 2.122 0 1 IEAF COC(=O)[C@H](CC(C)C)N(Cc1ccccc1)S(=O)(=O)N[C@H](CC(C)C)C(=O)OC 36382891 WDFQRUGPPWZGSQ-MOPGFXCFSA-N 442.578 2.498 0 3 IEAF COC(=O)[C@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(N)ncnc21)Oc1ccccc1 26279100 XZMWWDJOKLNHNR-LJHJSBQFSA-N 446.404 2.320 0 1 IEAF O=C(O)CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]21 28525247 ILZUPWALMALDJM-STHNKMCASA-N 425.529 2.455 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@H]3C(=O)N3CCCNCC3)cs2)c1 82085335 OUVJLZWEOIPWLO-IBGZPJMESA-N 444.557 2.254 0 1 IEAF COc1cc(-c2nc(N3CCOCC3)ncc2C(=O)N2CCCC2)cc(OC)c1OC 82143884 KJSKDNUJHMVKNI-UHFFFAOYSA-N 428.489 2.242 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]2N1Cc1ccccc1 95880171 AZMINGBCLGHKON-ZQRMPTRQSA-N 444.535 2.210 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccccn2)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO 95880539 LHOWAINAKPLULO-ANCRLERBSA-N 448.567 2.453 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)C1CCCC1 100138880 PFBACNMROORGKQ-JCRZIJDDSA-N 427.545 2.088 0 1 IEAF COc1ccc(C(=O)N2CC[C@H]3CN(c4cc(N(C)C)ccn4)[C@H]3C2)c(-n2nccn2)c1 116826498 QTRSJWYRFYJLCQ-KKSFZXQISA-N 433.516 2.088 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](c4nc[nH]n4)C(C)C)c(=O)n(C)c3nc12 621476154 VMSWEBZNSFKWCE-QGZVFWFLSA-N 446.515 2.373 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCC[C@@H]3COC)[C@H](O)[C@H]2[C@H]1C 2356308883 HFGCQFMPWRGLET-DVVMXTIISA-N 438.609 2.214 0 1 IEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4[C@@H](C[C@@H](O2)[C@@H]4[C@@H]2C[C@H](C)C(=O)O2)[C@H]3[C@H]1C 2356420396 YPHURJCNLMUQQJ-DRIGAPMBSA-N 431.485 2.241 0 1 IEAF COc1ccccc1N1CCN(CCn2nc(-n3cnc4ccccc43)ccc2=O)CC1 13475430 LDNGDGFQRINJBV-UHFFFAOYSA-N 430.512 2.413 0 1 IEAF CCNC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN(CCN2CCOCC2)c2ccccc2)C1 20463578 ZQSMHLBSMRJLSK-SFTDATJTSA-N 446.592 2.358 0 1 IEAF biogenic N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3ccccn3)CC2)c1F 28956123 LIYGVYZZXXGPIG-UHFFFAOYSA-N 434.903 2.091 0 1 IEAF O=C1CSC(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(=O)(=O)C3CC3)cc2)=N1 49803558 YSVSJBWRQQHQBO-QGZVFWFLSA-N 436.555 2.269 0 1 IEAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@H](NC(C)=O)C1 82197721 XFAZEUCOKRLPHX-FINDGFTCSA-N 441.572 2.309 0 1 IEAF Nc1nc2c(cnn2CCN2CCN(c3ccc(F)cc3)CC2)c2nc(-c3ccco3)nn12 84651653 JZQKRTMACNZFTG-UHFFFAOYSA-N 447.478 2.278 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(S(=O)(=O)c2cccs2)C1 95867788 HMRHVJMZJNBTAN-KRWDZBQOSA-N 447.582 2.170 0 1 IEAF O=P(O)(O)C(Nc1ncnc2sc(-c3ccc4[nH]ncc4c3)cc12)P(=O)(O)O 103275398 FMOBWGFXQWUZDS-UHFFFAOYSA-N 441.302 2.286 0 1 IEAF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(F)cnc2[nH]1 586938088 UQLWTKNKRUNAOF-CYBMUJFWSA-N 446.913 2.205 0 1 IEAF COc1cc2nc(N3CCN(C)CC3)[nH]c(=NC3CCN(C(C)C)CC3)c2cc1OC 1857654812 STWMZHHKHUOUQD-UHFFFAOYSA-N 428.581 2.105 0 1 IEAF Cc1cccc(OC[C@@H]2C[C@H](NC(=O)Nc3cccc(-c4noc(C)n4)c3)[C@H](O)[C@@H]2O)n1 2356289883 CPAULDDPMOINFY-UUXHPUJUSA-N 439.472 2.059 0 1 IEAF COc1ccc(N2C(=O)CC(=O)N(NC(=O)[C@H](C)Oc3ccccc3C)C2=S)cc1 1863333 YPGWWWYPDQBJQY-AWEZNQCLSA-N 427.482 2.353 0 1 IEAF Nn1c(CCCCN2CCN(c3ccc4ccc(O)cc4n3)CC2)nc2c(c1=O)CCCC2 64447843 UGLUCZYCHYWOCD-UHFFFAOYSA-N 448.571 2.235 0 1 IEAF O=C(O)/C=C/c1ccc(NCc2cccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)c2)cc1 72109757 WGSVUUSKLCPKTP-WGLAMXGCSA-N 426.425 2.444 0 1 IEAF CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C 82235971 JJFTVTHYPWEIGH-DYESRHJHSA-N 444.576 2.031 0 1 IEAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@H](O)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C 101417656 PFZMZPXWQVAMES-ATLSCFEFSA-N 446.529 2.118 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 253693664 KHOAMOKCCGVUEC-NQSUBMFWSA-N 443.979 2.309 0 1 IEAF C[C@]12CC[C@](O)([C@H](O)CO)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 299847186 WBKRWWJQTKCVDR-RPDBUJATSA-N 434.573 2.328 0 1 IEAF Cc1noc(-c2nc(C)c3c(c2N)C(=O)N(Cc2ccc(N4CCCC4=O)cc2)C3=O)n1 653749322 DEIIQBYKQFISCQ-UHFFFAOYSA-N 432.440 2.254 0 1 IEAF Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)/C=C2\NC(=O)c3ncccc32)cc1 1857596608 KDLGOVGZNYXHEV-ODLFYWEKSA-N 431.427 2.456 0 1 IEAF O=C(N[C@H]1CN(Cc2ccccn2)CCC[C@H]1O)c1ccc(OCCN2CCCC2)cc1 2356836816 LECMEVZVPGZITN-BJKOFHAPSA-N 438.572 2.312 0 1 IEAF COc1cc(=O)n2c(c1C(=O)NCc1cccc(F)c1)CCN(Cc1ccncc1)CC2 19744145 KEUBKGHUHVOTIU-UHFFFAOYSA-N 436.487 2.379 0 1 IEAF O=C(NCCCc1nc2nc(N3CCC(O)CC3)ccc2[nH]c1=O)OCc1ccccc1 82231617 HULONOZJXWRHKF-UHFFFAOYSA-N 437.500 2.138 0 1 IEAF Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)cc1F 84756718 ZSZHSTIYJZSNGF-AEFFLSMTSA-N 434.537 2.372 0 1 IEAF COC(=O)[C@@H]1C[C@@]23C=CCN2CC[C@@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@@]12CC3 85995706 YLBUDFTWGUSIKB-NSXWQBIQSA-N 440.496 2.410 0 1 IEAF biogenic Cc1cccc(-c2ccc([C@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@H]34)cc2)c1 95663429 FAEZEZMAIFLOTA-CQOQZXRMSA-N 428.492 2.263 0 1 IEAF O=S1(=O)NCc2ccc(Nc3nccc(N(CCO)c4cccc5[nH]ncc45)n3)cc21 139756333 FJNNGDRUSXSMAJ-UHFFFAOYSA-N 437.485 2.019 0 1 IEAF in-vitro N[C@H](Cc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)c1ccccc1Cl 587057707 DBFOALQDBGXFHQ-GOSISDBHSA-N 427.936 2.209 0 1 IEAF CO[C@H](C(=O)O[C@H](C)Cn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(C(C)(C)C)cc1 1857650674 WPDBDDCRJORJAI-KDOFPFPSSA-N 442.516 2.051 0 1 IEAF CC(C)(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCCC3)cc21 4710436 OPRPTFLSUHTEIX-UHFFFAOYSA-N 425.576 2.215 0 1 IEAF CO[C@@H]1C=C(CO)[C@@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@H]2OC(=O)CC(C)C 14637923 LERLQQKAXDNEKW-JCXROGDPSA-N 426.506 2.354 0 1 IEAF biogenic,in-vitro CC(C)(C)c1ocnc1/C=c1\[nH]c(=O)/c(=C/c2cccc(C(=O)c3ccccc3)c2)[nH]c1=O 34872908 MIPMUZJVEZFSLM-NMGXZBPKSA-N 441.487 2.237 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95687675 OHCKKWTUURNYIO-CKJXQJPGSA-N 441.532 2.165 0 1 IEAF CCCCS(=O)(=O)NC(=O)[C@@H](NC(=O)c1cccc(Cn2ccnc2)c1)[C@@H](C)CC 103230372 FZKCLFAJXIBCHW-LPHOPBHVSA-N 434.562 2.322 0 1 IEAF Cc1cnc(Nc2cc(NC3CCN(c4ccc(C#N)cn4)CC3)c(C(N)=O)cn2)cn1 118682251 JNWKLLRVJRSGRR-UHFFFAOYSA-N 429.488 2.370 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1)N1CC[C@H](O)C1 221410046 MOPWZPYQPWCPPI-CVEARBPZSA-N 433.516 2.102 0 1 IEAF COC(=O)c1cc([C@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587808240 NVRTXNDBEFJTLO-HOGDKLEQSA-N 440.265 2.169 0 1 IEAF CCNC[C@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@H](O)[C@H](C)N2)CC1)CC(=O)O 2356292649 ISDQYHQHQRYBLE-NKYHGYMJSA-N 442.641 2.278 0 1 IEAF Cc1cc(C(=O)N[C@H]2CCN3C(=O)c4cc(-c5ccccc5F)ccc4NC(=O)[C@H]23)nn1C 3839515 UNEWVXIEUSDPME-FPOVZHCZSA-N 447.470 2.500 0 1 IEAF biogenic CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4c(C)noc4C)CO[C@@H]23)cc1 25424032 RQMIUQNIJILPMB-ISARSNTHSA-N 429.429 2.007 0 1 IEAF biogenic Cc1cccc2c1O[P@](=O)(OC[C@H]1C[C@H](O)[C@H](n3cnc4c(N)ncnc43)O1)OC2 40461439 ANQWWUWQNXMQBV-DZUGXIEZSA-N 433.361 2.099 0 1 IEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)[C@H](O)N[C@@H](C)C(=O)O 40519765 CGITWACPUYXSBM-UAGQMJEPSA-N 430.438 2.184 0 1 IEAF CC(=O)Nc1c2n(c(=O)n(CCc3scnc3C)c1=O)C[C@H](Cc1ccccc1)N2 82205384 IPETVLYOTXHNBG-INIZCTEOSA-N 425.514 2.013 0 1 IEAF CC(=O)OCCn1cc(C(=O)Nc2ccc(-c3cn(Cc4ccccc4)nn3)cc2)nn1 95594407 FPZNXUDYLYWPQK-UHFFFAOYSA-N 431.456 2.400 0 1 IEAF CCN1[C@H](C(=O)NCC(F)(F)F)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 95879564 GPDWEHAZHARBMC-DKKFBQAASA-N 435.446 2.177 0 1 IEAF CN(C)C(=O)CNc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(C2CCCC2)n1 101585103 LXCOLPFHGLYORA-NNPMYXDGSA-N 441.576 2.304 0 1 IEAF O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cccc(N2CCN(Cc3cccnc3)CC2)n1 139784670 ZDZCNLLSPCUHPC-YFUYJLJOSA-N 447.583 2.468 0 1 IEAF O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 194943787 VUPXZFYWVQJPTN-XYNCURNNSA-N 441.963 2.085 0 1 IEAF COC(=O)c1cc([C@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808651 OYKBRMIWVZJUOF-HOGDKLEQSA-N 440.265 2.169 0 1 IEAF COc1ccc2c(c1NC(=O)[C@@H](N)CO)CCC=C2c1cc(OC)c(OC)c(OC)c1 653693468 XNGFWYFUKZSSQV-KRWDZBQOSA-N 428.485 2.357 0 1 IEAF COc1cc(C(=O)[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272079 SBFWGSQTPPNJCO-UGSOOPFHSA-N 430.409 2.361 0 1 IEAF biogenic COc1cc(NCCCCCCN2CCN(C[C@@H](O)CO)CC2)c2nccc(C)c2c1 29561649 RCWWOIHWGAYRIX-HXUWFJFHSA-N 430.593 2.495 0 1 IEAF Cc1nn(CC(=O)c2ccc(Cl)cc2)c(=O)n1N1CCN(c2ccc(O)cc2)CC1 72190056 VZSLWTZQSOCFIA-UHFFFAOYSA-N 427.892 2.053 0 1 IEAF in-vivo CC(=O)N1CCN(c2nc(NCCc3ccc(C)cc3)c3c(n2)C(=O)N(C(C)C)C3)CC1 84605329 XCTLDOSCQAKLHY-UHFFFAOYSA-N 436.560 2.472 0 1 IEAF Cn1cc(C2=C(c3nc(N4CCNCC4)nc4ccccc34)C(=O)NC2=O)c2ccccc21 95578331 URLJNGHIJZMXTK-UHFFFAOYSA-N 438.491 2.098 0 1 IEAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2S(C)(=O)=O 95794088 FPWPEMULKRPRSL-IFMALSPDSA-N 428.554 2.373 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1cccnc1 95879184 LPBWJWPXSLOALJ-AZOUXBGGSA-N 448.567 2.453 0 1 IEAF CC(C)(C(=O)NC1[C@H]2CC3C[C@H]1CC(CC(N)=O)(C3)C2)c1ccc(N2CCOCC2)nc1 100065676 BMMNJMWULKMUEW-KXLXBLRFSA-N 440.588 2.382 0 1 IEAF COc1cccc(CO[C@@H]2C[C@@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 104645815 ZXMVZCSEDGEKHM-QUCCMNQESA-N 444.557 2.154 0 1 IEAF CC(F)(F)c1cnc(C(=O)Nc2ccc(F)c([C@@]3(C)N=C(N)OCC3(F)F)n2)c(N)n1 205888905 GEYFZFDMDJIWCM-OAHLLOKOSA-N 445.352 2.152 0 1 IEAF CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=C[C@@H]2C(C)=NN[C@H]12 261137312 MIYUGXOUAPBAGJ-RTBURBONSA-N 436.560 2.135 0 1 IEAF COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c(OC)c1 299878729 JPRJAGITDSKZAT-JOQOYGCGSA-N 433.530 2.062 0 1 IEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)NCCC(=O)O)cc1)[C@@H](C2)C3=O 587448442 JDHSUYBUNWSEPZ-HRAATJIYSA-N 431.466 2.111 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587842147 DEHUNFIOUJGMHT-YOIRWDDOSA-N 434.327 2.316 0 1 IEAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356848261 MEAXSPATZUXIEJ-NJYVYQBISA-N 449.641 2.087 0 1 IEAF OC[C@H]1C[C@@H](n2cnc3c(SCc4cccc(C(F)(F)F)c4)ncnc32)[C@H](O)[C@@H]1O 49069386 OSHXGBUBMCNNRD-CUBALJKWSA-N 440.447 2.413 0 1 IEAF COc1cc2nc(N3CCC[C@@H](CO)C3)nc(NCCCN3CCCC3=O)c2cc1OC 82131364 PODPIKXVQPYSIJ-MRXNPFEDSA-N 443.548 2.280 0 1 IEAF CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O 82166632 WQBVYVQUXMRWIK-OAQYLSRUSA-N 444.576 2.177 0 1 IEAF Cc1cccc2cc(Cn3nc(I)c4c(N)ncnc43)n(C)c(=O)c12 88345647 LWGQEHBFBVUCMI-UHFFFAOYSA-N 446.252 2.222 0 1 IEAF CCCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO 95865139 BSZWGDGJKKQCNA-GOSISDBHSA-N 449.573 2.145 0 1 IEAF CCN1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccn1)[C@@H]2CO 95879158 HOFHNSRAWGMSET-LGKPFJOYSA-N 434.540 2.111 0 1 IEAF O=C(NCCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO 95879612 QYCZYXOSVUYPPI-NEUULRRLSA-N 447.510 2.265 0 1 IEAF O=C(O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1 95901970 BOKKRFULVUTARF-WGYMDGOUSA-N 437.445 2.096 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@H]31 169303349 UYKWDOHZJVLLMU-NDJIEACQSA-N 441.963 2.085 0 1 IEAF C[C@]1(c2cc(Br)ccc2F)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963205110 NFVAQPGSJVJUCR-DOXZYTNZSA-N 433.281 2.333 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@@H]2C[C@@H](C(=O)O)N(CCc3ccccc3)C2)nn1 1772625292 HIULRIYRAKJRNA-MIYJXHNBSA-N 446.511 2.455 0 1 IEAF Cc1cc(CNC(=O)[C@H]2CCC[C@@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)no1 2356444375 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C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccncc3)cnc2O[C@@H]1CN(C)C(=O)C1CC1 95702091 UWLQZULUNAYBPK-WHSLLNHNSA-N 438.528 2.232 0 1 IEAF O=C(CN1CCOCC1)N1CCCCN2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95874705 YYRMYXBGXGANGU-OHSXHVKISA-N 449.595 2.437 0 1 IEAF CCOCCNc1nc(Nc2cccc(Cl)c2)nc2c(/C=C3\NC(=O)NC3=O)cnn12 205041907 DLJCBTHMMVXPHE-ZSOIEALJSA-N 442.867 2.150 0 1 IEAF C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2c(F)ccc(F)c2c(=O)n1-c1cccnc1 220850911 ILFNRQIMQHLZDH-VIFPVBQESA-N 435.398 2.058 0 1 IEAF CC1(C)[C@H]2CC[C@]1(C)C[C@@H]2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(=O)O 473114717 PFLUEQHIMCTTNI-YGBCKFAYSA-N 436.597 2.368 0 1 IEAF COC(=O)c1c[nH]c(=N[C@@H]2C[C@H]3CC[C@H]2N3C(=O)c2cccc(F)c2-c2ncccn2)cn1 473179627 ZIZGVCWGNPUWSN-MZMPZRCHSA-N 448.458 2.139 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3c(Cl)ncnc3[nH]2)C(C)C)cc1 586933873 ZCHKFJAORAFIKB-AWEZNQCLSA-N 436.925 2.318 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@H](C)O)cc1 586938701 QRSBQGAGKJJNOH-LKFCYVNXSA-N 441.307 2.129 0 1 IEAF COC(=O)c1cc(Cl)c2[nH]c(-c3nc(O)nc(O)c3I)nc2c1 587183157 WCJXSOCSMRGNCV-UHFFFAOYSA-N 446.588 2.476 0 1 IEAF COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2cc(C)cc(N)c2O1 587395678 FJWFFSWPQSIDHH-QFIPXVFZSA-N 428.441 2.302 0 1 IEAF CN1C(=O)C[C@@H]2CN[C@](C)(c3cn(-c4cccnc4Cl)c(=O)nc3O)c3cccc1c32 963037893 YOJOQXHICUAYQS-IPQOISQHSA-N 437.887 2.303 0 1 IEAF Cc1c(C(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)cnn1-c1nc(O)c2c(n1)CCC2 1857578532 WYPLLTFXVFUKFT-IBGZPJMESA-N 439.438 2.331 0 1 IEAF C[C@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@@H]1CN(C)Cc1ccncc1 61947835 OVBQAIOLOOTXQW-NJNPRVFISA-N 426.561 2.500 0 3 IEAF Cc1nc2cc(OC[C@H](O)CN3CCN(CC(=O)NC4CCCCC4)CC3)ccc2s1 22932363 LECQEFOFEIRODW-LJQANCHMSA-N 446.617 2.411 0 1 IEAF CN1CCC(N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NS(=O)(=O)c3cccs3)c2=O)CC1 25224952 BQRZQXOVPAFPDN-CVEARBPZSA-N 448.614 2.224 0 1 IEAF biogenic COc1cc(OC)cc(-c2nc(C(=O)NCC(=O)NCc3ccccc3N)cs2)c1 82084781 HLWZHQIDZWHNFD-UHFFFAOYSA-N 426.498 2.456 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@@H]31 195180588 OLRJWQJNJDEKHM-FMZZOXHWSA-N 443.979 2.309 0 1 IEAF O=C1C[C@@](O)(C(F)(F)F)C2=C(C3CCN(c4cccc(C(F)(F)F)n4)CC3)NNC2=N1 210614316 NHMPVULIXNNRTC-INIZCTEOSA-N 449.355 2.301 0 1 IEAF COc1cc(C)cc2cc(-c3c(CN)c(CN4CCNCC4)n4ncnc(N)c34)sc12 220095592 DUZJRGKUZTUIRX-UHFFFAOYSA-N 437.573 2.374 0 1 IEAF CC(C)C[C@H](O[P@](=O)(O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 253691951 HXDXVKHKXNKZKA-LZWOXQAQSA-N 444.421 2.465 0 1 IEAF CCOC(=O)Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2c1 586936663 QGLJKABACHPPFI-RNODOKPDSA-N 447.513 2.078 0 1 IEAF CN1C(=O)COc2ccc([C@]3(CCC(=O)O)NC[C@H]4CC(=O)N(C)c5cccc3c54)cc21 963016776 CCJSQYPZFOCHIK-SHACYNPGSA-N 435.480 2.204 0 1 IEAF O=C([C@@H]1O[C@@H]2O[C@H]1C(=S)N(Cc1ccccc1)[C@H]2Cc1ccccc1)N1CCOCC1 1772582475 OOBWNCZQTKMZJC-FBHSLPMESA-N 438.549 2.410 0 1 IEAF O=C(NCc1ccccn1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCCC1 95880787 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PRLMHFQKFOLITQ-IBGZPJMESA-N 426.416 2.143 0 3 IEAF Nc1nc(N2CCN3C[C@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 13585805 UCYOUFWURNXRNU-SJORKVTESA-N 446.515 2.341 0 1 IEAF COc1cc(OCC(=O)Nc2ccccc2)ccc1-c1cc2c([nH]1)c(=O)n(C)c(=O)n2C 13678798 QDVXPLSCDFEVDT-UHFFFAOYSA-N 434.452 2.258 0 1 IEAF NC(=O)c1cc2c(Oc3ccc(C(=O)NCCN4CCOCC4)cc3)cncc2s1 13864438 QUIFQBCVAANHQK-UHFFFAOYSA-N 426.498 2.250 0 1 IEAF CN1C(=O)C[C@](CC(=O)N2CCN(c3ccccc3F)CC2)(c2cccc(F)c2)C1=O 14882657 IVMQGGGWZOOKSX-QHCPKHFHSA-N 427.451 2.330 0 1 IEAF CC(=O)O[C@H]1C[C@]23C[C@H]4C[C@H](O[C@@]4(CO)[C@H]2O)[C@H]3[C@]2(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]12 85696739 LUHCQTRIEYKIPM-MBBRFJOFSA-N 436.545 2.213 0 1 IEAF biogenic,in-vitro CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@H](C)[C@@H](OC)CN(C)C2=O 95691120 WSQGAZSPVHYFJA-FTRWYGJKSA-N 449.548 2.014 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1C)c1ccccc1 95881812 XRCXBUPUCMDVHO-DTVKDGSMSA-N 444.535 2.381 0 1 IEAF Cc1c(Nc2ccc(I)cc2F)c2c(=O)n(C)cnc2n(C)c1=O 96167573 CHZAWGZUVVSSTI-UHFFFAOYSA-N 440.216 2.428 0 1 IEAF CC(C)[C@@H](NC(=O)Cn1ccc2c3cccc(C(N)=O)c3nc-2c1O)C(=O)C(F)(F)F 100729426 RZEMDBOIYOXJAX-CQSZACIVSA-N 436.390 2.218 0 1 IEAF CNS(=O)(=O)Nc1cccc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)n1 114929949 ZMROFNUQQNWVMM-UHFFFAOYSA-N 446.485 2.024 0 1 IEAF CC(C)[C@H]1CN(C2CNC2)C(=O)N1c1ccn2ncc(-c3ccc(-c4nc[nH]n4)cc3)c2n1 116185051 VVULMYGFYVRDEG-LJQANCHMSA-N 443.515 2.420 0 1 IEAF C[C@H]1C[C@]2(C)CC(=O)[C@@H]1[C@@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 137621579 JXBYZKQDZBIQDJ-PGEPPDQTSA-N 439.556 2.367 0 1 IEAF COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1[C@]21N=C(N)N(CCN(C)C)C1=O 142113323 MWQAENFCDQICNC-HFYIDVTOSA-N 434.584 2.493 0 1 IEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 261179744 VUPXZFYWVQJPTN-KPARWEMLSA-N 441.963 2.085 0 1 IEAF C[C@@H]1CN(c2nc3ccccc3nc2SCc2nc3c(O)nc(N)nc3[nH]2)C[C@@H](C)O1 586968729 CJLSWRKVKHMLOD-GHMZBOCLSA-N 438.517 2.490 0 1 IEAF 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Cn1nc(C(=O)N2CCC(N3CCCCC3)CC2)c2c1-c1ccccc1S(=O)(=O)C2 20488569 WPNKJUTVHFAQLD-UHFFFAOYSA-N 428.558 2.465 0 1 IEAF CCOC(=O)[C@@H]1C[C@H]1[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N 27413274 HMKMQVYWJCUWJS-ONUSSAAZSA-N 443.475 2.136 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNc3cc[n+](Cc4ccccc4)cc3)C[C@H]12 27524949 PSZVWSFIDWNARN-XFQXTVEOSA-O 440.545 2.075 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@H]1C 95687928 GVLIXQUDBLNXDD-CKNLXJGOSA-N 430.505 2.329 0 1 IEAF Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 95818512 XSAFYGBYABXFOO-MZKRTTBSSA-N 443.592 2.243 0 1 IEAF O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO 95905475 QZSZBTGLPLZCGV-CEXWTWQISA-N 429.521 2.160 0 1 IEAF CC1(C)SCN(C(=O)c2ccc(N3CC(F)(F)C3)c(OCC3CC3)n2)[C@@H]1C(N)=O 146469320 NRJYILVSOMGOMC-CQSZACIVSA-N 426.489 2.105 0 1 IEAF CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1nsc(=O)o1 169322339 KBZDLITUFSVNMI-JKSUJKDBSA-N 441.513 2.131 0 1 IEAF CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cnccc2[nH]1 586939067 ZDZPUJBKWJLYAP-AWEZNQCLSA-N 428.923 2.066 0 1 IEAF COC(=O)C(C(=O)OC)c1cc(OC)n(NCc2ccccc2Br)c1OC 587939417 CIASVLOLMYUIOT-UHFFFAOYSA-N 441.278 2.441 0 1 IEAF CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@@H]43)n2)s1 618013616 XBHHHWHSSJJQGX-WOSRLPQWSA-N 433.559 2.256 0 1 IEAF Cc1cccc(OC[C@@H]2C[C@H](NC(=O)Nc3cccc(-c4noc(C)n4)c3)[C@@H](O)[C@@H]2O)n1 2356289881 CPAULDDPMOINFY-SMMRIJLZSA-N 439.472 2.059 0 1 IEAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@@H]2[C@@H]1O 2356499237 YVPJFXRJOGVLRV-OHJHSBFESA-N 431.577 2.402 0 1 IEAF CC(=O)OC[C@H]1O[C@@H](Sc2ccc3ccccc3c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1O 28572571 ZXYSHHVDUWLIQB-CTWRKMMKSA-N 448.493 2.444 0 1 IEAF COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O 95692768 MDBZRSBKDCCZHT-HYFFOGBASA-N 447.576 2.488 0 1 IEAF Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COCCO3)nc2=O)on1 142916448 LJIYHSOKPSIAOS-SFHVURJKSA-N 425.441 2.136 0 1 IEAF CC(=O)O[C@@H]1[C@H]2[C@H](Cc3occc3[C@@]2(C)O)[C@]2(C)C(=O)CCC(C)(C)[C@@]2(O)[C@@H]1OC(C)=O 238755827 MESLDFVKOWKXTR-GFIYVQDZSA-N 448.512 2.279 0 1 IEAF COC(=O)[C@@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@@]21C 255277239 WNDARWMYMDGFRT-GFMSOUAVSA-N 436.545 2.405 0 1 IEAF C[C@@H]1CC[C@@H](Oc2nccc(C(C)(C)O)c2F)CN1C(=O)c1ccccc1-n1ncnn1 473089551 RTQRTDNTSYPMAJ-HUUCEWRRSA-N 440.479 2.496 0 1 IEAF COCCOc1cnc(Nc2cccc(Cn3nc(-c4cnn(C)c4)ccc3=O)c2)nc1 653692830 SIISJHSKRHFWPX-UHFFFAOYSA-N 433.472 2.251 0 1 IEAF Cc1cccc(C(=O)N2CCOC[C@H]2Cc2cc(-n3nccn3)ccc2F)c1-n1nccn1 1772580160 IKDFBCDOUXZRDH-LJQANCHMSA-N 447.474 2.379 0 1 IEAF O=C(c1cc([C@H]2CCCCN2S(=O)(=O)c2ccc(F)cc2F)on1)N1CCOCC1 61896616 BESAIVGFDUPALL-MRXNPFEDSA-N 441.456 2.341 0 3 IEAF COc1c(CO)c2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](NC(C)=O)CC2 4974825 XOAUTVKFAKCYKZ-KRWDZBQOSA-N 429.469 2.364 0 1 IEAF CCOC(=O)[C@H](COCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O 29341620 YAVUFYQECTUCKD-PMACEKPBSA-N 440.496 2.157 0 1 IEAF CC(C)S(=O)(=O)N[C@H]1CN(C)C[C@@H]1c1ccc(-c2cccc(S(C)(=O)=O)c2)cc1 35934182 VERZXIJVGYAQGS-RTWAWAEBSA-N 436.599 2.483 0 1 IEAF COCCOc1ccc(Cc2cc([C@@H]3O[C@H](OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 45255277 ISUUGWMDLMATOX-AANPDWTMSA-N 438.904 2.083 0 1 IEAF COc1cc2c(=O)c(-c3ccc(O)cc3)coc2cc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1OC 85931704 MKQKRADRKSIEPI-KPNRKJOVSA-N 444.436 2.035 0 1 IEAF biogenic C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)N(C)Cc3ccccc3)cc2)CC1 95572481 DOSNVOXIRRVELZ-UHFFFAOYSA-N 441.553 2.414 0 1 IEAF CCN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC(F)(F)F 95879563 GPDWEHAZHARBMC-ZAWLATJESA-N 435.446 2.177 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886250 AMOSMMFFMRAXPR-CADBVGFASA-N 439.940 2.398 0 1 IEAF O=C(C[C@@H]1C/C=C/CCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 108515978 GQMAKBNGZMRQOI-IFFZYLPBSA-N 442.556 2.377 0 1 IEAF CC1=C(c2ccc3nc(C[C@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)NNC(=O)C1 587207804 WKZKFORUCBGATK-SFHVURJKSA-N 449.467 2.241 0 1 IEAF CCNC[C@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@H](O)[C@H](C)N1)CNC)CC(=O)O 2356291801 AQOOPQXHROGANV-SALXWAHTSA-N 429.646 2.260 0 1 IEAF CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccs1 2356593510 MOPCRIUPXFIAMN-BJLQDIEVSA-N 434.631 2.306 0 1 IEAF CCOC(=O)N1CCC(NC(=O)Cn2ncn3c(cc4sc(CC)cc43)c2=O)CC1 4101971 RFTLUIAIAOOGTC-UHFFFAOYSA-N 431.518 2.010 0 3 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O 40423638 OIRIAMGQIQWDIM-YRCTWBNTSA-N 442.604 2.040 0 1 IEAF CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C 82165830 XQENOKHKGMFWFY-GHTZIAJQSA-N 444.576 2.175 0 1 IEAF CCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 95886393 ULRKEPHJJCGVCG-FJIDUMEYSA-N 445.343 2.269 0 1 IEAF OC[C@H]1C[C@@H](Nc2nc(NC3CCC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O 299869489 USYCAUJTGZXIPE-PTFKWJCZSA-N 427.530 2.232 0 1 IEAF CCCCNS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 586931500 VAUQILIQYNQQTO-UHFFFAOYSA-N 426.520 2.152 0 1 IEAF O=C(c1ccc2nc(C3(c4cccc(Cl)n4)CC3)[nH]c2c1)N1CCN(CCO)CC1 587084120 GSVAUCJIAIGDIL-UHFFFAOYSA-N 425.920 2.441 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)c(F)c2)C(=O)O1 1241533583 YFLLEXSXVBAZJQ-IBGZPJMESA-N 441.459 2.426 0 1 IEAF CN(C)C(=O)C(F)(F)[C@H](c1ccc(C(F)(F)F)cc1)C1C(=O)N(C)C(=O)N(C)C1=O 1654932 UJHMTYAZLDVNIW-GFCCVEGCSA-N 435.349 2.179 0 1 IEAF O=C(NCc1ccc2c(c1)OCO2)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1 4790228 UACBZKVEKCXVKZ-UHFFFAOYSA-N 435.461 2.458 0 1 IEAF COCCOc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(OC)cc3)CCC[C@H]2O)cc1 15672200 ONXVDEZDBZWARA-DHIUTWEWSA-N 428.529 2.476 0 1 IEAF biogenic COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)c3cnccn3)c2=O)cc1 25231951 GWSMPPGTOXYYJK-WBVHZDCISA-N 445.479 2.159 0 1 IEAF biogenic O=C(N[C@H]1CNC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 28826205 GSYSXJHCFFFCQE-JKSUJKDBSA-N 442.928 2.053 0 1 IEAF O=C(NC1CCCCC1)N1CCN2C(=O)[C@@H]3C[C@@H](SCc4ccco4)CN3C(=O)[C@H]2C1 36364802 NWBVUFRNKSZVCR-CEXWTWQISA-N 446.573 2.051 0 1 IEAF biogenic Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 95810357 XSAFYGBYABXFOO-ZRCGQRJVSA-N 443.592 2.243 0 1 IEAF O=C(NCCc1ccccc1)[C@@H]1N[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@H]1CO 95879486 DICKOTKFOVLBDH-CJTFWIGWSA-N 429.520 2.125 0 1 IEAF CCC(=O)N1[C@H](C(=O)NC2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 95881188 DGXSJQOYTQKRJZ-LBVMUVSTSA-N 439.556 2.375 0 1 IEAF N=c1nc(O)c2c(Cc3ccc(C(=O)Nc4ccccc4-c4nn[nH]n4)cc3)c[nH]c2[nH]1 1857547034 TWJOFWMWFHLQKW-UHFFFAOYSA-N 427.428 2.099 0 1 IEAF COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@@H](O)CO)CC2 1857744572 FTBRQQPRIQIFEI-OPAMFIHVSA-N 433.501 2.030 0 1 IEAF COc1ccc(C(=O)O[C@@H]2CC(=O)N3C[C@H]4C[C@@H](CN5C(=O)CCC[C@@H]45)[C@@H]3C2)cc1OC 2356781036 HMTSCJGXCKIPRW-BCYZHJNNSA-N 442.512 2.251 0 1 IEAF O=C(N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccncc1 40422164 XQWZTPWKACKUMJ-HJUABUFYSA-N 447.535 2.150 0 1 IEAF CCCCOC(=O)COC(=O)CNC(=O)c1csc(-c2cc(OC)cc(OC)c2)n1 82089334 UMOSOTDITVFHCW-UHFFFAOYSA-N 436.486 2.444 0 1 IEAF Cc1noc(C)c1NC(=O)NCC[C@@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 95677752 VZLRHERICGIZBB-RCCFBDPRSA-N 434.468 2.281 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1 210700116 HWEPGAHHAQYJAV-NRFANRHFSA-N 433.447 2.472 0 1 IEAF CCCS(=O)(=O)N1CCN([C@@]2(CNC(=O)c3c(F)cccc3F)C[C@@H]3C[C@@H]3C2)CC1 261141025 NBSHHMOAKVDMBL-VPTLXERWSA-N 441.544 2.221 0 1 IEAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4c(C(=O)OC)ccnc4[nH]3)c2)o1 586923498 NTXZYXKUDFLHCM-UHFFFAOYSA-N 427.442 2.331 0 1 IEAF CCOC(=O)C[C@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437581 JYBSFIFOBMWDRO-MZNJEOGPSA-N 435.432 2.431 0 1 IEAF Cn1c(Cl)c([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c2cc(C=O)ccc21 963219838 UPGRPFUWGIUMDH-BXWFABGCSA-N 437.887 2.215 0 1 IEAF COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@H](O)[C@H]2O)cc1OC 2356482837 UBVNIWSDLHAGET-RPLLJCPNSA-N 426.391 2.125 0 1 IEAF COc1ccccc1N1CCN(C(=O)[C@@H]2O[C@H](CCN3CCCCC3)CC[C@@H]2O)CC1 2356851001 QCWHWSYDTGSEFE-IEIRFRATSA-N 431.577 2.128 0 1 IEAF COc1ccc(CCNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@@]2(C)CC[C@@H](O)[C@@]3(C)CO)cc1OC 4236962 SQERSHJUKJUYMS-PHXAEJITSA-N 449.588 2.299 0 1 IEAF biogenic COC(=O)[C@@H](C)COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13730984 YZZFUHJSMKNVJW-XYYCKYIDSA-N 441.524 2.008 0 1 IEAF CCNC(=O)NS(=O)(=O)c1ccc(NC(=O)n2nc(C)c(Br)c2C)cc1 29403291 SQQIHCAPNVUQOI-UHFFFAOYSA-N 444.311 2.350 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4O[C@@H]3C2=O)CC1 40980080 MJAGDZMQLUKTIZ-YADHBBJMSA-N 436.512 2.261 0 1 IEAF C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 95881242 OLYMEMHCGHYHMA-WCSRJGBQSA-N 430.508 2.039 0 1 IEAF O=C(COc1ccccc1)N1CCNC[C@@H]1c1nc(-c2ccc(N3CCOCC3)cc2)no1 137189612 IXDSFLYDDSAPDN-OAQYLSRUSA-N 449.511 2.125 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2I)C[C@H]2CC[C@@H]1N2C 169319609 AWVUKTXSKOZAJP-KJEVXHAQSA-N 429.254 2.472 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)[C@@H]1CC[C@@H]2[C@H]2C[C@H]21 169367667 OLRJWQJNJDEKHM-NDJIEACQSA-N 443.979 2.309 0 1 IEAF CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@@H](O)[C@@]34C(=O)[C@@H](C)[C@H](C[C@@H](OC(C)=O)[C@@H]3[C@@]12C)[C@H]4O 504652902 LGRQSRYHHCUXCE-SSMJRXINSA-N 436.545 2.259 0 1 IEAF biogenic CCOc1ccc(C(=O)N2CSC[C@H]2c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1 587039002 DEIVWBXVFCLSBH-KRWDZBQOSA-N 432.527 2.497 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 61946102 JFBDPIUUNLHCPK-VIZSFHNOSA-N 443.592 2.243 0 3 IEAF COC[C@H](C)Nc1nccc(-c2c(-c3ccc(F)cc3)c(=O)n3n2CC2(C3)OCCO2)n1 28367169 ZZNLKHACVHHDIN-AWEZNQCLSA-N 441.463 2.116 0 1 IEAF CC[C@H]1Cn2c(c(NCc3ccc(NC(C)=O)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 82207486 IJEZDLYFPMOPLH-SFHVURJKSA-N 434.500 2.228 0 1 IEAF CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(CCO)CC2)c(=O)n4C)cn1 118545140 OORSHTRGMKKUHS-UHFFFAOYSA-N 447.543 2.040 0 1 IEAF Cc1c([C@@H](O)CN2CCC3(CCCN(C4=CC(=O)OC4)C3)CC2)ccc2c1COC2=O 206932055 WMHOEEFNQVFBRW-NRFANRHFSA-N 426.513 2.318 0 1 IEAF CC(=O)O[C@H]1C[C@](C)(O)[C@]23OC(C)(C)C=C[C@H](OC2=O)[C@]3(C)[C@H]1OC(=O)c1ccccc1 238738634 RSNFILCTTXAPIW-RZKVONSCSA-N 444.480 2.334 0 1 IEAF CC1(C)O[C@@H]2O[C@H]([C@H](O)CO)[C@H](OC(=O)CC(c3ccccc3)c3ccccc3)[C@@H]2O1 253771033 HHNWXOWLXJDALQ-HMWDHGCWSA-N 428.481 2.350 0 1 IEAF COC(=O)c1cc(Cl)c2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc2c1 586941354 JVGQVHOYZAUZBC-UHFFFAOYSA-N 437.861 2.253 0 1 IEAF O=C(COc1cccc(NC2CCOCC2)c1)NC[C@@H](O)CN1CCc2ccccc2C1 1772640305 OAMWDJZRBPSBOE-HSZRJFAPSA-N 439.556 2.192 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ncccn2)CC1)Nc1ccccc1 2356285976 FEFYAJMDOKWGIX-KCZVDYSFSA-N 435.576 2.131 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)cc1 61907780 ZYHKPNMEENYFSI-FQEVSTJZSA-N 438.452 2.012 0 3 IEAF Nc1ccccc1CNC(=O)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 789975 YIIVALYMGLWKGM-SIKLNZKXSA-N 431.496 2.175 0 1 IEAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547847 VEDFFGQWIFFECN-YHELAOLJSA-N 430.549 2.076 0 1 IEAF CCCn1c(=O)[nH]c2nc(-c3ccc(S(=O)(=O)Nc4ccccc4)cc3)[nH]c2c1=O 35827280 KCUXCRYAOFJTTI-UHFFFAOYSA-N 425.470 2.291 0 1 IEAF CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3nc(C(F)(F)F)c4c3CCNC4)cc2C1 66251298 RHWRGGFQQUDJNH-INIZCTEOSA-N 442.507 2.391 0 1 IEAF COc1ccc(N2C(=O)C(Cl)=C(N[C@@H]3C(=O)N(c4ccccc4)N(C)[C@@H]3C)C2=O)cc1 70459640 JKMUNNYZVFVPNO-ACJLOTCBSA-N 440.887 2.259 0 1 IEAF C=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1 84730473 IHBGOWJVCCERSM-UHFFFAOYSA-N 429.498 2.454 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)cc1 95675544 DVYXTDYPIFUIBC-ACRUOGEOSA-N 430.476 2.179 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95888024 OFOMNITYAMQOJA-XKGZKEIXSA-N 429.517 2.332 0 1 IEAF C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(N4CCNC(C)(C)C4)nn3)nc21 169706866 JCZGUPPWACSKRR-CQSZACIVSA-N 433.520 2.082 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cn2cc(-c3ccc(F)cn3)cn2)c1 210700163 QUYOMENBDKOHHU-OAQYLSRUSA-N 433.447 2.472 0 1 IEAF COCC(=O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587563015 LHYZMBYJQITRBT-UHFFFAOYSA-N 446.446 2.244 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@@H]2OC(=CCCCC(=O)OC(CO)CO)C[C@@H]21 2356340447 PAZIMHKUNWKSLH-JDNQWYDXSA-N 426.550 2.220 0 1 IEAF CC(C)(C)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)no1 2356773177 SKWCWDIHTOOMID-OALUTQOASA-N 426.585 2.437 0 1 IEAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 791422 VEDFFGQWIFFECN-ZSXPUABSSA-N 430.549 2.076 0 1 IEAF COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2CO)cc2c1OCO2 13461620 IOLQZNZXIUEYRV-UONOGXRCSA-N 430.409 2.075 0 1 IEAF biogenic NCCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1 13553592 WWIRSTJWBDUGLV-RTWAWAEBSA-N 428.964 2.018 0 1 IEAF CC[C@@H](NC(=O)c1ccc(C(=N)N)cc1F)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 13779887 LKTCUFLNSKQNFZ-QGZVFWFLSA-N 434.512 2.358 0 1 IEAF O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3)C[C@H]12 25208132 XMWGQICRJTXCNR-VQTJNVASSA-N 438.915 2.364 0 1 IEAF biogenic COCCNc1cc(C(=O)O)nc2c(-c3cc(F)ccc3O)nc(N3CCOCC3)nc12 169698806 ZZAJYWGFPNJXFZ-UHFFFAOYSA-N 443.435 2.130 0 1 IEAF C[C@H]1CN(c2c(NC(=O)c3nc(-c4c(F)cccc4F)sc3N)cnn2C)CCN1 169699285 QGTPASHVTHETNP-JTQLQIEISA-N 433.488 2.454 0 1 IEAF C[C@H](CNC(=O)c1cccnc1)OC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1 1772590098 NNMKHOCCDNRNAJ-XLIONFOSSA-N 445.541 2.128 0 1 IEAF OC[C@@H]1O[C@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3c2OCO3)[C@@H](O)[C@H](O)[C@H]1O 1772632371 IXVUHLXOXLTFKZ-JBINPLMMSA-N 448.899 2.052 0 1 IEAF CC(=C[C@H](C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@](O)(C(=O)O)[C@@H](C(=O)O)O2 2356543505 OGZGHCQBWIVONK-XDDYAGFQSA-N 448.468 2.221 0 1 IEAF CC[C@H](C)C(=O)OCC1=C2[C@H](C(CO)=C[C@H]2OC)[C@H](OC(=O)[C@H](C)CC)O[C@@H]1OC 2356782487 FJKBHFZRINVAKA-XEBBLRGNSA-N 426.506 2.354 0 1 IEAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3cccc(Cl)c3)CN12)NCc1ccccc1 2356813259 CEWWHRAKSTVPLI-BHDDXSALSA-N 440.975 2.468 0 1 IEAF O=C(CSc1nc(=O)c(Cc2ccccc2)c(O)n1-c1ccccc1)N1CCOCC1 100607079 MVPPXLHXPWFAPZ-UHFFFAOYSA-N 437.521 2.480 0 3 IEAF COC(=O)[C@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26279123 HGXRWQIKXWHVAU-LJHJSBQFSA-N 447.388 2.031 0 1 IEAF COc1ccc(/C=C/C(=O)N[C@@H](CCC(=O)O)C(=O)NCc2ccccc2)cc1OC 40951903 RYGCMELOLBEZLU-PEKVBPLLSA-N 426.469 2.383 0 1 IEAF Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C(C)(C)C)CC4)c(F)c3)C(=O)O2)nn1 43058902 ZMVTUPGLMGYDEA-KRWDZBQOSA-N 444.511 2.446 0 1 IEAF CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@H]3[C@H](OC(=O)N3N)c3cccc1c32 73352811 ZWYGWIYEIBJJQL-JIGPKXGUSA-N 449.504 2.166 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@H]1C 95857513 RIHRPLOFFJCHJI-PNCHPQGNSA-N 439.556 2.236 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@@H](CO)O1 95900136 ALBNIJOYEDEARG-FDGCKHTNSA-N 425.485 2.245 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC[C@H]4CCOC4)n3)cc2)CC1 115625238 OQOFYJNBWUPARM-QGZVFWFLSA-N 434.544 2.196 0 1 IEAF O=C1N/N=C/c2ccc(cc2)OCc2cccc(n2)COc2ccc(cc2)/C=N/NC1=O 136680826 OBCAQPLOYLYZET-DWGHPKEWSA-N 429.436 2.153 0 1 IEAF Cc1ccccc1N1C(=O)[C@H]2C[C@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C=C[C@H]2C1=O 254079315 SWDCMYLXRQXNGE-QRVBRYPASA-N 430.464 2.002 0 1 IEAF CC(C)(O)c1cccn2c(-c3ccnc(N[C@H]4CC[C@H](NS(C)(=O)=O)CC4)n3)cnc12 261107396 HPUGNNRLFGUJDY-SHTZXODSSA-N 444.561 2.291 0 1 IEAF CC(=O)N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1 586984492 GENRQMRWHSHMTF-CQSZACIVSA-N 437.319 2.393 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614109 QTZAPEQOEMSYHR-XXHMAFKTSA-N 432.450 2.090 0 1 IEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 587777077 ZASVFKLRJQYJAJ-BUXKBTBVSA-N 425.298 2.133 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4nnc(C)o4)c(=O)n(C)c3nc12 621431835 PYTOGZRREIEBOI-ZDUSSCGKSA-N 433.472 2.310 0 1 IEAF C[C@@]1(c2cc(N3CCCCC3)ccc2N)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963198760 AKNNFUGGCAEADJ-MZLICYQSSA-N 434.544 2.004 0 1 IEAF CC(=O)O[C@@H]1C[C@@]2(C)C=C[C@H](O)[C@@]3([C@H](O)CCC(C)(C)[C@@H]13)[C@@]2(O)CCC1=CC(=O)OC1 2356410486 MJWXYHMXFFQYJC-CIOWFMMFSA-N 434.529 2.037 0 1 IEAF CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](C(=O)C[C@@]4(C)C(C5=CC(=O)OC5)=CC[C@@]34O)[C@@]2(C)C[C@@H]1O 2356494930 XURSEJHINUAAFD-AXGBBPDXSA-N 444.524 2.245 0 1 IEAF Cc1cc2c(cc1C)-n1nnnc1[C@@H](N1CCN(C(=O)OCc3ccccc3)CC1)C(=O)N2 95569488 LOOXSOJDMLCDEA-HXUWFJFHSA-N 447.499 2.227 0 3 IEAF CNCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@@H]2C1 4222231 YWFAHMQOGKOKCD-LPHOPBHVSA-N 426.904 2.268 0 1 IEAF biogenic COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@H](C)C[C@@H]2N)C(=O)O)cc1 13442329 YUOMCSBLOMSMSI-NVEJGWONSA-N 442.512 2.378 0 1 IEAF CN1C(=O)[C@@](c2ccc(F)c(-c3cncnc3)c2)(c2cnn(CC(F)(F)F)c2)N=C1N 34803598 FCWFCMGXLUBIQD-LJQANCHMSA-N 433.369 2.072 0 1 IEAF CS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)cc1 73223859 NZVOLAQXQNXGBB-UHFFFAOYSA-N 442.603 2.330 0 1 IEAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(N)=O)ccc43)nc2N1c1ccn(C)n1 1857744769 VJEHJUWRIDMKNR-OAHLLOKOSA-N 430.472 2.146 0 1 IEAF CC1=CC=CC=C[C@H](C)CNC(=O)CC(=O)C[C@@H]2O[C@@H]3[C@H](O)C[C@H](O)[C@@H]4CC[C@@H]1[C@H]2[C@H]34 2356341867 ZFBJDLOVHJHLCL-GVDLMRKTSA-N 429.557 2.312 0 1 IEAF CCOC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1 4115516 VEEXTAKKUURUIA-MRXNPFEDSA-N 434.518 2.243 0 3 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 13606125 BRRFCLVJGYVEQO-LJISPDSOSA-N 429.254 2.472 0 1 IEAF NCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)NN1CCc2ccccc2C1 26171815 BLQZIVNHYRDWGF-QHCPKHFHSA-N 448.571 2.207 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@H]3Oc4ccccc4[C@@H]3N(C)C2=O)CC1 40977286 ZZWVNTAISAHQHB-VXKWHMMOSA-N 436.512 2.214 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@](C)(CO)OC3)cc1 71330191 GHEIKGPPFOPOIX-FPTDNZKUSA-N 427.505 2.248 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCc2cnnn2CCCC1=O 95818390 OPQMCYKWZYLZJV-XQBPLPMBSA-N 435.613 2.315 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95856161 MJOLMSVGHZLLLZ-DCGLDWPTSA-N 431.455 2.407 0 1 IEAF CC[C@@H](NC(=O)[C@@H]1C[C@@H](S(=O)(=O)c2ccccc2)CN1)C(=O)c1nc2ccccc2o1 96907131 CZCDHQRAGSWXBW-NUJGCVRESA-N 441.509 2.110 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169290338 UJISMJDOFFHTEW-QONVVCGCSA-N 431.496 2.397 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587844374 NNEXQOXEQOKBOC-ANTHHZPCSA-N 434.327 2.316 0 1 IEAF O=C1c2ccccc2C(=O)N1N1C(=O)c2cccc3c(N4CCOCC4)ccc(c23)C1=O 1500803 UMFVGIRPHPEBTA-UHFFFAOYSA-N 427.416 2.484 0 3 IEAF Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)Cc1cccc(Cl)c1 61895507 BRJUECPKRDCITJ-GOSISDBHSA-N 425.894 2.196 0 3 IEAF COC(=O)[C@H]1CN(Cc2ccc(F)cc2)CCS(=O)(=O)N1Cc1ccc(OC)cc1 96020349 CHAHGKCXGIMGEY-HXUWFJFHSA-N 436.505 2.024 0 3 IEAF COc1cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)O)c(=O)c3c2)cc(OC)c1OC 4732717 SVICESZGOVZAKX-UHFFFAOYSA-N 434.426 2.053 0 1 IEAF COC(=O)[C@@]1(Cc2ccc(O)c(C[C@@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 13380602 AOQVEWHCTJBXCU-GLDPYIMESA-N 440.448 2.182 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 13681366 DOMYQNDGOGEIPJ-UEXGIBASSA-N 435.480 2.171 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(SCCNC(=O)c3ccc4ccccc4c3)[C@H](C)[C@H]12 26493553 INNMLZNTPCRWQJ-XHSVMWQWSA-N 440.521 2.457 0 1 IEAF CCCc1ccc(CCC(=O)c2c(O)cc(O[C@H](C[C@H](O)CO)C(=O)O)cc2O)cc1O 27424470 OUKZJCOFMACUOO-YCRPNKLZSA-N 448.468 2.147 0 1 IEAF CS(=O)(=O)NCCOCCOCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2 28712043 WEJDINMBOMQSNH-UHFFFAOYSA-N 445.626 2.007 0 1 IEAF CCOc1ccccc1C[C@H]1CNC(=O)CN(S(=O)(=O)c2ccc(Cl)cc2)C1=O 28894296 NMNYNMIWBXYVLJ-HNNXBMFYSA-N 436.917 2.245 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc(I)c2)C[C@H]2CC[C@@H]1N2C 58577436 JVEGXDPSJZDCKL-QPSCCSFWSA-N 429.254 2.472 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 100061618 FKCKHHUOKPWTNI-OPYAIIAOSA-N 435.480 2.171 0 1 IEAF O=C(O)COc1ccc(Nc2ncc3nnn(C45C[C@H]6C[C@@H](CC(O)(C6)C4)C5)c3n2)cc1 101130074 IEBPZCOLCOJVHI-CFYSCFQDSA-N 436.472 2.469 0 1 IEAF Nc1ccc(-c2c(F)cccc2F)nc1C(=O)Nc1cnccc1N1CC[C@@H](O)[C@H](N)C1 103237634 KMIKZMJCDRKNJE-DNVCBOLYSA-N 440.454 2.155 0 1 IEAF O=C(N[C@H](Cc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)O)OCc1ccccc1 587205517 BKSWFQSDCABEOX-HXUWFJFHSA-N 438.484 2.317 0 1 IEAF Cn1c(=O)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O 587574797 CDBYSWOMFUSTIW-HOYKHHGWSA-N 447.447 2.158 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587760003 NNLLUAKCKQLVOH-MGNBDDOMSA-N 427.270 2.082 0 1 IEAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1 2356290705 ZTBZWZGUWHVWMR-VQTJNVASSA-N 443.906 2.038 0 1 IEAF O=C(COc1ccccc1)NCC1(COc2ccc(C(F)(F)F)cn2)C[C@@H](O)[C@H](O)C1 2356298640 QTMQAMMCOKIIEP-IAGOWNOFSA-N 440.418 2.176 0 1 IEAF Cc1nc(NC(=O)c2ccccc2)sc1-c1cc(C(=O)N2CCOCC2)nn1CCO 139981973 DJKHNPOFFOGQKE-UHFFFAOYSA-N 441.513 2.032 0 3 IEAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)[C@@H](O)[C@@H](O)C(C)(C)O4 13436884 KANDATZVPJBSEB-IMLKGASGSA-N 428.437 2.389 0 1 IEAF biogenic,in-vitro COc1cc(Nc2nc(N[C@H]3CCCC[C@@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 40412752 DVAXQAPODFQWRX-HOTGVXAUSA-N 425.493 2.271 0 1 IEAF CC(=O)O[C@@H]([C@H]1C[C@@H]1C(=O)[C@@H](C)OC(=O)/C=C/c1ccc(O)cc1)[C@H]1CC=CC(=O)O1 49035366 HEYOPWSFHOXZQH-SFVQXVMDSA-N 428.437 2.346 0 1 IEAF in-vitro Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@@H]2CCCNC2)sc1CCO 84757170 PYIYKMPZXKEIOX-CXAGYDPISA-N 436.965 2.435 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]2N1C(=O)CC1CC1 95880662 JJLFVJLDWGIJCT-QGSZYYSCSA-N 448.519 2.482 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCCc3c[nH]cn3)c2c1=O 115627827 GNGZZVKLCDBEHV-UHFFFAOYSA-N 431.500 2.210 0 1 IEAF CC(C)(C)N(CCNC[C@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2)Cc1ccccc1 169319493 QWJRBHDAYAKKSG-QTJGBDASSA-N 442.600 2.137 0 1 IEAF COC(=O)COc1ccc(/C=C2\C(=O)N(CC(=O)OC)C(=O)N2Cc2ccccc2)cc1 473148704 HEGSEOWGTIJABN-XDHOZWIPSA-N 438.436 2.217 0 1 IEAF O=C(c1ccc2nc(-c3csc([C@H]4CCCO4)n3)[nH]c2c1)N1CCN(CCO)CC1 587017786 ZHOGTWHMQGOJQU-GOSISDBHSA-N 427.530 2.288 0 1 IEAF COc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1OC 587180139 NILXPADMNFTSLJ-UHFFFAOYSA-N 428.186 2.283 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccccc4)CC3)ccc21 9677152 HVVSKUADLYNTJN-UHFFFAOYSA-N 441.553 2.108 0 3 IEAF CCCNC(=O)CN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358395 UHXBMLCSHRNMIX-FQEVSTJZSA-N 426.469 2.403 0 1 IEAF CC(C)Nc1nc2cc3cc(Cl)c(Cl)cc3nc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49090005 MQDATEGLBLQFRP-ANQUJSFKSA-N 427.288 2.323 0 1 IEAF CC(=O)N[C@@H]1CCN(C(=O)[C@@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 82211197 WTQXONXIXYSYEE-AABGKKOBSA-N 431.533 2.197 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O 95860810 NQYPTHXHXGOLGT-VWKPWSFCSA-N 426.517 2.116 0 1 IEAF CS(=O)(=O)CC(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636789 AXTYJEONKGTLSG-KDURUIRLSA-N 449.617 2.339 0 1 IEAF OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C\CCC3)[C@H](O)[C@@H](O)[C@@H]1O 169354246 WJSQWIJDSWCUKE-XKAVCTCYSA-N 426.509 2.064 0 1 IEAF O=C1N(CCCCN2CCN(c3ncccn3)CC2)C(=O)C23[C@@H]4C=C[C@H](C4)C12[C@@H]1C=C[C@@H]3C1 169360250 AGAOOOLNXNYSOT-RDDGXZLPSA-N 445.567 2.132 0 1 IEAF CNC(=O)Nc1ccc(-c2nc(CS(=O)(=O)C3CC3)cc(N3CCOC[C@@H]3C)n2)cc1 199631491 WIGLDOFZVMGZJM-AWEZNQCLSA-N 445.545 2.197 0 1 IEAF N=C(N)NCOc1ccc(CC[C@H](CC=C[C@H](O)c2ccc(O)cc2)S(=O)(=O)O)cc1 2356835487 KSGQAIBVAAPEPI-PMACEKPBSA-N 449.529 2.080 0 1 IEAF O=C(C[C@@H]1CCNC[C@H]1Cc1cc(CN2CCOCC2)on1)N1CCc2ccccc2C1 2356844903 NZNGRQWJSHPNBG-RBBKRZOGSA-N 438.572 2.250 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCCCC2)cc1 13782550 RNNMXTSTLVYYQG-HXUWFJFHSA-N 428.558 2.181 0 1 IEAF in-vivo CCCn1cnc2c(ncn2[C@@H]2O[C@H](COC)[C@H](O[P@](C)(=O)O)[C@@H]2OC)c1=S 29550762 QKBWPTWGIDAGPF-GVUJHPQVSA-N 432.439 2.131 0 1 IEAF COC(=O)Cn1c(=O)c(NCc2cccc(O)c2)c2n(c1=O)C[C@H](CC1CCCCC1)N2 82205039 KFIYJROZJBWVSX-KRWDZBQOSA-N 442.516 2.265 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2CC[C@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)cc1 95675543 DVYXTDYPIFUIBC-PCCBWWKXSA-N 430.476 2.179 0 1 IEAF COc1ccccc1NC(=O)CN(C)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 140394863 UIUYQLLSTOVXCC-NRFANRHFSA-N 431.443 2.023 0 1 IEAF Cc1csc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCN[C@@H]3c2ccc(Cl)o2)n1 209533100 CZEJXHBNGHIMJV-CYBMUJFWSA-N 431.905 2.410 0 1 IEAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c12 586890778 OXBSIPBSJDAGBH-KBPBESRZSA-N 427.310 2.452 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@H]3[C@@H](N=CN3C)N(C)C1=O)O2 587400460 PUUHASIWZAQYMB-LZNRXBQRSA-N 427.505 2.034 0 1 IEAF Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc12 11726470 OLSKURGWFPKYKZ-UHFFFAOYSA-N 427.526 2.368 0 3 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795900 QMVYBQNWUZQTJV-WMTXJRDZSA-N 438.499 2.417 0 3 IEAF NCCCCNC(=O)CN1CCCC[C@H](NC(=O)c2ccc(-c3ccccc3)cc2)C1=O 13588636 OHWMOKHJOBUTEB-QFIPXVFZSA-N 436.556 2.320 0 1 IEAF COc1ccccc1N1CCN(C[C@H](O)COc2ccc3c(c2)SCC(=O)N3)CC1 27524986 GNBNOEIICSAQHH-INIZCTEOSA-N 429.542 2.301 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC(=O)N([C@H](C)CO)C[C@H]1C 95859874 SFMSPGMXXHPKHG-LBTNJELSSA-N 445.482 2.336 0 1 IEAF CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 95881158 KCNTUYHUZYKDCE-VXSCBNMQSA-N 425.504 2.260 0 1 IEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@H]1C 100022796 GFPSJLDVWFPVCU-WTAXECHQSA-N 434.470 2.175 0 1 IEAF Cn1cc(S(=O)(=O)NCCOc2cccc([C@]3(Cc4ccccc4)CCNC3)c2)cn1 114261052 CFTHJDDWWCKSQB-QHCPKHFHSA-N 440.569 2.251 0 1 IEAF COC(=O)CCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C)n1 143103289 MILSWPHTOFFDJG-UHFFFAOYSA-N 446.515 2.270 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 169290895 VMZGYYIBHIORNR-SFGIZBKVSA-N 447.535 2.240 0 1 IEAF NC(=O)[C@@H]1CCCN1C(=O)CCCCCCN1CCN(c2noc3ccccc23)CC1 169310363 DXYWAQXCHZOYHC-IBGZPJMESA-N 427.549 2.377 0 1 IEAF CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1 199023170 JPELQPFYUQYAPX-UHFFFAOYSA-N 425.312 2.438 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N 253749783 HMKMQVYWJCUWJS-OJIVJNGMSA-N 443.475 2.136 0 1 IEAF CCOC(=O)Cc1ccc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@@H](C)O)[nH]c2c1 586936667 QGLJKABACHPPFI-ZUOKHONESA-N 447.513 2.078 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 587769293 AHTNCOMGSOJWBB-BLVKFPJESA-N 425.298 2.133 0 1 IEAF COC(=O)c1cc([C@@]2(C(O)O)N[C@H](C)Cc3ccc(F)c(Br)c32)ccc1O 587808649 OYKBRMIWVZJUOF-AYLIAGHASA-N 440.265 2.169 0 1 IEAF COc1cc([C@H]2c3cc4c(c(O)c3C(=O)[C@H]3CCC(=O)N23)OCO4)cc(OC)c1OC 1856975 BARMBVQBEBSKCX-XIKOKIGWSA-N 427.409 2.423 0 1 IEAF COCCNC(=O)[C@@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 8235485 GSETZVKGSMDGJJ-WZONZLPQSA-N 426.517 2.381 0 1 IEAF biogenic N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1 15956074 VLUBABAGEKOXMU-IFMALSPDSA-N 448.523 2.218 0 1 IEAF biogenic C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(C[n+]5cccc(N)c5)ccc4c3)C[C@H]12 26723112 XEIXYMIHLZTFNO-KHIBUBOWSA-O 430.484 2.165 0 1 IEAF COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@H]3C/C(=C\COCC(=O)O)C[C@@H]13)O2 29569488 SDDDJXPNYQPJCG-JWZWPPOLSA-N 446.496 2.187 0 1 IEAF CS(=O)(=O)c1ccc(-c2ccc3c(NC4CCOCC4)c(C(N)=O)nnc3c2)cc1 95588381 UKQCBSGYFZKNDZ-UHFFFAOYSA-N 426.498 2.390 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 95664022 YFORQDXSEWSXJG-NRFANRHFSA-N 441.572 2.453 0 1 IEAF CCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888445 GCTHDWJSWMFTNQ-VDZJLULYSA-N 432.521 2.123 0 1 IEAF O=C(Nc1ccccc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO 95905472 QZSZBTGLPLZCGV-GBESFXJTSA-N 429.521 2.160 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 100065969 HDLZHQFBHVJHLK-BBUVIBSYSA-N 438.494 2.278 0 1 IEAF CC(C)(O)CNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)ccc3CO)nc12 165096886 CCPZQDBNLBNUMF-GOSISDBHSA-N 427.480 2.203 0 1 IEAF COc1cc(Br)c([C@@H](N)c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1OC 586974127 BOFAULUGTSDHAW-OAHLLOKOSA-N 441.307 2.038 0 1 IEAF O=C(O)c1nn(Cc2nc3cncc(Br)c3[nH]2)cc1I 587185963 PRKSBVITCMPOEN-UHFFFAOYSA-N 448.018 2.268 0 1 IEAF CCOc1ccc(-c2nc(C(N)=O)c3nc(O)n(-c4ccc(C(=O)OC)cc4)c3n2)cc1 1772649482 QBRQAFZDFPJASV-UHFFFAOYSA-N 433.424 2.472 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@@H]2C1)[C@H]1CSCN1 2356311584 DTXBMQQVHMMDDB-OLMNPRSZSA-N 442.566 2.119 0 1 IEAF O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccc(Cl)cc1 2356718520 XUUZXHCGSVBPGE-JFIYKMOQSA-N 430.039 2.378 0 1 IEAF COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N4CCNCC4)nc32)cc1 4238407 NIEWTRQFBSMIBF-UHFFFAOYSA-N 442.523 2.379 0 1 IEAF O=C(COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1)N1CCCCC1 29470813 RDGHKQPIFPHMSP-FQEVSTJZSA-N 428.529 2.486 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@@H]2CCCCNC2=O)cs1 82070574 XKJNEPHPLFCFLH-DZGCQCFKSA-N 430.530 2.112 0 1 IEAF Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)[C@H]2CCCNC2)sc1CCO 84757174 PYIYKMPZXKEIOX-SUMWQHHRSA-N 436.965 2.435 0 1 IEAF Cc1cccc(-c2ccc([C@@H]3[C@H]4CN(C(=O)c5cnccn5)CC(=O)N4[C@H]3CO)cc2)c1 95661159 FAEZEZMAIFLOTA-AOHZBQACSA-N 428.492 2.263 0 1 IEAF CC[C@@H](CS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1cccc(OC2CC2)c1 96172685 HJTKFFQUSJWPCK-INIZCTEOSA-N 436.530 2.051 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 100679497 KHOAMOKCCGVUEC-UPGMHYFXSA-N 443.979 2.309 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2[nH]cccc-2n1 101157270 DBUYFSBZLHZTJU-HNNXBMFYSA-N 427.511 2.204 0 1 IEAF COC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 138030131 HBBWXDGEOJRBFR-VJICWTENSA-N 446.452 2.018 0 1 IEAF NC(=O)n1cc(NC(=O)N2C[C@H](F)C[C@H]2C(=O)NCc2cncc(F)c2)c2ccccc21 148349624 WZLRYGPAPYUJEU-KDOFPFPSSA-N 442.426 2.363 0 1 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]1C(=O)C[C@@]1(C)[C@@H]2CC[C@@]12OCO[C@@]21COCO1 169325719 VCEDGOPEEROYHX-OSGBXKQYSA-N 436.501 2.374 0 1 IEAF COCCN1CC(S(=O)(=O)c2ccc3c(c2)nc(CC(C)(C)C)n3CCN(C)C)C1 299838655 QSUDVPGYNDMTCQ-UHFFFAOYSA-N 436.622 2.291 0 1 IEAF CS(=O)(=O)c1cccc(-c2ccc3ncc(-c4cncc(S(C)(=O)=O)c4)n3n2)c1 299841200 YOBINSJSJGRNSF-UHFFFAOYSA-N 428.495 2.265 0 1 IEAF Cc1ccc(C)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc12 586955670 KTYKKLPNZFBVLX-UHFFFAOYSA-N 433.578 2.493 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1)N1CCOCC1 1772577195 ZHQNFSYHCSIISP-MRXNPFEDSA-N 433.516 2.368 0 1 IEAF O=C(Cn1cc([C@@H](O)c2ccccc2)nn1)N1CCN(c2nc3ccccc3s2)CC1 1857547534 AEDVKNAZMCLBHZ-NRFANRHFSA-N 434.525 2.318 0 1 IEAF CCn1cc(-c2csc(=N)[nH]2)c(=O)c2cc(F)c(N3CCN(CC(C)=O)CC3)cc21 1857603899 IHBVLIKAWDNRQR-UHFFFAOYSA-N 429.521 2.408 0 1 IEAF C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@@]1(C)[C@@H](C3)[C@@]2(C)[C@@H](O)C[C@@H](O)C(C)(C)[C@H]2C[C@H]1O 2356348864 IUIGVEPUMGGBCD-AGSWCDHLSA-N 446.540 2.342 0 1 IEAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)c3cc(C)on3)CN(C)C(=O)C2)cc1 2356594603 WXSIEOSSXOUUNP-MSOLQXFVSA-N 442.516 2.055 0 1 IEAF CC(=O)O[C@@H]1[C@H]2[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@H](O)CC[C@H](C)[C@@]13OC2(C)C 2356735421 WAQIWFFEZIMVBD-STFYBPKNSA-N 432.513 2.479 0 1 IEAF OC[C@@H]1CN(Cc2ccccc2)C[C@H](n2cnc3c(NCc4ccncc4)ncnc32)O1 61930527 JRVKSETWUQRYJL-VQTJNVASSA-N 431.500 2.225 0 3 IEAF COc1ccccc1[C@@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(CC(OC)OC)CC(=O)N21 15956507 SBCZPNDQGDKGMM-NTKDMRAZSA-N 449.507 2.480 0 1 IEAF biogenic Cc1cc(C(=O)N[C@@H]2CCN3C(=O)c4cc(-c5ccccc5F)ccc4NC(=O)[C@H]23)nn1C 25176101 UNEWVXIEUSDPME-CTNGQTDRSA-N 447.470 2.500 0 1 IEAF biogenic CC[C@@]1(O)C(=O)OCC2=C1C[C@H]1c3nc4cc(F)c(C)c5c4c(c3CN1C2=O)[C@@H](N)CC5 30690500 DAORZVVXKCFOHD-KEWLPNKHSA-N 437.471 2.410 0 1 IEAF in-man Nc1nc(-c2ccc3c(N)[nH]nc3c2)cc(N2CCO[C@H](C(=O)Nc3ccccc3)C2)n1 64502324 NCSQDKMOKNQGSG-SFHVURJKSA-N 430.472 2.028 0 1 IEAF in-vitro NC(=O)c1ccc2cc(C(=O)N3C[C@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 73224522 ATTQMMYACVSETC-IQGLISFBSA-N 429.524 2.233 0 1 IEAF COc1cc2nc(N3CC[C@H](NC(=O)c4ccoc4)C3)nc(NC[C@H](C)O)c2cc1OC 82119107 LFNQEFINWQXJRN-ZFWWWQNUSA-N 441.488 2.041 0 1 IEAF CC(=O)N1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 95879312 SYCRZHZGRHZUPY-KZKAQZJJSA-N 439.556 2.375 0 1 IEAF Cc1ccccc1S(=O)(=O)NCC[C@H]1CC[C@H](NC(=O)C2CCCCC2)[C@@H](CO)O1 95905520 DDRMKOIBSRTVIH-HSALFYBXSA-N 438.590 2.268 0 1 IEAF CC(=O)N1CCN(c2cnc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)nc2)CC1 147251427 KYNWLDFAISINLQ-UHFFFAOYSA-N 445.589 2.133 0 1 IEAF O=C(CN1c2nc(N3C[C@@H]4CC[C@H](C3)O4)cc(=O)n2CC[C@H]1C(F)(F)F)c1ccncc1 210834436 KWNARWSFHQVMBU-UXLLHSPISA-N 449.433 2.030 0 1 IEAF COc1cc(-c2cnn(C)c2)ccc1Nc1ncc2ccnc(N3CCO[C@H](CO)C3)c2n1 223696629 UVTFAYFOXYIBMJ-SFHVURJKSA-N 447.499 2.375 0 1 IEAF COC(=O)[C@@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 255207079 DOMCOJUVRVJNNU-ATAZZGPMSA-N 438.561 2.197 0 1 IEAF CC[C@@]1(CO)CCN(S(=O)(=O)C[C@H]2CC[C@H](N(C)c3ncnc4[nH]ccc34)CC2)C1 261118342 JCDFDRAISKKNCJ-CBGDNZLLSA-N 435.594 2.377 0 1 IEAF O=C(/C=C\c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1ccc(F)cc1 587166754 IIQLBZKBSHONFA-FPLPWBNLSA-N 437.475 2.104 0 1 IEAF Cn1cccc1[C@@]1(C(Cl)(Cl)Cl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963218621 IMVCNZJYBHFQPS-PRXAMGSTSA-N 442.734 2.120 0 1 IEAF CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N[C@H]1CO[C@@H]2[C@@H](OCc3ccccc3)CO[C@H]12 1772599899 VPKRDZZXQRTKMW-WKWVNEEDSA-N 432.517 2.254 0 1 IEAF Cc1c(C(=O)N2CCC(n3cccc3Cl)CC2)cnn1-c1nc(=O)c2cccn2[nH]1 1857617923 OYCXUMZLOGNTAD-UHFFFAOYSA-N 425.880 2.449 0 1 IEAF O=C(N[C@H]1CCCC[C@@H]1O)[C@H]1CN(Cc2ccc(-n3cccn3)nc2)c2ccccc2O1 1857638617 VZUWLKKPSZQUHU-RCZSKKKRSA-N 433.512 2.455 0 1 IEAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@H]2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 2356287646 NAXNVSZMKPIQTM-XSLAGTTESA-N 431.432 2.270 0 1 IEAF CC(=O)N1CCCN(CC[C@H]2CN(C(=O)Cc3ccccc3)CC[C@H]2CC(=O)O)CC1 12481005 CKMDCYFYUFGIHR-VXKWHMMOSA-N 429.561 2.113 0 1 IEAF biogenic O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCCNCCO)ccc2c1CCCC2 14964458 OROIQBSGYNTNRY-UHFFFAOYSA-N 447.557 2.448 0 1 IEAF NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 18174495 NESPBDIIPPWXAO-UHFFFAOYSA-N 429.424 2.102 0 1 IEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@H]2C(=O)NCCCN2CCN(C)CC2)co1 82073139 XZTBHLOPXHOQDU-NRFANRHFSA-N 439.560 2.008 0 1 IEAF CNC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889102 IJEGDLNEQMJCTO-POAQFYNOSA-N 444.532 2.267 0 1 IEAF COC(=O)[C@H](C)N[P@@](=O)(OCC=C=Cn1cnc2c(N)ncnc21)Oc1ccccc1 100819811 ZWOUVTOOKNGCTM-SBQMJGCGSA-N 444.388 2.389 0 1 IEAF C[C@@H](N1CCn2nc(-c3ccco3)nc2C1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 169343606 KSEVMJFZPQZZRC-SPLOXXLWSA-N 441.442 2.200 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](N=O)C4)n3)cc2)CC1 169702084 RCPANKWWYCZEPP-KRWDZBQOSA-N 433.516 2.092 0 1 IEAF Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(-n3cccn3)n2)n1 205333275 YEAKOKCXGLUHSM-UHFFFAOYSA-N 426.488 2.350 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@@H](C)CO 299874166 AXQFQXGWVHHFIC-WMQCIHAUSA-N 432.561 2.301 0 1 IEAF Cc1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2n1 586957668 CWXVERQLYOMYST-UHFFFAOYSA-N 425.470 2.208 0 1 IEAF C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(N3CCc4nn(C)cc4C3)c2cn1)c1ccccc1 1772635825 YFHNPQHGDZGGIB-SPLOXXLWSA-N 446.515 2.498 0 1 IEAF CCOC(=O)CNC(=O)O[C@H]1C(=O)c2ccc(OC)cc2O[C@@H]1c1ccc2c(c1)OCO2 8681913 GVEHTRFPNPSVNZ-RTWAWAEBSA-N 443.408 2.398 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2O)C[C@H]2CC[C@@H]1N2C 26400270 QYYWMLHRGDGTBW-UEEZHKSASA-N 445.253 2.178 0 1 IEAF CCO[P@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OC(C)C)nc(N)nc43)[C@](C)(F)[C@@H]2O1 95572624 JRNUYXDEIBNSLT-MVXGGCNYSA-N 431.361 2.381 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C 95679675 FMLIOVYWMFMXNA-WIEQDCTASA-N 431.533 2.388 0 1 IEAF C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O 95702139 HGRXOVGPYAFSIY-HPPAQTIBSA-N 436.574 2.357 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 95899337 GUFQTAZGDROFPH-MVIJMRCYSA-N 432.517 2.105 0 1 IEAF Nc1cc(CN2CCC(F)(C(=O)N3CCC(N4Cc5cccnc5C4)CC3)CC2)ccn1 96285184 UCIYVMWYWYHGNV-UHFFFAOYSA-N 438.551 2.370 0 1 IEAF O=C1CC[C@@H](N2C(=O)c3ccc(CNC(=O)Nc4ccc(Cl)cc4)cc3C2=O)C(=O)N1 116110220 GACAOIKPNDQHIU-MRXNPFEDSA-N 440.843 2.063 0 1 IEAF Cn1cnc(S(=O)(=O)N2CCC[C@@H](c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c1 145227824 ZJTWQEUWGZKMKV-OAHLLOKOSA-N 446.577 2.083 0 1 IEAF CN(C)CCN(Cc1ccccc1)C(=O)[C@H]1CCN(c2ccc(C(N)=O)c3ncncc23)C1 147627015 JQAYIDUGXAEGLA-IBGZPJMESA-N 446.555 2.145 0 1 IEAF CO[C@@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)CC=C[C@H]1C 253986447 HHEXKUYCUJXZBF-IVDHNXQLSA-N 437.533 2.272 0 1 IEAF C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 299883326 RDIUJKUNNHBFNZ-OZOXKJRCSA-N 440.544 2.071 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cncc(Br)c3[nH]2)[C@H](C)O)cc1 586934779 ATYXNTJHHBHBSB-XPTSAGLGSA-N 441.307 2.129 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cccc(C(=O)O)c3[nH]2)cc1 586940479 UBIMBRKFFFDJDC-KRWDZBQOSA-N 442.497 2.212 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 587838685 DNXLOBQXUOLMBR-BMLIUANNSA-N 428.327 2.237 0 1 IEAF CC1(C)O[C@@H]2[C@H](CO)O[C@H]3[C@@]4(c5c[nH]c6ccccc56)C(=O)c5ccccc5N4C(=O)[C@@]32O1 2356747644 KRWUDKFCELFAOW-RPNBRBQBSA-N 446.459 2.256 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccc(OC)cc4N(C)[C@H]32)[C@H]1OC(C)=O 2356782105 CSHQJCAFJIVSSZ-VTAPFKKHSA-N 438.524 2.279 0 1 IEAF O=C([C@H]1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 9681477 JEKKSZLPQUUNRN-KRWDZBQOSA-N 448.976 2.485 0 1 IEAF CC(C)[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)CCC/C=C/CCC[C@H](CO)NC1=O 38154502 YHDJLKNLPJORET-BFQLNGAHSA-N 425.570 2.408 0 1 IEAF COCON1C(=O)[C@H](Cc2ccccc2)N(Cc2ccccc2)[C@@H]([C@H](O)C(C)C)C1=O 84705490 INXIREHIWXMPMQ-FDFHNCONSA-N 426.513 2.390 0 1 IEAF CCCc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 95675923 PYJMYSQFCOCJMQ-BPQIPLTHSA-N 442.969 2.161 0 1 IEAF CCCc1cn(CC[C@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 95675926 PYJMYSQFCOCJMQ-NJAFHUGGSA-N 442.969 2.161 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1 95900140 ALBNIJOYEDEARG-JXYHXMIBSA-N 425.485 2.245 0 1 IEAF O=C(O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 95900568 FNDPGVQZUOXHHT-GYBPZWCXSA-N 427.409 2.137 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(-c4ccc(C(=O)NC5CC5)s4)nc23)N1 144849459 UBUDPUHHXLRUFS-AUWJEWJLSA-N 449.496 2.105 0 1 IEAF CC[C@@H](C)C(=O)O[C@H]1C(=O)O[C@@H]2Cc3c(C)ccc(C)c3[C@@H]3[C@@]24CO[C@@]3(O)[C@H](O)[C@H](C)[C@H]14 197229955 VKVWZVMINVDSAR-NCTXFZRASA-N 444.524 2.158 0 1 IEAF COc1ccc2c(c1)C(=O)c1c-2c(N2CCN(C[C@H](O)CN(C)C)CC2)nc2ccccc12 473120187 CGMHXEPQKJVKEP-QGZVFWFLSA-N 446.551 2.499 0 1 IEAF Cc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1C 586955665 KMRYTQFEAPCOIV-UHFFFAOYSA-N 433.578 2.493 0 1 IEAF COc1cc2c3c(c1)O[C@](C)(c1c(C)nn(CCC(=O)N4CCOCC4)c1C)[C@@H](C2)C3=O 587431296 JQEHOZAYTCOXHA-UUOWRZLLSA-N 439.512 2.420 0 1 IEAF CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)CN(Cc2ccccc2)CCCCCCNC1=O 1911577863 FEVPYCXWRIFJNO-FPOVZHCZSA-N 430.593 2.214 0 1 IEAF O=S(=O)(N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@H]1O)c1ccc(Cl)cc1 2356773506 BCWCSISZDLWUIW-SJXGUFTOSA-N 436.839 2.310 0 1 IEAF Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCCc2cnc[nH]2)c1 28709951 SMXFXFXTOWXPSC-UHFFFAOYSA-N 441.923 2.192 0 1 IEAF O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 36385245 YIWJEBPTHXRHQF-RDDJBPDISA-N 437.540 2.014 0 1 IEAF COc1cc2c3c(c1O)-c1c(cc(OC)c(OC)c1OC)CC[C@@H]3N(C(C)=O)[C@H](O)C2=O 84758740 ATZSTPPLRDKSNP-ZAMGYDSWSA-N 443.452 2.444 0 1 IEAF CCNC[C@@H](O)COc1ccc(C2=Cc3ccc(OC[C@H](O)CNCC)cc3OC2)cc1 95605545 NJIRUTUUGUANOB-FGZHOGPDSA-N 442.556 2.318 0 1 IEAF CCOCC[C@@]1(Oc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)NC(=O)[C@@H](N)C1=O 101011879 HYDHEJPXRHGPLP-UWJYYQICSA-N 432.860 2.229 0 1 IEAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2cccc(S(N)(=O)=O)c2[nH]1 586985249 SRFWDYNHYBORPX-AWEZNQCLSA-N 437.319 2.393 0 1 IEAF COc1cc(F)cc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)nc2)c1 1772625924 HODBGTNXZDNSDJ-UHFFFAOYSA-N 441.444 2.263 0 1 IEAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(S(=O)(=O)CC(=O)O)cc1 1857558580 JWRWQGAIWWMMBE-CQSZACIVSA-N 427.482 2.436 0 1 IEAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C(=O)N1Cc1cccc(Cl)c1 2356290706 ZTBZWZGUWHVWMR-WOJBJXKFSA-N 443.906 2.038 0 1 IEAF COc1ccc(-n2nc(C(=O)NCC(=O)N3CCC[C@H](C)C3)c3ccccc3c2=O)cc1 9833404 JSZVXSPTXSYRIH-INIZCTEOSA-N 434.496 2.383 0 3 IEAF C[C@@H](NC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 9287992 ZMMSLNCRPVGAKE-UKRRQHHQSA-N 443.529 2.282 0 1 IEAF Cc1nnc(SCC(=O)N2CCC[C@@H](CNS(=O)(=O)c3cccs3)C2)s1 11932696 SQZAOQMZTGQRFS-LBPRGKRZSA-N 432.618 2.217 0 1 IEAF Cc1ccc(N(C)C(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)cc1 20487652 HAGIGLCHGURSJN-UHFFFAOYSA-N 427.324 2.066 0 1 IEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)CC4(CC(=O)O)CCCC4)[C@H]3C2=O)c1 25412407 JJVJTEYHSOIKIU-QFBILLFUSA-N 429.473 2.146 0 1 IEAF biogenic COc1ccc(CN(C)CCc2ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc2)cc1 26259123 ZRJAGFCBAHOBJK-UHFFFAOYSA-N 426.560 2.095 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Nc4ccccc4[C@H]3N(C)C2=O)CC1 40420410 VFBNJJWSAOVOMH-FGZHOGPDSA-N 435.528 2.247 0 1 IEAF COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@H](C)[C@@H](OC)CN(C)C2=O 95794335 MDBZRSBKDCCZHT-HOIFWPIMSA-N 447.576 2.488 0 1 IEAF C/C=C/c1ccc([C@H]2[C@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@@H]23)cc1 95866894 SULNXHFLFQMGME-YHJQUOROSA-N 430.501 2.219 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)CC1CC1 95880663 JJLFVJLDWGIJCT-STSBTQPBSA-N 448.519 2.482 0 1 IEAF COC(C)(C)[C@H](O)COc1c2ccoc2c(OC[C@H](O)C(C)(C)O)c2oc(=O)ccc12 238787154 JBURUDZOJCNRNS-LSDHHAIUSA-N 436.457 2.215 0 1 IEAF CC[C@@H]1C=C(C(=O)N[C@]2(C(=O)O)C[C@@H]2CC)[C@@H]2Cc3cc4c(O)nc(O)nc4nc3[C@H]2C1 587554642 MENNXKORTRMDTP-XLJGIBIDSA-N 438.484 2.418 0 1 IEAF Cn1nnc(-c2ccc3[nH]c4nc(Cc5ccccc5)nc(N5CCNCC5)c4c3c2)n1 1857543053 IHLORYZJTDCUQU-UHFFFAOYSA-N 425.500 2.302 0 1 IEAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@]23OC(=O)C[C@H](O)C(=O)[C@H](O)CC1 2356635590 CPUYYHYAZGIPJE-KFANHPLESA-N 433.545 2.062 0 1 IEAF CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(F)cc1 61949176 PCQBHFUWOZEUQL-XZWCOCNFSA-N 449.482 2.072 0 3 IEAF C[C@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 8812845 GNBLTIUNWWOICW-KSFYIVLOSA-N 432.590 2.241 0 1 IEAF C[C@H]1CN(CCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)Cc2cc(Cl)ccc2O1 12054727 XHUVRQSVWIBJPE-KRWDZBQOSA-N 449.979 2.410 0 1 IEAF CC(=O)c1ccc(N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 28572269 NUNPXYZTMBEMAC-HSZRJFAPSA-N 441.482 2.469 0 1 IEAF O=C(O)c1cn2c3c(c(N4C[C@@H](F)[C@@H](CNC5CC5)C4)c(F)cc3c1=O)OC[C@@H]2CF 34324035 CZYDTCXZKQGPJZ-KNHMANMVSA-N 437.418 2.268 0 1 IEAF COc1cccc(CNC(=O)[C@H]2[C@H](CO)[C@H]3Cn4c(ccc(C5=CCCCC5)c4=O)[C@@H]2N3)c1 95880964 HAJOWFCPAMKRPT-HTDNTCHWSA-N 449.551 2.382 0 1 IEAF O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 95903981 PJLYZSQZMHURAL-HBMCJLEFSA-N 438.590 2.101 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587842142 DEHUNFIOUJGMHT-MOCULFSLSA-N 434.327 2.316 0 1 IEAF COc1ccc([C@@H]2C[C@H](O)[C@H](O)[C@@H]2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)cc1 2356287643 NAXNVSZMKPIQTM-FJIDUMEYSA-N 431.432 2.270 0 1 IEAF O=C(NCCCN1CCCCCC1)c1ccc2c(c1)NC(=O)[C@@H](N1CCOCC1)S2 2941201 DNEQSWPVLQJHOO-QFIPXVFZSA-N 432.590 2.385 0 3 IEAF Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3[C@]3(C)C(=O)N(CC4CC4)CC(=O)N23)o1 15941174 XLAYURVLMUAVEC-QTDDQOEGSA-N 447.491 2.288 0 3 IEAF CCOC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 13734532 WVIZSLNWTBWTFE-IBGZPJMESA-N 434.429 2.059 0 1 IEAF COc1cc(N[C@@H](C)CCCNC(=O)[C@H]2CCCN2C(=O)[C@@H](C)N)c2ncccc2c1 45253237 JPYLVESCYSATAT-RZQQEMMASA-N 427.549 2.278 0 1 IEAF CN1CCC[C@H]2CN(c3ccc(-c4ccc5c(c4)OC[C@H]4[C@H](CO)OC(=O)N54)cn3)C[C@H]21 95581541 BDFAILCCIXZBGM-UFGBVDADSA-N 436.512 2.358 0 1 IEAF COc1ccccc1C(=O)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 95893363 IUOZFGPRILADDD-GIWBLDEGSA-N 436.508 2.438 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H]4CCC[C@@H]4CO)n3)cc2)CC1 144801296 WZBFTKJDZVUHHQ-QUCCMNQESA-N 448.571 2.320 0 1 IEAF O=C1N[C@@]2(CC[C@@H]3C[C@@H]32)n2c1c1c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC1 205044641 PBCPAPYNBOUQJL-IWGBLYGRSA-N 443.862 2.371 0 1 IEAF CCn1cc(-c2cc3c(-c4cccc(N5CCN(C6COC6)CC5)n4)n[nH]c3cn2)cn1 205266040 BWJJFTLXLCDZOH-UHFFFAOYSA-N 430.516 2.424 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2ncc(Br)cc2[nH]1 587179470 ARQUJEGYGDNNCJ-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF CC(C)(C)OC(=O)N1CCc2c(ccc3c2NCCC3)[C@@H]1[C@@H](O)COP(=O)(O)O 961752327 VKWSVBSDAOQXPA-DOTOQJQBSA-N 428.422 2.349 0 1 IEAF NCC1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1 1772626092 NNLWFIKABAXKET-UHFFFAOYSA-N 444.490 2.160 0 1 IEAF CN1CC2=C(C1=O)[C@H](c1ccc(F)c(Br)c1)C1=C(CCCS1(=O)=O)N2 13580029 WYSWJXLZAYOLSM-AWEZNQCLSA-N 427.295 2.421 0 1 IEAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Cc2ccc(OC)cc2)c1=O 25217832 TWXCCXPVPVGRDR-MSOLQXFVSA-N 439.512 2.020 0 1 IEAF biogenic CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ccno1)n2CCC(N)=O 40409801 XHDJLFMWGGDHMB-UHFFFAOYSA-N 432.440 2.429 0 1 IEAF C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)C(=O)c1ccc(-c2cc(N)ncn2)cc1 43122558 CJUWJYRHCYSUGB-MRXNPFEDSA-N 429.480 2.282 0 1 IEAF O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 95794449 MUXVQBHTPJFPFX-DHIUTWEWSA-N 442.581 2.317 0 1 IEAF CCC[C@@H](OC(=O)CO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231559 MELUVIHVOVOFLA-SSDOTTSWSA-N 429.017 2.349 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC2(CCNC2)C1 169699414 MHRMUSFRYAEPDH-UHFFFAOYSA-N 445.499 2.456 0 1 IEAF CN(C)S(=O)(=O)c1cccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c12 586929053 QHJREVYFVIGEBJ-UHFFFAOYSA-N 442.950 2.287 0 1 IEAF CN(C)S(=O)(=O)c1cccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c12 587236905 HDRJIDXOSSKPAZ-UHFFFAOYSA-N 438.550 2.468 0 1 IEAF O=C(CSc1nnc(O)nc1O)n1nc(-c2ccc(F)cc2)c2ccccc2c1=O 587661348 OLCYICSJKMRPMX-UHFFFAOYSA-N 425.401 2.231 0 1 IEAF O[C@H]1C[C@@]2(n3cnc4c(NCc5ccccc5OCCF)nc(Cl)nc43)C[C@H]2[C@H]1O 1772618336 IHLWYZLUTIQPGV-YDYCPSOVSA-N 433.871 2.281 0 1 IEAF O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2cccc(F)c2F)CC1 28705032 RBBVFBSYKASBCJ-UHFFFAOYSA-N 446.479 2.140 0 1 IEAF CN1CCN(Cc2nnc(-c3cnc(NCCc4ccncc4)nc3NCC3CC3)o2)CC1 45497832 NCBRHWCSABHGQI-UHFFFAOYSA-N 449.563 2.146 0 1 IEAF O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1F)c1ccccn1 73196631 LIFOQDABDOAYFP-UHFFFAOYSA-N 433.442 2.371 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(C)=O)cc2OC[C@@H](C)N(C(=O)C2CC2)C[C@@H]1C 95679673 FMLIOVYWMFMXNA-ZSDSOXJFSA-N 431.533 2.388 0 1 IEAF Cc1ccc2oc(=O)c([C@@H](c3ccc(F)cc3)c3c(N)n(C)c(=O)n(C)c3=O)c(O)c2c1 103237773 RMNDIPGZSOWHLO-MRXNPFEDSA-N 437.427 2.106 0 1 IEAF CN(C)CCNc1cc(Nc2cccc(Cl)c2)nc2c(/C=C3\NC(=O)NC3=O)cnn12 117817852 OPHSVEZOMFPCFL-NVNXTCNLSA-N 440.895 2.280 0 1 IEAF NC(=O)n1cc(CC(=O)N2NCC[C@H]2C(=O)NCc2cccc(Cl)c2)c2ccccc21 148197023 HIEUQZOATBCTOB-IBGZPJMESA-N 439.903 2.186 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 169360688 DOMYQNDGOGEIPJ-WFXMLNOXSA-N 435.480 2.171 0 1 IEAF CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229383 WBGWMCHQIXSESQ-DVECYGJZSA-N 434.448 2.412 0 1 IEAF NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CC[C@@H](CO)C2 1772640978 LVAXPNLWVSQKIP-OAHLLOKOSA-N 429.542 2.029 0 1 IEAF O=C(c1ccc(Cl)cc1)N1C[C@H]2COCCN2C2(C1)CN(C(=O)c1ccccc1)C2 2356288663 IRABRBFZKLDTBM-FQEVSTJZSA-N 425.916 2.391 0 1 IEAF O=C1CC[C@]23C=CC(=O)NCCCNCCCCNC(=O)C=Cc4ccc(c2c4)O[C@H]3C1 2356454497 NSVPHQMOMALUHK-DHLKQENFSA-N 437.540 2.014 0 1 IEAF CCOCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2nsnc12 9692558 CWJHXBLLFIRODL-QGZVFWFLSA-N 448.570 2.124 0 3 IEAF CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3oc(=O)c4ncn(CC)c4c3c2)CC1 9560706 RFHJHCWHYLSLPX-UHFFFAOYSA-N 448.501 2.062 0 1 IEAF Cc1cc(C)c2c(n1)nn1c(N)c(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)nnc21 49784252 VONCZZZUJWRJCJ-UHFFFAOYSA-N 436.501 2.163 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 59052490 HPMLNBIUWWBSTD-FHBCLOHASA-N 438.572 2.220 0 1 IEAF CN(CC(=O)N1CCCC1)C(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2 65259738 WAHBWXOEGCFJAI-FQEVSTJZSA-N 447.601 2.338 0 1 IEAF COCCn1c(=O)c(NCc2cccc(OC)c2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205016 ZDZLJAQLOGYNQS-IBGZPJMESA-N 436.512 2.314 0 1 IEAF CCN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCC1CC1 95879499 IWIMONLYTVIBHE-VXSCBNMQSA-N 425.504 2.164 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1cccc(F)c1 95879610 ONFSIUOPTSVCHZ-YXPKMTABSA-N 449.482 2.386 0 1 IEAF COc1ccccc1[C@H](C)Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205048221 KYXOTCZXUZWCFU-GPILYODUSA-N 434.460 2.061 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccccc4)cc32)[C@@H](C(=O)N(C)C)CN1 219018794 WVYSFJMJSGWZGD-XMSQKQJNSA-N 449.599 2.047 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C[C@H](N)C(=O)O)(c2cccc(O)c2N)N1 587750964 VNQSUJUEIYZKIC-QZBIMVINSA-N 438.297 2.456 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C 2356688918 QXVLIRIYIXSOMI-UHGZNXFKSA-N 435.561 2.267 0 1 IEAF CNCC(=O)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@H]2C1 4235953 VVVMNFAFFVAAEK-GOSISDBHSA-N 446.429 2.197 0 1 IEAF biogenic Cc1csc2ncnc(N3CCC(NC[C@@H](O)COc4ccc(O)c(CO)c4)CC3)c12 64549195 JOMRBIAUJPLIIS-QGZVFWFLSA-N 444.557 2.196 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC 82235470 IYEMEHUPTVQDQS-IOMROCGXSA-N 444.576 2.113 0 1 IEAF Cc1ccccc1-n1c(Cn2nc(C(N)=O)c3c(N)ncnc32)cc2cccc(C)c2c1=O 88345659 ZBMSILUYNLJEMN-UHFFFAOYSA-N 439.479 2.477 0 1 IEAF CCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1 95880159 DNAAFAZERTXCJG-CJTFWIGWSA-N 444.535 2.210 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1C(=O)CC1CC1 95880322 NVBKCAMXPCIQLF-QPAOKJHLSA-N 440.471 2.118 0 1 IEAF CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 95880777 ZHODZMRMZSRMEP-KZKAQZJJSA-N 435.524 2.038 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1Cc1cccc(F)c1 95881451 QSBCJQTYLRTAIU-RLBLXZPPSA-N 449.482 2.386 0 1 IEAF FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2C[C@H]3CC[C@H](C2)O3)n1 101336398 VTWMWRJHQXVFGY-ZIAGYGMSSA-N 443.458 2.352 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CN4CCC3CC4)c2c1=O 115624648 FLMZRNBJVZLUEK-JOCHJYFZSA-N 446.555 2.338 0 1 IEAF O=C1NCCCC[C@H]1Nc1nc(N2CCOCC2)nc(O)c1-c1nc2ccccc2s1 473112142 DEYZTVGQAGBUHC-CQSZACIVSA-N 440.529 2.376 0 1 IEAF COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@H](C)O)c2)ccc1O 2356349438 FJOVRIHOOSOTRE-QFBILLFUSA-N 447.528 2.299 0 1 IEAF O=C1CC[C@@]23C=CC(=O)NCCCNCCCCNC(=O)C=Cc4ccc(c2c4)O[C@H]3C1 2356454500 NSVPHQMOMALUHK-WIOPSUGQSA-N 437.540 2.014 0 1 IEAF COc1cccc(C(=O)NCC2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@@H](O)C2)c1 2356643300 OEOYIOONMWKXOW-IRXDYDNUSA-N 440.418 2.420 0 1 IEAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@H]1CCCC[C@@H]1C1CCCCC1 95552887 JLSBUFBFRHJMEC-GDHSQPOBSA-N 427.626 2.462 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 95886761 SGRCZZJBURZTBJ-ZGXWSNOMSA-N 449.548 2.098 0 1 IEAF CCCNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888691 NPBHNGVMTQKIGK-AYBZRNKSSA-N 432.521 2.125 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@H](F)[C@H](N)CC1 169699306 AILISLXEICJHGJ-LSDHHAIUSA-N 442.474 2.116 0 1 IEAF O=C(Nc1cncnc1C(=O)N1CCCC1)c1nc(C2CC2)cnc1Nc1cncnc1 169701840 ALBCMVKRSOUJJZ-UHFFFAOYSA-N 431.460 2.166 0 1 IEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 253634017 MLMDXZWBKZKHCA-GDBMZVCRSA-N 428.422 2.392 0 1 IEAF CCS(=O)(=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587205569 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448.487 2.278 0 1 IEAF CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N 209984524 YGGNEJYNMPDEHB-RTBURBONSA-N 438.463 2.103 0 1 IEAF COc1c(N2C[C@H]3C[C@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 299805943 GVXGDRVPKYAEOK-YPMHNXCESA-N 425.416 2.093 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@H]5O[C@H]6CO[C@H]7O[C@@H]([C@@H]4[C@@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)[C@@H](O)C1 473134791 CWGULWSLLTUZPK-ULDPGSKJSA-N 446.540 2.002 0 1 IEAF N[C@@H](CP(=O)(O)O)c1nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2[nH]1 586919716 FHDFEHLVTAGBSU-LBPRGKRZSA-N 430.810 2.195 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@H]([C@@H]1C)[C@H](O)C(=O)[C@H]1[C@@]2(C)CCC[C@@]1(C)C(=O)OC 2356412899 GIXHVOWBYFQWRP-PXSXVHTPSA-N 435.561 2.267 0 1 IEAF CC(=O)OC[C@H]1O[C@H](OC(C)(C)[C@H]2CC=C(C)CC2)[C@@H](O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356510811 MMAWDOHNXONWOF-LEKSSAKUSA-N 442.505 2.040 0 1 IEAF COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=O)CCN(C)C4)CC1 591024 XIFDEBVFTXMLPP-UHFFFAOYSA-N 439.585 2.277 0 1 IEAF COC1=C(C)C(=O)O/C1=C1\O[C@]23CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)[C@H](C[C@H]4[C@H]2[C@@H]1C)O3 40865915 YPHURJCNLMUQQJ-UHKURQFNSA-N 431.485 2.241 0 1 IEAF O[C@@H]1CS[C@@H](Cn2cnc3c(NCc4cccc(Br)c4)ncnc32)[C@@H]1O 64251707 JCJKLHDTZMTZHJ-VNHYZAJKSA-N 436.335 2.038 0 1 IEAF C[C@@H](NC(=O)c1coc(-c2ccc3ccccc3c2)n1)C(=O)NCCCN1CCN(C)CC1 82083558 UYHDASGPFWSGBD-GOSISDBHSA-N 449.555 2.367 0 1 IEAF Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CCO 84758275 XKEULLFUOFIMBB-NVXWUHKLSA-N 438.500 2.203 0 1 IEAF C[C@@H](NS(=O)(=O)CC/C=C/Cn1ccc(=O)[nH]c1=O)c1cccc(OC2CCCC2)c1 95561138 RASQWVGKTZRKSQ-WAUBUAMCSA-N 447.557 2.485 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884907 RGZNDINNLTYFNJ-BXXSPATCSA-N 438.609 2.109 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95905694 ALLIEMYEDHFUCC-CEXWTWQISA-N 439.940 2.303 0 1 IEAF CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)C/C=C\[C@H]1C 137294614 KBHPPKYRDDJVFM-YFUYUIHJSA-N 426.506 2.461 0 1 IEAF Cn1ccnc1[C@@H](c1ccccc1)N1CCN(c2ncnc(N)c2Br)CC1 219306392 ITIQMTLGCGOCCV-MRXNPFEDSA-N 428.338 2.466 0 1 IEAF C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 238760131 ZCTHOTXPRNWRNQ-YNCGQCBQSA-N 426.513 2.138 0 1 IEAF O=C1[C@@H]2[C@H]3CC[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 253693672 KHOAMOKCCGVUEC-XREYTECCSA-N 443.979 2.309 0 1 IEAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299886457 XFAZEUCOKRLPHX-ZJQAESRUSA-N 441.572 2.309 0 1 IEAF O=C1COc2cc(Br)ccc2N1CCc1nc2ccc(-n3cnnn3)cc2[nH]1 587003204 QXJLSCFKGNHHQQ-UHFFFAOYSA-N 440.261 2.269 0 1 IEAF CC[C@@]1(c2cnc(NC(N)=S)nc2O)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962729907 KZKKEPJQVRHKRF-SJKOYZFVSA-N 425.436 2.137 0 1 IEAF CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962903176 VXXJLSOMSVLXIG-MZLICYQSSA-N 440.471 2.232 0 1 IEAF COc1ccc(CNC(=O)[C@H]2CCC[C@H](NC(=O)c3cc(C)on3)CN(C)C(=O)C2)cc1 2356594604 WXSIEOSSXOUUNP-ROUUACIJSA-N 442.516 2.055 0 1 IEAF C[C@@H]1[C@H](c2ccc(OCO)c(OCO)c2)O[C@@H](c2ccc(OCO)c(OCO)c2)[C@@H]1C 2356628119 HDENUUQCMLFGHC-IETVQMFBSA-N 436.457 2.086 0 1 IEAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)[C@H](O)NCCCNCCCCCCCCN 27651493 JTDSKKPKSNZTHK-UPVQGACJSA-N 436.641 2.407 0 1 IEAF CC(C)C[C@@H](CSCC(=O)O)NC(=O)[C@H]1C(=O)CCN1C(=O)OCc1ccccc1 28009701 ZLVZBQCDUHFVII-QFBILLFUSA-N 436.530 2.315 0 1 IEAF O=C(O)CCCC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1 39614017 OQUVHSGEPDBFSD-UHFFFAOYSA-N 445.447 2.077 0 1 IEAF Cc1nc(-c2ccc([C@H]3CN(c4nc(-c5ncncc5F)cc(=O)n4C)CCO3)cc2)no1 68248512 GGVXSTCGTIKQRI-GOSISDBHSA-N 449.446 2.313 0 1 IEAF CC[C@@H]1Cn2c(c(NCc3ccc(C(=O)OC)cc3)c(=O)n(Cc3ccncc3)c2=O)N1 82207896 GJXNBCGYIOJEFT-GOSISDBHSA-N 435.484 2.056 0 1 IEAF C=C(Cl)C(=O)N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@]31CCN(CC1CC1)[C@@H]2C5 101260112 MVSBLZZXOLNTIU-OMZJQYJESA-N 428.916 2.402 0 1 IEAF C[C@H]1COCCN1c1cc(CS(C)(=O)=O)nc(-c2ccc(NC(=O)N(C)C)cc2)n1 139004543 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C[C@@H](NS(=O)(=O)CCCCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1 116100987 UCIJMEFMZBSWQU-MRXNPFEDSA-N 435.546 2.176 0 1 IEAF Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4COCC[C@@H]4O)c4ncccc43)cc2)cn1 473134076 DPQZMHNEOGYFCG-UNMCSNQZSA-N 431.496 2.365 0 1 IEAF COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)nc12 586944980 ACZSPXYWFIDJTE-ZDUSSCGKSA-N 430.486 2.177 0 1 IEAF CCCCCC[C@H](O)C=CC(=O)O[C@@H]1[C@H](C)O[C@](C)([C@H](O)[C@H](C)C(=O)O)[C@@H](O)[C@@H]1C 2356773560 CIZAXJJDWVUEEL-HTSNFSMNSA-N 430.538 2.042 0 1 IEAF N=C(N)c1ccc2[nH]c(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)c3ccccc3)cc2c1 13776125 JSPYGRQPUPDEET-ICSRJNTNSA-N 447.495 2.389 0 1 IEAF Cc1nnc(N2CCC[C@@H](C(=O)N3CCN(C)CC3)C2)c2nn(-c3ccccc3)c(C)c12 20564695 KLUNOTVFXRFTPV-LJQANCHMSA-N 433.560 2.423 0 1 IEAF Nn1c(CCCCN2CCN(c3ccc4cc(O)ccc4n3)CC2)nc2c(c1=O)CCCC2 64448337 QCJPMOOSRAYGGE-UHFFFAOYSA-N 448.571 2.235 0 1 IEAF CNC[C@@H]1Oc2cc(-c3ccc(OC)cc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C 95728584 IKLBQHYZUPDKAN-ZOCZFRKYSA-N 434.558 2.350 0 1 IEAF O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@H](CO)O1)NCC(F)(F)F 95899669 JJTXKXWGELMLKZ-FDZBUTDGSA-N 442.434 2.488 0 1 IEAF CSc1cccc(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 145113461 AGHHWRIONRDRFU-NVNXTCNLSA-N 436.501 2.213 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(CCCCN1C(=O)[C@@H]3[C@H](N=CN3C)N(C)C1=O)O2 587400459 PUUHASIWZAQYMB-KPLVRAHFSA-N 427.505 2.034 0 1 IEAF COCOCC[C@H](NC(=O)OC(C)(C)C)[C@@]1(CF)N[C@H](C(=O)O)Cc2cccc(F)c21 962897939 DNXMEODQAINWEP-CKJXQJPGSA-N 444.475 2.493 0 1 IEAF COc1cc2c(c3oc(=O)c4c(c13)CC[C@]41NCCc3c(C)ccnc31)[C@]1(O)C=CO[C@@H]1O2 963078173 XQNSCVIFQQCOMS-DSNGMDLFSA-N 446.459 2.291 0 1 IEAF COC1=C(OC)/C(=C/[C@@H](n2cnc3c(Cl)ncnc32)P(=O)(OC)OC)OC1=O 13490670 KMHTYHHUTHPWPP-RDOCRHDPSA-N 430.741 2.409 0 1 IEAF N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N2CCN(c3ccccc3)CC2)c1 27193977 FFVKQMAZIJQTGD-UHFFFAOYSA-N 431.924 2.486 0 1 IEAF CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)OCC)cc3O)nc2n(CCC)c1=O 27704234 GPDXZHGXVOKLDK-UHFFFAOYSA-N 430.461 2.021 0 1 IEAF O=C(Nc1ccccc1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccc(F)cc1 95881084 SIEITLLZNQIPDB-NEKRIBJYSA-N 447.466 2.430 0 1 IEAF COc1cc2nc([C@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2cn1 586934739 AOKSHHXFTOXROJ-LJQANCHMSA-N 431.518 2.278 0 1 IEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587193949 JSITZNFZPRCUHH-CQSZACIVSA-N 425.555 2.331 0 1 IEAF CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962903175 VXXJLSOMSVLXIG-DCLXLUIPSA-N 440.471 2.232 0 1 IEAF C[C@H](O)[C@H](O)C=Cc1cccc(O)c1CO[C@@H](C=Cc1cccc(O)c1CO)[C@@H](C)O 2356563949 GMFSMTQDXLWFSS-IIFSBUPPSA-N 430.497 2.324 0 1 IEAF COc1cc2ncn(CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(=O)c2cc1OC 2356708807 CZVAYSFOJQBQOW-LPHOPBHVSA-N 428.533 2.137 0 1 IEAF CC(=O)OC[C@]12[C@@H](C(=O)C=C[C@@]13CO3)[C@@](C)(CCC1=CC(=O)OC1)[C@@H](C)C[C@H]2OC(C)=O 15158864 ZECRFAVEBTUJCF-CBPBGMLUSA-N 446.496 2.301 0 1 IEAF biogenic CC[C@H](C)[C@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 15969907 HRCMHRFKYHUSDF-BEVDRBHNSA-N 437.496 2.100 0 1 IEAF biogenic CNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1OC 45286592 ZBKQANPUWYCEKU-SJORKVTESA-N 439.512 2.195 0 1 IEAF COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1coc2ccc(Br)cc2c1=O 71332329 SHLAOPUZXAGLDQ-HNNXBMFYSA-N 437.246 2.373 0 1 IEAF C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cccnc1)c1ccccc1 95881401 ZKFDZCUSKAAQPU-SBFQEZKYSA-N 444.535 2.285 0 1 IEAF O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CCC3(O)CCCC3)ccc1-2 142921454 FXENJTMDNMCZIQ-LJQANCHMSA-N 426.513 2.498 0 1 IEAF NS(=O)(=O)c1cccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c12 587019198 HITQLAHSEOSJIQ-UHFFFAOYSA-N 429.483 2.216 0 1 IEAF O=C(O)c1nn(Cc2nc3cc(Br)ncc3[nH]2)cc1I 587185802 ODPCPFYYXNKNHW-UHFFFAOYSA-N 448.018 2.268 0 1 IEAF CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cccc(OCC(=O)O)c3)CC2)cc1 1772580331 YTSJJDGKJXSMAP-UHFFFAOYSA-N 434.514 2.448 0 1 IEAF CC(=O)Nc1ccc(NC(=O)C2=CN3CCN(Cc4cscn4)C(=O)N=C3O2)cc1 205214117 BYBHDQRQDAWWGL-UHFFFAOYSA-N 426.458 2.205 0 3 IEAF CC[C@@]1(OP(=O)(O)O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 1611446 PRAQDADSDVOMGA-FQEVSTJZSA-N 428.337 2.197 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccnc(C)c4)CC3)c(F)c2)C(=O)O1 11525350 PDEYPIIRXGEAEC-IBGZPJMESA-N 427.480 2.317 0 1 IEAF Clc1ccc2/c(=N/CCCN3CCN(CCCNCC4N=CC=N4)CC3)cc[nH]c2c1 28822348 WBKOLUSGICLBQP-UHFFFAOYSA-N 442.011 2.191 0 1 IEAF O=CN(O)C[C@@H](CC1CCCC1)C(=O)N1CCC[C@H]1C(=O)NC(=O)NCc1ccccc1 84759167 TVUQLYMPXSMCKY-UXHICEINSA-N 444.532 2.048 0 1 IEAF Cc1cccc(C(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)c1 84884057 VIMLBWNIJIOQSL-UHFFFAOYSA-N 444.539 2.379 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCCC1 95810381 ZIMKOTFORJXDIC-KNKQGSTJSA-N 435.613 2.315 0 1 IEAF COC(=O)C[C@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@H](CO)O1 95900081 NPRGNJUPYHXXCW-DYZHCLJRSA-N 433.482 2.045 0 1 IEAF CC(C)(CO)Nc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(OC2CCC2)n1 101584835 FVDARAUNAZZETI-XJTQXEHBSA-N 430.549 2.260 0 1 IEAF CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N 209984564 YGGNEJYNMPDEHB-RBUKOAKNSA-N 438.463 2.103 0 1 IEAF COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(C#N)n4ncnc(N)c34)sc12 218063859 SOSSKSLYRZFQAX-UHFFFAOYSA-N 447.524 2.314 0 1 IEAF C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@@H](N2CCOCC2)S3)C1 226428461 GNBLTIUNWWOICW-ZHRRBRCNSA-N 432.590 2.241 0 1 IEAF CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 299876982 GNPPMCPCONLORU-SFHLNBCPSA-N 432.565 2.180 0 1 IEAF O=C(COc1cccc(NC2CCOCC2)c1)NC[C@H](O)CN1CCc2ccccc2C1 1772640306 OAMWDJZRBPSBOE-QHCPKHFHSA-N 439.556 2.192 0 1 IEAF Cc1ccc2cc(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)c(=O)[nH]c2c1 8680587 PLUSNNPUVJQHJS-UHFFFAOYSA-N 444.538 2.415 0 3 IEAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)NCCN2CCOCC2)c(OC)c1 4296046 YYVFBWBRODDGOQ-FYYLOGMGSA-N 439.512 2.244 0 1 IEAF Cc1c(N2C[C@H](F)[C@@H](C3(N)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 25969369 QEYBPFUVEMVIQD-ZDEQEGDKSA-N 436.434 2.278 0 1 IEAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 36362398 LMFYVFCVLXFQLV-FCGDIQPGSA-N 434.470 2.111 0 1 IEAF biogenic COc1cccc(CCNc2nc(NC[C@@H](O)CO)nc3cc(OC)c(OC)cc23)c1 82128359 DPUPQSJMZQBPAT-OAHLLOKOSA-N 428.489 2.075 0 1 IEAF CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C 95849855 MPDMLCBONFVZSW-JCGVRSQUSA-N 445.520 2.375 0 1 IEAF O=C(C[C@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)NCc1ccccc1 95907029 RAPYHHSVHVGWQE-OPYAIIAOSA-N 441.484 2.152 0 1 IEAF Cc1cnc(SCCN2CCOCC2)nc1[C@@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 12039307 NNYLDKDJEDRNTK-WOJBJXKFSA-N 447.649 2.400 0 1 IEAF Cc1ccc(S(=O)(=O)N2CCN(c3nc(-n4ccnn4)nc4ccccc34)CC2)cc1 36382809 IKYOOLUKEWZWCV-UHFFFAOYSA-N 435.513 2.030 0 1 IEAF C[C@@H]1CO[C@H](C(=O)Nc2ccccc2)CN1c1cc(-c2ccc3c(N)[nH]nc3c2)nc(N)n1 71316200 JTGMDPHLGBACAV-YJYMSZOUSA-N 444.499 2.417 0 1 IEAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3c3ccccc3)CC2)cc1 84730994 VKBTYOLWPAQPQN-RTWAWAEBSA-N 439.537 2.448 0 1 IEAF O=C(NCC[C@@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 95904223 FSCPNKZYECBZAT-SXLOBPIMSA-N 442.553 2.099 0 1 IEAF COc1ccc(C(=O)N2C[C@H]3CN(c4ncc(Cl)c(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 116822757 DNQSPTYXCKTZSR-GJZGRUSLSA-N 439.907 2.236 0 1 IEAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCCO3)cc1 142263048 PFKDLBHFBULNCB-YVTYUBGGSA-N 448.943 2.333 0 1 IEAF C#CCN(Cc1ccccc1[N+](=O)[O-])C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 142521494 OHAMWIVAXOUOHC-NRFANRHFSA-N 427.411 2.488 0 1 IEAF CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]12c1ccsc1CCN2C(N)=O 962698289 GPMBQYJEMOWRGY-XMSQKQJNSA-N 427.526 2.492 0 1 IEAF C[C@H]1CN(C2CC2)C[C@]12N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)Cc1ccccc12 963665706 IDQOUJSBERYRIV-UGVVLKMKSA-N 449.551 2.028 0 1 IEAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1N1CC[C@@H](c2ccccc2)C1 1772605584 PHLGXWORPVBJPM-IRLDBZIGSA-N 442.519 2.471 0 1 IEAF NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1nc([C@H](O)CO)cs1 1857618101 CPMAVYDMIYZHQD-UKRRQHHQSA-N 441.435 2.008 0 1 IEAF O=C1Nc2ccc(-c3ccccc3F)cc2C(=O)N2CC[C@@H](NC(=O)[C@H]3CCCN3)C[C@@H]12 2356874859 ZVTAIKUIMONIIB-LPTQZCDUSA-N 436.487 2.286 0 1 IEAF CN(Cc1nccn1C)C(=O)C[C@@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 11817184 PYCPGEWDUQFUDF-HSZRJFAPSA-N 445.567 2.401 0 3 IEAF COCc1nc2c(OC)c(-c3nc4ccc(N5CCN(C)CC5)nc4[nH]3)cc(OC)c2[nH]1 1658431 OZPDECQZCLFBJQ-UHFFFAOYSA-N 437.504 2.417 0 1 IEAF NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1c1ccc(N)cc1 27413480 NXBVVXKBCHFRQO-CXAGYDPISA-N 437.475 2.330 0 1 IEAF CCN(CCOC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49112412 GAJDRPXQGJTYDN-SFHVURJKSA-N 432.492 2.033 0 1 IEAF COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H]1CCCC[C@H]1N2 82205679 NLFFPLLBASUKRX-QZTJIDSGSA-N 427.505 2.136 0 1 IEAF CCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCCC1 95880925 ISOBHNRXYZVVJN-KZKAQZJJSA-N 436.556 2.343 0 1 IEAF Cc1cc(C(=O)C2C(=O)CC(C)CC2=O)c(C)c2c1S(=O)(=O)CCc1cn(C)nc1-2 101201636 LRPUYWBKBVKUHM-UHFFFAOYSA-N 428.510 2.401 0 1 IEAF Cn1cnc2cc(-c3ccc(OC[C@H]4CCCO4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O 115619578 UROUUGDZYNYNFT-QFBILLFUSA-N 436.512 2.372 0 1 IEAF CS(=O)(=O)C1(c2nc(-c3ccc(F)c4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1 218253226 RVIXVVFPDQOMBH-LBPRGKRZSA-N 444.488 2.395 0 1 IEAF CCN(CCO)c1ncc(F)c(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1 261084876 CILLXEZZPLPMMX-HNAYVOBHSA-N 431.512 2.289 0 1 IEAF COc1cc(OC)c(C(=O)Nc2c[nH]nc2C(=O)N[C@H]2CC[C@H](OC)CC2)c(OC)c1 299820734 IJYCUHJDYAFEOT-JOCQHMNTSA-N 432.477 2.375 0 1 IEAF CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)c1nc2c(O)nc(N)nc2[nH]1 587141892 YPWCGNYJDXFZEM-LLVKDONJSA-N 428.877 2.499 0 1 IEAF COC(=O)C1=C(CN2CC[C@@H](O)C2)NC(c2nccs2)=N[C@]1(C)c1ccc(F)cc1 1857591345 XFFIFRFGQKYAMX-QVKFZJNVSA-N 430.505 2.041 0 1 IEAF CCO[P@@](=O)(CCCNC(=S)SC[C@H](NC(C)=O)C(=O)O)c1ccccc1 1857769266 MMFIZIBJJQLMCE-MQNRADLISA-N 432.504 2.214 0 1 IEAF CC1(C)C(=O)C[C@H]2O[C@@H]3[C@]4(O)[C@@]5(CC[C@@H]1[C@]24C)C[C@]1(C)C=C2C(=O)OC[C@@]25[C@@]3(C)C1=O 2356840202 MOOWJEGUHAWQEU-PAPVVSEQSA-N 426.509 2.369 0 1 IEAF CC[C@@H]1CCCCN1CCCNC(=O)C1CCN(S(=O)(=O)N2CCCCC2)CC1 4100990 VOQRFPXKDUHHOT-HXUWFJFHSA-N 428.643 2.200 0 3 IEAF N=C(N)c1cccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC2CCC(CN)CC2)c1 27763724 MQUBTFOGHAXXQG-AJTFCVKESA-N 435.572 2.193 0 1 IEAF CCOC(=O)[C@H]1[C@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 95784716 JTANUYXDYRTBMY-XMLSHEPFSA-N 446.503 2.217 0 1 IEAF CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@@H](CO)c1c2c2ccc(OC)cc2n1C 95868638 CHZAQMAYGJVYOC-SFHVURJKSA-N 428.533 2.146 0 1 IEAF CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 169297389 MTXGZVVJWPJPOQ-YKUDZUIHSA-N 443.588 2.443 0 1 IEAF CCOc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN([C@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 195427944 VOLZOCOQWAJOAR-FWXJUILDSA-N 428.485 2.003 0 1 IEAF CN(C[C@@H]1NC(=O)[C@H]2SCC[C@@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 618014239 KDSNSFMOIDUHQD-JBACZVJFSA-N 433.537 2.288 0 1 IEAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@@]4(C)C(=O)[C@@](C)(C[C@H]12)[C@@]1(COC(=O)[C@@H]1[C@H]4O)O3 2356717412 QXZNFWAPDOLGEF-HMCXTWDVSA-N 444.524 2.341 0 1 IEAF CC(=O)N[C@@H](C(=O)N1CCC[C@H]1[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O)C(C)C 14976244 SEUJXYJXXTVJLF-GUDVDZBRSA-N 438.461 2.310 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N3C[C@@H](C)C[C@H](C)C3)C(C)C)ccc21 20232051 STZLXRVNZOPCJE-QYWGDWMGSA-N 435.590 2.403 0 1 IEAF N[C@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1)Cc1ccccc1F 28379127 NQCPHLGHRPZTLE-ICSRJNTNSA-N 427.476 2.091 0 1 IEAF O=C1C[C@]2(CCCc3ccccc32)C(=O)N1CCCCN1CCN(c2ncccn2)CC1 29245395 QRCTZUFFXMTQDP-VWLOTQADSA-N 433.556 2.412 0 1 IEAF O=c1ccn([C@H]2CC[C@@H](CO[P@](=O)(Oc3ccncc3)Oc3cccnc3)O2)c(=O)[nH]1 43066952 OZUWZOYIAZVIKB-KGGRTRCXSA-N 446.356 2.287 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@H](C(=O)N3CCCNCC3)C(C)C)cs2)c1 82082345 SRSOPSSIIVVZME-IBGZPJMESA-N 446.573 2.404 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccc(F)c2)[C@@H](C(=O)NCC)[C@@H]1CO 100139511 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NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc([C@@H](O)CO)s1 1857607425 MHTLFAPXOJXGHR-KGLIPLIRSA-N 441.435 2.008 0 1 IEAF Cc1cc(F)cnc1C(=O)Nc1ccc(F)c([C@]23CCC[C@H]2S(=O)(=O)N(C)C(=N)N3)c1 1857751494 WJPNPTZJGPWLCP-OXQOHEQNSA-N 449.483 2.468 0 1 IEAF CN(CCc1ccccn1)C[C@H]1CN2CC[C@H]1C[C@H]2CNC(=O)c1ccc2c(c1)OCO2 2356770127 XSLSEEVMBXMPDM-VCOUNFBDSA-N 436.556 2.425 0 1 IEAF CCNC(=O)N1CCN(c2ccc(N3CCN(C(=O)NCC)[C@@H](C)C3)c(C)c2)[C@@H](C)C1 199271650 ASBIBMMLIRCATQ-OALUTQOASA-N 430.597 2.475 0 3 IEAF O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CCN(C(=O)[C@H]3CCCN3)C[C@@H]12 4236058 XMWGQICRJTXCNR-UXHICEINSA-N 438.915 2.364 0 1 IEAF biogenic COCCN(CCOC)c1nc(C)nc2c1nnn2-c1c(Cl)cc(OC)cc1OC 13794942 CLBGGEQGXMAFCN-UHFFFAOYSA-N 436.900 2.289 0 1 IEAF COc1cc([C@@H]2Oc3c(OC)cc(CCCOS(=O)(=O)O)cc3[C@@H]2CO)ccc1O 15169041 KXNUUGLBJAAEGW-KXBFYZLASA-N 440.470 2.371 0 1 IEAF biogenic COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N[C@@H]3C2=O)CC1 40429156 MXCBBGOZSWZFBD-VXKWHMMOSA-N 435.528 2.295 0 1 IEAF CC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3cnc(-c4nncs4)nc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 64559825 VMBBVZIQQGSIKZ-SFFUCWETSA-N 448.932 2.172 0 1 IEAF O=C(NCCCN1CCOCC1)[C@H]1CN(S(=O)(=O)c2ccccc2)CC12CCCCC2 65259692 JFFXNJFZDPNWNR-OAQYLSRUSA-N 449.617 2.096 0 1 IEAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C 95690476 ZSTCKDKDRWVGTF-LLGFUMIMSA-N 435.565 2.488 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886253 AMOSMMFFMRAXPR-YDZRNGNQSA-N 439.940 2.398 0 1 IEAF Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@H](NC(=O)C2CCCCC2)[C@H](CO)O1 95905521 DDRMKOIBSRTVIH-UFYCRDLUSA-N 438.590 2.268 0 1 IEAF COc1ccc(-c2nc(-c3ccc4c(c3)CCN4CC(N)(CO)CO)no2)cc1Cl 114101266 OMDMUSJBJIUGHX-UHFFFAOYSA-N 430.892 2.110 0 1 IEAF COCCN(C)c1cc(C(=O)O)nc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc12 143023461 JQEXFNPFXYKLGO-UHFFFAOYSA-N 439.472 2.015 0 1 IEAF CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 169299093 HHEXKUYCUJXZBF-DPISBPNESA-N 437.533 2.272 0 1 IEAF CCOC(=O)N1CCC(N2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 169310438 SZDWVAVBKCXDIT-UECWXEIQSA-N 439.512 2.336 0 1 IEAF COC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 95892187 CXAVERPQLGMZKL-UCLAIMLFSA-N 443.456 2.179 0 3 IEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1 13807803 CEZUBTIRYSPQFO-HZPDHXFCSA-N 433.896 2.211 0 1 IEAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H](Cc2ccc(Cl)cc2)CN1 28894251 DEUXQEPGDAOCFW-ZDUSSCGKSA-N 427.309 2.499 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cccc2ccc(C)nc12)C(C)C 64653765 WBBFOBIZJXHHPQ-VDGAXYAQSA-N 439.560 2.221 0 1 IEAF CCN(CC)c1ccc2cc(-c3nc4sc(S(N)(=O)=O)nn4c3N=O)c(=O)oc2c1 103179163 OKGLRSXRQDBKEL-UHFFFAOYSA-N 448.486 2.456 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@@H](CO)C4)ncc3F)C2)cc1 261192992 ZVYNLOYJQSHMOT-XAUMDUMWSA-N 443.523 2.289 0 1 IEAF COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1[C@@H](COc1cc(F)cc(F)c1)N=O 587945385 NZWHPVNKVKRHBU-AWEZNQCLSA-N 428.344 2.382 0 1 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccc(-n3oo3)cc1)C=C1C(=O)OC[C@@]12O 2356715778 QZSVUQMGYQDDIX-FXJJGOGXSA-N 431.441 2.222 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)N3C[C@@H](C)C[C@@H](C)C3)C(C)C)ccc21 20232046 STZLXRVNZOPCJE-MRUHUIDDSA-N 435.590 2.403 0 1 IEAF COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 34630851 DOMYQNDGOGEIPJ-LVCYWYKZSA-N 435.480 2.171 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3ccnc3)ncc(F)c12 34820945 NRTHYOYLKISKON-UHFFFAOYSA-N 446.442 2.055 0 1 IEAF C[C@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 40403054 HPMLNBIUWWBSTD-DBWBHBQZSA-N 438.572 2.220 0 1 IEAF CCCCCOc1c(OC)ccc2cc(C(=O)NCCN3CCOCC3)c(=O)n(C)c12 72180352 LUVUCWNTDYQNSF-UHFFFAOYSA-N 431.533 2.178 0 1 IEAF CCCC[C@@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235435 BJYZHKJVPLKMPM-XMSQKQJNSA-N 444.576 2.114 0 1 IEAF Nc1nc(Cl)c(-c2nc3ccc(Cl)cc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1 84633042 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C[C@@H](n1cnc2cc(N)c(F)cc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29545237 CZYUYVFMDOGOIE-BIBXISHDSA-N 430.390 2.137 0 1 IEAF NC(=O)[C@@H]1CCCN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccco3)n2)C1 82142560 WXDRXARTWZCKIF-OAHLLOKOSA-N 449.467 2.097 0 1 IEAF O=C(CCC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1)NCCN1CCOCC1 84742436 FDFBDSPDVOWQMU-UHFFFAOYSA-N 446.451 2.362 0 1 IEAF COc1cc2c(c(OC)c1OC)[S@](C)(=O)=NC(N1CCN(C(=O)c3ccco3)CC1)=N2 101821933 RGFGVTBWXOZOTC-HKBQPEDESA-N 448.501 2.221 0 1 IEAF C[C@@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 169348898 UNOQZKVEUMPMMM-YMTYPPQLSA-N 440.529 2.012 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc(CN3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc1)[C@H]1C=C[C@H]2C1 169364586 UUOMSRLCASBMJS-BPNMPVEJSA-N 428.488 2.301 0 1 IEAF CCc1cc(=O)nc(CN2CC[C@@H](N3CCC(C(=O)c4ccc(OC)cc4)CC3)C2=O)[nH]1 207770391 DEGIMKQHUITSSN-HXUWFJFHSA-N 438.528 2.037 0 1 IEAF COc1cc(OC)c2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2c1 587180256 FYWVJSZUMGXTRX-UHFFFAOYSA-N 428.186 2.283 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@@]1(C(=O)OC)[C@@H](OC(C)=O)[C@@]4(C[C@@H]21)c1ccccc1N(C(C)=O)[C@@H]34 2356423541 DCBUJUCXJASOBN-FMJPLOLTSA-N 436.508 2.187 0 1 IEAF CC(=O)N(C)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CN1CCN(c2ccccc2)CC1 13746554 CZVUUZSFHSVFQZ-JOCHJYFZSA-N 447.583 2.496 0 1 IEAF CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@H]2CCCO2)CC(C)(C)O3)CC1 22027551 PROIXAIIJMUUGO-IRLDBZIGSA-N 444.620 2.425 0 1 IEAF O=C1Nc2ccc(S(=O)(=O)NCCCCCCOP(=O)(O)O)c3cccc1c23 49113335 YCOUCZQWAPPHCR-UHFFFAOYSA-N 428.403 2.354 0 1 IEAF O=c1cc(-c2ccc(OCCO[N+](=O)[O-])cc2)oc2cc(OCCO[N+](=O)[O-])cc(O)c12 103259847 JBUMYGPBHMNLCR-UHFFFAOYSA-N 448.340 2.340 0 1 IEAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CC[C@@H](O)C2)C1 144806493 YTXXGMPZAVDWEG-QRQCRPRQSA-N 446.425 2.130 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@H]([C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@@H]31 195180602 OLRJWQJNJDEKHM-NQDKFLQJSA-N 443.979 2.309 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 195412867 UUOMSRLCASBMJS-SGIOEENZSA-N 428.488 2.301 0 1 IEAF COC(=O)C1=Cc2cc(OC)c(O)c(OC)c2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@@H]1CO 2356432547 FEBCHZLGVMTRAM-KDOFPFPSSA-N 446.452 2.443 0 1 IEAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)C(=O)N4)C[C@@H]2C)cc1 15941990 PYIDKOQMTVHMHX-JKSUJKDBSA-N 442.541 2.421 0 3 IEAF CC/C(=C(/CC)c1ccc(O[C@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc1)c1ccc(O)cc1 33753595 LJMPVHCKUXKZAV-VZVLDYGMSA-N 444.480 2.394 0 1 IEAF CCC[C@H]1C(=O)N([C@@H](CCC(=O)OC)Sc2ccc(OC)cc2)S(=O)(=O)N1C 40875997 MVPOBHQSLZOJDK-JKSUJKDBSA-N 430.548 2.254 0 1 IEAF O=C(CCn1ccnc1)NCCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1 64573743 OBXRMMMWNHSKGA-UHFFFAOYSA-N 437.525 2.435 0 1 IEAF COc1c(N2CCN(CC(C)=O)[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72113782 WOTWYVOMNZFFAP-LBPRGKRZSA-N 431.464 2.282 0 1 IEAF O=C(NCc1ccc(C(=O)N2CCCNCC2)cc1)c1coc(-c2ccc3c(c2)OCO3)n1 82081791 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CC[C@H](C)C(=O)OCC1=C2[C@H](C(CO)=C[C@H]2OC)[C@H](OC(=O)[C@H](C)CC)O[C@H]1OC 2356782486 FJKBHFZRINVAKA-NKXGESQTSA-N 426.506 2.354 0 1 IEAF COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O 786155 BNQCACLDAKCEET-DZFGPLHGSA-N 432.561 2.301 0 1 IEAF C[C@H](NC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H]2c3ccccc3C(=O)N12)C(=O)NC1CC1 16033119 VMPZSFLGZUGSIO-VYALMSHHSA-N 428.492 2.421 0 1 IEAF biogenic CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@H]1C 95692961 JSRBXIHVEPNVJQ-LAPQFRIASA-N 430.505 2.329 0 1 IEAF CO[C@H]1C[C@]2(CC[C@]3(O2)[C@@]2(C)CCC[C@]4(C)C(=O)O[C@H](C(=O)[C@]3(C)OC(C)=O)[C@@H]42)CO1 95912785 CHGSKJMRTUWQRQ-JTAQILMUSA-N 436.501 2.310 0 1 IEAF biogenic,in-vitro COC(=O)N(C)C[C@@H](O)CN1CCC(CNC(=O)c2cccc3[nH]c(C(C)C)nc23)CC1 96272866 HKJSZEAARPYKSF-QGZVFWFLSA-N 445.564 2.187 0 1 IEAF Cc1nn(CC(=O)NCCCN(C)C)c2nc3ccccc3c(NCCCN(C)C)c12 169329045 JHDAZUKYNHJXIT-UHFFFAOYSA-N 425.581 2.324 0 1 IEAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N([C@@H](C)CO)C1=O 169700479 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AZDQZPZMIFRDND-PBEJRMEISA-N 448.560 2.381 0 1 IEAF O=C1C[C@](O)(C(F)(F)F)C2=C(C3CCN(c4ccc(C(F)(F)F)nc4)CC3)NNC2=N1 210622510 RPURTRZOJJQURL-MRXNPFEDSA-N 449.355 2.301 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3cccc(-n4nccn4)c3)cc2Cl)CS1(=O)=O 219601097 VWLGSYUFDHSAIO-KRWDZBQOSA-N 436.950 2.454 0 1 IEAF CCN1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@H]12 254114852 KIWMQFVGCTUQCE-HJUFLUFFSA-N 442.512 2.356 0 1 IEAF CC(C)[C@@H](NC(=O)NC[C@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 299820514 HMBHNHFKXQNPGY-REDKUUPNSA-N 439.984 2.491 0 1 IEAF O=S(=O)(Cc1nc2ccc(-n3cnnn3)cc2[nH]1)Nc1ccc(N2CCCCC2)cc1 586950974 OXXNSOFCHCJGLH-UHFFFAOYSA-N 438.517 2.471 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3[C@H]4F)nc(N3CC4CC3C4)n2)cc1OC(F)F 653678242 CGJLGCJLWGJKLI-ACJVMJCQSA-N 434.422 2.246 0 1 IEAF N=C(N)NCOc1ccc(CC[C@@H](CC=C[C@@H](O)c2ccc(O)cc2)S(=O)(=O)O)cc1 2356835490 KSGQAIBVAAPEPI-WOJBJXKFSA-N 449.529 2.080 0 1 IEAF O=C(c1nc[nH]c1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 36388084 NCCLQIWARRYBQS-UHFFFAOYSA-N 444.539 2.335 0 3 IEAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](N)C2)cc1Cl)C(F)(F)F 13808747 DMOZBAPKYVVXQZ-IQMDTDKHSA-N 443.875 2.140 0 1 IEAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](CO)CCC(=O)OC)n1 28461011 AZZKFEAZUOXMRO-INIZCTEOSA-N 444.484 2.175 0 1 IEAF O[C@@](CN1CCN(Cc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F 40564102 KRTHZMVDYCGDBQ-QFIPXVFZSA-N 431.462 2.401 0 1 IEAF CN(C)C(=O)c1ccc(N2CCCN(c3ccnc4sc(C(N)=O)c(N)c34)CC2)cc1 95605055 CYLDJPVEBVIXNB-UHFFFAOYSA-N 438.557 2.396 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@@H](C)NC[C@@H]1C 95687926 GVLIXQUDBLNXDD-MNVSYLFESA-N 430.505 2.329 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cccc(NC(=O)c3ccncc3)c2O[C@@H]1CN(C)C 95846738 PPTOEGBKCBKFEQ-TWOQFEAHSA-N 426.517 2.116 0 1 IEAF CCC(=O)N1[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N(C)C)[C@@H]2CO 95880202 HMJCVLNZUQFBLU-OIJDAMHWSA-N 435.524 2.007 0 1 IEAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F 95899666 JJTXKXWGELMLKZ-VGDUNAEUSA-N 442.434 2.488 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 238750555 JEKCMGKEQFMXCT-UZZNCIHVSA-N 442.512 2.214 0 1 IEAF CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@]2(O)C(C)(C)CCC(=O)[C@]2(C)[C@@H]2Cc3occc3[C@](C)(O)[C@@H]12 238758866 MESLDFVKOWKXTR-UAODPEGRSA-N 448.512 2.279 0 1 IEAF CCNC[C@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@@H](O)[C@H](C)N2)CC1)CC(=O)O 2356292650 ISDQYHQHQRYBLE-YXYJYCKRSA-N 442.641 2.278 0 1 IEAF COc1ccccc1C(=O)N1CCN2[C@H](C1)CN(S(=O)(=O)c1ccccc1)CC2(C)C 2356303013 JSHNXKFGIQWNLU-GOSISDBHSA-N 443.569 2.305 0 1 IEAF COc1ccc(CC(=O)O[C@@H]2CC(C)=C3C(=O)C=C(CO)[C@@H]3[C@@H]3OC(=O)[C@@H](C)[C@@H]32)cc1 13338655 ODEQFXNTANCTMD-PJSLSNPZSA-N 426.465 2.165 0 1 IEAF biogenic O=C1Nc2ccccc2C(=O)n2cc(c3ccccc32)C[C@@H]([N+](=O)[O-])C(=O)N2CCC[C@H]12 14682436 YQOXDTHSLKEXLH-WOJBJXKFSA-N 432.436 2.461 0 1 IEAF biogenic COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCN(C(=O)[C@@H](C)O)C[C@@H]1C(=O)N2 25209507 OXVSMZBFUPNQAH-KZULUSFZSA-N 443.887 2.002 0 1 IEAF biogenic Cc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OS(N)(=O)=O)CC[C@@H]12 28711072 RDLLNEOJQSCTJC-NNYOOSKESA-N 444.575 2.022 0 1 IEAF C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)OC(C)(C)C 95558118 OWDSSINHZRXMBO-SFHVURJKSA-N 447.532 2.212 0 1 IEAF CCCN1[C@H](C(=O)NC2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 95797287 CGQHFIUMFTVCDC-RLBLXZPPSA-N 436.556 2.343 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2Cc1ccncc1 95881060 WIJUOLDRGUOJSV-LGKPFJOYSA-N 449.482 2.386 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 100678961 VUPXZFYWVQJPTN-LDJCDLSFSA-N 441.963 2.085 0 1 IEAF CN([C@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1)S(C)(=O)=O 139818865 DQAOPQBIBBKTDL-SFHVURJKSA-N 438.557 2.099 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 195210708 JEKCMGKEQFMXCT-PCYHMHGQSA-N 442.512 2.214 0 1 IEAF CO[C@H]1CN(Cc2ccc(F)cc2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205458591 FTTKKIPKPPYNRE-HKUYNNGSSA-N 427.480 2.065 0 1 IEAF CC(=O)OC[C@H]1O[C@@H](O[C@@]2(C)/C=C/[C@H](C(C)C)CC/C(C)=C/CC2)[C@H](O)[C@@H](O)[C@@H]1O 238769847 MQIPEAYACPPTOK-CFMXMGDUSA-N 426.550 2.481 0 1 IEAF O=C1c2ccccc2S(=O)(=O)N1CCN1CCC[C@H](NCc2cc(F)cc(F)c2)C1 1772653124 DTPDMOWBPFKWNV-SFHVURJKSA-N 435.496 2.364 0 1 IEAF CC(=O)O[C@@H]1C[C@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@]2(C)[C@@H](O)CC(=O)OC(C)(C)[C@@H]12 2356322904 DCBOVTYJTWXJGH-SCSZDSHRSA-N 434.485 2.302 0 1 IEAF CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 248012557 RPHPHNVVDAHDDN-NMFSUFKKSA-N 429.561 2.053 0 3 IEAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO 4152161 YTBROZDMLHXSSK-UYAOXDASSA-N 444.484 2.311 0 1 IEAF COCCOc1nc(N2CCCCC2)c2nc(OCCOC)nc(N3CCCCC3)c2n1 13583351 PCMFSEDQAIFBEV-UHFFFAOYSA-N 446.552 2.451 0 1 IEAF Cc1ccc2c(c1)Sc1cc(C)ccc1OCC(=O)NCCNCCNC(=O)CO2 28647240 FTZRMDGMBXKYFO-UHFFFAOYSA-N 429.542 2.048 0 1 IEAF CC[C@H](COC)Nc1nc(NCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 82118754 VNAWKDMOKGCWDX-CQSZACIVSA-N 435.525 2.049 0 1 IEAF CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(C[C@@H]2OCOC2(C)C)nn1 84739710 CUXQIJKULUWTHG-LNLFQRSKSA-N 446.529 2.249 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(Cc1ccccc1)CC31CN(S(C)(=O)=O)C1 95663078 URWQCFLRDYQREU-FQEVSTJZSA-N 441.553 2.239 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(CC1CC1)CC31CN(C(=O)C2CCOCC2)C1 95666266 NKRTXQOPIXWTKG-NRFANRHFSA-N 439.556 2.442 0 1 IEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N3C(=O)CN(S(=O)(=O)c4cccc(F)c4)C[C@H]23)cc1 95866933 SULNXHFLFQMGME-WAVJAZCNSA-N 430.501 2.219 0 1 IEAF O=C1c2[nH]nc(NS(=O)(=O)c3cccc4ccccc34)c2CCN1CC1CCNCC1 96916168 GBWJFJQNRDZCRT-UHFFFAOYSA-N 439.541 2.362 0 1 IEAF CN1CCC[C@H](c2ccccc2OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 218918696 XLTVCBJHAJFECK-GOTSBHOMSA-N 437.584 2.410 0 1 IEAF O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4cccc(Cl)c4F)C3=O)ccc2N1 221292051 XCZMADNFSHXZKG-NRFANRHFSA-N 431.851 2.148 0 1 IEAF 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CCCOC(=O)c1ccccc1OS(=O)(=O)NC(=O)Nc1nc(Cl)cc(OC)n1 1857582864 WKGISRZVAFNBEB-UHFFFAOYSA-N 444.853 2.151 0 1 IEAF CN1c2ccc(C(=O)N3CCc4nc(-c5ccccc5)nc(O)c4C3)cc2CS1(=O)=O 1857620413 SIFOJXGOKNYARJ-UHFFFAOYSA-N 436.493 2.327 0 1 IEAF CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cnccc21 1911577382 HPUMCVZMWTYLTM-UHFFFAOYSA-N 425.514 2.366 0 1 IEAF O=C(NCCCN1CCCCCC1)[C@H]1[C@@H]2C=C[C@@]3(CN(Cc4cccs4)C(=O)[C@@H]13)O2 4576187 LRCKQZRNLPYPKT-GJPOJAMWSA-N 429.586 2.412 0 1 IEAF COc1ccccc1N1CCN(CC(=O)c2c(-c3ccccc3)nn(C)c(=O)c2N)CC1 13558475 XVVDZEDAQUMXJL-UHFFFAOYSA-N 433.512 2.043 0 1 IEAF CCCCNS(=O)(=O)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)CCC(C)C 26659368 UYOSYPDOUYWOBG-IRFCIJBXSA-N 434.643 2.319 0 1 IEAF CCOC(=O)[C@@H](C)Sc1nnc(Cn2nnn(-c3ccc(Cl)cc3)c2=O)s1 28647652 VVMQYWYNQBYIJK-SECBINFHSA-N 426.911 2.026 0 1 IEAF C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O 95702136 HGRXOVGPYAFSIY-MOLFVJAXSA-N 436.574 2.357 0 1 IEAF COC(=O)[C@@H](C)N[P@@](=O)(OC/C=C/Cn1cnc2c(N)ncnc21)Oc1ccccc1 101237471 XZMWWDJOKLNHNR-VWFDVLNASA-N 446.404 2.320 0 1 IEAF O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CCCCN1C(=O)N1CCS(=O)(=O)CC1 220104286 WDOIRXCSWMTZHK-KRWDZBQOSA-N 448.570 2.454 0 1 IEAF CN1CCN(c2ccc(-c3cc(=O)c4c(O)cc(O)c(O[C@H]5CCNC5)c4o3)cc2)CC1 1857556695 IBJGAKSLHJASBJ-KRWDZBQOSA-N 437.496 2.364 0 1 IEAF C=CC=CCC(=O)O[C@@H]1C(CO)=C[C@H]2C(=O)[C@@]3(C=C(C)[C@H](O)[C@]13O)[C@H](C)C[C@H]1[C@H]2C1(C)C 2356721328 AWRJTPFCJAMATC-NEYNUIBCSA-N 442.552 2.498 0 1 IEAF O=C1NC[C@H](CCC(=O)N2CCc3ccccc32)N2C[C@@H](NCc3ccc(F)cc3)C[C@@H]12 2356851936 QLGBNWNTSRZVPU-FUDKSRODSA-N 436.531 2.226 0 1 IEAF O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NCCN3CCCC3)c21 2459318 XYFAUIXSENLJGZ-UHFFFAOYSA-N 442.379 2.122 0 1 IEAF CCOc1ccc(NC(=O)[C@H]2[C@@H]3C(=O)N([C@H](C(=O)OC)C(C)C)C[C@]34C=C[C@H]2O4)cc1 13132082 VOLZOCOQWAJOAR-YHSXXIMFSA-N 428.485 2.003 0 1 IEAF CC(C)(NC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)N[C@@H](CC(=O)O)c1ccccc1 13776100 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CN[C@H]1Cc2ccc(OCCNS(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1 114197190 ASMWJUHBWHAICQ-VXKWHMMOSA-N 440.569 2.248 0 1 IEAF Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc(C(=O)CO)cn3)[C@H](C)C2)c1C 117274224 QVASOWTYSOFYRT-MRXNPFEDSA-N 432.528 2.364 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@@H](CO)C3)c2c1=O 143354398 HKSFYAVQSYARIU-SJLPKXTDSA-N 435.528 2.405 0 1 IEAF CC(=O)N1CCN(C(=O)c2c(-c3ccc4[nH]ncc4c3)nnn2Cc2ccccc2)CC1 147968787 RAIHJSVAUMWPIV-UHFFFAOYSA-N 429.484 2.174 0 1 IEAF Nc1nc(O)c2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2n1 587108731 QKPNGUDHDPGROR-SECBINFHSA-N 428.396 2.185 0 1 IEAF CN1CCN(c2ccc3nc(C[C@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)CC1 587207098 QSPITAWQHCJNHZ-FQEVSTJZSA-N 437.500 2.237 0 1 IEAF Cc1c(C(=O)N2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)cnn1-c1nc(O)c2c(n1)CCC2 1857598835 SGEICJVOGBDTKF-CQSZACIVSA-N 442.520 2.246 0 1 IEAF CC(=O)N1CCC(NC[C@@H]2O[C@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@@H]2O)CC1 2356287026 BWHWAHWCJRIRND-FUDKSRODSA-N 429.517 2.099 0 1 IEAF Cc1cc(=O)n2nc(N3CCC[C@H](C(=O)NCCCN4C[C@H](C)C[C@@H](C)C4)C3)sc2n1 251018121 JOCSURVIEWAIJI-NUJGCVRESA-N 446.621 2.160 0 3 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3nc[nH]n3)ccc(F)c12 3640138 UUMXJGKYKDQJGY-UHFFFAOYSA-N 446.442 2.259 0 1 IEAF COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCC[C@@H]2C)C(=O)O)cc1 13704642 JVMSOORAPUAHHJ-YOEHRIQHSA-N 428.489 2.036 0 1 IEAF CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819156 QLHHECDAKBHQND-PNLZDCPESA-N 448.903 2.153 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC 17249924 YHXBZXBIGHSHTP-WOIUINJBSA-N 430.409 2.481 0 1 IEAF CCNC[C@@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CNC)CC(=O)O 85488264 AQOOPQXHROGANV-QBRBXANFSA-N 429.646 2.260 0 1 IEAF biogenic,in-vitro O=C(O)Cn1nnc(-c2cc(N3CCC4(CC3)CC(=O)c3c(Cl)cccc3O4)no2)n1 143382197 FMUOWTCJDBKUJN-UHFFFAOYSA-N 444.835 2.071 0 1 IEAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)S[C@H](CC(=O)O)C(=O)O 209923505 MFFDPIJWPIGJHU-ZUZCIYMTSA-N 448.453 2.149 0 1 IEAF COc1ccc(C(=O)NC[C@@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)cc1 2356620123 FZJQJGDFPJJKAO-YRWFTTLQSA-N 440.418 2.420 0 1 IEAF CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@H]4C2=O)CC1 250469476 IGXFJCQPBHLTNL-CROMWVBPSA-N 443.475 2.167 0 3 IEAF CCc1cnc2c(c1SCC(=O)NCc1ccccc1Cl)c(=O)n(C)c(=O)n2C 8601932 XMPXHZKKNMZJMS-UHFFFAOYSA-N 432.933 2.257 0 1 IEAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCN(C(=O)[C@H](C)O)C[C@@H]1C(=O)N2 25209511 OXVSMZBFUPNQAH-KPZWWZAWSA-N 443.887 2.002 0 1 IEAF biogenic C[C@@H](Cc1coc2nc(N)cc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 29567456 RZADSRPQWMYEEU-MEDUHNTESA-N 440.456 2.386 0 1 IEAF C[C@H](NC(=O)C[C@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 95675116 KEJHSICNFQEVJK-DZLUEKEQSA-N 448.516 2.056 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@H]1C 95688290 MUAQGGJYISSHLV-WHSLLNHNSA-N 433.549 2.145 0 1 IEAF Cc1ccc([C@@H]2N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)c(N)n1 963706557 VOIKLIPUQDLJBQ-FDFHNCONSA-N 446.507 2.094 0 1 IEAF Cc1cccnc1NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1 6577748 ALSDGUZYQVIOGG-UHFFFAOYSA-N 428.514 2.314 0 3 IEAF CC(=O)N1CCC2(CC1)C[C@H](N(C[C@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 768071 LVZCVYKWYSDXDJ-QUCCMNQESA-N 429.517 2.018 0 1 IEAF O=CN(O)[C@H](CO)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1 13471939 VWWHTVYUWIWLPA-GFCCVEGCSA-N 435.376 2.360 0 1 IEAF CO[C@H]1O[C@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C 14637929 LERLQQKAXDNEKW-MWRLGJARSA-N 426.506 2.354 0 1 IEAF biogenic,in-vitro COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1Cc1cccnc1 95880053 QFMVGLMOOVBKFV-PJIZGREPSA-N 449.482 2.386 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)c1N1CC[C@H](CN)C1 145143879 AUSOZFFBBXRILI-SNVBAGLBSA-N 433.488 2.441 0 1 IEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(Br)c[nH]c-3n2)cc1 586947353 WQKMTZUVSYTUSV-NSHDSACASA-N 438.307 2.191 0 1 IEAF NCc1ncc(S(=O)(=O)c2cc(C(=O)N3CC[C@H](O)C3)cc(-c3ccccc3)c2)s1 1857591146 SDNYQXCMAMFTGW-KRWDZBQOSA-N 443.550 2.308 0 1 IEAF N[C@H]1[C@@H]2CN(CCC(=O)Nc3sc4c(c3-c3nc5cnccc5s3)CCNC4)C[C@H]12 1857592657 SZDGERQLUGTXAZ-WURKVNMJSA-N 440.598 2.283 0 1 IEAF Cc1ccc(C(=O)Nc2ccc(F)c([C@]34CCC[C@H]3S(=O)(=O)N(C)C(=N)N4)c2)nc1 1857752769 PEGNNDOQUVAZJH-YLJYHZDGSA-N 431.493 2.329 0 1 IEAF O=C(CC[C@@H]1CNC(=O)[C@H]2C[C@H](NCc3ccc(F)cc3)CN12)NCc1cccs1 2356823861 GPPCNMJLVKZWOM-NLWGTHIKSA-N 430.549 2.015 0 1 IEAF CCOc1ccccc1C1=NO[C@@H](c2ccc(OC)c(OC)c2OC)[C@@H]1C(=O)NCCO 4152162 YTBROZDMLHXSSK-QUCCMNQESA-N 444.484 2.311 0 1 IEAF COc1cc([C@@H]2[C@H](O)N(C)C(=O)[C@@]23CCCN3)c(Br)cc1Br 13312491 ZNKJMNWJZBGNNZ-VNHYZAJKSA-N 434.128 2.216 0 1 IEAF biogenic O=C(O)c1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(c3ccc(F)cc3)CC2)no1 15672789 YASLAYGUSUZSLF-HOTGVXAUSA-N 430.480 2.019 0 1 IEAF biogenic CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF 28568211 UBPKJZUVHMCXAZ-ROUUACIJSA-N 437.512 2.219 0 1 IEAF CCCN(C)Cc1ccc(C(=O)N2CC[C@@H]3[C@H]2[C@@H](C(C)C)C(=O)N3S(C)(=O)=O)cc1 58498279 NELLEAIMLKACPD-AQNXPRMDSA-N 435.590 2.186 0 1 IEAF N[C@@H](CC(=O)N1CCS[C@H]1C(=O)NCc1ccoc1)Cc1cc(F)c(F)cc1F 66066301 WNARSKYZQJFIEA-YJYMSZOUSA-N 427.448 2.175 0 1 IEAF Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@H]2CCCCN2)c(F)c1 84654328 AATINBWSCNRUAW-SJLPKXTDSA-N 434.537 2.372 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95888025 OFOMNITYAMQOJA-ILZDJORESA-N 429.517 2.332 0 1 IEAF CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)OC(=O)[C@@H]3O[C@]321 169298216 CJABBYCIRXVXNT-AUYCMJLASA-N 432.469 2.044 0 1 IEAF CN(C)[C@H]1CCN(c2nc(=O)c(-c3ccc4ccccc4n3)c(N[C@@H]3CCCNC3)[nH]2)C1 220626016 LDLIMBSIGPDUHO-MSOLQXFVSA-N 433.560 2.289 0 1 IEAF COc1cc2nc(N3CC[C@@H](NC(=O)c4ccoc4)C3)nc(NC[C@@H](C)O)c2cc1OC 299879775 LFNQEFINWQXJRN-UKRRQHHQSA-N 441.488 2.041 0 1 IEAF CS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586946560 MBOKQXQNGIBBTG-CQSZACIVSA-N 435.527 2.091 0 1 IEAF COc1ccc2c(c1OC)[C@](C)(c1ccc(S(=O)(=O)CC(N)=O)cc1)N(C)[C@H](C)C2 962578138 XNRSYSCATVTXSZ-PEBXRYMYSA-N 432.542 2.103 0 1 IEAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cccc(F)c3F)C2=O)c2cc(Cl)ccc21 14976668 NVRJDPGUPURMJE-HXUWFJFHSA-N 434.782 2.246 0 1 IEAF CO[C@H]1O[C@@H]2C[C@]3(C)[C@@H](c4ccc(=O)oc4)CC[C@]3(O)[C@@H]3CC[C@]4(O)C[C@@H](O)CC[C@@]14[C@@H]23 36445321 QSSCMAMORZNLEN-OIVDWAMSSA-N 446.540 2.318 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 169294975 YGAKRXYRDKCSCD-NTLWEQJWSA-N 444.896 2.132 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ncccc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1 169699334 FBRWADQUEKENEQ-JQWIXIFHSA-N 448.503 2.178 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@H]3c4ccccc4N[C@H]3C2=O)CC1 195093899 GZRHSNKERQYZPU-URZJWIJPSA-N 435.528 2.293 0 1 IEAF COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(=O)O)CC3)c2=O)cn1 261099285 FYGAMXOBXPHZMN-SHTZXODSSA-N 439.472 2.338 0 1 IEAF Cc1ccc(Cn2cc(-c3ccc(CC[C@](N)(CO)COP(=O)(O)O)cc3)nn2)cc1 299836532 NIKGBPNJVINGRM-NRFANRHFSA-N 446.444 2.034 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CSc1nnc(O)nc1O 587869305 GDTKPMWSJHVYCW-UHFFFAOYSA-N 428.352 2.001 0 1 IEAF O=C1c2ccccc2S(=O)(=O)N1CCCCCCN1CCN(c2ncccn2)CC1 1857569575 OUHWYWVRNFHIJL-UHFFFAOYSA-N 429.546 2.004 0 1 IEAF CC(=O)c1c[nH]c(=N)nc1N1CC[C@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1 1857575627 WEHWXEIMYUDVOQ-INIZCTEOSA-N 435.875 2.495 0 1 IEAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCCCc2ccccc2)cc1 2356864750 VZCZFSJCMJYWTI-ODAXIHTASA-N 434.544 2.336 0 1 IEAF CCO[P@](=O)(O)N[C@H](C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC)[C@@H](C)CC 26643109 IHAZHCJWGLQJQS-VHSSKADRSA-N 438.465 2.082 0 1 IEAF in-vivo CNCCc1cn(C2=C(c3c[nH]c4ccc(C(N)=O)cc34)C(=O)NC2=O)c2ccccc12 29125496 HSRIOHWTLFJXCV-UHFFFAOYSA-N 427.464 2.008 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ncco3)ccnc12 34821154 AZECRFZJQUGVNH-UHFFFAOYSA-N 429.436 2.385 0 1 IEAF COCC(=O)Nc1ncncc1-c1noc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2)n1 35425601 CGKJEMSUYFGNOY-INIZCTEOSA-N 438.444 2.147 0 1 IEAF biogenic COc1ccc([C@@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNCC3)cc1 58538222 RVABLDVEIYLIRF-HXUWFJFHSA-N 425.485 2.392 0 1 IEAF CCN(CC)S(=O)(=O)CCNc1nc(N2CCN(C)CC2)nc2ccc(Cl)cc12 84382919 NXNNIXGPNTVJTE-UHFFFAOYSA-N 441.001 2.119 0 1 IEAF O=c1ccn(COCCCS(=O)(=O)C[C@H](c2ccccc2)c2cccc(F)c2)c(=O)[nH]1 96172735 BCRBLOFKAYPUHC-HXUWFJFHSA-N 446.500 2.287 0 1 IEAF CO[C@@H]1CCN2[C@H]1[C@@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]1[C@@H]2c1ccc(C(=N)N)cc1 96941597 GPGAPFXJBOTZDY-VIYGXFRKSA-N 436.487 2.055 0 1 IEAF Cc1cnc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)cn1 114181257 NOQFNXVALFHYDE-GJZGRUSLSA-N 438.536 2.100 0 1 IEAF CC1=CC=CC=C[C@H](C)CNC(=O)CC(=O)C[C@@H]2O[C@@H]3[C@H](O)C[C@H](O)[C@@H]4C=C[C@@H]1[C@H]2[C@H]34 2356409733 QPYKFWDFFXJDAQ-GVDLMRKTSA-N 427.541 2.088 0 1 IEAF CCN(CC)CCCNC(=O)c1oc2ccc(S(=O)(=O)N3CCOCC3)cc2c1C 2496999 RRLYPILJDLCWKR-UHFFFAOYSA-N 437.562 2.224 0 1 IEAF Cc1sc2nc(SCCCN3CCN(c4ccccn4)CC3)n(N)c(=O)c2c1C 59854288 HOABLJVFGVOCMM-UHFFFAOYSA-N 430.603 2.488 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4ccc(C(=O)O)cc4F)nc23)N1 117817782 ZUQHOELPQULHMB-NSIKDUERSA-N 437.391 2.065 0 1 IEAF C[C@H]1CN(Cc2ccc(N(C)C)nc2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205453160 DRHKCEUMFIJJEQ-YJBOKZPZSA-N 437.548 2.008 0 1 IEAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1CO2)C=C[C@](C)(CO)O4 238756409 QBJZTSJAVVTREE-UEVCKROQSA-N 426.421 2.084 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](c3cccc(F)c3)C2)nc1 1772606929 GWSDQYSUPSSZKT-LJQANCHMSA-N 432.521 2.139 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](c3ccc(F)s3)C2)cn1 1772629694 LSFCOUKXNFKYAL-OAHLLOKOSA-N 438.550 2.200 0 1 IEAF Cc1c(C(=O)N2Cc3cc(C(F)(F)F)cnc3C2)cnn1-c1nc(=O)c2cccn2[nH]1 1857607231 BOZPGHNLUFMXNW-UHFFFAOYSA-N 429.362 2.087 0 1 IEAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(C(=O)N3CCCCC3)c2)nc1O 1857756105 NHZKVRNZNLAZTI-AXPXABNXSA-N 447.539 2.192 0 1 IEAF CC(C)CO[C@@H]1NC(=O)[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 13486966 VGKJNJDNQCLECA-MZKRTTBSSA-N 439.512 2.137 0 1 IEAF CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1ncco1)n2CCC(N)=O 40936360 HNWOEIDVVRODCP-UHFFFAOYSA-N 432.440 2.429 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3ccncc3)ncnc12 95593794 UDOIOHXOBQDKCC-UHFFFAOYSA-N 440.463 2.187 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95795682 YTXOATAQUYUYJS-FUPPJEDESA-N 432.455 2.094 0 1 IEAF CS(=O)(=O)N1CCC(c2nccnc2OC2CN(c3ccc4ccccc4n3)C2)CC1 96168865 JNHYWXNUMAYNFQ-UHFFFAOYSA-N 439.541 2.431 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291564 JGPVDMQJJVPTJR-YZVOILCLSA-N 428.359 2.395 0 1 IEAF Cn1cnc(S(=O)(=O)N2C[C@H]3CC[C@@H](NC(=O)c4ccccc4C(F)(F)F)[C@@H]3C2)c1 169313629 HNZDIBUMTJVUGG-XNRPHZJLSA-N 442.463 2.268 0 1 IEAF C[C@@H]1CNCCN1c1c(NC(=O)c2nc(-c3c(F)cccc3F)sc2N)cnn1C 169699276 IUJPSUJCSMGKCV-SNVBAGLBSA-N 433.488 2.454 0 1 IEAF CNC(=O)c1cc(OC)cc(N(CCN)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 204159329 SAHTUCUOJHIHGN-UHFFFAOYSA-N 431.500 2.495 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cnc(Cl)[nH]c-3n2)C(C)C)cc1 586933758 XEYVYFUCLHATTJ-HNNXBMFYSA-N 436.925 2.270 0 1 IEAF COc1cc2c3c(c1)O[C@@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O 587450891 LQQIFSKZWWPWHG-TWWFPWMWSA-N 428.554 2.398 0 1 IEAF O=C1c2c(O)c(=O)ccn2N([C@H](c2ccccc2)c2ccc(F)c(F)c2)[C@@H]2COCCN12 1911575313 QGJKYYMJOKSGBH-WOJBJXKFSA-N 439.418 2.372 0 1 IEAF COC[C@@H]1CCCN1C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccc(Cl)cc1 2356286106 RAKWTAFPSLOAQY-HNJRGHQBSA-N 442.025 2.440 0 1 IEAF COc1cccc([C@@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1 15936541 FAXHCUHRNHNNOJ-FZKQIMNGSA-N 448.497 2.323 0 3 IEAF COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC 13461610 XQWLRAUXZRVNAY-STXHMFSFSA-N 446.452 2.363 0 1 IEAF biogenic CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2[nH]c4ccc(NC(=N)N)cc4c2C[C@@]3(O)[C@H]1C5 13809245 YMNSASVAVCIKSU-DVNJHFJZSA-N 431.496 2.098 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@H]2SC1 40434230 DOFARGWBIZFTGU-ZRGWGRIASA-N 431.901 2.252 0 1 IEAF COc1cc2c(cc1OC)CN(Cc1coc(=O)c(CN3CCSCC3)c1O)CC2 79192933 IPJXUZIHAACGQU-UHFFFAOYSA-N 432.542 2.470 0 1 IEAF biogenic Cc1cc(Cc2ccc(F)c(C(=O)N3CCc4cccc5c4[C@H]3CNC5=O)c2)n[nH]c1=O 95585169 PXDXGLIHYJKJSB-HXUWFJFHSA-N 432.455 2.291 0 1 IEAF NCCOCCOCCOc1cccc(-c2nc(N=C(N)N)nc3ccc(Cl)cc23)c1 218739047 BBOWOWMPAQTKRD-UHFFFAOYSA-N 444.923 2.226 0 1 IEAF CC1=C(N2CCC3(CCN([C@H](CO)Cc4ccc5c(c4C)COC5=O)CC3)C2=O)COC1 221416424 WDIVWQJNSTZVSP-IBGZPJMESA-N 440.540 2.188 0 1 IEAF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4c[nH]c(=N)[nH]c-4n2)cn3C2CC2)CC1 587172630 IULSLEAFIMKGCQ-UHFFFAOYSA-N 448.506 2.315 0 1 IEAF Cn1ccc(-c2ccc(Cn3cc(C(=O)N[C@@H]4CCOC[C@H]4O)c4ncccc43)cc2)n1 1857641577 FQGJDGJXEZTKDW-IFMALSPDSA-N 431.496 2.365 0 1 IEAF CCNC[C@](O)(CCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@H](O)[C@H](C)N2)C[C@H]1O)CC(=O)O 2356291457 VEGIAGTUUGVGIJ-CUZUPZLSSA-N 428.614 2.031 0 1 IEAF O=C1CC[C@]23C=CC(=O)NCCCNCCCCNC(=O)C=Cc4ccc(c2c4)O[C@@H]3C1 2356454499 NSVPHQMOMALUHK-RDGATRHJSA-N 437.540 2.014 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 4380712 WPXZETWTKRTYHQ-NBHGPNQESA-N 442.512 2.001 0 1 IEAF CNC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)ccn1 28951841 FJYFVYKYNSQZCC-UHFFFAOYSA-N 444.398 2.361 0 1 IEAF CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2)n1)C(=O)NCCCN1CCN(C)CC1 82070097 HUFSGBDFCQOMSU-HXUWFJFHSA-N 443.617 2.318 0 1 IEAF CCC(CC)CNc1c2n(c(=O)n(CCN3CCOCC3)c1=O)[C@H](c1ccccc1)CN2 82209377 SPNINSJUSWOEME-FQEVSTJZSA-N 441.576 2.205 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@H]1C 95687925 GVLIXQUDBLNXDD-LAPQFRIASA-N 430.505 2.329 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]2N1CC 95865667 YYCGQFXWQYZKOB-KRXUUXHPSA-N 425.529 2.034 0 1 IEAF OCC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@]3(O)C(F)(F)F)cn1 116911182 ZRBSKAJTTXBPBY-HXUWFJFHSA-N 438.377 2.140 0 1 IEAF O=C(c1cc(=O)c2ccccc2o1)N1CCN(C(=O)c2cc(=O)c3ccccc3o2)CC1 169318382 AYMYNTKBRXNBJL-UHFFFAOYSA-N 430.416 2.498 0 1 IEAF CC(C)S(=O)(=O)c1n[nH]c2c1CN([C@H]1CO[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 653760713 RDGCBPAICNFQFK-PZPSRYQVSA-N 426.489 2.043 0 1 IEAF COc1nc(N)nc(N2CCCC2)c1[C@H]1c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962634264 IAVVTXHLQNWVRN-HOYKHHGWSA-N 448.527 2.404 0 1 IEAF CC(=O)[C@@H]1C(=O)N2CCc3cccc(c32)[C@@]12N[C@H](C(=O)O)Cc1c2cnc2ccccc12 963230263 XHVZAMKDWOJQBU-BKSPAHHJSA-N 427.460 2.185 0 1 IEAF COc1ccc(CN2CC[C@@H]3[C@H]2C(=O)NC[C@@H](CCC(=O)Nc2ccccc2)N3C)cc1 2356862213 UXWYYURZKMFVAK-BKULYWANSA-N 436.556 2.487 0 1 IEAF Cc1nn(C)cc1-c1nc(C(=O)Nc2cnn(C)c2[C@@H]2CC[C@@H](N)[C@H](F)CO2)cs1 216886883 VFLNYYBDXZZMRC-IOASZLSFSA-N 433.513 2.355 0 1 IEAF CNCCOC(=O)/C=C1\CC[C@@H]2[C@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 238778647 GIXHVOWBYFQWRP-CFZQKRDFSA-N 435.561 2.267 0 1 IEAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@@H](C2)[C@]1(O)Cc1cc(C(=O)O)c(O)nc1C3 473182552 JHPVROQMXGWJEB-FTBPSBKWSA-N 436.508 2.302 0 1 IEAF COc1cccc([C@@H]2NCCc3c2c(C(C)C)nn3C)c1OCC(=O)NC[C@H]1CCCO1 962921465 UANPQFQARMCUAQ-MWTRTKDXSA-N 442.560 2.461 0 1 IEAF CN1[C@H]2CCN(Cc3ccc(F)cc3)[C@H]2C(=O)NC[C@H]1CCC(=O)NCc1cccs1 2356823117 GJCYNXIAYRTKOS-KAGYGMCKSA-N 444.576 2.357 0 1 IEAF O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1CCc2ccccc21 8680566 XTYGCXBGTXKREP-UHFFFAOYSA-N 441.509 2.358 0 3 IEAF aggregator C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(C4=COCCO4)o3)cc2)C1 11634818 WASWTIOEXMNZOY-CYBMUJFWSA-N 434.474 2.088 0 3 IEAF O=C1NC(=O)[C@@]2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@@H](CN3CCCC3)C2)N1 26280808 GNJLINZLUYVCPA-VLIAUNLRSA-N 439.343 2.201 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 95880616 VATWEJOSBHGAQM-IVOMFYJKSA-N 426.513 2.269 0 1 IEAF CCCOc1cccc([C@H](O)c2nc(OC)cc(OC)n2)c1NS(=O)(=O)C(F)F 103181013 NKIJKLFEGZQSLG-HNNXBMFYSA-N 433.433 2.329 0 1 IEAF COC(=O)C1=C[C@H]2C[C@H]1[C@H](S(=O)(=O)c1ccccc1)[C@H]2S(=O)(=O)c1ccccc1 105502990 HFPFDNPWRBBKBQ-JBCDFXQESA-N 432.519 2.421 0 1 IEAF Nc1ncnc(N2CC[C@@](N)(CNC(=O)c3ccc(F)cc3F)C2)c1-c1ccc(F)cc1 206939365 NXMLJMUXZVBHIY-JOCHJYFZSA-N 442.445 2.481 0 1 IEAF COc1ccc([C@H]2C[C@@H]2COc2cc(NC(=O)c3cnn(C)c3Cl)c(=O)n(C)n2)nc1 218390972 CBGFJLZAGCOPLQ-YPMHNXCESA-N 444.879 2.006 0 1 IEAF COc1ccc(-c2noc([C@H]3C[S@@](=O)CCN3C(=O)COc3ccccc3)n2)cc1 299860087 ZNEDVKGUMPVGJN-JJCDCTGGSA-N 427.482 2.456 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)C1CCN(S(C)(=O)=O)CC1 587869898 RAOGXFRNKAFMKT-UHFFFAOYSA-N 432.424 2.284 0 1 IEAF CC[C@]1(c2c[nH]c(C(=O)NCCCn3ccnc3)c2)N[C@H](C(=O)O)Cc2cc(F)ccc21 962905102 ONOQTHDACTVBQL-NZQKXSOJSA-N 439.491 2.423 0 1 IEAF CN1C[C@@H](NC(=O)c2ccno2)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356299023 RLXQCZISJZXKEH-PBHICJAKSA-N 434.443 2.016 0 1 IEAF CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(N)=O 15785213 FNGQMEPMMZKETL-OALUTQOASA-N 429.542 2.247 0 1 IEAF CC(C)(C)OC(=O)N1CCCN(CC(=O)NC2C3CC4CC(C3)CC2C4)S1(=O)=O 84670887 ZNXQLJCFXDOQIJ-UHFFFAOYSA-N 427.567 2.115 0 1 IEAF CNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889104 IJEGDLNEQMJCTO-ILZDJORESA-N 444.532 2.267 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 95899339 GUFQTAZGDROFPH-WVVHNUNQSA-N 432.517 2.105 0 1 IEAF COc1ccc(-c2cn3cc(C(=O)NCCCN4CCOCC4)cc(N)c3n2)cc1OC 1857536941 QIXFRIJDNBKCFR-UHFFFAOYSA-N 439.516 2.053 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc32)[C@@H](CN)CN1 1857748260 WATGQOHRWSPEDX-UZLBHIALSA-N 425.552 2.057 0 1 IEAF COc1ccccc1-c1ccc(C[C@H](NC(=O)[C@@]2(C)CCCS2(=O)=O)C(=O)O)cc1 13442234 HTKRKKLTEHJRRC-PGRDOPGGSA-N 431.510 2.441 0 1 IEAF COc1ccc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OS(=O)(=O)O)cc1O 13507224 NSLLNIWBDJKTNH-UHFFFAOYSA-N 440.382 2.079 0 1 IEAF biogenic CO[C@H]1O[C@@H](OC(=O)CC(C)C)[C@@H]2C(CO)=C[C@@H](OC)C2=C1COC(=O)CC(C)C 14637925 LERLQQKAXDNEKW-ZKMOHVOUSA-N 426.506 2.354 0 1 IEAF biogenic Cc1cc(C)c(-n2nnnc2SCC(=O)Nc2ccc(S(N)(=O)=O)cc2C)c(C)c1 35984694 NZCOTRJLQYBXMH-UHFFFAOYSA-N 446.558 2.274 0 1 IEAF O=C(NCCOc1ccccc1)[C@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 82193597 KZUHZOGYXUXEEW-JTHBVZDNSA-N 446.507 2.472 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCc2cn(nn2)CCCC1=O 95810380 ZIMKOTFORJXDIC-DXIQSLLYSA-N 435.613 2.315 0 1 IEAF O=C(C[C@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 95887100 GATSYQQQECLMNC-HWHRFOGPSA-N 426.513 2.382 0 1 IEAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(C)n4)C[C@@H]3C2)c(-n2nccn2)c1 116823480 OMLRZKUXAYHIPR-IYBDPMFKSA-N 437.479 2.030 0 1 IEAF OC[C@H]1O[C@@H](c2cc(Cc3ccc(C4CC4)cc3)c(Cl)c3c2OCC3)[C@H](O)[C@@H](O)[C@@H]1O 206065225 FEXJMTJCZDUCHC-YVTYUBGGSA-N 446.927 2.258 0 1 IEAF CC(C)(C)C(=O)N1CSC[C@@H]1c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587042925 NPCZDANMMUZXBX-MRXNPFEDSA-N 438.575 2.204 0 1 IEAF Cc1cc(-c2nc3cc(S(N)(=O)=O)ccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587123037 AWDHENOGXXRDFH-UHFFFAOYSA-N 434.421 2.447 0 1 IEAF CN1CCN(CCCNc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)CC1 653845358 XOEYHIASLQUJLZ-UHFFFAOYSA-N 444.486 2.448 0 1 IEAF CCCC(=O)N[C@@H](Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(=O)O 1772620511 PPZNNZJWNCHAPG-QFIPXVFZSA-N 427.545 2.426 0 1 IEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@@]2(OC)C[C@H]1[C@@]5(COC(C)=O)C(=O)OC 2356697881 VDLKMXAKUHLWFE-NUNHOIDESA-N 440.496 2.153 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)cc1 61904784 MSXQKPMNHZXCOI-JOCHJYFZSA-N 430.526 2.351 0 3 IEAF O=C(NCc1ccccc1)c1cc([C@@H]2COCCN2S(=O)(=O)c2ccccc2)on1 61929147 DYDQSNHHJQQAOJ-IBGZPJMESA-N 427.482 2.367 0 3 IEAF CCNc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1 13760711 VLRUPVDWIXYKGR-UHFFFAOYSA-N 442.545 2.329 0 1 IEAF COc1ccccc1N1CCN(CCCSc2nc3ccccc3c(=O)n2N)CC1 13761037 HZNHEMVTHOZKDB-UHFFFAOYSA-N 425.558 2.423 0 1 IEAF COc1cc(C(=O)[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272082 SBFWGSQTPPNJCO-SCLBCKFNSA-N 430.409 2.361 0 1 IEAF biogenic O=C1NCCN(Cc2cccc(F)c2F)[C@@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 39437464 DQCADZNUUJDHOS-HXUWFJFHSA-N 443.494 2.166 0 1 IEAF N=c1oc2c(O)cccc2cc1C(=O)NCCCNC(=O)c1cc2cccc(O)c2oc1=N 49088220 NKEWQXUSKCGFTE-UHFFFAOYSA-N 448.435 2.099 0 1 IEAF CCCCCCCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CNC(=O)[C@@H]1Cc2ccccc21 59426387 FTHVWECPTFDQCS-MRKXFKPJSA-N 432.605 2.350 0 1 IEAF C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1Cc2nc3cc(Cl)ccn3c2C1)C(=O)O 71329054 CPYCKLJBTHKVRT-LIUKBUMOSA-N 446.916 2.395 0 1 IEAF O=C(NC[C@@H]1CCCO1)[C@H](Cc1c[nH]cn1)Nc1nc(-c2cc(O)cc(O)c2)cs1 82193834 YSOIIGRKBUGIQI-IRXDYDNUSA-N 429.502 2.263 0 1 IEAF CC[C@H]1Cn2c(c(NC(=O)CCc3cccnc3)c(=O)n(Cc3ccc(F)cc3)c2=O)N1 82208419 JHOCUAQWIKDNOX-SFHVURJKSA-N 437.475 2.368 0 1 IEAF CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(C[C@@H]2OCOC2(C)C)nn1 84739708 CUXQIJKULUWTHG-JENIJYKNSA-N 446.529 2.249 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CCc1ccccc1 95880172 QTAXOILBRBUFTE-AZOUXBGGSA-N 445.519 2.290 0 1 IEAF O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 95904806 ZQAKPDPMAYCBJK-PWIZWCRZSA-N 431.439 2.477 0 1 IEAF N[C@@H](Cc1c[n+](CC[C@@H](O)CO)cn1CCCCCCCCc1ccccc1)C(=O)O 98208261 PZWWHPFQBVZCHO-PKTZIBPZSA-O 432.585 2.057 0 1 IEAF in-vitro CNC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 100805840 XVPWVWCBTABICH-APIJFGDWSA-N 428.270 2.045 0 1 IEAF COC(=O)NC1CN(c2ncnn3c(C)nc(-c4cnn(C)c4-c4ccc(C)cc4)c23)C1 142307358 DXJPYJYUOJVGFN-UHFFFAOYSA-N 432.488 2.353 0 1 IEAF Cc1nc([C@@](C)(CS(C)(=O)=O)NC(=O)c2cc(O[C@@H](C)CF)c(C3CC3)cn2)no1 146295057 JPBYGKVFMVFROO-JEOXALJRSA-N 440.497 2.077 0 1 IEAF CS(=O)(=O)c1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)NC2=CCCCCN23)cc1 169690100 DMVDIQUXCXHOAS-UHFFFAOYSA-N 447.538 2.466 0 1 IEAF CNC(=O)c1nc(COC)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 169701830 GQDGRDSTNNEJOO-UHFFFAOYSA-N 434.460 2.041 0 1 IEAF C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@H]1O[C@@]14C(=O)c1c(O)cccc1O[C@@]342)C(=O)O 299852908 ZCYXSRAEMATING-VQSQIYQESA-N 426.421 2.031 0 1 IEAF CCc1cc(-c2nnn(CC(=O)OC)c2-c2cccc(S(C)(=O)=O)c2)c(O)cc1O 1911578675 ZAEAMLCSJVQKJB-UHFFFAOYSA-N 431.470 2.162 0 1 IEAF COc1cccc(-c2nn(-c3cccc([P@](=O)(O)CC(=O)O)c3)c3ncnc(N)c23)c1 13538683 YUTBKAYRQZNAQK-UHFFFAOYSA-N 439.368 2.054 0 1 IEAF Cc1ccc(C)c(N2CCN(C(=O)[C@@H]3CCCN(S(=O)(=O)c4cccnc4)C3)CC2)c1 20215851 GGSPHQAJIFRHCP-HXUWFJFHSA-N 442.585 2.448 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 34630850 DOMYQNDGOGEIPJ-LQWHRVPQSA-N 435.480 2.171 0 1 IEAF Cn1cnc2c(NCCCO)nc(-c3cccc(C(=O)NCCc4cccnc4)c3)nc21 49048806 RVHIVHLTUHBNTF-UHFFFAOYSA-N 431.500 2.192 0 1 IEAF C[C@H]1COc2c(NCCCc3ccccn3)c(F)c(N)c3c(=O)c(C(=N)NO)cn1c23 82158383 SCGUPZARFOCHOD-NSHDSACASA-N 426.452 2.420 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@H]1C 95693545 BIFUFKYMXIZDEA-XFQAVAEZSA-N 433.549 2.145 0 1 IEAF CC(C)(C(N)=O)n1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175555 KTCMLQGXNOXASY-UHFFFAOYSA-N 445.487 2.058 0 1 IEAF O=C(N1CCN(C2CCC2)CC1)N1CCC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1 103244064 KDYDHWYTALNWKT-UHFFFAOYSA-N 446.617 2.453 0 1 IEAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(S(=O)(=O)NC[C@@H]3CCOC3)cc1)C2 167252847 BDKQVEJBDCVGOH-INIZCTEOSA-N 426.498 2.421 0 1 IEAF CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 195431547 JCUAKYNOPWFLHK-VRIJDZSUSA-N 439.556 2.253 0 1 IEAF O=C(O)c1nn(Cc2nc3cc(Br)cnc3[nH]2)cc1I 587186214 QYSGOCOXNZGLTF-UHFFFAOYSA-N 448.018 2.268 0 1 IEAF COc1cc2c3c(c1)O[C@@](C)(c1c(C)nn(CCC(=O)N4CCOCC4)c1C)[C@@H](C2)C3=O 587431290 JQEHOZAYTCOXHA-MHECFPHRSA-N 439.512 2.420 0 1 IEAF CCOc1ccc(-c2nn(C(=S)NCC(N)=O)c(=O)c3ccccc23)cc1OCC 587670625 LZNGHMDFDDSPDC-UHFFFAOYSA-N 426.498 2.069 0 1 IEAF CS(=O)(=O)CCn1c(Cc2cn(S(C)(=O)=O)c3ccccc23)nc2ccccc21 1857750340 CEVCQNKTIPGMRY-UHFFFAOYSA-N 431.539 2.434 0 1 IEAF COc1ccc2ncc(C(=O)N3CCN(C(=O)C4CC4)CC3)c(N3CCC(=O)CC3)c2c1 1857762730 GNXFWEBORXFSCX-UHFFFAOYSA-N 436.512 2.107 0 1 IEAF Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1 1380710 CJJHMSWSJNGSFN-UHFFFAOYSA-N 427.530 2.467 0 3 IEAF COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@@H](C)C[C@@H]2N)C(=O)O)cc1 13442327 YUOMCSBLOMSMSI-VDZSXWGXSA-N 442.512 2.378 0 1 IEAF Cc1cc2nc([C@@H](O)[C@@H](CCc3ccccc3)NC[C@@H](O)[C@H](N)CCCN)oc2cc1C 13587021 DUODFAOHEFJSJH-RKONGDRVSA-N 440.588 2.496 0 1 IEAF CC1=C(c2ccc(Cl)cc2)S(=O)(=O)N=C1NCCc1ccc(S(N)(=O)=O)cc1 20900967 WASPKUVGKKTRHI-UHFFFAOYSA-N 439.946 2.293 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 26493272 BRRFCLVJGYVEQO-QPSCCSFWSA-N 429.254 2.472 0 1 IEAF CC(=O)Nc1ccc([C@@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl 26664049 CHKRRRNKQUIMKV-INIZCTEOSA-N 426.304 2.303 0 1 IEAF CN(C)CCNc1c(F)c(N2CCN(C)CC2)c(F)c2c1c(=O)c(C(=O)O)cn2C1CC1 29395995 YBZGHKSDEDVYJP-UHFFFAOYSA-N 449.502 2.038 0 1 IEAF Cc1cccc(C(=O)N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1 40556609 FSMXSXUMVRVOCD-HSZRJFAPSA-N 441.482 2.211 0 1 IEAF Cc1cccc2cc([C@H](C)Nc3ncnc4[nH]cnc34)n(CCN3CCOCC3)c(=O)c12 88345883 CYQTVDMRYDCRGC-INIZCTEOSA-N 433.516 2.482 0 1 IEAF Cn1c(N2CCN[C@H](c3ccccc3Br)C2)nc(-c2ccncn2)cc1=O 116829780 MRSUXUWMTZIJFR-KRWDZBQOSA-N 427.306 2.151 0 1 IEAF COCCOc1cnc2ccn([C@H](C)c3nnc4ccc(-c5cnn(C)c5)cn34)c(=O)c2c1 139738992 MVLDGYLKKKETQP-OAHLLOKOSA-N 445.483 2.474 0 1 IEAF Cc1ccc(C(=O)NC[C@@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12 148180329 RPAQFXSQTDISBJ-INIZCTEOSA-N 449.515 2.075 0 1 IEAF COc1ccc(C(=O)C2CCN([C@@H]3CCN(Cc4nc(=O)c(C)c(C)[nH]4)C3=O)CC2)cc1 207772165 HTWNXILBIKZTTF-HXUWFJFHSA-N 438.528 2.091 0 1 IEAF O=S(=O)(NCc1nc2ccc(Br)c(O)c2[nH]1)c1ccc2c(c1)OCCO2 586941845 OUBLUKFGCBEMBD-UHFFFAOYSA-N 440.275 2.281 0 1 IEAF C[C@@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175610 ZWSMSMYKWMXZKE-NRFANRHFSA-N 445.472 2.351 0 1 IEAF CC(=O)N[C@@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587216806 NHDSVAMBHDBLML-FQEVSTJZSA-N 442.541 2.312 0 1 IEAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@@H](COC(=O)C(=CC)COC(=O)CC(C)(C)O)[C@@H]12 2356729444 IFOJBJYZVQYKHB-NSHGMRRFSA-N 437.533 2.152 0 1 IEAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCCC3)[C@H](O)[C@@H]2[C@@H]1C 2356837995 LPEKSOWODYIDBW-NACGEBBESA-N 436.641 2.346 0 1 IEAF NC(=O)c1cc(S(=O)(=O)NCC2CCC(C(=O)NC3CCCCC3)CC2)cs1 7006359 BVQCUMBDMYXIDT-UHFFFAOYSA-N 427.592 2.381 0 1 IEAF CNC(=O)CNCCOc1ccc(-n2cc(-c3cccc(OC)c3)c3c(N)ncnc32)cc1 40897346 SSJLKPMRPVKRDP-UHFFFAOYSA-N 446.511 2.393 0 1 IEAF O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)c1ccccc1 40918740 AQUXMLXSEGAQLH-FQEVSTJZSA-N 440.931 2.020 0 1 IEAF O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(c2ncccn2)CC1 43197135 KIUHBHFVVQQALF-UHFFFAOYSA-N 448.502 2.131 0 1 IEAF CC[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82208584 SJJCWGMBVYWYPI-PLWAMTLXSA-N 432.565 2.180 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)[C@@H]2N1CCC(F)(F)F 95880263 CDBSOHAAXUFEAJ-WHAFMCBDSA-N 439.478 2.324 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)[C@@H](C2)C3=O 587449631 QGRLQUANIZLNLJ-MBSDFSHPSA-N 442.537 2.339 0 1 IEAF COc1cc2nc(N3CCCN(C)CC3)[nH]c(=NC3CCN(C(C)C)CC3)c2cc1OC 1857764744 PPXVSOGXFSSQQC-UHFFFAOYSA-N 442.608 2.496 0 1 IEAF C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 879134 MXEDNJXWJOCLQC-OAHLLOKOSA-N 426.502 2.478 0 3 IEAF CC[C@H](Sc1nc2cc3c(cc2c(=O)n1Cc1ccco1)OCO3)C(=O)NCCOC 2974296 YLYWICYBBFYUJO-SFHVURJKSA-N 445.497 2.400 0 3 IEAF c1ccc2c([C@@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCOCC3)ccnc2c1 169303266 DSIGPRUPAWKYAM-QFIPXVFZSA-N 430.468 2.403 0 3 IEAF COC(=O)[C@@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1 201465799 XXOXJSOHOGMDKU-GOSISDBHSA-N 445.541 2.047 0 3 IEAF CN(CCO)C(=O)COc1ccccc1CNC[C@@H](O)c1cc(Br)cs1 14966958 OWKDQEAXSZCQFY-OAHLLOKOSA-N 443.363 2.163 0 1 IEAF COc1cc(C(=O)O[C@H](C)[C@H]2C(=O)N/C2=C\C(=O)OCc2ccccc2)cc(OC)c1O 35934392 TUYATMIGLCAYDA-WAQFEYKTSA-N 441.436 2.328 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC(C)=O 71341598 FPGSRCHTAOFUND-MGNXDGSBSA-N 442.420 2.326 0 1 IEAF biogenic CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C 95860514 RIHRPLOFFJCHJI-YZZKKUAISA-N 439.556 2.236 0 1 IEAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC[C@H](O)CO)nc12 113652869 BKDJJDIXKRUBLT-LBPRGKRZSA-N 425.470 2.266 0 1 IEAF C[C@](CC(N)=O)(NC(=O)c1cc(OCC(F)(F)F)c(N2CC(F)(F)C2)cn1)C1CC1 146251476 XWSRPZFKEDXJNG-MRXNPFEDSA-N 436.381 2.252 0 1 IEAF COc1cc(CC(=O)N2CCOCC2)ccc1Nc1ncc(Br)c(OC)n1 169705135 ICXRSTKFIRDVHB-UHFFFAOYSA-N 437.294 2.401 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@H](c3ccc(F)s3)C2)cn1 1772629693 LSFCOUKXNFKYAL-HNNXBMFYSA-N 438.550 2.200 0 1 IEAF O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]12 2356599264 SBXZXGHWTXWRSE-SIKLNZKXSA-N 433.464 2.373 0 1 IEAF CCOc1cc([C@H](CS(C)(=O)=O)N2C(=O)c3cccc(OC)c3C2=O)ccc1OC 13915288 PWWMMNXNXVWCGI-HNNXBMFYSA-N 433.482 2.484 0 1 IEAF CCOc1nc(NC(=O)Cc2cc(OC)c(S(C)(=O)=O)cc2OC)cc(N)c1Cl 14960220 JUKUQWGWZSESAV-UHFFFAOYSA-N 443.909 2.318 0 1 IEAF C=CCO[C@@H]1C[C@@H]2C(=O)N3CC[C@H](NC(=O)Nc4cccc(SC)c4)C[C@@H]3C(=O)N2C1 33674709 HCLMUWQUZYRFNR-QFHJOOASSA-N 444.557 2.075 0 1 IEAF biogenic Cc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCC2(c3ccccc3)CCOCC2)o1 39485372 AJSPUHULGRUECY-OAQYLSRUSA-N 425.529 2.143 0 1 IEAF Cn1cc(C2=C(c3nn(CCn4ccnc4)c4ncccc34)C(=O)NC2=O)c2ccccc21 43019469 RGWHOJFTCGCLER-UHFFFAOYSA-N 437.463 2.387 0 1 IEAF O[C@@H]1[C@@H](COc2ccccc2F)O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H]1O 49110222 MPPSKXRBNABBRV-FLTJSSMESA-N 429.452 2.018 0 1 IEAF C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1ccc(F)cc1 71315802 GDLNLDAXSYMNKX-AJYGTSELSA-N 447.532 2.428 0 1 IEAF CC(C)(C)OC(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2cccc(C(=N)N)c2)cc1 95566190 YLHUXUHGTGXZIS-UHFFFAOYSA-N 446.529 2.233 0 1 IEAF O=C(NC1Cc2ccccc2C1)[C@@H]1N[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@H]1CO 95881105 VGCYDADVCAEPMT-YQIMAOPZSA-N 445.563 2.341 0 1 IEAF CN(CCO)c1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175521 LVUKGWNFLMYVBR-UHFFFAOYSA-N 444.499 2.464 0 1 IEAF Cc1noc(C)c1-c1nc(C(=O)Nc2cnn(C)c2N2CCC[C@H](N)CC2)c(N)s1 169699466 DPMPMERUNUQXQU-LBPRGKRZSA-N 430.538 2.301 0 1 IEAF C[C@]1(c2cc(NC(=O)c3cnc(OCC(F)F)cn3)ccc2F)N=C(N)OC[C@@H]1F 169702955 YUDVJPZQJRMSDK-SCLBCKFNSA-N 427.358 2.410 0 1 IEAF [C-]#[N+]c1ccc(S(=O)(=O)NCC2CN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)cc1 261112205 IGGBBXHLIDODCK-NRFANRHFSA-N 441.509 2.160 0 1 IEAF CC(=O)N1CCCn2c(SC[C@]3(C)NC[C@H]4CC(=O)N(C)c5cccc3c54)nnc21 963039609 ZBCSXZJNOMHBRV-SZNDQCEHSA-N 426.546 2.096 0 1 IEAF C[C@@H]1C=C(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)O[C@H](OCCCCO)C1 13656861 JYTPZLCFAWWSRE-VGSWGCGISA-N 432.517 2.115 0 3 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)C2(c3ccccc3)CC2)cc1 61926520 NXAQSQUQCXQAKG-OAQYLSRUSA-N 428.510 2.223 0 3 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccnc(Cl)n4)CC3)c(F)c2)C(=O)O1 11525366 OVLIDYJGGIGTLQ-HNNXBMFYSA-N 448.886 2.057 0 1 IEAF CNC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@@H]2CC[C@H]1N2C 26400296 XVPWVWCBTABICH-LJISPDSOSA-N 428.270 2.045 0 1 IEAF OC[C@H]1O[C@@H](n2cnc3c(CSc4ccc(Cl)cc4Cl)ncnc32)[C@H](O)[C@@H]1O 29057725 JJLGIOMJNXHTOH-BNGXUDDSSA-N 443.312 2.037 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3cccc4ccc(Cl)cc34)[C@@H]2SC1 40374917 KPZCKTSDLFQVDS-CLCXKQKWSA-N 431.901 2.252 0 1 IEAF O=C(CC(=O)OCc1cn(Cc2ccccc2)nn1)OCc1cn(Cc2ccccc2)nn1 84653069 CFVAURILHIJSKF-UHFFFAOYSA-N 446.467 2.143 0 1 IEAF COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@H](C)[C@H](OC)CN(C)C2=O 95692827 MDBZRSBKDCCZHT-GSHUGGBRSA-N 447.576 2.488 0 1 IEAF O=C(Cc1cccnc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95905711 MJPBAXXGMLUHIX-PIPMEXSNSA-N 439.491 2.137 0 1 IEAF COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)OCCO2 103274154 UZYGNYIWFIEQRS-MOQAYIMBSA-N 446.452 2.338 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3cncc(F)c3)sc2N)c1N1CCC[C@H](N)CC1 169699465 TVZSFNMXTXXAQI-ZDUSSCGKSA-N 430.513 2.230 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Oc4ccc5ncccc5c4)nc23)N1 205021823 HDFACXPYUYZYJX-SXGWCWSVSA-N 428.412 2.219 0 1 IEAF O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OC(F)(F)O4)cc1I 587185256 IZGYNWFOVRTRNW-UHFFFAOYSA-N 448.123 2.432 0 1 IEAF C[C@H]1CCCCN1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)C1 15905814 GBFDVYUKMCIYNN-MXEMCNAFSA-N 442.670 2.302 0 1 IEAF CCOC(=O)C1=C(C)N=C(C)/C(=C(/O)OCC)[C@H]1C(=O)OCC(=O)NCc1ccco1 25702458 LMWFJGOTGKYHDG-CQGUWYRNSA-N 434.445 2.173 0 1 IEAF O=C(NC1[C@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 95572799 WOGPRQJEAZLPIH-MVNRFLDCSA-N 428.533 2.278 0 1 IEAF O=C(NCC1CCCCC1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1ccccn1 95880745 ZKBRAEFVRXSBDJ-MYSJAJEPSA-N 436.556 2.104 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 95903982 PJLYZSQZMHURAL-QHAWAJNXSA-N 438.590 2.101 0 1 IEAF CCCSc1nc(N2CCOCC2)ncc1C(=O)NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2 101550267 ALDSAFDPVLSGCJ-NUMKHXBCSA-N 432.590 2.485 0 1 IEAF C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(OCc3ccccc3)c12 169725253 QVHFSJUJLMPPLI-ZWAQFXLXSA-N 429.505 2.151 0 1 IEAF 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2356846537 XUOKZADAQHRIKC-UHFFFAOYSA-N 432.504 2.471 0 1 IEAF C[C@H](NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 8680542 XSOKSTPLSIIAJS-HNNXBMFYSA-N 429.498 2.256 0 3 IEAF aggregator O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@@H]1c1nn[nH]n1)c1ccccc1 26013029 XUVSXSUAQLBJIY-WOJBJXKFSA-N 446.511 2.254 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 26670018 JEKCMGKEQFMXCT-ZNKILWFQSA-N 442.512 2.214 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95849932 UUZQFXCTZXHTQI-DRSNIGMVSA-N 425.529 2.307 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95879185 LPBWJWPXSLOALJ-IQFVJIFQSA-N 448.567 2.453 0 1 IEAF CCn1ncc(-c2nc3c(C[C@H]4CCN(C(=O)C5CCOCC5)C4)ncnc3n2C)c1C 220259465 HQDBDXZOWDIWKU-MRXNPFEDSA-N 437.548 2.373 0 1 IEAF CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 238787503 GIXHVOWBYFQWRP-JKXQSFPISA-N 435.561 2.267 0 1 IEAF CC(=O)O[C@H]1CC=C(C)[C@@H]2[C@@H](O)[C@]34O[C@]3(C)C(=O)O[C@H]4C=C(C)CC[C@@H](OC(C)=O)[C@@]12C 299806848 YXCIOULYFUHQTK-YLKNPEJASA-N 448.512 2.376 0 1 IEAF O=C(Cn1c(=O)c(Oc2ccc(F)cc2)nc2ccccc21)NS(=O)(=O)C(F)(F)F 1857593295 WCIUWQYTSZEVJP-UHFFFAOYSA-N 445.350 2.294 0 1 IEAF CC[C@H](Nc1ncnc2c1nc(-c1cnn(CC)c1C)n2C)C(=O)N1C[C@H](C)O[C@H](C)C1 1857609851 QAIGMMZFVFIOOP-VBQJREDUSA-N 440.552 2.381 0 1 IEAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@H](C)[C@H]2[C@@H]1O 2356305520 LLIOOIBMJPDGCG-HDYHOFJTSA-N 443.588 2.498 0 1 IEAF CC(=O)O[C@H]([C@@H]1CC=CC(=O)O1)[C@@H]1C[C@H]1C(=O)[C@H](C)OC(=O)C=Cc1ccc(O)cc1 2356482074 HEYOPWSFHOXZQH-VWHACPNBSA-N 428.437 2.346 0 1 IEAF COc1ccc(CCNC[C@H](O)COc2ccc(-c3nc(CO)c[nH]3)cc2)cc1OC 26015620 QLOIBAZYEGHOQK-IBGZPJMESA-N 427.501 2.158 0 1 IEAF CN(C)c1ncnc2c1nc(Br)n2Cc1cccc(NS(C)(=O)=O)c1 26145977 UNUSOSXRKVJVNZ-UHFFFAOYSA-N 425.312 2.075 0 1 IEAF O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCCN(Cc2ccccc2)CC1 28705193 ZBWWFYSISOZAKY-UHFFFAOYSA-N 438.553 2.248 0 1 IEAF O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)C[C@H](Cc1ccccc1)N2)c1ccco1 82205577 PGGDGLNFNJZUIU-SFHVURJKSA-N 443.463 2.335 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1CC(C)C 82235300 PUZRZRBRQSFMFT-NHCUHLMSSA-N 444.576 2.113 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C(=O)C2CC2)Oc2ncc(-c3ccncc3)cc2C1=O 95702096 UWLQZULUNAYBPK-XFQAVAEZSA-N 438.528 2.232 0 1 IEAF O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95905714 MJPBAXXGMLUHIX-UCNVEGJOSA-N 439.491 2.137 0 1 IEAF Cc1ccc2c(c1)/C(=c1/s/c(=C\c3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 102902603 XQPZRYRYZAOGCE-PCZWAXSUSA-N 441.503 2.038 0 1 IEAF Cc1cc(-c2nc(C(=O)Nc3cnn(C)c3N3CC[C@@H](N)[C@H](F)CC3)c(N)s2)ccn1 169699480 YKJHDPRPODCNEC-ZIAGYGMSSA-N 444.540 2.347 0 1 IEAF COc1cccc2c1C[C@@]1(C2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@@H](O5)C1=O 195223492 BIEACPWHNAUZTR-WTBZFEMCSA-N 433.504 2.149 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O 299874533 BNQCACLDAKCEET-DUXKGJEZSA-N 432.561 2.301 0 1 IEAF CCOC(=O)c1cc(C(=O)OCC)n(C[C@@]2(C)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)n1 587433541 YZMYMMXWBICILS-JLCFBVMHSA-N 428.441 2.451 0 1 IEAF COC(=O)C(=O)c1c(-c2[nH]c(C)c(C(=O)OC)c2C)[nH]c2ccc(S(C)(=O)=O)cc12 587651156 MDONJFXFDGIRAE-UHFFFAOYSA-N 432.454 2.326 0 1 IEAF NC(=O)CN1C(=O)[C@]2(N[C@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(Cl)ccc21 962771099 VCVDBXGWWQCHCB-IFXJQAMLSA-N 437.805 2.061 0 1 IEAF CCCn1cc(S(=O)(=O)c2ccc(CNC(=O)N3Cc4ccncc4C3)nc2)cn1 1772627097 IJYIYWJBDASLST-UHFFFAOYSA-N 426.502 2.141 0 1 IEAF COc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cc(C(=O)N3CCOCC3)no2)cc1 61903749 QFYMVOOTFFISMA-GOSISDBHSA-N 435.502 2.072 0 3 IEAF O=C(O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 15958893 QUVCPGXJUQZCAW-WOJBJXKFSA-N 446.463 2.031 0 1 IEAF biogenic COc1ccc(OC)c(CN2CCc3nc(N4CCN(c5ncccn5)CC4)ncc3C2)c1 21039941 BEHFZIWPLCHJQL-UHFFFAOYSA-N 447.543 2.169 0 1 IEAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3N2C[C@@H]2c2ccc(F)cc2)CC1 29313039 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0 1 IEAF CCOC(=O)[C@H]1CCC(=O)N1CC(=O)CCN1CCN(c2ccccc2OC(C)C)CC1 28342345 WOLMQTMNCPQASG-OAQYLSRUSA-N 445.560 2.109 0 1 IEAF in-vivo COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccncc1 72113122 LYJPZLRZPPWZAG-VXKWHMMOSA-N 447.491 2.029 0 1 IEAF CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccc(C)cc2C1=O 82166626 WQBVYVQUXMRWIK-NRFANRHFSA-N 444.576 2.177 0 1 IEAF CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C 82235827 NXZOYPRCDSZLMU-QUCCMNQESA-N 444.576 2.175 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@H]1C 95599000 RZJYZFKNZOCSJO-ZRCGQRJVSA-N 443.592 2.243 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@@](O)(C(=O)[C@]56O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 104359962 YHVXQLPNJVSDTP-KLORQRCGSA-N 430.541 2.263 0 1 IEAF in-man O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 169294516 VUPXZFYWVQJPTN-RYQGBKPXSA-N 441.963 2.085 0 1 IEAF COC[C@@H](C)Oc1nc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1Cl 1772570300 AUFBODLSRYCLPT-LLVKDONJSA-N 435.868 2.228 0 1 IEAF CNCC(=O)O[C@H](CCc1ccc(O)c(OC)c1)C[C@H](CCC[C@@H](C)O)OC(C)=O 2356756837 SZHZUFRUQWLKNX-AYOQOUSVSA-N 425.522 2.338 0 1 IEAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@H]2CN3CC[C@H]2C[C@H]3CNS(C)(=O)=O)n1 2356811281 BMOBXFGWRSVRJU-IHPCNDPISA-N 429.590 2.245 0 1 IEAF CCOC(=O)[C@H]1C[C@H]1[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N 27413279 HMKMQVYWJCUWJS-SDCOAXJVSA-N 443.475 2.136 0 1 IEAF COc1ccc(CNc2nc(N(C[C@@H](C)O)C[C@@H](C)O)nc3c2NCN3C(C)C)cc1 70719175 YJRBZYXFMLISOJ-HZPDHXFCSA-N 430.553 2.263 0 1 IEAF CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC[C@H](O)CO)c4cc(F)ccc34)nc12 95602862 SRGSOSLNVCMQMS-ZDUSSCGKSA-N 440.479 2.385 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95688367 YTFMHZRWJRHUBM-PNLZDCPESA-N 447.576 2.488 0 1 IEAF CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC 95867020 HQFVCHOGXOFNCD-VXSCBNMQSA-N 425.529 2.034 0 1 IEAF CCC(=O)N1CC2(C1)CN(C(=O)c1ccccn1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C 95868827 WNJLLGLVGYQEBD-FQEVSTJZSA-N 448.523 2.261 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@H]21 95892057 UITKDQSVNNFDEJ-YFVAEKQCSA-N 441.528 2.475 0 1 IEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(N)cc1c2[Si](C)(C)C 195257892 ODWBCUMQNJOMBY-QHCPKHFHSA-N 435.556 2.207 0 1 IEAF CC(=O)O[C@@H]1C[C@@]2(C)C=C[C@H](O)[C@@]3([C@H](O)CCC(C)(C)[C@@H]13)[C@]2(O)CCC1=CC(=O)OC1 2356410487 MJWXYHMXFFQYJC-JCNXLUHNSA-N 434.529 2.037 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)c1 786151 AZDQZPZMIFRDND-LRQRDZAKSA-N 448.560 2.381 0 1 IEAF COc1ccc(CN[C@@H](C(N)=O)[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1 13744837 QZUDNIHWZHJQQN-PWRODBHTSA-N 443.544 2.136 0 1 IEAF O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCS(=O)(=O)c1ccccc1)c1ccccc1 25967742 HOYLKJZZXSKKOL-LJQANCHMSA-N 429.494 2.268 0 1 IEAF COC(=O)[C@@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26279117 HGXRWQIKXWHVAU-OWWUWSSBSA-N 447.388 2.031 0 1 IEAF COc1ccc(CCNC[C@@H](O)CN(C)S(=O)(=O)c2cccc3cnccc23)cc1 29129722 OWFFPEJRTLFSIY-LJQANCHMSA-N 429.542 2.057 0 1 IEAF N[C@@H](CC(=O)N1N=CC[C@H]1C(=O)Nc1ccc(C(=O)O)cc1)Cc1cc(F)c(F)cc1F 45496484 MAOCREITXFWXQB-ACJLOTCBSA-N 448.401 2.287 0 1 IEAF O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccc2c(c1)OCO2 62224135 TYTHBXMTSPUPRQ-QGZVFWFLSA-N 425.441 2.069 0 1 IEAF COc1ccc(CC(=O)N2CCN(c3nc(Nc4cc(C)[nH]n4)c4cccn4n3)CC2)cc1 66099176 VGBCROSCXXBWEY-UHFFFAOYSA-N 446.515 2.404 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1ccncc1 95879190 HXVSQQAEYHQLEB-LGKPFJOYSA-N 434.540 2.111 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 169294514 VUPXZFYWVQJPTN-CGYPGZLNSA-N 441.963 2.085 0 1 IEAF C=C(Cl)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169366970 WCOOYUULXHMRKM-PLFLBHOFSA-N 430.932 2.194 0 1 IEAF CN1CC[C@]23CC(=O)[C@@H](CC(=O)NCc4ccccc4)C[C@@]2(O)[C@H]1Cc1ccc(O)cc13 221636207 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Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 95908241 DVSDZAFRLPIFCS-HMXCVIKNSA-N 438.590 2.268 0 1 IEAF CN1CCN(CCCNC(=O)[C@@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)CC1 104215723 LFKVYSUETPKRHJ-GGAORHGYSA-N 439.560 2.191 0 1 IEAF O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(COC4)C3)cc2)C1 113147279 PZFODDBHTCTTPH-UHFFFAOYSA-N 432.480 2.472 0 1 IEAF O=C(Nc1ncc(Br)s1)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)N[C@H]1CCNC1)C21CC1 168416117 IIOBHXCGPITHPJ-FUVSOYRFSA-N 439.379 2.375 0 1 IEAF C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 220880549 BVFQTLMOXFJXBK-VIFPVBQESA-N 448.878 2.015 0 1 IEAF CNC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1Nc1nc(Nc2cccc(NC(=O)CN)c2)ncc1Cl 299818840 ANDWXAGCNLNBJR-ZXYKHMISSA-N 441.923 2.119 0 1 IEAF COc1cc(Br)c([C@H](N)c2nc3ccc(-n4cnnn4)cc3[nH]2)cc1OC 586976063 SNHFHKVRXNWVPE-INIZCTEOSA-N 430.266 2.366 0 1 IEAF O=C(O)Cn1cc(I)c(-c2nc3c(Br)cncc3[nH]2)n1 587186511 VZPDLOCJUHWOQP-UHFFFAOYSA-N 448.018 2.273 0 1 IEAF COC(=O)c1c[nH]c2cc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2c1=O 1772571996 LZAXLCNWVBWFNK-UHFFFAOYSA-N 435.480 2.361 0 1 IEAF CN1[C@H](CCC(=O)NCc2cccs2)CNC(=O)[C@H]2[C@H]1CCN2Cc1ccc(F)cc1 2356823118 GJCYNXIAYRTKOS-SYYKKAFVSA-N 444.576 2.357 0 1 IEAF COc1ccc(CN2CCNC(=O)[C@H]2CC(=O)NCCc2nc(C)c(C)s2)cc1C 11813588 IRGOSMWGRGBVDV-GOSISDBHSA-N 430.574 2.126 0 3 IEAF CS(=O)(=O)N1CCC(c2cc(Nc3nccn4c(-c5cn[nH]c5)cnc34)sn2)CC1 72109209 DEYRVWAAPWPOND-UHFFFAOYSA-N 444.546 2.459 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)CC1 169290894 VMZGYYIBHIORNR-UAOWYBJRSA-N 447.535 2.240 0 1 IEAF O=C(NCCN1CCC2(CC1)C(=O)NCN2Cc1ccncc1)c1ccc2ccccc2c1 211943758 HVJCDWMENLZJBE-UHFFFAOYSA-N 443.551 2.389 0 1 IEAF Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582283 ZJYRALKPWNCLDG-IGMHASDESA-N 436.420 2.339 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4[C@H]5O[C@H]6[C@](O)(CO[C@@H]7O[C@H]([C@@H]4[C@@]76O)[C@]3(C)CC[C@]2(C)CC1)O5 2356323722 MNRQLHQVSXOFJM-BAZYFMGJSA-N 446.540 2.002 0 1 IEAF COC(=O)[C@@H]1N[C@@H](C(=O)OC)C2=C1c1c([nH]c3ccccc13)[C@]21CN(C)c2ccccc21 2356807950 YHTGEPSSZSALLA-OTPAQWSUSA-N 429.476 2.357 0 1 IEAF O=C1Nc2ccc(C=Cc3ccccc3)cc2C(=O)N2CC[C@@H](NC(=O)N3CCOCC3)[C@@H]12 2356867345 WQTDIMVQPRMGCM-YADHBBJMSA-N 446.507 2.434 0 1 IEAF COc1ccc(NC(=O)NC2CCN(C[C@H](O)[C@H]3COc4ccccc4O3)CC2)cc1 27984155 MFNXJAQBVWYFJU-SIKLNZKXSA-N 427.501 2.482 0 1 IEAF CCNC[C@@](O)(CCCCC[C@@H]1CC[C@@H]([C@@H]2CC[C@@H](O)[C@H](C)N2)C[C@H]1O)CC(=O)O 85488153 VEGIAGTUUGVGIJ-GLBLGIBNSA-N 428.614 2.031 0 1 IEAF biogenic,in-vitro O=C(Nc1nccs1)[C@H](CC1CCCCC1)N1CCN(S(=O)(=O)C2CC2)CC1=O 95604988 UVQDJQMAEVSBJS-INIZCTEOSA-N 440.591 2.057 0 1 IEAF O=S(=O)(c1ccccc1)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2CC1CCOCC1 95794443 MUXVQBHTPJFPFX-XZOQPEGZSA-N 442.581 2.317 0 1 IEAF O=C(C1=C(O)[C@@H]2Oc3c(O)ccc4c3[C@@]23CCN(CC2CC2)[C@H](C4)[C@]3(O)C1)N1CCCC1 100628140 VWGXLGSVGWVXOJ-QVJDATKISA-N 438.524 2.001 0 1 IEAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2nc(-c3ccnc4[nH]ccc34)[nH]c2n1 143971262 YLOCTAWZZXJSJN-KBPBESRZSA-N 434.504 2.346 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4nccs4)o3)cc2Cl)CS1(=O)=O 209015112 PQWZZLJRUIWSHM-AWEZNQCLSA-N 444.951 2.380 0 1 IEAF Cc1cccc2c1[C@@H]([C@@H](F)[C@H](O)[C@H](O)[C@H](C)O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963915707 OTKFUKUSSUBWRW-BFJBXOSVSA-N 441.496 2.113 0 1 IEAF O=C(NCc1ncccc1F)c1cnn(CC2CN(CCc3nc4ccccc4[nH]3)C2)c1 1857598178 PVGZGVLLHRSLEX-UHFFFAOYSA-N 433.491 2.398 0 1 IEAF Cc1noc(C)c1CN1CCN2C(C(=O)Nc3ccc4c(c3)OCO4)=COC2=NC1=O 205224451 JHLZGTAAIPTMFV-UHFFFAOYSA-N 425.401 2.124 0 3 IEAF CC(=O)N[C@H](C(=O)N1CCC[C@H]1[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O)C(C)C 14976247 SEUJXYJXXTVJLF-QRVBRYPASA-N 438.461 2.310 0 1 IEAF Cc1c(Cn2ncc(N3CCNCC3)c(Cl)c2=O)cccc1NC(=O)c1cccnc1 40860452 SSRALUHRQZHILF-UHFFFAOYSA-N 438.919 2.310 0 1 IEAF COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(F)ccc(F)c3F)cc2N)cc1 45284936 ZWPKSEAXXCWKMM-UHFFFAOYSA-N 427.360 2.347 0 1 IEAF C[C@H](O)CNC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82220449 FDYADCLMOATNAT-LRQRDZAKSA-N 440.544 2.071 0 1 IEAF CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@H](C)[C@@H](OC)CN(C)C2=O 95691321 WSQGAZSPVHYFJA-YRNRMSPPSA-N 449.548 2.014 0 1 IEAF Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 95834388 UFUZIZHGCRPPRZ-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF Cn1cccc1C(=O)N1CCN(C(=O)Nc2ccc(N3CCC(C(=O)O)CC3)cc2)CC1 138526673 MFBFXAMAOIFEDV-UHFFFAOYSA-N 439.516 2.316 0 1 IEAF COc1ccc(C(N)=O)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 207257761 FDPVPDHJOTXXCZ-UHFFFAOYSA-N 429.484 2.250 0 1 IEAF Cc1[nH]c(/C=C2\C(=O)Nc3ncc(Cl)cc32)c(C)c1C(=O)NCCN1CCOCC1 473248729 QEUPKLQPXJWMML-YBEGLDIGSA-N 429.908 2.235 0 1 IEAF O=S(=O)(NCc1nc2cc3c(cc2[nH]1)OC(F)(F)O3)c1ccc2c(c1)OCCO2 586942611 YGPVUIKUWHMUAH-UHFFFAOYSA-N 425.369 2.134 0 1 IEAF CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2nn(CCO)cc21 1911581932 PHTQOYPUVDVNES-UHFFFAOYSA-N 428.533 2.395 0 1 IEAF Oc1ccc(CCCC[C@H](CCc2ccc(O)cc2)O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356473583 JZCRGGLJUHEQBR-KNOCVWDGSA-N 432.513 2.268 0 1 IEAF COC(=O)[C@H]1[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@@H]4CCN3C[C@H]2[C@@H](C)O[C@H]1O 2356506055 ZYGDELAAHCXOPI-BWERNMKOSA-N 430.501 2.110 0 1 IEAF CC(=O)c1ccccc1NC(=O)COC(=O)[C@H]1CCCN1S(=O)(=O)c1ccccc1F 2661655 JLDRDNVMPZVEIY-GOSISDBHSA-N 448.472 2.363 0 3 IEAF N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccn4)cc3)C2=O)c1 13800321 APOUXRBLXHMFLL-NRFANRHFSA-N 449.536 2.112 0 1 IEAF NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4C[C@@H]5CC[C@H](C4)O5)c3)n2)c1 95575547 HBLUJJRKHYEUPJ-CALCHBBNSA-N 438.513 2.297 0 1 IEAF O=C(C[C@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@@H](CO)O1)NCc1cccc(F)c1 95904717 DIBYFULSGUGGHN-VAMGGRTRSA-N 431.439 2.477 0 1 IEAF CCOCc1c(C(=O)NCc2cncn2C)cnn1-c1ncc(C)c(N2CCCCC2)n1 96273273 ATOKVTDUHKZLMB-UHFFFAOYSA-N 438.536 2.161 0 1 IEAF in-vitro COC(=O)c1ccc([C@H]2SCC(=O)N2c2ccc(N3CCNCC3)cn2)c(OC)c1 169335141 ZBVWJSDRLURNPJ-HXUWFJFHSA-N 428.514 2.065 0 1 IEAF Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC(Cc3ccccc3)CC2)c(=O)c1=O 203392939 OUOBSLCWMHEBJU-UHFFFAOYSA-N 429.498 2.147 0 1 IEAF COC[C@@H]1CCCN1Cc1nc(C2(O)CCN(C3CCN(C(C)=O)CC3)CC2)cs1 2356289839 BBNDIEXUPLQQNQ-IBGZPJMESA-N 436.622 2.048 0 1 IEAF COc1cc([C@@H](O)[C@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272070 JUFCGVIVUSQKEM-FASAQXTFSA-N 432.425 2.212 0 1 IEAF COc1ccc2c(C)c(CC(=O)N[C@H](Cc3ccc(O)cc3)C(=O)O)c(=O)oc2c1C 16042989 YORIDFBSOVGMKN-GOSISDBHSA-N 425.437 2.479 0 1 IEAF biogenic Cc1ccccc1OC[C@H](O)CNCCC(=O)Nc1ccc(C2=NNC(=O)C[C@H]2C)cc1 27100069 MKSAJBJQAOHVDL-YLJYHZDGSA-N 438.528 2.213 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(C(=N)N)cc3[nH]2)C(C)C)cc1 586932396 DSTIVGZCQBAMCV-LJQANCHMSA-N 442.545 2.159 0 1 IEAF O=S(=O)(NCc1nc2cc3nc(O)[nH]c3cc2[nH]1)c1ccc(Br)s1 586943269 XZNOSTGGXPLIDX-UHFFFAOYSA-N 428.293 2.447 0 1 IEAF CNS(=O)(=O)c1ccc(CCc2nc3cc(I)cnc3[nH]2)cc1 586947475 ZTOJABDIUBUMNI-UHFFFAOYSA-N 442.282 2.256 0 1 IEAF CC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@@H](n2cnc3ccccc3c2=O)C(=O)O1 2356850845 QAZBHZNAMAXISJ-LZFFWASXSA-N 430.464 2.081 0 1 IEAF Nc1ccccc1CNC(=O)[C@@H]1C[C@H](OCc2ccccc2)CN1C(=O)c1cnccn1 789971 YIIVALYMGLWKGM-UGKGYDQZSA-N 431.496 2.175 0 1 IEAF C[C@@H](C1CCC(NS(=O)(=O)c2ccc(F)cc2F)CC1)[C@H](N)C(=O)N1CC[C@H](F)C1 14963948 SVLBSRKRCNGUMO-NHWLYOTESA-N 447.523 2.336 0 1 IEAF CCOP(=O)(OCC)C(=O)OC[C@H]1O[C@H](n2ccc(NC(C)=O)nc2=O)CS1 26278164 BXABQRNUCDYXOX-STQMWFEESA-N 435.395 2.193 0 1 IEAF COC(=O)Nc1ccc2c(c1)C[C@@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2 28530434 VMJRNRWFFHGSDM-VWPQPMDRSA-N 439.512 2.435 0 1 IEAF COC(=O)[C@H]1[C@H](CO)C(=O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 29205889 ZOGBVXILEBPEES-KPOBHBOGSA-N 444.436 2.167 0 1 IEAF O=S(=O)(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCSCC1)c1ccc(Cl)cc1 43527264 XUUZXHCGSVBPGE-SOLBZPMBSA-N 430.039 2.378 0 1 IEAF biogenic CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@H](C)[C@H](OC)CN(C)C2=O 95691049 WSQGAZSPVHYFJA-RZQQEMMASA-N 449.548 2.014 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cnc3[nH]2)[C@@H](C)O)cc1 586938703 QRSBQGAGKJJNOH-OTYXRUKQSA-N 441.307 2.129 0 1 IEAF C[C@@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1nc(CCOc2ccccc2)no1 1772586697 DIDRDLJTUVCPRG-FMKPAKJESA-N 440.460 2.360 0 1 IEAF O=C(Cn1c(=O)c(-c2ccc(F)cc2)nc2ccccc21)NS(=O)(=O)C(F)(F)F 1857606519 IPUBVHRTKKVURM-UHFFFAOYSA-N 429.351 2.168 0 1 IEAF O=C1C=C2[C@@H]3[C@H]([C@@H]4C[C@@]2(O1)[C@@H]1CCCCN41)[C@H]1[C@@H]3C2=CC(=O)O[C@@]23C[C@H]1N1CCCC[C@@H]13 2356550367 DVUJULGIOINVNJ-UFDMFDEESA-N 434.536 2.190 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 95892052 UITKDQSVNNFDEJ-SLYNCCJLSA-N 441.528 2.475 0 3 IEAF CCCCc1nn(CC(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 13832678 UIRFKGCJWQLGDF-UHFFFAOYSA-N 447.499 2.456 0 1 IEAF COC(=O)[C@H](C)N[P@@](=O)(OC/C=C\Cn1cnc2c(N)ncnc21)Oc1ccccc1 26279086 XZMWWDJOKLNHNR-PJGGZKHXSA-N 446.404 2.320 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3cccc4ccc(Cl)cc34)[C@@H]2SC1 40374925 KPZCKTSDLFQVDS-VCBZYWHSSA-N 431.901 2.252 0 1 IEAF CCCCN1CCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1 72106114 XMLQRYVULFQRSB-UHFFFAOYSA-N 436.512 2.458 0 1 IEAF COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 95793913 FPZJGDBCVHHPBM-JTHBVZDNSA-N 438.499 2.417 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)CC 95879844 FTDITXASOKZPKY-MWRLGJARSA-N 441.503 2.081 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1[C@@H]1CC[C@@H](N)[C@@H](F)CO1 221421463 RWYOZDOSHUAXDC-SCRDCRAPSA-N 449.487 2.429 0 1 IEAF CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@H](C)C(=O)O 504153325 QBLHGVZHHUCVBA-KBARZSOFSA-N 446.500 2.081 0 1 IEAF biogenic O=C(Cc1ccc(Cl)cc1)c1nc2cc(C(=O)N3CCN(CCO)CC3)ccc2[nH]1 587071293 ZMTFLUOOARRVJQ-UHFFFAOYSA-N 426.904 2.392 0 1 IEAF Oc1nc(O)c(I)c(-c2nc3cc(Br)cnc3[nH]2)n1 587183417 XSPUAMGKGDHOSU-UHFFFAOYSA-N 433.991 2.193 0 1 IEAF CC(C)(C)C(=O)OCOC(=O)[C@H]1/C(=C(/C/C=C/c2ccccc2)C(=O)O)O[C@@H]2CC(=O)N21 1772641167 ZXZLCZGIXSRHMF-YWQVUVSNSA-N 443.452 2.476 0 1 IEAF COc1cc(CC[C@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@@H](C)O)c2)ccc1O 2356349437 FJOVRIHOOSOTRE-APWZRJJASA-N 447.528 2.299 0 1 IEAF CN1C[C@H](NCc2cnn(C)c2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356540699 HGOKVEHXQISPML-FXAWDEMLSA-N 433.503 2.122 0 1 IEAF Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@H]1C 61945953 UFUZIZHGCRPPRZ-QTEQDKRBSA-N 443.592 2.243 0 3 IEAF O=C1CSc2ccc(OC[C@H](O)CN3CCN(C(=O)c4ccc(F)cc4)CC3)cc2N1 27525980 NTSJCWZFZFAXEP-QGZVFWFLSA-N 445.516 2.068 0 1 IEAF COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O 45390897 ACRHQCILRCGEKI-UHFFFAOYSA-N 430.411 2.053 0 1 IEAF OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCCC3)[C@H](O)[C@@H](O)[C@@H]1O 71332674 BLIXKORVTSPRQD-VCNVZYBUSA-N 440.536 2.454 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(CC1CCOCC1)CC31CN(C(C)=O)C1 95664580 GAURCZPPPQEJCT-NRFANRHFSA-N 427.545 2.062 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886511 USTKRYYMXKIIKC-ZGXWSNOMSA-N 435.496 2.026 0 1 IEAF CNC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889101 IJEGDLNEQMJCTO-KPFFTGBYSA-N 444.532 2.267 0 1 IEAF Cn1cc(CCN2C[C@H](N3Cc4cn[nH]c4C3)C[C@H](N)[C@H]2c2cc(F)ccc2F)cn1 205420425 LDCZXUMBEQIQKN-PIPMEXSNSA-N 427.503 2.123 0 1 IEAF O=C(O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2COc3ccccc3O2)nc1=O 209716999 QIQHCOKFDZQAES-INIZCTEOSA-N 436.420 2.149 0 1 IEAF C/C(=C\COc1ccc(CCNC(=O)/C=C/S(C)(=O)=O)cc1)CC[C@H](O)C(C)(C)O 238754787 WRXFITZUJCADEK-AYEQULFCSA-N 439.574 2.141 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@H]12 254113683 HPMLNBIUWWBSTD-KRKXHZOKSA-N 438.572 2.220 0 1 IEAF CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 299882467 PUJIBYVKIORYGB-CYFNAFFESA-N 427.413 2.302 0 1 IEAF O=C1CSc2ccc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)cc2N1 587043779 MUTOFTGBPXNVQY-UHFFFAOYSA-N 430.511 2.295 0 1 IEAF CCOC(=O)c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 587182922 UHLCNMQWYLYORX-UHFFFAOYSA-N 426.170 2.212 0 1 IEAF COc1cc(-c2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)ccc1OCC(=O)NC(C)C 587217679 DJPUFTPEEZMDOW-UHFFFAOYSA-N 446.529 2.392 0 1 IEAF Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccc(F)cc4)nn3)[C@H]2O)cc1 1772631999 LEJGTTBPRKJROI-IFLJBQAJSA-N 431.489 2.165 0 1 IEAF CCCC(=O)Nc1cc2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)c(C)c2oc1=O 1857567495 XYPDSIYNZYMHDP-GMLUQMLDSA-N 435.473 2.091 0 1 IEAF CC(C)[C@H](CO)N=c1nc2c(ncn2C(C)C)c(Nc2ccc(N3CCNCC3)cc2)[nH]1 1857640988 PCKCQHTXFTYJSH-IBGZPJMESA-N 438.580 2.411 0 1 IEAF CNCOc1ccc(CC[C@H](O)CC(=O)CCc2ccc(O)c(OC)c2)cc1OCO 2356562906 ITKMASJPSFWKLD-IBGZPJMESA-N 433.501 2.171 0 1 IEAF O=C(NC1CCCCCCC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1 2964792 FFXRDSAFYOZGFJ-UHFFFAOYSA-N 443.610 2.011 0 3 IEAF Cc1nc(N)ccc1CNC(=O)Cn1c(C)cnc(NCC(F)(F)c2ccccc2)c1=O 13493131 OYGPPOOTDFYCCI-UHFFFAOYSA-N 442.470 2.358 0 1 IEAF C[C@H](NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1 13678868 SGLDYCXUSGHLPC-HNNXBMFYSA-N 432.480 2.489 0 1 IEAF CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ncccc4O)cc3)cc2n(C)c1=O 13678932 YEIYMAQXUQPVOE-UHFFFAOYSA-N 449.467 2.223 0 1 IEAF Cc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@@H](N)CC(C)C)CC2)C(C)C)cc1 15958288 YWWGOYDNOAIZDC-FCHUYYIVSA-N 444.620 2.364 0 1 IEAF biogenic Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 20183252 LRERTOYOIGJSAU-KCOOYEKVSA-N 433.533 2.472 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-c3cccnc3)ncnc12 95597139 PZEBQOOWAUNKHI-UHFFFAOYSA-N 440.463 2.187 0 1 IEAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2S(C)(=O)=O 95794625 KIQIEUFWARLVGQ-PZJWPPBQSA-N 432.517 2.203 0 1 IEAF Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587582286 ZJYRALKPWNCLDG-ZPBXOSQXSA-N 436.420 2.339 0 1 IEAF Cc1nn(C)c(C)c1[C@@]1(C(N)=O)N[C@@H](C(=O)O)Cc2cc(C(F)(F)F)c(Cl)cc21 963182366 OUGQQFKALSZWIX-DYVFJYSZSA-N 430.814 2.037 0 1 IEAF COc1ccc2cnn(CC(=O)N(C)C[C@@H]3CCCN4CCCC[C@@H]34)c(=O)c2c1OC 2356762713 OUFIRDXUCZVEND-ROUUACIJSA-N 428.533 2.137 0 1 IEAF O=C(Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1ccccc1 591439 QFFMDDLLSWDZLE-UHFFFAOYSA-N 449.845 2.050 0 1 IEAF O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(CC3CC3)CC2)C(=O)N1 72105400 WVVVZTYNCILRDX-UHFFFAOYSA-N 448.523 2.458 0 1 IEAF CCNc1nc(NCCc2ccc(S(N)(=O)=O)cc2)nc2cc(OC)c(OC)cc12 82131634 SZDCJZUIIJGSSY-UHFFFAOYSA-N 431.518 2.381 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)CC1 85729717 YUCYEVHMFBEBSC-UYUGDDHESA-N 432.557 2.054 0 1 IEAF in-man CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 95675921 PYJMYSQFCOCJMQ-RYQLBKOJSA-N 442.969 2.161 0 1 IEAF NS(=O)(=O)c1ccc(-c2cn(-c3ccc(I)cc3)nn2)s1 96913517 JJWPTVJWSMJVMO-UHFFFAOYSA-N 432.268 2.248 0 1 IEAF O=C(NCC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 103298148 KNWJONIXIZVFJE-LLVKDONJSA-N 443.099 2.436 0 1 IEAF COCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21 118515316 FQWWYYCQCMHTGH-UHFFFAOYSA-N 449.960 2.386 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 169297387 MTXGZVVJWPJPOQ-KBMWWAESSA-N 443.588 2.443 0 1 IEAF COc1ccc2c(c1OC[C@H](O)CN1CCN(c3ccccc3)CC1)CO[C@H](C)C2=O 1857611914 AGBIABPYFBNSSX-IEBWSBKVSA-N 426.513 2.359 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ccc(C(F)(F)F)nn3)CC1)C(=O)C2 40420541 VOTQKPSOHQUIPE-FZKQIMNGSA-N 446.495 2.343 0 1 IEAF Nc1ncnc2c1c(-c1ccccc1)nn2Cc1cn(CC(=O)Nc2ccccc2)nn1 66079427 YHBYPASTJNYHBS-UHFFFAOYSA-N 425.456 2.354 0 1 IEAF CCOC(=O)CN(CCCNCc1ccc2c(c1)OCO2)c1nc(-n2ccnc2)ns1 73158538 QQSAZEAMGIEETP-UHFFFAOYSA-N 444.517 2.002 0 1 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795883 QMVYBQNWUZQTJV-ZDXQCDESSA-N 438.499 2.417 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C)c1ccccc1 95880236 PHKYBFDSCWYMMN-HAMXWHDFSA-N 444.535 2.381 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3nccnc3Cl)CC1)[C@@H]1CC[C@@H]2[C@H]2C[C@@H]21 100679505 KHOAMOKCCGVUEC-QMROVXIMSA-N 443.979 2.309 0 1 IEAF Cn1c(N2CCN[C@H](c3cccc(Br)c3)C2)nc(-c2ccncn2)cc1=O 116774528 NPYVWOVJVRQTFZ-KRWDZBQOSA-N 427.306 2.151 0 1 IEAF O=S1(=O)CCN(c2nccnc2O[C@H]2C[C@@H](Nc3nc4ccccc4s3)C2)CC1 261108234 HSHWAUPSRKDELU-OKILXGFUSA-N 431.543 2.343 0 1 IEAF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@](O)([C@@H]1CS(=O)(=O)C(=O)N1O)C2 2356391902 IBVAIJGYBYPIEI-JMPGWDFISA-N 443.518 2.087 0 1 IEAF COc1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@H](CCC(=O)Nc2ccccc2)N3C)cc1 2356862212 UXWYYURZKMFVAK-BGWNEDDSSA-N 436.556 2.487 0 1 IEAF O=C1c2ccccc2[C@H](c2nnnn2-c2ccc3c(c2)OCCO3)N1CCCn1ccnc1 199224872 BBXUOYVFWYTHKJ-OAQYLSRUSA-N 443.467 2.266 0 3 IEAF CC(C)S(=O)(=O)N1CCN(C(=O)c2ccc(-c3nc4ccccc4c(=O)[nH]3)cc2)CC1 72114533 SLKWLBUMOCYROE-UHFFFAOYSA-N 440.525 2.086 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C 82166726 PMJKJQNGEBSNBR-SFTDATJTSA-N 444.576 2.031 0 1 IEAF Cc1ccc(C(=O)c2cccc(C(=O)N[C@@H]3C(=O)N4[C@@H](C(=O)O)C(C)(C)S[C@H]34)c2)cc1 84597141 HPSHHVYXYPFVGX-PLMTUMEDSA-N 438.505 2.471 0 1 IEAF Cn1cc(-c2cc(NS(=O)(=O)CCF)ccc2O[C@H]2CCOC2)c2cc[nH]c2c1=O 146768837 IVTHHDHMVHZZTA-AWEZNQCLSA-N 435.477 2.413 0 1 IEAF COC(=O)/C=C/C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 169319049 HGDXWVDJCCWJAX-MXBGBOGKSA-N 427.453 2.075 0 1 IEAF Cc1coc2nc(N3CC[C@@H](C)N(C(=O)c4ccccc4-n4nccn4)CC3)nc(N)c12 169347340 ROCGDCJOZCLRBC-OAHLLOKOSA-N 432.488 2.435 0 1 IEAF CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629894 INMGLCAYHAXLGT-KDOFPFPSSA-N 427.379 2.114 0 1 IEAF CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C(=O)N1C 1911586803 ZAPAOYNOGTWFDN-BVSLBCMMSA-N 444.620 2.255 0 1 IEAF COc1cc2c(c(OC)c1O)[C@H]1c3c(cc(OC)c(O)c3OC)C(=O)[C@@H](CO2)[C@H]1CO 2356642245 AADIYABRBAOWKA-JRPNMDOOSA-N 432.425 2.078 0 1 IEAF CCOC(=O)CN1C(=O)[C@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21 14976576 KRFJPSPAMJNADY-QFIPXVFZSA-N 426.856 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442.478 2.285 0 1 IEAF COc1c(CO)c2c(c(CO)c1OC)CN1CCc3cc4c(c(OC)c3[C@H]1C2)OCO4 2356694854 LEBRYAVYMBTAIK-QGZVFWFLSA-N 429.469 2.081 0 1 IEAF CC1CCN(S(=O)(=O)c2ccc3ncn(CC(=O)N4CCCC[C@@H]4C)c(=O)c3c2)CC1 9776637 GQFMWOYPMXQLGD-KRWDZBQOSA-N 446.573 2.218 0 1 IEAF COC(=O)[C@@H](C)N[P@@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26279105 HGXRWQIKXWHVAU-BERYELMGSA-N 447.388 2.031 0 1 IEAF C[C@@]1(c2ccc(F)cc2)CC(=O)N(CCCCN2CCN(c3ncccn3)CC2)C1=O 29243821 ZFSXTHDCRMCHDS-QHCPKHFHSA-N 425.508 2.235 0 1 IEAF Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)cc1F 84756713 ZSZHSTIYJZSNGF-WMZOPIPTSA-N 434.537 2.372 0 1 IEAF O=C(N[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 95677201 AVWHUTQXLFJWQV-VABKMULXSA-N 437.540 2.064 0 1 IEAF CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 104436993 JCUAKYNOPWFLHK-IYXIZZNPSA-N 439.556 2.253 0 1 IEAF COc1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1C(=O)N1CC(C)(O)C1 200255641 LCJRZKBNARHZMK-UHFFFAOYSA-N 427.482 2.251 0 1 IEAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 299884016 SJJCWGMBVYWYPI-BVPXEZJJSA-N 432.565 2.180 0 1 IEAF NS(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c12 586946001 PNNRPKYNROXABV-UHFFFAOYSA-N 438.512 2.010 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O 587448376 IPWRFGPGGWUZEI-FDDCHVKYSA-N 442.537 2.339 0 1 IEAF O=C([C@H]1O[C@H]2O[C@@H]1C(=S)N(Cc1ccccc1)[C@@H]2Cc1ccccc1)N1CCOCC1 1772614549 OOBWNCZQTKMZJC-XBJMDHIQSA-N 438.549 2.410 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4c3CCS4)CC1)CCC[C@H]2O 1772615603 NFONCWBZHQCTIA-HXUWFJFHSA-N 426.586 2.392 0 1 IEAF CN1CCN(Nc2ncc(Nc3ccc4c(N=c5cncc[nH]5)ccnc4c3)cn2)CC1 1857583717 JCMGNVLFVQDFFJ-UHFFFAOYSA-N 428.504 2.298 0 1 IEAF COCCc1nccc(C[C@@H]2[C@H](NCc3ccccc3C(F)(F)F)C[C@H](O)[C@H]2CO)n1 2356289728 YIKMLBDCYOJWSY-XEYPJELSSA-N 439.478 2.375 0 1 IEAF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC[C@@H](O)[C@@H](N)Cc1ccccc1 27523369 BKUFAYMPSGTAGX-MYDTUXCISA-N 443.588 2.004 0 1 IEAF CC(C)(C)NC(=O)N[C@H](Cc1ccc(NC(=O)c2cccc(NC(=N)N)c2)cc1)C(=O)O 29247523 NYIZCWIYRUTEKV-QGZVFWFLSA-N 440.504 2.338 0 1 IEAF O=C1C(=O)N(CCN2CCOCC2)[C@H](c2ccncc2)[C@@H]1C(=O)c1cc2ccccc2o1 100277186 JHYUWFONBPXUGF-NHCUHLMSSA-N 433.464 2.112 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 100678930 UYKWDOHZJVLLMU-OWVDYMSYSA-N 441.963 2.085 0 1 IEAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3[C@H](O)[C@@]21C 504640319 KJPDWMMNIXDJJC-UFLCQEFISA-N 428.529 2.322 0 1 IEAF biogenic Cn1nc(C(=O)O)c(I)c1-c1nc2nc(Br)ccc2[nH]1 587179892 IMNZFBVQOXKAQW-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF COc1ccc(-c2sc(NC(=O)C(C)(C)C)nc2C)cc1S(=O)(=O)NCCO 653724649 ZIAQCNNEFUFRMN-UHFFFAOYSA-N 427.548 2.382 0 1 IEAF CCOc1ccc(CN2CCOCC2)cc1CNC(=O)[C@@H](N)Cc1c(C)cc(O)cc1C 1857598811 NXNOJTGFQQRGQP-QHCPKHFHSA-N 441.572 2.426 0 1 IEAF COC(C)(C)[C@@H](O)COc1c2ccoc2c(OC[C@@H](O)C(C)(C)O)c2oc(=O)ccc12 2356544257 JBURUDZOJCNRNS-CABCVRRESA-N 436.457 2.215 0 1 IEAF CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3ccc(F)c(F)c3)C[C@H](O)[C@H](O)C2)cc1 2356738674 ZTYXOYCGBZCSRS-WKCHPHFGSA-N 441.496 2.039 0 1 IEAF Cc1ccc(-c2nc(C[S@@](=O)CC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1 6577685 KPMVTXOTPXOOSD-HKBQPEDESA-N 439.541 2.346 0 3 IEAF CC1CCN(S(=O)(=O)c2ccc3c(c2)N(CC(=O)NC(C)(C)C)C(=O)CS3)CC1 8604468 BTUHUPRQHHKGHD-UHFFFAOYSA-N 439.603 2.461 0 1 IEAF COc1cccc2c1C[C@]1(C2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@@H](O5)C1=O 13762215 BIEACPWHNAUZTR-MMHGRWJNSA-N 433.504 2.149 0 1 IEAF CC(=O)c1c(O)c(Cc2c(O)c(C(C)=O)c(O)c(C(C)=O)c2O)c(O)c(C(C)=O)c1O 14721974 OQALYYVWRAPBOC-UHFFFAOYSA-N 432.381 2.321 0 1 IEAF biogenic CCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC)Oc1ccccc1 27098340 RWWIHPQCCCEIPW-GUDVDZBRSA-N 434.533 2.402 0 1 IEAF O=C(Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2)c1ccncc1 82204864 NXSXMFPQWFNYEP-UHFFFAOYSA-N 432.267 2.438 0 1 IEAF COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1cnccc1C3=O 84618550 UEYINOMJMNRUGW-UHFFFAOYSA-N 435.480 2.347 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C 95818550 UFUZIZHGCRPPRZ-TXTKFYIRSA-N 443.592 2.243 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NC[C@@H]3CCCC[C@H]3F)C[C@H]3C[C@H]32)c2cnccc12 217657806 SVFBVYGAJMPMKF-KFXXHRTLSA-N 441.507 2.268 0 1 IEAF CO[C@@H]1COC(=O)[C@@H](C)COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)CC=C[C@@H]1C 253947052 KBHPPKYRDDJVFM-VPAKFMSCSA-N 426.506 2.461 0 1 IEAF Cc1c(N2C[C@@H](F)[C@@H]([C@H]3C[C@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 299805966 KCQPEFGWDSFBOO-XCZVWATMSA-N 436.434 2.134 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cnccc4[nH]3)cccc12 586938888 ZFOOBGOJCNAZEE-INIZCTEOSA-N 438.513 2.072 0 1 IEAF COC(=O)c1cc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2cn1 586946412 PVZCHQXVXUFXQU-ZDUSSCGKSA-N 430.486 2.177 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1[C@H]1C[C@H]1C 962043479 KKUPEHMONCGOPA-OHTPHLHXSA-N 435.524 2.075 0 1 IEAF O=C(N[C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc2cc(Oc3ccc(C(F)F)cn3)ccc2n1 1772576236 ZIGFIUQIVSGKSB-IAGOWNOFSA-N 449.435 2.247 0 1 IEAF CCc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)CCCO3)cc1 1772638456 PFKDLBHFBULNCB-RDYNEMLHSA-N 448.943 2.333 0 1 IEAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1cccs1 2356593511 MOPCRIUPXFIAMN-NLWGTHIKSA-N 434.631 2.306 0 1 IEAF CCN1CCC[C@@H]1CNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2 3654971 PYOIPQIQAFYGKX-OAHLLOKOSA-N 430.368 2.121 0 1 IEAF O=C(NCC1CC1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1CC1CC1 95880805 NCIZHWBXTZFEGW-CJTFWIGWSA-N 433.552 2.415 0 1 IEAF OC[C@H](O)[C@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 105488985 DCNOQABWTKMHAI-JCGIZDLHSA-N 435.267 2.023 0 1 IEAF CC(C)Oc1ccc(N2CCC(C3=C4C(=NC(=O)C[C@]4(O)C(F)(F)F)NN3)CC2)nc1 210638751 FOMVMDQPPYKUIP-LJQANCHMSA-N 439.438 2.069 0 1 IEAF O=C(c1c(F)cccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 473179369 HEDNFKMOWILOKK-UBHSHLNASA-N 447.396 2.495 0 1 IEAF O=S(=O)(NC[C@@H]1CCCO1)c1ccc(-c2nc3nc(C(F)(F)F)ncc3[nH]2)cc1 586946757 OVRUSVNRUXNPJG-NSHDSACASA-N 427.408 2.496 0 1 IEAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4c(F)cnc(Br)c4[nH]3)c2N)C1 586956032 YUOLWXMHGPNRKW-UHFFFAOYSA-N 440.298 2.426 0 1 IEAF O=C(c1ccc2[nH]c(-c3ccc(F)c(Br)n3)nc2c1)N1CCN(CCO)CC1 587154673 CUSFSHHSUADLDE-UHFFFAOYSA-N 448.296 2.277 0 1 IEAF COc1cccc(CNS(=O)(=O)c2cnc3ccc(-c4ccc(OC)nc4)nn23)c1 1857647655 QDZJJEGWDJDAHP-UHFFFAOYSA-N 425.470 2.287 0 1 IEAF O=C(O)c1ccc(CN2CCC[C@@H]2c2nc(C3=CN[C](N4CCOCC4)C=C3)no2)cc1 2356836573 QNPCXOMQOJAVNN-LJQANCHMSA-N 436.492 2.427 0 1 IEAF CCn1cc(C(=O)NC[C@@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 4034931 ICMSKBJJXQSAAH-INIZCTEOSA-N 447.557 2.105 0 3 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC 13430435 DARSEBUZHJPBHI-PYDOFHOQSA-N 425.485 2.407 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@H](Cc2cccc(C(=N)N)c2)C(=O)N2CCC(C)CC2)cc1 13782559 COQSTSHBKJCQJR-OAQYLSRUSA-N 442.585 2.427 0 1 IEAF COCCN1CC(=O)N2[C@@H](c3ccc(C(=O)OC)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 15955685 XZZMYTZNLVZKHB-OFNKIYASSA-N 447.491 2.286 0 1 IEAF biogenic CCOC(=O)c1nn2c(O)nc3cc(Cl)c(-n4cnnc4)cc3c2c1C(=O)OCC 29060694 LADOKBFJKGNPCW-UHFFFAOYSA-N 430.808 2.176 0 1 IEAF COc1cccc(OC)c1CNc1ncc(C(=O)NCCNC(C)=O)c(-c2ccco2)n1 82224925 YTXONHDEROXNKK-UHFFFAOYSA-N 439.472 2.232 0 1 IEAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCNC2=O)nc1C1CCCC1 101584693 PVQLKYMMJSZPJU-BXCIFSCBSA-N 439.560 2.104 0 1 IEAF CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962903178 VXXJLSOMSVLXIG-SKPFHBQLSA-N 440.471 2.232 0 1 IEAF CC(=O)O[C@]1(C)CCC[C@@H]2[C@@H]3CCC(=CC(=O)OCCN(C)C)[C@H](C)[C@@H]3C(=O)[C@@H](O)[C@@H]21 2356431090 CGJJTGYWQKZZSF-FXIDKZPESA-N 435.561 2.362 0 1 IEAF C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@H]2[C@H]1O 2356835970 KVXNTVMNDBJOGO-PPXQSMPUSA-N 426.579 2.273 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@@H]1C 2356874578 YXDGJKNDMTVMPB-MLQYWOTLSA-N 431.577 2.288 0 1 IEAF COc1ccccc1OC[C@@H](O)CN1CCC(NC(=O)NC(=O)c2ccccc2)CC1 27983690 ZUORURGDMCWMNG-IBGZPJMESA-N 427.501 2.039 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)N3CCCNCC3)C(C)C)cs2)c1 82082347 SRSOPSSIIVVZME-LJQANCHMSA-N 446.573 2.404 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95847530 HGTBFUICODGLJG-JMERFSKESA-N 445.520 2.375 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1Cc1ccncc1 95869473 WAHFSOJZKGDHSM-OPWAOVGMSA-N 434.540 2.109 0 1 IEAF CO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCCN2C(=O)c3ccccc3S2(=O)=O)[C@@H]1C 100022801 GFPSJLDVWFPVCU-HBTZSIKTSA-N 434.470 2.175 0 1 IEAF O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(CC[C@@H](O)c3cccnc3)ccc1-2 143037016 DKAOVRWVJAWHND-NFBKMPQASA-N 449.507 2.322 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NCCCC(F)(F)F)C[C@H]3C[C@H]32)c2ncccc12 149363822 LYOYKDREEGFPLG-YUELXQCFSA-N 437.422 2.082 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(CCO)cc3[nH]2)C(C)C)cc1 586933227 NWQCZQZHZFKEJH-NRFANRHFSA-N 444.557 2.409 0 1 IEAF CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@@H]4CCCC[C@H]43)n2)s1 618013617 XBHHHWHSSJJQGX-XJKCOSOUSA-N 433.559 2.256 0 1 IEAF COc1cccc([C@@]2(C(O)O)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925055 PLEFUNPPHZBLQA-XUZZJYLKSA-N 437.448 2.346 0 1 IEAF CN1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](NC[C@@H]2CCCO2)CC(C)(C)O3)CC1 22027556 PROIXAIIJMUUGO-UNMCSNQZSA-N 444.620 2.425 0 1 IEAF COc1c(N2CC[C@@H](CN)C2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 28457036 OYGPQDBAELDQBG-LBPRGKRZSA-N 427.432 2.327 0 1 IEAF CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4nnc5cccnn45)c3n2)CC1 95559713 SZZQLORUXBEDRG-UHFFFAOYSA-N 443.437 2.450 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@@H](C)NC[C@@H]1C 95692957 JSRBXIHVEPNVJQ-LRDNONRASA-N 430.505 2.329 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1Cc1ccccn1 95880093 MSLNFNVZJMTGKV-RLBLXZPPSA-N 449.482 2.386 0 1 IEAF COc1ccc2c(c1)c1c(cnn1CC(=O)NCCN(C)C1CCCCC1)c(=O)n2C 96905548 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CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@@H]21 2356837702 LMFYVFCVLXFQLV-NCXUSEDFSA-N 434.470 2.111 0 1 IEAF CC(C)[C@H]1C(=O)N2C(C(=O)OCc3ccccc3)=C(CSc3nnnn3C)S[C@H]12 26376762 PCVZZJWGMJBSKX-WMLDXEAASA-N 431.543 2.445 0 1 IEAF COc1cc(C(=O)OCCCN2CCc3c(C)nc4ncnn4c32)cc(OC)c1OC 28015405 XZUXDJRVQCBMEK-UHFFFAOYSA-N 427.461 2.068 0 1 IEAF O[C@@](CN1CCN(Cc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F 40762295 OTOSENRCMSLVMM-QFIPXVFZSA-N 431.462 2.401 0 1 IEAF CCNC[C@@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@@H](O)[C@H](C)N2)CC1)CC(=O)O 85488163 ISDQYHQHQRYBLE-GJXNANQRSA-N 442.641 2.278 0 1 IEAF biogenic,in-vitro COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(CC1CC1)[C@H](C)CO2 95679769 FUIZAEPQMFWQLL-GSHUGGBRSA-N 447.576 2.488 0 1 IEAF Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 95810147 MEJUTVOAQGGYHA-MIZPHKNDSA-N 443.592 2.243 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@](O)(C(=O)[C@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 100776826 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O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 95677159 UBYVOLAQIVZNTP-HHXXYDBFSA-N 434.443 2.096 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cccnc3)cnc2O[C@H]1CN(C)C(=O)C1CC1 95729019 QZKOBWBUZAMLFO-ZOCZFRKYSA-N 438.528 2.232 0 1 IEAF COc1cnc(C(=O)Nc2cnc(F)c([C@]3(C)C[C@@H](C(F)(F)F)OC(N)=N3)c2)cn1 223539504 JTQMFDWBJLBTFV-ZBEGNZNMSA-N 428.346 2.153 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@@H]4C=C(CO)[C@]23O)c(O)c1 257424789 GGQLLLSSCCXUBL-SRRKVQRXSA-N 432.513 2.333 0 1 IEAF endogenous,in-man N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587186303 UUENUBXXYUOJDQ-LBPRGKRZSA-N 442.282 2.057 0 1 IEAF Cn1c(=O)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O 587574805 CDBYSWOMFUSTIW-KOSHJBKYSA-N 447.447 2.158 0 1 IEAF O=C1CCc2c(cccc2N2CCN(C[C@@H](O)CNCc3ccc(Cl)cc3)CC2)N1 1857546793 FVZTUYZVIFUOJE-IBGZPJMESA-N 428.964 2.497 0 1 IEAF C[C@](O)(CCCCCCCCCCCCC[C@@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@@H]1O)CCC(=O)O 2356448107 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Cn1cc(-c2cc(NS(=O)(=O)CCF)ccc2O[C@@H]2CCOC2)c2cc[nH]c2c1=O 146768640 IVTHHDHMVHZZTA-CQSZACIVSA-N 435.477 2.413 0 1 IEAF O=C(N[C@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc23)c1 148269567 GDAJGNABZPYVMZ-KBPBESRZSA-N 439.451 2.022 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(Cl)cc4)C[C@H]3N2C1=O 169312375 DOFKWVQMIJUKCV-ORDMVQLLSA-N 447.023 2.451 0 1 IEAF Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(C(=O)N3CCN(C)CC3)no2)n1 203005991 CXWSMDNQDBWTSY-UHFFFAOYSA-N 437.508 2.117 0 1 IEAF O=c1cc(-c2ccc3c(c2)OCCO3)[nH]c2c(-c3ccc(N4CCOCC4)nc3)cnn12 653685704 LJMGDMLKCUVFOC-UHFFFAOYSA-N 431.452 2.359 0 1 IEAF Cc1ccnc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 9118733 XTSRHFNURVWBSD-MRXNPFEDSA-N 426.498 2.271 0 3 IEAF O=C(NC1CCCCC1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 206063700 BZJITVLVXVVIKK-YQVWRLOYSA-N 436.350 2.462 0 3 IEAF Cn1cc(C(=O)NOCCO)c(Nc2ccc(Br)cc2F)c(Cl)c1=O 13679338 JPNCXXZQRZRCKS-UHFFFAOYSA-N 434.649 2.338 0 1 IEAF Cc1ccc(S(=O)(=O)C2(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1 21348550 HXPDGPHLKPLJHM-UHFFFAOYSA-N 442.537 2.374 0 1 IEAF CN1CCN(CCn2nc3n(c2=O)-c2ccc(Cl)cc2C(c2ccccc2)=NC3)CC1 27330145 OHSSKCMWGUUDEU-UHFFFAOYSA-N 436.947 2.286 0 1 IEAF O=C(Cc1ccncc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95675262 WUPYLLMMUFNJPD-XJABCFGWSA-N 439.491 2.137 0 1 IEAF O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 95906243 RHJXOCKIMUYHPK-SZVBFZGTSA-N 440.953 2.086 0 1 IEAF COc1cccc(CO[C@@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 104645807 ZXMVZCSEDGEKHM-UYAOXDASSA-N 444.557 2.154 0 1 IEAF CCNc1nc(-c2ccc(S(=O)(=O)CCN3CCCC3)cc2)cc2ncn(C)c(=O)c12 115624081 IOLOITXUEZRKIL-UHFFFAOYSA-N 441.557 2.297 0 1 IEAF O=C(c1ccccc1-n1nccn1)N1CCOC[C@H]1Cc1cc(-n2nccn2)ccc1F 205628720 HVGUQKUDHLWJBC-GOSISDBHSA-N 433.447 2.071 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4C[C@@H]5C[C@H]4CO5)c3F)C2)cc1 261153289 PIMIDOOILRHXMA-OBZTVWKBSA-N 441.507 2.448 0 1 IEAF O=C(O)CCC(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]12 2356599262 SBXZXGHWTXWRSE-DENIHFKCSA-N 433.464 2.373 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@@H](C(C)C)[C@@H](CNS(=O)(=O)C(C)C)C=C2C)CC1 2356813116 CDPBRCUDUTVAOQ-HBMCJLEFSA-N 441.638 2.250 0 1 IEAF COc1ccc([C@H]2[C@@H](C(=O)N3CCN(C=O)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 201458115 TXZRAMQSSDCJBV-GMAHTHKFSA-N 437.496 2.099 0 3 IEAF Nc1c(F)c(N2C[C@H]3C[C@@H]4C[C@@H]4[C@H](N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F 28388849 GVOQBJKQFMZHNR-MPSBSBCBSA-N 448.445 2.263 0 1 IEAF CC[C@@]1(O)C(=O)OCC2=C1C[C@@H]1c3nc4cc(F)c(C)c5c4c(c3CN1C2=O)[C@@H](N)CC5 30690505 DAORZVVXKCFOHD-GXYVPTEVSA-N 437.471 2.410 0 1 IEAF in-man CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cnco1)n2CCC(N)=O 40935209 XMLWBUIPQKVCLK-UHFFFAOYSA-N 432.440 2.429 0 1 IEAF CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C 82165826 XQENOKHKGMFWFY-WIYYLYMNSA-N 444.576 2.175 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C 95691969 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2.329 0 3 IEAF CN1C[C@H]2C[C@@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 71927972 UOUITEHJHGABTE-VXGBXAGGSA-N 430.386 2.394 0 3 IEAF in-vitro Cc1ccc(C)c(N2CCN(C(=O)CCc3nnc4n(C)c(=O)c5ccccc5n34)CC2)c1 8604860 WBXABWPHMWOCPV-UHFFFAOYSA-N 444.539 2.479 0 1 IEAF C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCCN(C)C)cs4)cc3c21 28902325 QWFFPYQWUWLDBV-LLVKDONJSA-N 440.529 2.015 0 1 IEAF O=C(CCCCc1nnc(NC(=O)Cc2ccccc2)s1)NCCN1CCC(O)CC1 95575715 CTBJIWBDUSRRIE-UHFFFAOYSA-N 445.589 2.005 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1ccncc1)c1ccccc1 95880987 GJWKGLTUVJKWGL-DSBSCMLLSA-N 444.535 2.285 0 1 IEAF COc1cccc([C@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c1 100270891 AEDPGIQJHVIABA-MOPGFXCFSA-N 428.510 2.040 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@](O)([C@@H]4O)[C@@H](O)[C@]56O)[C@]3(C)CC[C@]2(C)CC1 104350250 YUCYEVHMFBEBSC-PEMNMPNBSA-N 432.557 2.054 0 1 IEAF in-man Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@@H]3CC[C@H](CO)C3)c2c1=O 143439782 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COc1ccc(CN2CCC[C@]3(N[C@H](c4ccc(C)cc4)[C@@H]4C(=O)N(C)C(=O)[C@@H]43)C2=O)cc1 61921239 LRARQXHLIKCVLI-PIXQIBFHSA-N 447.535 2.440 0 3 IEAF C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)[C@@H](N5CCOCC5)C[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO 13762200 LUXQFIBFTFOCJZ-NAWURPBPSA-N 433.589 2.057 0 1 IEAF O=C1CSc2cc(OC[C@@H](O)CN3CCN(C(=O)c4ccc(F)cc4)CC3)ccc2N1 27524171 WIDNJWUXNYEJOQ-KRWDZBQOSA-N 445.516 2.068 0 1 IEAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@]3(O)CCC(=O)C[C@H]3O)c[nH]c2=O)C1 95586134 JBHMFFSKSHTICZ-XILUFGKISA-N 429.513 2.439 0 1 IEAF O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 95903983 PJLYZSQZMHURAL-PCCBWWKXSA-N 438.590 2.101 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 299877813 HXRHFVMLNUIDPG-KRZXBLKESA-N 426.517 2.115 0 1 IEAF COC(=O)c1ccc2c(c1)NC(=O)[C@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637107 QLMRTSISPRUCDK-HNAYVOBHSA-N 436.342 2.166 0 1 IEAF CO[P@](=O)(CCCCNC(=S)SC[C@H](NC(C)=O)C(=O)O)c1ccccc1 1857650476 OVMBGSWKVCQPHZ-ODCWNRFASA-N 432.504 2.214 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)c1 790293 IFZMBKLJAHITIY-BSIFCXSSSA-N 448.560 2.381 0 1 IEAF COc1cc(NC(=O)N2CCN3C(=O)[C@H](CC4CCCCC4)NC(=O)[C@@H]3C2)cc(OC)c1 4260007 OCGQTWALKJPRQI-PMACEKPBSA-N 444.532 2.217 0 1 IEAF biogenic C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)NCc2ccccn2)cc1Cl)C(F)(F)F 13808759 UTZSWEGCKNIASP-OAHLLOKOSA-N 437.827 2.465 0 1 IEAF C[C@H](c1ccccc1)N1CCN(C[C@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 26575675 MHIUSEYWEDYHLF-CTNGQTDRSA-N 431.544 2.357 0 1 IEAF Cc1ccccc1N1C(=O)[C@H]2C=C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O 95551076 SWDCMYLXRQXNGE-GBESFXJTSA-N 430.464 2.414 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C 95854608 RIHRPLOFFJCHJI-IXFSTUDKSA-N 439.556 2.236 0 1 IEAF COc1ccc2c(c1)[C@]13CCN(CC4CC4)[C@H](C2)[C@]1(O)C[C@H](NC(=O)C(C)C)C(=O)C3 217101669 VRSLCFSDDYLTEB-CLOIUZTFSA-N 426.557 2.208 0 1 IEAF COC(=O)[C@H](OC(C)=O)[C@@]1(O)CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 255207081 DOMCOJUVRVJNNU-BPKRMSOZSA-N 438.561 2.197 0 1 IEAF O=C(C[C@@H]1CC=CCCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@@H](CO)Cc1ccccc1 299814189 GQMAKBNGZMRQOI-BDTNDASRSA-N 442.556 2.377 0 1 IEAF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc(-n5cccn5)c(F)cc4[nH]3)c2N)C1 586955276 NIMDOUFIZUFAGJ-UHFFFAOYSA-N 426.477 2.455 0 1 IEAF Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 61946215 WGPDLCVCGOLGPE-SXWKCWPCSA-N 443.592 2.243 0 3 IEAF CCOC(=O)CN1C(=O)[C@@]2(CC(=O)N(Cc3ccccc3)C2=O)c2cc(Cl)ccc21 14976573 KRFJPSPAMJNADY-JOCHJYFZSA-N 426.856 2.447 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@@H]3c4ccccc4N(C)[C@H]3C2=O)CC1 40411960 ZQYCWXVKNCHKFC-NLSFWIRASA-N 449.555 2.317 0 1 IEAF Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CCO 84758277 JGZOKWRUKQVHKG-DOTOQJQBSA-N 438.500 2.203 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)c2cc(-c3cccnc3)cnc2O[C@H]1CN(C)C(=O)C1CC1 95729004 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963209109 VYXHEJCYJZLZIA-SXWKCWPCSA-N 449.555 2.122 0 1 IEAF COC[C@H](C)Oc1nc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1Cl 1772622899 AUFBODLSRYCLPT-NSHDSACASA-N 435.868 2.228 0 1 IEAF CCCC[C@H](NC(=O)c1ccc(CNC(=O)c2cnn(-c3ccccc3)c2N)cc1)C(N)=O 1857581512 UCQJBXOWNKJRTN-FQEVSTJZSA-N 448.527 2.158 0 1 IEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4[C@@H](C[C@@H](O2)[C@@H]4[C@@H]2C[C@H](C)C(=O)O2)[C@H]3[C@@H]1C 2356420397 YPHURJCNLMUQQJ-HRHUPZLGSA-N 431.485 2.241 0 1 IEAF CC(=O)NCCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 32960684 UMCRTRFXYWZSPP-UHFFFAOYSA-N 436.578 2.316 0 3 IEAF CCN1C[C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@](C)(C1=O)N2C(=O)c1ccc(C)cc1 61949180 QLNAXOHTBPAPGS-SBZFUYPRSA-N 445.519 2.242 0 3 IEAF COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC 1547233 XQWLRAUXZRVNAY-QEEYODRMSA-N 446.452 2.363 0 1 IEAF biogenic NC(=O)C1CCN(S(=O)(=O)c2cc(Br)c(Br)s2)CC1 45316738 CIHJVFHFJZHAQE-UHFFFAOYSA-N 432.159 2.159 0 1 IEAF CCOc1ccc(Cc2cc([C@]34OC[C@](CF)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1 68267566 DRGJFMXQRZCMIH-CUUWFGFTSA-N 438.879 2.334 0 1 IEAF Cc1nc(NCC2CC2)nc(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c1-c1nc2ccccc2s1 84616217 FUNYGYOXBIXUGQ-LRHNDGHRSA-N 441.557 2.398 0 1 IEAF O=C(NCC[C@@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 95904227 FSCPNKZYECBZAT-IHPCNDPISA-N 442.553 2.099 0 1 IEAF COc1ccc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCC(=O)O)CC3)c2=O)cn1 101675198 FYGAMXOBXPHZMN-GASCZTMLSA-N 439.472 2.338 0 1 IEAF CNCCOc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1 138936251 LCOGDCJGRKNDPY-HNNXBMFYSA-N 439.516 2.016 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3c[nH]c(=N)[nH]c-3n2)c1 586931074 UOVASXKBUITALJ-UHFFFAOYSA-N 429.550 2.405 0 1 IEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)OC 587493039 PYDBCULZQKFILV-IRLDBZIGSA-N 445.493 2.381 0 1 IEAF CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356568769 OZVKZCJKXSPBOI-BOTQBTMGSA-N 446.496 2.351 0 1 IEAF CCOC(=O)CNC(=O)[C@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@@H]1c1ccccc1F 4034459 HRIFOWFYQVXRCX-LEWJYISDSA-N 444.459 2.433 0 3 IEAF COc1cc([C@H]2c3cc4c(cc3O[C@@H](NNC(N)=S)[C@@H]2C)OCO4)cc(OC)c1OC 1855321 JUNCLJIIVWLKKX-FDEBGQKISA-N 447.513 2.265 0 1 IEAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1CCN(C(=O)[C@H](C)O)C[C@H]1C(=O)N2 4236062 OXVSMZBFUPNQAH-SGTLLEGYSA-N 443.887 2.002 0 1 IEAF biogenic COc1cc(C(=O)O[C@H]2C[C@H]3C[C@@H](OC(=O)c4cccn4C)[C@@H](C2)N3C)cc(OC)c1O 14590316 FDOGTDAJEOKOQD-CWLKWCNXSA-N 444.484 2.365 0 1 IEAF biogenic CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)O 28109738 XSVWCUOLZFHGBK-VQTJNVASSA-N 428.510 2.299 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccn1 95881317 SWJYPFWGNXQMPG-IQFVJIFQSA-N 444.535 2.162 0 1 IEAF Cc1ccccc1N1C(=O)[C@@H]2C=C[C@@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O 105507448 SWDCMYLXRQXNGE-GUDVDZBRSA-N 430.464 2.002 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 195339147 YGAKRXYRDKCSCD-RYLXDESZSA-N 444.896 2.132 0 1 IEAF C[C@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@H]1F 653755631 DIEMOAODDWNPGF-DOERSZECSA-N 436.438 2.494 0 1 IEAF COCCN1C(=O)[C@H]2C[C@@H](CN2Cc2ccc(S(C)(=O)=O)cc2)Oc2ccccc21 2356392489 DLMWCWPQWRKPHU-FXAWDEMLSA-N 430.526 2.105 0 1 IEAF Cc1ccc(C(=O)O)cc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 8671679 HTJFNLPFRNMUPM-HNNXBMFYSA-N 446.510 2.490 0 3 IEAF C[C@@H]1CC[C@@H]2C(C)(C)[C@H](O)[C@H](O)C[C@]2(C)[C@@]12Cc1c(O)cc3c(c1O2)CN(CCO)C3=O 13367789 PAILZINGRRXKCY-YTWUENCLSA-N 445.556 2.218 0 1 IEAF biogenic CCOCCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@@]2(C)C1=O 15956348 MKWJCDNGDWHGAJ-FATZIPQQSA-N 442.516 2.143 0 1 IEAF biogenic CCOC(=O)Cn1cc(-c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)nn1 95593933 YMHJCWVVEIIHTO-UHFFFAOYSA-N 431.456 2.400 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1CCC(F)(F)F 95880264 CDBSOHAAXUFEAJ-LXXVCCROSA-N 439.478 2.324 0 1 IEAF CN1CCN(CCNc2ccc3ncc(-c4cnc(Nc5ncccc5F)nc4)n3n2)CC1 146143494 FOKYQBPPTCMXFQ-UHFFFAOYSA-N 448.510 2.123 0 1 IEAF CCc1cc(=O)nc(CN2CC[C@H](N3CCC(C(=O)c4ccc(OC)cc4)CC3)C2=O)[nH]1 207770345 DEGIMKQHUITSSN-FQEVSTJZSA-N 438.528 2.037 0 1 IEAF COc1n[nH]c2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12 261130680 LBCSLEXENLQMKQ-UHFFFAOYSA-N 436.516 2.484 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccnc(Br)c3[nH]2)[C@H](C)O)cc1 586936176 HUAJSZGGDPWOQP-ZANVPECISA-N 441.307 2.129 0 1 IEAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)nc2cc1F 586956960 MEKLCIKLCUGEAL-UHFFFAOYSA-N 432.477 2.230 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 587757565 OSTSFGLARHJGDK-SBKAZYGRSA-N 449.324 2.275 0 1 IEAF Cc1nn(C)cc1NC(=O)CN1CC[C@H]2NC(=O)COc3ccccc3CCCC[C@@H]2C1 618017150 GVBHLNHJIZZOBT-WOJBJXKFSA-N 439.560 2.279 0 1 IEAF Cn1c(=O)c(NC(=O)/C=C/c2ccccc2)cc2cnc(NCCN3CCOCC3)cc21 653916086 YNRSCCCMQIYOHD-BQYQJAHWSA-N 433.512 2.330 0 1 IEAF CCOC(=O)CCNC(=O)[C@@H](Cc1ccc(-c2ccccc2)cc1)NCP(=O)(O)O 13734529 WVIZSLNWTBWTFE-LJQANCHMSA-N 434.429 2.059 0 1 IEAF COc1cccc(N2C(=O)N[C@H]3CCN(C(=O)CC4(CC(=O)O)CCCC4)[C@@H]3C2=O)c1 25412401 JJVJTEYHSOIKIU-LPHOPBHVSA-N 429.473 2.146 0 1 IEAF biogenic CS(=O)(=O)Nc1ccc(OC[C@@H](O)CN2CCN(c3ccc(Cl)cc3)CC2)cc1 33853083 VDICSHQGASSQTF-IBGZPJMESA-N 439.965 2.273 0 1 IEAF CN1C[C@](C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)CCC(=O)O)ccc21 40954081 UTTIMXNRMSCOLR-JOCHJYFZSA-N 426.473 2.440 0 1 IEAF NCCCC[C@H]1NC(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C1=O 71318706 YIBYDZHWHLMWIA-DNVFCKCGSA-N 446.507 2.367 0 1 IEAF COc1ccc(-c2cc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cnc2N)cn1 95577964 QJQHDPHQHXMLON-UHFFFAOYSA-N 426.498 2.422 0 1 IEAF O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@H]1CO 95675834 PBAPATWUXUNVNP-QRVBRYPASA-N 439.940 2.303 0 1 IEAF CNC(=O)C1(N)CCN(c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1 205256216 KQTDCSHMLHQAHE-UHFFFAOYSA-N 428.500 2.126 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cncn3)c2)c1 205651150 PUZJVVRRRYQHLK-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@@H]45)[C@H]3C2=O)CC1 253761297 VMZGYYIBHIORNR-UALGEBADSA-N 447.535 2.240 0 1 IEAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1ccccc1 2356286200 ZYQITKGERHHTCD-VWPQPMDRSA-N 428.602 2.245 0 1 IEAF O=C1NC(=O)[C@H](Cc2ccc(N3CCC(NC[C@H](O)c4cccnc4)CC3)cc2)S1 27855166 AWMGTFQYJPFJJO-PMACEKPBSA-N 426.542 2.268 0 1 IEAF O=C(N[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5)c1ccccn1 40913837 NHRWXABMYGAAGY-HFPFUKKDSA-N 447.535 2.150 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@@H]3c4ccccc4O[C@@H]3C2=O)CC1 40938264 RNPHYHTVIULEDY-HVETUWLQSA-N 436.512 2.260 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)C1CC1)CC31CN(C(=O)c2ccncc2)C1 95666096 PQJXGUHOZSBWAV-HXUWFJFHSA-N 446.507 2.251 0 1 IEAF CCCN(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@H](C)CO)C[C@@H]1C 95730010 VOHJMOFYJWWAOA-FVJLSDCUSA-N 448.589 2.254 0 1 IEAF COc1ccc(CO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cn(C)cn2)c1 138432466 JHCPKOSEZCCFFB-UHFFFAOYSA-N 440.485 2.409 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCCO1 169697025 HZQQJAKATKCPDP-JQVVWYNYSA-N 428.577 2.383 0 1 IEAF CC(C)Oc1ccc(N2CCC(C3=C4C(=NC(=O)C[C@@]4(O)C(F)(F)F)NN3)CC2)nc1 210638780 FOMVMDQPPYKUIP-IBGZPJMESA-N 439.438 2.069 0 1 IEAF COc1ccc(-n2c(N)c([C@@H]3N[C@H](C)Cc4c(OC)ccc(OC)c43)c(O)nc2=O)cc1 963605931 HLYRUCCYYPLJAI-MPBGBICISA-N 438.484 2.170 0 1 IEAF CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3OCC(=O)O)CC2)cc1 1772621277 VYTSYFCVLUOARG-UHFFFAOYSA-N 434.514 2.448 0 1 IEAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@]1(O)CCCc2cnccc21 1772632433 MGVZEQMHPKOVRP-NZQKXSOJSA-N 442.947 2.025 0 1 IEAF Cc1cc(C)cc(SCc2noc(C(=O)NCCN(C)C)c2C(=O)NCCN(C)C)c1 12726148 UJALWRLNMDPCID-UHFFFAOYSA-N 447.605 2.167 0 3 IEAF O=C(O)c1cc(C(O)(c2ccc(O)c(C(=O)O)c2)c2ccc(O)c(C(=O)O)c2)ccc1O 27092379 HLOZTRLQBMUCQJ-UHFFFAOYSA-N 440.360 2.182 0 1 IEAF CCN1C(=O)[C@@H]2[C@@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 40938399 UJWIAPHNKMQZCP-OHFALNGGSA-N 432.322 2.148 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC(=O)N([C@H](C)CO)C[C@@H]1C 95854593 SFMSPGMXXHPKHG-IYOUNJFTSA-N 445.482 2.336 0 1 IEAF C1=CC(c2noc([C@@H]3CCCN3Cc3ccc4c(c3)OCO4)n2)=C[C](N2CCOCC2)N1 2356870885 GPNZHXDDHNLFLI-SFHVURJKSA-N 436.492 2.457 0 1 IEAF C[C@@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1ccccc1 61930856 LAOMGWDKLGPSIR-FQEVSTJZSA-N 438.452 2.327 0 3 IEAF CC(=O)c1ccc(Nc2nc3cc(C(=O)N4CCC[C@H]4C(N)=O)ccc3n2CCCO)cc1 82191249 LGEBMUWEENBKQM-NRFANRHFSA-N 449.511 2.455 0 1 IEAF O=C(c1ccc2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CC[C@H](O)C2)C1 144807090 YTXXGMPZAVDWEG-OYHNWAKOSA-N 446.425 2.130 0 1 IEAF C[C@H](Nc1nc(N)nc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1ccc(N)nc1 220874790 XBKXXCJHWINRBS-VIFPVBQESA-N 448.878 2.015 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2cc3c(cc2[nH]1)CCC(=O)N3 587181452 QZKRABURFDWAMK-UHFFFAOYSA-N 437.197 2.151 0 1 IEAF Cn1c(=O)c2cc([C@@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O 587574808 CDBYSWOMFUSTIW-MHECFPHRSA-N 447.447 2.158 0 1 IEAF CC[C@H]1Cc2cc(OCCN3CCOCC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857656517 AUHUKQYWQXJXLR-INIZCTEOSA-N 428.485 2.440 0 1 IEAF COc1ccccc1CNC(=O)[C@@H]1CN2CC[C@H]1C[C@@H]2Cn1cc(-c2ccccn2)nn1 2356318284 DCIGRLJGOXTKHV-DFQSSKMNSA-N 432.528 2.376 0 1 IEAF CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 2356722097 YBADDKHQARQTBB-DVWBAYGPSA-N 447.576 2.222 0 1 IEAF CCOP(=O)(OCC)C(=O)OC[C@@H]1O[C@H](n2ccc(NC(C)=O)nc2=O)CS1 26278158 BXABQRNUCDYXOX-QWHCGFSZSA-N 435.395 2.193 0 1 IEAF C[C@@H]1CN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N4CC[C@H](CCO)C4)n3)cc2)CCO1 115626556 DVXWAAGJFLWIKP-QZTJIDSGSA-N 449.555 2.429 0 1 IEAF COC(=O)c1cnc(N2CCN(c3nnc([C@@H](O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 146175148 UYIXVHMWXHJLMV-QRQCRPRQSA-N 448.527 2.467 0 1 IEAF O=C(Nc1ccc(C2=CCN(C(=O)[C@H]3COCCO3)CC2)nc1)N1Cc2ccncc2C1 167059849 VYNOJXCQZAKVHM-OAQYLSRUSA-N 435.484 2.055 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)CC1 195125256 VMZGYYIBHIORNR-DVBWKPSCSA-N 447.535 2.240 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OCCCO4)[C@@H](C)O)cc1 586938289 WFAIJMDFBCURQN-BLVKFPJESA-N 433.486 2.133 0 1 IEAF CC(=O)c1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 586955790 MWTOOKOKUNSZDS-UHFFFAOYSA-N 447.561 2.079 0 1 IEAF Cc1ccnc([C@@]2(c3ccc(F)c(F)c3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963218356 RQTVXZFZIDYOFD-JXQFQVJHSA-N 449.461 2.441 0 1 IEAF NC(=O)c1cnc2c(C(=O)Nc3cc(Cl)ccc3O[C@H]3CC[C@@H](O)CC3)cnn2c1 1772619395 HJPCIYPEMPYOJT-OKILXGFUSA-N 429.864 2.416 0 1 IEAF CC[C@H](O)CNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 2491686 QWMSWOCHELDBTL-FPOVZHCZSA-N 447.576 2.018 0 1 IEAF COC(=O)CCCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196285 JQPWUBGVDQLQLF-UHFFFAOYSA-N 428.514 2.142 0 1 IEAF Cc1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)CC(=O)N4[C@H]3CO)cc2)c1 95661239 FAEZEZMAIFLOTA-GPXNEJASSA-N 428.492 2.263 0 1 IEAF O=c1ccn(COCCCS(=O)(=O)CC(c2ccccc2)c2ccccc2)c(=O)[nH]1 96172717 IEEYRHWGGQRLPM-UHFFFAOYSA-N 428.510 2.148 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCc4ccccc4C3)[C@H]2N1CC 100142393 SCCGZMIGIRUPAJ-BYYZYODDSA-N 433.552 2.450 0 1 IEAF COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccno5)C4)c3C2)cc1C 113583769 DKZCDPMVVIEZFX-INIZCTEOSA-N 436.472 2.033 0 1 IEAF CC(=O)N1CCN(c2ncc(CN(CC(C)C)S(=O)(=O)Cc3ccccc3)cn2)CC1 147250992 IBAWSAUNVLSMPU-UHFFFAOYSA-N 445.589 2.133 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(OCc4ccccc4Cl)nc23)N1 205026029 RGTWCVSQYHMPKJ-AUWJEWJLSA-N 425.836 2.111 0 1 IEAF CC(=O)O[C@@H]1[C@@H](OC(=O)C(C)C)[C@H](OC(=O)CCCCCCC(C)C)[C@@H](CO)O[C@H]1O 238782030 NGAMOCQRJKYUCR-QKYBYQKWSA-N 446.537 2.104 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@@H](C)O 299887037 YFGHLJOXLFMJBE-SZVBFZGTSA-N 435.590 2.481 0 1 IEAF O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1ccc(C(F)(F)F)n[nH]1)C2 473170808 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13776107 HKTFAZNSYXVZNN-SFHVURJKSA-N 435.484 2.246 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc2c(c1)N[C@@H]1C=CC=C[C@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27216242 RFXILZMBDGHUBF-LNLBWQKPSA-N 443.569 2.435 0 1 IEAF CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 82209263 SXKIEQXOQLHZBE-IBGZPJMESA-N 439.560 2.495 0 1 IEAF Cc1cccc(-c2ccc([C@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 95665352 FAEZEZMAIFLOTA-WPFOTENUSA-N 428.492 2.263 0 1 IEAF CCOCC[C@]1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)[C@H](N)C1=O 101013249 BGEFVHSKSARWDE-DYESRHJHSA-N 432.860 2.229 0 1 IEAF CCOC(=O)N1CCC(CN2CCC3(CC2)CN(S(C)(=O)=O)c2ncccc23)CC1 169349358 UVXUYONHJCGLGM-UHFFFAOYSA-N 436.578 2.063 0 1 IEAF COc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-c1ncon1 205628757 HUPRZYCCDOZRQO-QGZVFWFLSA-N 446.467 2.410 0 1 IEAF C/C=C1/CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1OC(C)=O 238787538 DCBUJUCXJASOBN-XBRXIVDSSA-N 436.508 2.187 0 1 IEAF C[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1)c1ccc(Cl)cc1 1772646359 ANWDWFXJZOHHSE-ZDUSSCGKSA-N 440.939 2.277 0 1 IEAF CC(=O)N[C@H](C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](C)c1ccc(C2CC2)cc1)C(C)(C)C 1857543964 CFQQOSHEPDRZSL-MYDCNYLUSA-N 429.561 2.254 0 1 IEAF O=C(Nc1cc(F)c(F)c(F)c1)c1cc(S(=O)(=O)N2CCC(O)CC2)ccc1O 1857598794 LEAWGGDJFLXVLQ-UHFFFAOYSA-N 430.404 2.207 0 1 IEAF COc1cc([C@@H]2[C@@H](O)N(C)C(=O)[C@@]23CCCN3)c(Br)cc1Br 13312489 ZNKJMNWJZBGNNZ-UMVBOHGHSA-N 434.128 2.216 0 1 IEAF biogenic CC(C)C[C@H](NC(=O)COc1ccc(C2CCCC2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819257 UNPCCXYBLKSDAQ-YDHSSHFGSA-N 432.517 2.004 0 1 IEAF CCOC(=O)C[C@@H](NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC 40380557 IZIFVKYBHZRSNF-IAGOWNOFSA-N 426.469 2.208 0 1 IEAF O=C1NC(=O)[C@@](CN2Cc3cc(OCc4ccncc4)ccc3C2=O)(c2ccc(F)cc2)N1 49070770 KUGLIACWEJGELJ-XMMPIXPASA-N 446.438 2.490 0 1 IEAF CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCCC1 95864492 DLLWVPKYNFDMKH-KRXUUXHPSA-N 425.504 2.307 0 1 IEAF CN1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCCc1ccccc1 95881269 GREICYGZNILNNR-YQIMAOPZSA-N 443.547 2.468 0 1 IEAF COc1ccc(N/C(=C\[N+](=O)[O-])N[C@H]2CCCCN(CC(=O)N3CCCC3)C2=O)cc1C 101031942 GBKMORHVBFZYLE-OFBHVFLISA-N 445.520 2.084 0 1 IEAF COC(=O)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3c2c(=O)n(C)c(=O)n3C)cc1 104084431 BRIMKIDJGFBRBL-MRXNPFEDSA-N 429.432 2.420 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@H]3c4ccccc4N[C@@H]3C2=O)CC1 169290309 GZRHSNKERQYZPU-SSKFGXFMSA-N 435.528 2.293 0 1 IEAF COc1ccc([C@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1 205032390 JLPLVKRLRGSRQO-RCEBRVLHSA-N 434.460 2.061 0 1 IEAF Cc1ccc(C[C@@H]2COCCN2C(=O)c2ccccc2-n2nccn2)cc1-n1nccn1 205633162 XLQIWSDYHVBNIH-LJQANCHMSA-N 429.484 2.240 0 1 IEAF C[C@@H]1COC[C@@H](Cc2cccc(-n3nccn3)c2)N1C(=O)c1ccccc1-n1nccn1 205637073 MLWGTDLBQDBZDR-YLJYHZDGSA-N 429.484 2.320 0 1 IEAF C[C@H]1C(=O)N(Cc2ccc(OCCN3CCOCC3)cc2)[C@@]1(Cc1ccccc1)C(=O)O 210187894 INQONUZORXTJKZ-UQBPGWFLSA-N 438.524 2.442 0 1 IEAF COCC(=O)N1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1 225574224 VSSGLTRYFDOTEF-UHFFFAOYSA-N 428.468 2.241 0 1 IEAF Cn1nc(-c2nc3cc4c(cc3[nH]2)OCCCO4)c(I)c1C(=O)O 587180679 JNYSATNPUICWPA-UHFFFAOYSA-N 440.197 2.428 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2c(Br)nccc2[nH]1 587180709 XOWOAMFRUQEUSM-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF COCCN(CCOC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@H]2[C@H]1O 2356611585 BSTGTQFYSYMEHS-LOAVTWKMSA-N 426.598 2.072 0 1 IEAF C[C@@H]1[C@@H](c2ccc(OCO)c(OCO)c2)O[C@@H](c2ccc(OCO)c(OCO)c2)[C@H]1C 2356628117 HDENUUQCMLFGHC-GKHNXXNSSA-N 436.457 2.086 0 1 IEAF C[C@H](C(=O)NCc1ccccn1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@@H]2[C@@H]1O 2356860127 UCBAQLIELUYKDX-UTYBRGGASA-N 437.606 2.075 0 1 IEAF Cc1c(N2C[C@@H](F)[C@@H]([C@H]3C[C@@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 28384136 KCQPEFGWDSFBOO-FJPLXSFSSA-N 436.434 2.134 0 1 IEAF CC(C)Oc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O 29479857 CYLMNDUCCYHCPN-UHFFFAOYSA-N 431.499 2.344 0 1 IEAF CCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1 66074637 NKWXZHKUISDXIN-CUWKQTPXSA-N 431.963 2.014 0 1 IEAF CCOC(=O)Cn1cc(C(=O)Nc2cccc(-c3cn(Cc4ccccc4)nn3)c2)nn1 95595642 LUBVHWYQWUSSCT-UHFFFAOYSA-N 431.456 2.400 0 1 IEAF NS(=O)(=O)c1cccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c12 586954000 XFPPTHYQFUFMAX-UHFFFAOYSA-N 435.512 2.135 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3cnn(Cc4ccccc4)c3Cl)N2C(=O)[C@@H]2CCCN12 963225948 WJRXQAKWUKPJTG-JENIJYKNSA-N 436.903 2.155 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@H]2Cc2cnn(-c3ccc(F)cn3)c2)c1 1772603487 NCKZYCBDYGDFRC-NRFANRHFSA-N 433.447 2.337 0 1 IEAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](N(Cc2ccco2)Cc2ccco2)[C@H]1O 2356850027 PZQFXVGUDXULID-SJSRKZJXSA-N 439.512 2.298 0 1 IEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(Cl)c4c(cc3nc2-1)OCO4 586522 AQSRKNJFNKOMDG-OAQYLSRUSA-N 426.812 2.462 0 1 IEAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@@H](O)CO)c(OC)c1OC 773820 LKRFDHLJJCOJRY-CQSZACIVSA-N 446.431 2.257 0 1 IEAF CN(C)c1ccc(C2=NO[C@@H](c3ccsc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 4040848 VMUNJBHXPJXQGS-CTNGQTDRSA-N 428.558 2.354 0 1 IEAF O=C(Cc1ccccn1)N[C@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@H]1CO 95797183 PETJRAXOHATFKA-ONTIZHBOSA-N 439.491 2.137 0 1 IEAF CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95891572 GZEDAVZGEAHBCV-IMFGXOCKSA-N 444.532 2.125 0 1 IEAF CCCNC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@H](CO)O1 95899918 YCXJMJHOMLCSIN-OFYLTFBOSA-N 439.512 2.174 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3C=C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)cc1 102915037 NSKRXGIBHQDJKC-SLFFLAALSA-N 430.464 2.002 0 1 IEAF O=C(NCCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)OCc1ccccc1 587228647 VRFJLZIRXKJVJQ-UHFFFAOYSA-N 444.513 2.053 0 1 IEAF COc1c([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)ccc(F)c1Br 963207422 QGPCADJEBVHWAY-XEZPLFJOSA-N 449.280 2.167 0 1 IEAF NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CC[C@H](C(=O)O)C2 1772574118 GNOVYNCNQYWVCZ-HNNXBMFYSA-N 443.525 2.121 0 1 IEAF COC(=O)C=C[C@H](O)[C@H](O)CCC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@@H](CC(C)C)NC(=O)[C@@]12O 2356710909 YUXUTEAAGHFKKH-QUUGFISBSA-N 449.588 2.268 0 1 IEAF N[C@H]1C[C@H](CF)N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 29390781 RXTFUHOSQJMRKV-WDEREUQCSA-N 436.365 2.377 0 1 IEAF CNc1sc(C)nc1-c1ccc(CCN2CCN(CC(=O)CNC(C)=O)CC2)cc1 40913392 RWXWAEKTXXLIKI-UHFFFAOYSA-N 429.590 2.026 0 1 IEAF CCN1[C@H](C(=O)NC2CCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]21 95880637 YWZAVHYSAQFQPS-RLBLXZPPSA-N 437.540 2.176 0 1 IEAF CC1=C(c2ccc3nc(COc4ccc(S(=O)(=O)N(C)C)cc4)[nH]c3c2)NNC(=O)C1 586931891 OMGODKVJRQEART-UHFFFAOYSA-N 441.513 2.148 0 1 IEAF CCc1ccc2nc(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)[nH]c2c1 586954980 CBVYXRPGIINNGL-UHFFFAOYSA-N 433.578 2.438 0 1 IEAF O=C(c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1)N1CCN(CCO)CC1 587177368 GGETVJJQVHMUMW-UHFFFAOYSA-N 438.507 2.114 0 1 IEAF CS(=O)(=O)c1ccc([C@@]2(CO)N[C@@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962698413 HGPALZZWDZQUKT-SJLPKXTDSA-N 447.406 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NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccccc2)cc1 1857603268 CCCROWRPYAZVBI-UHFFFAOYSA-N 428.539 2.376 0 1 IEAF COC(=O)C1=C(C)N=C(C)C(=C(O)OC)[C@@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 1857623221 YFQAWMHNJIJEKU-YUNKPMOVSA-N 442.468 2.461 0 1 IEAF CC1(C)O[C@@H]2C[C@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@@]5(C)[C@@H]4[C@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 8035399 XSFJVAJPIHIPKU-WEHAQSKHSA-N 434.504 2.275 0 1 IEAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCc5ccccn5)CO[C@H]34)n2)cc1 36369410 SUXMKFZIAUZZMS-WBADGQHESA-N 432.528 2.341 0 1 IEAF biogenic CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3c(n2)[C@@](C)(CO)OC3)cc1 71316113 GHEIKGPPFOPOIX-RCDICMHDSA-N 427.505 2.248 0 1 IEAF CC[C@@H](C)Nc1ncc(C(=O)NCCNC(C)=O)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144889 REVNJWINQNQAOJ-CYBMUJFWSA-N 445.520 2.246 0 1 IEAF C[C@@H]1C(N)=N[C@](C)(c2cc(NC(=O)c3[nH]ncc3Cl)ccc2F)CCS1(=O)=O 201832094 RUSLANSLCKIVII-XLFHBGCDSA-N 427.889 2.234 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O 299882292 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NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@H]1Nc1nc(Nc2cnn(C3CCNCC3)c2)ncc1Cl 84690680 RAVOJQLJGOGZMT-FCLUMBPUSA-N 428.928 2.083 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@@H]1C 95693342 JSRBXIHVEPNVJQ-YRVVQQKDSA-N 430.505 2.329 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95795639 YTXOATAQUYUYJS-XJUOHMSHSA-N 432.455 2.094 0 1 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795903 QMVYBQNWUZQTJV-WPFOTENUSA-N 438.499 2.417 0 1 IEAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95797259 OMZRRYJSGQRHIY-KPFFTGBYSA-N 429.517 2.284 0 1 IEAF O=C(Nc1ccc(C(=O)N2CCN(CCOCCO)CC2)cc1)N1Cc2ccccc2C1 166190299 JYQKTESXFJOXLZ-UHFFFAOYSA-N 438.528 2.001 0 1 IEAF CNCCOC(=O)/C=C1\CC[C@@H]2[C@@H](C(=O)C[C@H]3[C@@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C 238751782 QXVLIRIYIXSOMI-KYSPQOBTSA-N 435.561 2.267 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587762640 YTMMRSXEJCTCJJ-MGNBDDOMSA-N 427.270 2.082 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2cccs2)N[C@H](c2cccs2)[C@H](C(=O)OCC)S1(=O)=O 653779673 INIOCTHVKZPQOK-GEEKYZPCSA-N 443.568 2.473 0 1 IEAF CN1C(=O)COc2ccc([C@]3(CCC(=O)O)NC[C@@H]4CC(=O)N(C)c5cccc3c54)cc21 963016770 CCJSQYPZFOCHIK-BSEYFRJRSA-N 435.480 2.204 0 1 IEAF C[C@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ncc3cccnc3n2)C1 1772617163 WXTZNPZPQRYOSN-CYBMUJFWSA-N 448.487 2.046 0 1 IEAF CC(C)C[C@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2356532387 XIIBSDVOMUVKRA-QHXAMGISSA-N 440.500 2.207 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)cc1 2046801 PMAVBGMUJOOBHN-FQEVSTJZSA-N 428.558 2.181 0 1 IEAF in-vitro CCOCCCNC(=O)[C@@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 15956349 MKWJCDNGDWHGAJ-QKFKETGDSA-N 442.516 2.143 0 1 IEAF biogenic COc1cc([C@H]2c3cc4c(cc3O[C@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC 17249920 YHXBZXBIGHSHTP-NNMXDRDESA-N 430.409 2.481 0 1 IEAF O=C(C1CCN(Cc2ccncc2)CC1)N1CCC2(CC1)C(=O)NCN2c1ccccc1 58583212 HTGDDNXHBUCALC-UHFFFAOYSA-N 433.556 2.249 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@@H]1C 95599334 MUAQGGJYISSHLV-CKJXQJPGSA-N 433.549 2.145 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C(C)=O)O2 95710682 UUOCJBRUULBREA-PONJGIIJSA-N 441.528 2.456 0 1 IEAF Cc1cccc(Cl)c1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205025939 OKCXSDIOWHVHRP-CHHVJCJISA-N 438.879 2.453 0 1 IEAF NC[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1 206937830 VCQXACIYKXUTSF-INIZCTEOSA-N 448.453 2.170 0 1 IEAF O=C(c1ccccc1CN1CCOCC1)N1CC[C@@]2(C1)CN(c1ccccc1)C(=O)CO2 618017049 WQCKUBWJMAXERV-RUZDIDTESA-N 435.524 2.167 0 1 IEAF O=C1CCc2c(cccc2N2CCN(C[C@H](O)CNCc3ccc(Cl)cc3)CC2)N1 1857546794 FVZTUYZVIFUOJE-LJQANCHMSA-N 428.964 2.497 0 1 IEAF Nc1nc(N2CCN(Cc3cnc4ccccc4c3)CC2)nc2nc(-c3ccco3)nn12 13581822 XYTFWOCEJXZMBY-UHFFFAOYSA-N 427.472 2.232 0 1 IEAF CC(=O)O[C@H]1[C@H](OC(=O)c2ccccc2)[C@H]2C[C@@]3(OC2(C)C)[C@@H](C)CC[C@@H](O)[C@]13CO 38321799 DTMIMKTZETWDJV-DUUKBJRLSA-N 432.513 2.481 0 1 IEAF biogenic,in-vitro CO[C@@H]1COCC[C@@H]1N[C@@H]1CC[C@@](C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)C)(C(C)C)C1 66136425 GXIMVYWMBGVDMB-DQYLCSNOSA-N 449.636 2.433 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1)c1ccccc1 95880984 GJWKGLTUVJKWGL-VUHBYISFSA-N 444.535 2.285 0 1 IEAF CS(=O)(=O)c1cncc(CNC(=O)c2cncc3c2cnn3-c2ccc(F)cc2)c1 114107755 LCQJTLWUTZOTAZ-UHFFFAOYSA-N 425.445 2.288 0 1 IEAF C[C@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 169370813 JXBYZKQDZBIQDJ-JZMNIWPWSA-N 439.556 2.367 0 1 IEAF Cn1nnc(Br)c1[C@@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963131649 AOEVSJUOHVWERW-DTWKUNHWSA-N 444.311 2.370 0 1 IEAF Cc1nc(-c2cccnc2)sc1[C@@]1(C)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215611 BTBONMHYTVULDF-PONJGIIJSA-N 434.525 2.258 0 1 IEAF CN(C(=O)c1ccno1)[C@@H](CC1CCCCC1)C(=O)NCc1ccccc1CC(N)=O 1911583945 NZWKBOHADPBHHZ-IBGZPJMESA-N 426.517 2.430 0 1 IEAF COCCN(CCOC)C(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(C)=O)[C@H](C)[C@@H]2[C@@H]1O 2356611586 BSTGTQFYSYMEHS-UWUXZQMASA-N 426.598 2.072 0 1 IEAF CC(=O)OC[C@H]1O[C@H](O[C@]2(C)C=C[C@@H](C(C)C)CCC(C)=CCC2)[C@@H](O)[C@H](O)[C@H]1O 2356622799 MQIPEAYACPPTOK-BPYYJIIVSA-N 426.550 2.481 0 1 IEAF CCCCC=CCCCCCCCCCCOC[C@H](O)CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 2356795404 LZBKVGIBSWELEF-FSDTYVLISA-N 446.625 2.464 0 1 IEAF COc1ccc(CNC(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1 9677383 KAUMXINSTHDQAR-UHFFFAOYSA-N 446.554 2.417 0 3 IEAF O=C([C@@H](O)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 95599725 KXSNKQKCASSXTN-KRWDZBQOSA-N 428.432 2.272 0 3 IEAF COc1cccc(Cn2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)c1 4238560 LWTWOXFSTFQFHW-UHFFFAOYSA-N 446.486 2.459 0 1 IEAF COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc(C(=O)O)cc2)CCO1 27708291 ZQCPUKBNIDMQAR-HNNXBMFYSA-N 433.892 2.260 0 1 IEAF COc1ccc(CNc2nc(NC[C@@H](O)CO)nc3cc(OC)c(OC)cc23)cc1OC 82136638 HZGKKXQXKKNJLE-CQSZACIVSA-N 444.488 2.041 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C 95861370 SFMSPGMXXHPKHG-QWQRMKEZSA-N 445.482 2.336 0 1 IEAF O=C([C@@H]1N[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@H]1CO)N1CCc2ccccc2C1 95878898 UXRHFLRTSFYLTF-CJTFWIGWSA-N 431.536 2.252 0 1 IEAF CCCc1cn(C2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)nn1 169353796 WUQDGFCLOBDUSB-NRFANRHFSA-N 431.491 2.325 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 253696653 OLRJWQJNJDEKHM-XYNCURNNSA-N 443.979 2.309 0 1 IEAF C[C@]1([C@H]2CC[C@H](N)C2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963666336 KPKCSXQLUANTGG-DFIXCVQYSA-N 437.540 2.143 0 1 IEAF CCc1nccc([C@H]2c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)n1 963706033 TVMOFFNZRGABDI-IEIRFRATSA-N 446.507 2.242 0 1 IEAF COc1cc(C(=O)[C@@H]2COC[C@@]2(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356745517 HKVASQZMEAEGTN-HJPURHCSSA-N 430.453 2.492 0 1 IEAF N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1 15956076 VLUBABAGEKOXMU-IRLDBZIGSA-N 448.523 2.218 0 1 IEAF biogenic COCC(=O)N1CCN(c2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)CC1 82118347 WGNMIOYEHNLHIL-UHFFFAOYSA-N 441.488 2.147 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)cc1 95675540 DVYXTDYPIFUIBC-HBMCJLEFSA-N 430.476 2.179 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)cc1 95675546 DVYXTDYPIFUIBC-PWRODBHTSA-N 430.476 2.179 0 1 IEAF COCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(CC1CC1)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95693218 MDBZRSBKDCCZHT-JLHGSKIFSA-N 447.576 2.488 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2C)c1ccccc1 95880860 DLQLDMLKKPQOHY-UYUJXXBBSA-N 444.535 2.381 0 1 IEAF O=C(Nc1ccccc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO 95905477 QZSZBTGLPLZCGV-QYZOEREBSA-N 429.521 2.160 0 1 IEAF C=Cc1c(C)nn(CCCN2CCN(C(=O)c3ccc(Cl)c(F)c3)CC2)c(=O)c1N 473112237 BOEQELJSNYRHED-UHFFFAOYSA-N 433.915 2.418 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CCN1C(=O)NC(C)(C)C1=O 587870018 SKLLCTFLJCWKCI-UHFFFAOYSA-N 425.367 2.333 0 1 IEAF Cc1cc(-c2nc3cc(S(=O)(=O)N(C)C)cnc3n2Cc2ccccc2)cn(C)c1=O 1772576349 NZTUGGCQTGSXPM-UHFFFAOYSA-N 437.525 2.404 0 1 IEAF CC(=O)O[C@@H]1C[C@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@]2(C)[C@H](O)CC(=O)OC(C)(C)[C@@H]12 2356322902 DCBOVTYJTWXJGH-QOLFHZNLSA-N 434.485 2.302 0 1 IEAF CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@H]2CN(C(=O)NC3CCCCC3)CCN21 2356514964 SYGJWSQGXZJPSQ-LJQANCHMSA-N 434.606 2.498 0 1 IEAF CCN1C(=O)c2c(nc(C(=O)NC)n2Cc2ccc(O)c(Cl)c2)N2C1=N[C@@H]1CCC[C@@H]12 28264373 FTOJUJFKGZQBQW-KGLIPLIRSA-N 442.907 2.223 0 1 IEAF CN(C)C(=O)C(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 28979477 IUROSUCXNYXOFM-UHFFFAOYSA-N 436.443 2.287 0 1 IEAF COC(=O)CC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196015 NXBAHIVBIYZASD-UHFFFAOYSA-N 426.395 2.002 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)c1 95810154 MEJUTVOAQGGYHA-VIZSFHNOSA-N 443.592 2.243 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1)c1ccccc1 95879113 UYRQGRGNSINDSR-LMPPXLDFSA-N 449.551 2.406 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NC2Cc3ccccc3C2)[C@@H]1CO 100142473 SKIOLEAINHAYRR-IOJQJDBASA-N 433.552 2.149 0 1 IEAF CC(C)C[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 103200809 ZFDCSZZHNFGOBB-OAHLLOKOSA-N 437.443 2.402 0 1 IEAF COc1ccc(C(=N)O)cc1N1C(=O)C[C@H](NC2CCN(Cc3ccccc3)CC2)C1=O 103951734 MJIKSPRZGVEJKT-IBGZPJMESA-N 436.512 2.465 0 1 IEAF CC(C)NS(=O)(=O)c1c[nH]c(-c2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)c1 586935556 IKSLUUOWCACTLR-UHFFFAOYSA-N 427.490 2.304 0 1 IEAF CCCCNS(=O)(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1 587140176 CXSYUTBIIRPIKN-UHFFFAOYSA-N 426.495 2.095 0 1 IEAF Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)C(N)=O)c12 1772653674 MLBKURHESDEWRM-QGZVFWFLSA-N 447.492 2.405 0 1 IEAF COC(=O)c1cn([C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)Nc2cccc(C(F)(F)F)c2)nn1 2356830332 JGUZKXNUIYDALY-APIJFGDWSA-N 442.350 2.040 0 1 IEAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(CCC(C)C)C1=O 61921204 KDDRNYQWGQUPJV-DBYOASNMSA-N 427.545 2.368 0 3 IEAF O=C([C@@H]1CCCN(S(=O)(=O)c2cccnc2)C1)N1CCN(c2ccc(Cl)cc2)CC1 9681481 JEKKSZLPQUUNRN-QGZVFWFLSA-N 448.976 2.485 0 1 IEAF Cc1ccc(CNC[C@@H](CO)NC(=O)CNC(=O)c2cccc(C(F)(F)F)c2)c(C)c1 28952310 KNRXZXWLFHXTFX-IBGZPJMESA-N 437.462 2.319 0 1 IEAF O=C(NCc1ccco1)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc2nsnc2c1 66262282 GPCPOTWCVDGCDE-IBGZPJMESA-N 442.522 2.490 0 1 IEAF CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C 95688316 CBUFPLKBNRJCSB-XGHQBKJUSA-N 435.565 2.488 0 1 IEAF CCCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888692 NPBHNGVMTQKIGK-SZVBFZGTSA-N 432.521 2.125 0 1 IEAF CCCc1cn(CC[C@@H]2CC[C@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 95906800 IGZZKGWMEGNSAE-ZWOKBUDYSA-N 431.493 2.080 0 1 IEAF CCc1ccc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cn1 103245262 FPNVSJXNCZMKAF-IBGZPJMESA-N 440.500 2.080 0 1 IEAF 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CCCCO[C@H](C)C=CC1=C(C)C[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356541002 MXXZEBFTSFTTFC-RQVOAZHQSA-N 428.566 2.069 0 1 IEAF CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO 95879311 SYCRZHZGRHZUPY-LGKPFJOYSA-N 439.556 2.375 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 101651433 KEYIGCNMYMNEIX-WENBPLFZSA-N 444.440 2.325 0 1 IEAF CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H](F)CN1C(=O)Nc1cn(C(N)=O)c2ccccc12)C(=O)O 148157739 XNSSNEGVALTTKI-LZDSYCOUSA-N 447.467 2.128 0 1 IEAF CC(=O)N/C(=C\c1ccoc1)C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)O)C(C)C)C(C)(C)C 169337601 RGHVJPDPTVUQGL-YFWAXGHASA-N 447.532 2.459 0 1 IEAF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4c(O)nc(O)nc4[nH]3)cc2)cc1 586944163 FYGGXPXXSMBKLM-UHFFFAOYSA-N 439.453 2.112 0 1 IEAF Cn1nnc(Br)c1[C@H]1c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963131647 AOEVSJUOHVWERW-BDAKNGLRSA-N 444.311 2.370 0 1 IEAF CNC(=O)CCCN1C(=O)[C@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358397 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MEJUTVOAQGGYHA-TXTKFYIRSA-N 443.592 2.243 0 1 IEAF Cc1ccc(/C=C/S(=O)(=O)NCc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)cc1 586940992 MDNYRTAJSOMCSD-VAWYXSNFSA-N 434.543 2.212 0 1 IEAF COc1cc(OC)c2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2c1 587180406 QDPQXXWABAKBBN-UHFFFAOYSA-N 428.186 2.283 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CCO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@@]2(C)CC1 2356359671 PYJPOSCLPFOSMN-GUNAYHPFSA-N 446.584 2.445 0 1 IEAF CCCn1c(=O)c2[nH]c(-c3cc(NC(=O)Cc4ccccc4)nn3C)nc2n(CCC)c1=O 13559720 RFKPZXFRRYQWPP-UHFFFAOYSA-N 449.515 2.288 0 1 IEAF COc1ccc(CCC(=O)c2c(O)cc(O[C@@H](CCC(=O)O)C(=O)O)cc2O)cc1O 27431522 LIQCRCWHOPWUKQ-SFHVURJKSA-N 434.397 2.324 0 1 IEAF COc1cc(Nc2nn3c(N[C@H](CO)C(C)C)cc(C)nc3c2C(N)=O)cc(OC)c1 29123379 LGJSOGNULIDMSX-MRXNPFEDSA-N 428.493 2.326 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2C(=O)C1CCC1 95879043 AFLQWFMVHWKXNI-DBOLQNLKSA-N 440.471 2.118 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H]2O[C@H](CC(=O)NC3CCC3)CC[C@H]21 95892058 UITKDQSVNNFDEJ-FBBABVLZSA-N 441.528 2.475 0 1 IEAF Cc1ccc2c(c1)/C(=c1/s/c(=C/c3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 102902602 XQPZRYRYZAOGCE-JCJBZHQWSA-N 441.503 2.038 0 1 IEAF CC(C)N1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@H](C)CO)n3)cc2)CC1 115624611 PNIBAYONARQFCM-QGZVFWFLSA-N 436.560 2.319 0 1 IEAF C[C@@](O)(c1nccs1)[C@@H]1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1 221333797 WETWEUPXIFEGHM-VFNWGFHPSA-N 426.546 2.442 0 1 IEAF C[C@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(-c2ccccc2)cc1 299819799 DKPSDLOOZAIQNL-ZIVGMFRUSA-N 429.557 2.361 0 1 IEAF O=C(Cn1cc([C@H](O)c2ccccc2)nn1)N1CCN(c2nc3ccccc3s2)CC1 1857547535 AEDVKNAZMCLBHZ-OAQYLSRUSA-N 434.525 2.318 0 1 IEAF O=C(O)CCC(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@@H]12 2356863315 UQRCFAVJSQVFIU-SIKLNZKXSA-N 449.463 2.079 0 1 IEAF Cc1nc(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)[C@H](Cc1ccccc1)C2 585755 LFTNXNYQMYFYFQ-HXUWFJFHSA-N 445.523 2.112 0 1 IEAF Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccn3)c2=O)c1 13493143 LVNOKAFNSBACSJ-UHFFFAOYSA-N 428.443 2.170 0 1 IEAF CN(C)CCn1c(=O)c2ccc3c4c(nn3CCN3CCCC3)-c3ccccc3-n(c1=O)c24 27757962 ILFZVLNGAYCIMZ-UHFFFAOYSA-N 444.539 2.140 0 1 IEAF Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ncc(-c2ccsc2)s1 66098419 VPRBIMRNMNMIMA-GRARQNNCSA-N 433.551 2.286 0 1 IEAF C=CC(=O)NC1CCN(S(=O)(=O)c2ccc(C(=O)NCc3ccccc3)cc2)CC1 95578347 ARRWKZBPSNPASO-UHFFFAOYSA-N 427.526 2.072 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)N(C)C[C@@H]1C 95690530 TVGROYRLGTWDMS-PNLZDCPESA-N 447.576 2.488 0 1 IEAF O=C(NC1CCCCC1)[C@H]1N[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]2[C@@H]1CO 95881814 VBHCGIGHTBBWQL-MPJJRAAHSA-N 425.504 2.355 0 1 IEAF O=C1CN(S(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2c[nH]ccc-2n1 100935051 ROBSSSIGGUHSOU-UHFFFAOYSA-N 427.511 2.157 0 1 IEAF COc1ccc([C@@H](O)[C@H]2CCCN(c3nnnc4cc(N5CCOCC5)ccc34)C2)cn1 148311935 QQDLUKWLFRJNPR-HTAPYJJXSA-N 436.516 2.215 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC(O)CC3)[nH]c2c1 587236673 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2.189 0 1 IEAF C[C@@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccncc1)c1ccccc1 95880094 LPMNTJLSFUNIDO-SBFQEZKYSA-N 444.535 2.285 0 1 IEAF CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 95906155 MMFQGAJZTXOTSF-SUMDDJOVSA-N 442.969 2.332 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@@H]2CO)cc1 95908246 DVSDZAFRLPIFCS-CEWLAPEOSA-N 438.590 2.268 0 1 IEAF COC(=O)[C@@H](CNCCc1ccc(OC)c(OC)c1)[C@@H](O)c1ccc(OC)c(OC)c1 98084471 SDUBMNXXDNVCGK-JTSKRJEESA-N 433.501 2.376 0 1 IEAF C[C@H]1C[C@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 101177862 JXBYZKQDZBIQDJ-SOTZWJKQSA-N 439.556 2.367 0 1 IEAF COc1ccc(Nc2ncc(CN3CCNCC3)cc2-c2nc(C)nc3[nH]cnc23)cn1 113146107 LOYIRIFOXCGPHA-UHFFFAOYSA-N 431.504 2.276 0 1 IEAF COc1cncc2nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c12 586939336 UQXSBXGANQQURR-SFHVURJKSA-N 431.518 2.278 0 1 IEAF CCO/C(O)=C1\C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)N2CCOCC2)c(OC)c1 617981665 CPKUQWRAKLITDW-WOOAAIBNSA-N 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PYDBCULZQKFILV-RBBKRZOGSA-N 445.493 2.381 0 1 IEAF CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@H](c4ccccc4F)[C@H]3N2)CC1 618016571 DYJMHOKMGDRLMA-CFKGEZKQSA-N 448.608 2.271 0 1 IEAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1F 2356291658 ZSIXCFXJSDNAMA-PXNSSMCTSA-N 443.906 2.038 0 1 IEAF O=C1CN(C(=O)CSc2nc3n(-c4ccccc4)[nH]cc-3c(=O)n2)c2ccccc2N1 103782186 RGESVRCGRRHSPE-UHFFFAOYSA-N 432.465 2.138 0 3 IEAF Cc1cc(C)cc(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@@H]4C2=O)c1 12645226 RUHWNESPTVCFNF-WTMJVXIESA-N 436.464 2.042 0 1 IEAF Nc1cc(CN2CCC(C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)CC2)ccn1 96285299 KJAMWQZICMXSKB-UHFFFAOYSA-N 434.544 2.383 0 1 IEAF O=P(O)(O)C(Nc1ncnc2sc(-c3cccc4[nH]ncc34)cc12)P(=O)(O)O 103276799 RAVZTVKQTDSUEQ-UHFFFAOYSA-N 441.302 2.286 0 1 IEAF CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@@H]1CNc1ccc(O)c(C(=O)O)c1 169351899 DFPQDTAFBIPZQL-MRXNPFEDSA-N 435.392 2.283 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Nc4ccc(F)c(Cl)c4)nc23)N1 205017928 VGKNYQUHFUAEIU-ACAGNQJTSA-N 428.815 2.415 0 1 IEAF COc1cccc2c1C[C@]1(C2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3C)[C@H](O5)C1=O 253694364 BIEACPWHNAUZTR-DIRKAARUSA-N 433.504 2.149 0 1 IEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(I)cnc2[nH]1 586960506 YLSTTYFQLGYOON-AWEZNQCLSA-N 444.254 2.031 0 1 IEAF O=C(O)CCNc1nc(N2CCN(c3ccccn3)CC2)cc(-n2cc3ccccc3n2)n1 653774483 DXNCTPTUTKYBGV-UHFFFAOYSA-N 444.499 2.424 0 1 IEAF CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963229385 WBGWMCHQIXSESQ-NTKDMRAZSA-N 434.448 2.412 0 1 IEAF Cn1c([C@](O)(c2ccc(F)cc2)c2ncccc2F)nc2ccc(S(N)(=O)=O)cc21 1857594274 RAECGZNMTWXBFG-FQEVSTJZSA-N 430.436 2.178 0 1 IEAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3c[nH]c4ccccc34)C2=O)c2cc(Cl)ccc21 14976767 NXGGINSWMFMGAF-JOCHJYFZSA-N 437.839 2.449 0 1 IEAF CN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2C 20486942 BFTSCKIMLCVFQH-UHFFFAOYSA-N 429.542 2.220 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]4C=CC=C[C@H]43)N2C1=O 40937905 OIRIAMGQIQWDIM-XITVERIXSA-N 442.604 2.040 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccsc1 43527490 MJNNJEWPZDIOQN-WSTZPKSXSA-N 441.605 2.192 0 1 IEAF biogenic O=C(CCC(=O)N1CCNCC1)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 73225030 CWYBOMZPIGUTEV-UHFFFAOYSA-N 444.491 2.088 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@H](CO)O1 95900137 ALBNIJOYEDEARG-UPSSIMKTSA-N 425.485 2.245 0 1 IEAF Cc1cnc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc2c1 586958569 HFZSLYCLRGEQAY-UHFFFAOYSA-N 425.470 2.208 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc([C@@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587206633 NWUUKNKNDOHAMB-QGZVFWFLSA-N 446.485 2.255 0 1 IEAF Cc1cc(CNC(=O)[C@H]2CCC[C@H](NC(=O)Nc3ccccc3)CN(C)C(=O)C2)no1 2356363659 LFABBVKIZJYZRC-WMZOPIPTSA-N 427.505 2.438 0 1 IEAF COc1cc(C=CC(=O)N(C)C[C@H](OCCOCCO)c2ccc(O)cc2)ccc1O 2356793883 KTSZDMMLUBPDNF-QFIPXVFZSA-N 431.485 2.345 0 1 IEAF COc1ccc(C(=O)N2CC[C@@H]3CC(=O)N([C@H](Cc4ccccc4)C(N)=O)CC[C@@H]3C2)cc1 2356810678 BAFUFTLIYFDUPB-MQSCRBSSSA-N 449.551 2.493 0 1 IEAF CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)OCc1ccccc1 12478505 ZEIZHTBOTDUSJX-SVFBPWRDSA-N 440.521 2.356 0 3 IEAF C[C@H](C(=O)OCC(=O)c1ccc(Br)cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 13857698 DVSSZZYKNXCIRL-GSHBDLQKSA-N 432.270 2.371 0 1 IEAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OC[C@@H]1CCCN1C 82082524 QUHLWHOGFDSXAN-KXBFYZLASA-N 429.473 2.462 0 1 IEAF O=C(O)CCCn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc21 101035190 ZBTSHVSBDIPULX-UHFFFAOYSA-N 427.438 2.133 0 1 IEAF Cn1c(=O)n(CC(C)(C)C)c2ccc(C3=C[C@H]4CC[C@H]3CN4C(=O)Cn3cncn3)nc21 145196745 WNILPHCEVJNPJL-JKSUJKDBSA-N 435.532 2.077 0 1 IEAF NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccccc3)cn2CCN2CCC2)CC1 218704333 VCEOIPYMISBYNL-UHFFFAOYSA-N 446.559 2.111 0 1 IEAF CC[C@H](C)[C@H](NC(=O)Cc1c(C)c2c(OC)cc(C)cc2oc1=O)C(=O)N[C@H](C)C(=O)O 504153309 QBLHGVZHHUCVBA-HKMRUAMVSA-N 446.500 2.081 0 1 IEAF biogenic Nc1c(O)cccc1[C@]1(C[C@@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582285 ZJYRALKPWNCLDG-SXHVTTPXSA-N 436.420 2.339 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 587840135 JQZYYEZFHWJNBC-QGHHPUGFSA-N 428.327 2.237 0 1 IEAF Cc1ccc(NC2=c3cc(Cl)ccc3=NC2=O)cc1NC1=c2cc(Cl)ccc2=NC1=O 653861035 FXNYWJQKDGBJBU-UHFFFAOYSA-N 449.297 2.062 0 1 IEAF CCOC(=O)[C@@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963508414 KHNQZSZZJYEOAV-JKXTWKSPSA-N 434.489 2.067 0 1 IEAF COC(=O)C1=C[C@H](O)C[C@@H]2[C@](C)(C[C@H](OC(C)=O)c3ccoc3)[C@@](O)(C(=O)O)C=C[C@@]12C 1857635874 QQUUPEXNLADOCT-DVYBWTEISA-N 448.468 2.152 0 1 IEAF CCCCn1c(=O)c(C(=O)NC23CC4CC(CC(C4)C2)C3)c(O)c2c1cnn2CCO 1911571954 INOXANPEYZURJB-UHFFFAOYSA-N 428.533 2.395 0 1 IEAF CS(=O)(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]2C1 2356873059 ZCWGOIDMEVKCDH-XLIONFOSSA-N 425.510 2.332 0 1 IEAF COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(Cc3ccc(F)cc3)c2=O)cc1 4238292 TYDIODOZKKFPIB-UHFFFAOYSA-N 446.486 2.459 0 1 IEAF COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc(C(=O)O)cc2)CCO1 27708288 ZQCPUKBNIDMQAR-OAHLLOKOSA-N 433.892 2.260 0 1 IEAF CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)O 36153330 NULRTLVWXFIIBM-ZMHJYQQXSA-N 444.528 2.157 0 1 IEAF O[C@](CN1CCN(Cc2ccccc2F)CC1)(Cn1cncn1)c1ccc(F)cc1F 40564099 KRTHZMVDYCGDBQ-JOCHJYFZSA-N 431.462 2.401 0 1 IEAF CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)c4ccccc4)CC3)nc1-2 45384904 TZBRTWANJDQXNF-UHFFFAOYSA-N 445.527 2.052 0 1 IEAF CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@H]1C 82164987 NMPQKWXCZNCDON-QUCCMNQESA-N 444.576 2.093 0 1 IEAF CCNC[C@H](O)COc1ccc(C2=Cc3ccc(OC[C@@H](O)CNCC)cc3OC2)cc1 95605546 NJIRUTUUGUANOB-VXKWHMMOSA-N 442.556 2.318 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 95868707 TVBRNEYBQAHXEL-IBGZPJMESA-N 449.507 2.288 0 1 IEAF Cn1ccc(-c2c(N)ncnc2N2CCN([C@@H](CN)c3ccc(C(F)(F)F)cc3)CC2)n1 218683605 CDDICJBFDYJQKQ-KRWDZBQOSA-N 446.481 2.300 0 1 IEAF O=C1COc2cc3nc(-c4ccc(S(=O)(=O)NC[C@@H]5CCCO5)cc4)[nH]c3cc2N1 586947276 VKMRGFKPSJVLDA-ZDUSSCGKSA-N 428.470 2.018 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc(S(N)(=O)=O)ccc3F)[nH]c2c1 587141832 XVTJSDZQHVNGNK-UHFFFAOYSA-N 426.495 2.047 0 1 IEAF COc1cccc([C@]2(C(O)O)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)c1 962925054 PLEFUNPPHZBLQA-URXFXBBRSA-N 437.448 2.346 0 1 IEAF CCOC(=O)[C@H](Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCNC2)cc1 13782212 OWKHETGLSIQENA-FCHUYYIVSA-N 438.528 2.362 0 1 IEAF COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N32)cc1OC 26771906 YSGQAXUNAKILFL-NTKDMRAZSA-N 449.507 2.252 0 1 IEAF biogenic CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@H]2[C@@H]1C 36378587 KFLCEMCIDTVRAF-ICJSRXDQSA-N 435.561 2.180 0 1 IEAF CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C 82235329 ZQJOZFWRHHNGHR-RXVVDRJESA-N 444.576 2.257 0 1 IEAF C[C@@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 95675631 KEJHSICNFQEVJK-NSGGIEJNSA-N 448.516 2.056 0 1 IEAF O=C(C[C@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 95887101 GATSYQQQECLMNC-TWHAJKEOSA-N 426.513 2.382 0 1 IEAF O=S(=O)(N[C@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 95906241 RHJXOCKIMUYHPK-HHXXYDBFSA-N 440.953 2.086 0 1 IEAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cnc(-c2ccccc2)c1 114057476 HCGIYKXAFSVLBQ-FQEVSTJZSA-N 439.475 2.330 0 1 IEAF COC(=O)/C=C(\C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@@H]1[C@@H]2CO3 238750808 ZDFFECACYJADGQ-AHXSKBCZSA-N 426.469 2.209 0 1 IEAF O=C(O)c1cc(O)c2c3c(cc(O)c2n1)Oc1cccc(C(=O)C[C@H](O)C(=O)O)c1N3 238754149 KJIQJKGYPALRLC-LBPRGKRZSA-N 426.337 2.212 0 1 IEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)[C@H](O)N[C@H](C)C(=O)O 299805769 CGITWACPUYXSBM-OIISXLGYSA-N 430.438 2.184 0 1 IEAF COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1OC 586945895 CTMVNHCYCFCVGA-AWEZNQCLSA-N 445.497 2.482 0 1 IEAF CCS(=O)(=O)c1ccc2nc(C[C@@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1 587205577 CEVBVFCYYAMWFW-QGZVFWFLSA-N 431.470 2.279 0 1 IEAF Nc1ccccc1[C@@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606273 GTQXEAPIZRVRSP-WIYYLYMNSA-N 426.450 2.120 0 1 IEAF CC(=O)O[C@@H]1C[C@@]2(C)C=C[C@H](O)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@]2(O)CCC1=CC(=O)OC1 2356410489 MJWXYHMXFFQYJC-UBEBIITCSA-N 434.529 2.037 0 1 IEAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(=CC)COC(=O)CC(C)(C)O)[C@H]12 2356729445 IFOJBJYZVQYKHB-QWFCFKBJSA-N 437.533 2.152 0 1 IEAF CCCCc1c(O)n(-c2ccc(OC)cc2)c(SCC(=O)N2CCOCC2)nc1=O 100553006 YENUJIMNSLIQHY-UHFFFAOYSA-N 433.530 2.240 0 3 IEAF COc1cc([C@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2CO)cc(OC)c1OC 3982209 XQWLRAUXZRVNAY-BXTJHSDWSA-N 446.452 2.363 0 1 IEAF biogenic Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)O)c(C)c3cc2c1C 16032506 IDWOUQWBYRONHF-CHWSQXEVSA-N 442.468 2.491 0 1 IEAF biogenic COc1cc(OC)cc(N2C(=O)[C@H]3C[C@@H](NC(=O)c4ccnc(Cl)c4)CCN3C2=O)c1 25179556 OYCJAAGUMJYSMT-SUMWQHHRSA-N 444.875 2.482 0 1 IEAF biogenic O=C(O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2C(=O)Cc1ccccn1 95884494 OUKGSGKLYXRNMA-SQMBMXPBSA-N 449.507 2.018 0 1 IEAF COc1cc2c(c3oc(=O)c4c(c13)Cc1cc3c(O)nc(O)nc3nc1-4)[C@@H]1C=CO[C@@H]1O2 587563065 PNZHXGYGNKKZGY-HXNGOWOSSA-N 431.360 2.468 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2COC[C@H]2Cn2ccc(-c3ccc(F)cn3)n2)c1 1911572388 CJCNOTJDZIWTHH-QGZVFWFLSA-N 433.447 2.472 0 1 IEAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@@H](O)[C@@H]2O1)NCc1ccc(F)cc1 2356470026 LCTNLIBORYHABU-FSAOVCISSA-N 442.478 2.285 0 1 IEAF CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1cc(Br)cnc1N 20484355 OHLQYGXOBMPVRJ-UHFFFAOYSA-N 441.351 2.096 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3cc4c(Cl)cccc4s3)[C@H]2SC1 29551475 GONCKNRVLGIBFL-GDZNZVCISA-N 437.930 2.313 0 1 IEAF S=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCOCC1)Nc1ccc(-n2cccn2)cc1 43526760 AIFRDGZWBFFDTP-XQBPLPMBSA-N 440.617 2.201 0 1 IEAF biogenic CCN1CCC[C@H]1CNC(=O)c1c(OC)c(O)cc(I)c1OC 64448783 VVMAWHYBPARZHV-JTQLQIEISA-N 434.274 2.228 0 1 IEAF COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3Cl)C2)nc(C)c1F 68153046 BDAWWEDGYKGFDO-HXPMCKFVSA-N 436.850 2.053 0 1 IEAF CCC(CC)CNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 82209266 SXKIEQXOQLHZBE-LJQANCHMSA-N 439.560 2.495 0 1 IEAF CCCCO[C@H]1C[C@@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 82219957 HIIXSLMNTMGICD-PMACEKPBSA-N 449.617 2.414 0 1 IEAF COC(=O)[C@@]1(Cc2ccc(O)c(C[C@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 95785589 AOQVEWHCTJBXCU-IECBHUPTSA-N 440.448 2.182 0 1 IEAF CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95881159 KCNTUYHUZYKDCE-YJMBLLCNSA-N 425.504 2.260 0 1 IEAF CO[C@H]1C[C@@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C(=N)N)cc3)N2C1 96941608 XIDVPSOTONMTDZ-SSTJLMRISA-N 436.487 2.055 0 1 IEAF CC(C)=CC(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 103148858 YUZUYIJZFWTSEK-LJFCCLDTSA-N 430.541 2.332 0 1 IEAF O=C(NCc1ccc(S(=O)(=O)c2cncc(Cl)c2)cn1)c1cnc2[nH]ncc2c1 205978516 RMYFVCJQDWEKFR-UHFFFAOYSA-N 428.861 2.164 0 1 IEAF CC(=O)c1nn(CC(=O)N2[C@H](C(=O)NCC3C(C)(C)C3(C)C)C[C@H]3C[C@H]32)c2ncccc12 210836852 CZTAAVVAGUCTPV-OIISXLGYSA-N 437.544 2.422 0 1 IEAF CCCCCOC(=O)[C@@H](N[P@@]1(=O)CO[C@H](COc2ncc(F)c(=N)[nH]2)CO1)C(C)C 1911580648 VYGWOVAYVUFJLS-PWZVPDBLSA-N 448.432 2.321 0 1 IEAF COCCCN1C(=O)[C@@H](CC(=O)NCC2CCCCC2)CC(C(=O)N2CCOCC2)=C1C 61921904 FGBKPHVSYKUQTQ-HXUWFJFHSA-N 449.592 2.091 0 3 IEAF CCOC(=O)OCC1(N(C(=O)CC)c2ccccc2)CCN(CCn2ncnn2)CC1 28007501 BESDARIELJHOEX-UHFFFAOYSA-N 430.509 2.124 0 1 IEAF CC(C)S(=O)(=O)N[C@H]1Cc2ccc(Cn3cc(CCO)c(C(F)(F)F)n3)cc2C1 66251088 BUOSJJATKHZTDJ-KRWDZBQOSA-N 431.480 2.280 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)cc2F)[C@H]2CCCCN2)sc1CCO 84758276 XKEULLFUOFIMBB-WBVHZDCISA-N 438.500 2.203 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCC3CC3)[C@H]2N1C(=O)c1ccccc1 95880300 UNTJKFRBNAGXOM-KGLNGDCASA-N 447.535 2.212 0 1 IEAF COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)c(F)c(N3CCOCC3)n2)[nH]n1 96269742 TXSZBYPJUSXOFM-JTQLQIEISA-N 433.423 2.030 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCC(=O)c4cc(OC)c(OC)cc4NC(=O)[C@@H]3C[C@H]12 211239340 GSEUZKHBXGQIHO-OVAAFMSASA-N 444.484 2.011 0 1 IEAF CC1=C(c2ccc3nc(-c4nccnc4I)[nH]c3c2)NNC(=O)C1 587186871 XMZXFAPXVGEIEQ-UHFFFAOYSA-N 432.225 2.380 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587762642 YTMMRSXEJCTCJJ-XTZNXHDOSA-N 427.270 2.082 0 1 IEAF CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)CC[C@]12c1ccsc1CCN2C(N)=O 962698284 GPMBQYJEMOWRGY-AVRDEDQJSA-N 427.526 2.492 0 1 IEAF Nc1c(C(=O)NCc2ccc(F)cc2F)c(=O)n(O)c2nc(N3CCCCC3)ccc12 1772633402 XRRNNUKSYYNSOU-UHFFFAOYSA-N 429.427 2.415 0 1 IEAF C[C@H]1CC[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)C1=O 2356484114 JFXPTGJYLLVAFU-NDLGOLERSA-N 428.529 2.272 0 1 IEAF COC(=O)[C@@]1(C)[C@H]2CC(=O)[C@H]3[C@@H](C)C(=CC(=O)NCCN(C)C)CC[C@H]3[C@@]2(C)CC[C@H]1O 2356500413 TZEBUKDWHLEPOL-DJYWMWKWSA-N 448.604 2.182 0 1 IEAF COc1cccc(N2C(=O)Nc3ccccc3[C@@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 9546131 CMIVNHZGWYDJMO-HSZRJFAPSA-N 439.468 2.258 0 1 IEAF CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@H](c4cc(F)c(F)cc4F)[C@@H](N)C3)n2)c1 14958763 UNKYYGBTNCKVGW-KDOFPFPSSA-N 449.458 2.291 0 1 IEAF CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CO[C@@H](OCC2CCCCC2)CN1 43129121 XQHQHHREHKYCIG-CBPXPLCBSA-N 426.504 2.284 0 1 IEAF C[C@@H](O)c1cn(C2CCN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)nn1 49068108 MEENAQZEWNMRAH-LLVKDONJSA-N 442.451 2.055 0 1 IEAF COc1ccc([C@]2(NC(=O)CN3CCN(C)CC3)C(=O)Nc3cc(Cl)c(C)cc32)cc1 95555100 AWHFSCLBUGXRCU-HSZRJFAPSA-N 442.947 2.216 0 1 IEAF CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(OC)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC 95866818 WOAGKNYBQCIRDO-VXSCBNMQSA-N 425.529 2.034 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCC(F)(F)F 95869489 JJJUWPARTOQMTL-GDAAHCPNSA-N 439.478 2.420 0 1 IEAF CC(C)[C@H]1C(=O)N(S(C)(=O)=O)[C@H]2CC[C@@H](C(=O)c3csc(CN4CCCC4)n3)[C@@H]21 96904371 VSOMYQFJDJUIDG-SIUPPRGNSA-N 439.603 2.390 0 1 IEAF Cc1nc(N2C[C@H]3CN(C(=O)c4c(F)cccc4-n4nccn4)C[C@H]3C2)nc2c1CCC2 116823557 ZTGJNAYBFDLHLF-IYBDPMFKSA-N 433.491 2.202 0 1 IEAF Cc1cnc(C(=O)Nc2ccc(F)c([C@]3(C)CO[C@@](C)(C(F)(F)F)C(N)=N3)n2)cn1 167675430 QEEWKGAHKUUMAX-DLBZAZTESA-N 426.374 2.495 0 1 IEAF O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 169364583 UUOMSRLCASBMJS-LZFOCZMJSA-N 428.488 2.301 0 1 IEAF C[C@@H]1CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]2[C@@H](C)O1 299838646 QSLVDRVWWJPQIM-VHCOLVSPSA-N 444.463 2.155 0 1 IEAF COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587596412 VNBUGYSFKLXYFA-BIJNDOOQSA-N 440.404 2.034 0 1 IEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 587840134 JQZYYEZFHWJNBC-DYZYQPBXSA-N 428.327 2.237 0 1 IEAF CCOCCOCCNCc1ccc(CNC(=O)c2csc3ncnc(O)c23)cc1 1857560693 LHPGGEDEWBMXGE-UHFFFAOYSA-N 430.530 2.470 0 1 IEAF CCN1CCN(CCCNC(=S)Nc2ccc3nc(N(C)CCN)cc(C)c3c2)CC1 1857583007 WRFGNVYCIZZKQA-UHFFFAOYSA-N 443.665 2.252 0 1 IEAF COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@@H]1N(C2)C[C@@H]3OC(=O)c1cccnc1 13312529 IITMLRSQGPFGSO-XBVRUNOSSA-N 436.464 2.455 0 1 IEAF biogenic CC1(C)O[C@@H]2C[C@@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5(C)[C@]4(F)[C@@H](O)C[C@@]3(C)[C@]2(C(=O)CO)O1 13719393 YNDXUCZADRHECN-ZYHSPZSUSA-N 434.504 2.419 0 1 IEAF C[C@H](CC(=O)N[C@@H](CC(=O)O)c1ccccc1)NC(=O)c1cc2cc(C(=N)N)ccc2[nH]1 13776112 FUHXURXGBRRSPW-ACJLOTCBSA-N 435.484 2.293 0 1 IEAF CCCc1c(COc2ccc(Cc3nnn(Cc4nnn[nH]4)n3)cc2)ccc(C(C)=O)c1O 13824188 GLEDJLRNICFTON-UHFFFAOYSA-N 448.487 2.265 0 1 IEAF Oc1ccc(CCCC[C@@H](CCc2ccc(O)cc2)O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)cc1 36378828 JZCRGGLJUHEQBR-QOXFPCGXSA-N 432.513 2.268 0 1 IEAF Cc1ccc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N[C@@H]2CCNc3ccccc32)cc1 73163084 VNTWPQGDVBJBNP-WOJBJXKFSA-N 440.525 2.019 0 1 IEAF Ic1cnc2ccc(-c3nc4ccc(-n5cnnn5)cc4[nH]3)cn12 587187358 FLIVSTDWOVMPMQ-UHFFFAOYSA-N 428.197 2.458 0 1 IEAF COC(=O)C(=O)C[C@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583028 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O=S1(=O)N=C(NCc2ccc(S(=O)(=O)c3ccccc3)cc2)Nc2ccncc21 103241100 BFDWLIFXSSTNPA-UHFFFAOYSA-N 428.495 2.174 0 1 IEAF O=S(=O)(c1ccc2nc(-c3cn(-c4ccc(Cl)cc4)nn3)[nH]c2c1)N1CCOCC1 587076390 RWLMWCVFBYPPAK-UHFFFAOYSA-N 444.904 2.485 0 1 IEAF COc1cc2c3c(c1)O[C@@](C)(c1ccc(S(=O)(=O)NCCC(=O)O)cc1)[C@@H](C2)C3=O 587448453 JDHSUYBUNWSEPZ-KKSFZXQISA-N 431.466 2.111 0 1 IEAF C[C@]1(n2cc([C@H]3N[C@@H](C(=O)C(F)(F)F)Cc4ccccc43)cn2)CCS(=O)(=O)C1 962705807 FEQZEBJNIHDFNY-NUJGCVRESA-N 427.448 2.152 0 1 IEAF CCOC(=O)[C@@]1([C@H]2CN(Cc3ccccc3)CCC2=O)NCCc2c(C(=O)O)cccc21 963120374 GYTAOBJMTUUDKQ-SQJMNOBHSA-N 436.508 2.380 0 1 IEAF COCCOCCOCCO[C@H]1C=C[C@@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 1772570180 YUNYZPGJOLFRAP-FEBYWIKYSA-N 445.556 2.205 0 1 IEAF CO[C@H](C(=O)Nc1n[nH]c(=N[C@@H]2CCN(c3cc(Cl)cnn3)C2)s1)c1ccccc1 1857547808 MSKIYGPTRXMYOV-ZBFHGGJFSA-N 445.936 2.420 0 1 IEAF Cc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)Nc4ccccc4)[C@H]32)cc1Cl 2356811495 BPCFYMCEEDXPRO-IKLKHMQRSA-N 431.945 2.461 0 1 IEAF CS(=O)(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@@H]2C1 2356873057 ZCWGOIDMEVKCDH-PXNSSMCTSA-N 425.510 2.332 0 1 IEAF CCOC(=O)C1CCN(c2c(NCc3ccc(C(=O)N[C@H](C)CC)cc3)c(=O)c2=O)CC1 13150458 ILIHCISYHXXJOJ-OAHLLOKOSA-N 441.528 2.203 0 3 IEAF C[C@H](NC(=O)[C@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 9287985 ZMMSLNCRPVGAKE-DZGCQCFKSA-N 443.529 2.282 0 1 IEAF COc1ccc2c(c1)[C@@H](CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)CC2=O 26275822 UPBQIORKOUEFRI-UIAACRFSSA-N 445.560 2.302 0 1 IEAF CN(C)CCSc1ccc(/C=c2\[nH]c(=O)/c(=C/c3cccc(Cl)c3)[nH]c2=O)s1 26576273 QANNGEWJRYOEGP-LSQIQBGYSA-N 433.986 2.089 0 1 IEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)O[C@@H](C)OC(C)=O)CC3)cc21 27889164 CBVLYNWYKXAQDU-ZDUSSCGKSA-N 449.435 2.026 0 1 IEAF CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@@H](N)[C@H](c4cc(F)c(F)cc4F)C3)n2)c1 36310986 UNKYYGBTNCKVGW-KBXCAEBGSA-N 449.458 2.291 0 1 IEAF CCCNC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c([nH]c3cc(OC)ccc23)[C@H]1CO 95666393 DCPVOTWQZMKRJS-GOSISDBHSA-N 426.517 2.135 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@H]1C 95693478 BIFUFKYMXIZDEA-WHSLLNHNSA-N 433.549 2.145 0 1 IEAF O=S(=O)(c1ccccc1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2CC1CCOCC1 95794446 MUXVQBHTPJFPFX-PKTZIBPZSA-N 442.581 2.317 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 95818538 JFBDPIUUNLHCPK-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 95886760 SGRCZZJBURZTBJ-WCIQWLHISA-N 449.548 2.098 0 1 IEAF O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 95901969 BOKKRFULVUTARF-JQIPDMGMSA-N 437.445 2.096 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NCc2ccc(F)cc2)[C@@H]1CO 100139171 YBSZOJRJDDVCFH-ZSJGOKQNSA-N 425.504 2.320 0 1 IEAF COc1cc2c3c(c1)O[C@](c1cccs1)([C@@H](C)N1CCN(CCO)CC1)[C@@H](C2)C3=O 587450890 LQQIFSKZWWPWHG-KFCXZAFISA-N 428.554 2.398 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3C[C@H]4CCO[C@H]4C3)n2)cc1C(F)(F)F 653767501 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C[C@@H]1Cc2c3c(cc(O)c2C(=O)O1)O[C@]1(C)[C@H](O)C[C@@H]2C(C)(C)[C@H](O)C[C@H](O)[C@@]2(C)[C@H]1C3 2356348865 IUIGVEPUMGGBCD-CTJHGTQZSA-N 446.540 2.342 0 1 IEAF CC(=O)OC[C@@H]1CN(Cc2ccccc2)C[C@H](n2cnc3c(N4CCCC4)ncnc32)O1 61909011 YIIMDPFPUHZTTA-VQTJNVASSA-N 436.516 2.389 0 3 IEAF COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ncccn2)CC1 9269241 ZPRURLCLASMYQC-UHFFFAOYSA-N 429.502 2.268 0 1 IEAF O=C(NCCCCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1)P(=O)(O)O 95557747 GCWNMMYPQYXINB-UHFFFAOYSA-N 428.403 2.425 0 1 IEAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@H](CO)O1 95903173 HFIMGBHSBJMCIP-ZTVUFDKISA-N 441.436 2.225 0 1 IEAF CN1CCCc2ccc(NC(=O)N3CCN(c4ncc([C@H](O)CO)cc4Cl)CC3)cc21 141069248 OCMVTUVRGLEIJW-HXUWFJFHSA-N 445.951 2.497 0 1 IEAF C/C1=C/C(=O)O[C@@H]2C[C@@H](CC[C@H](C)/C=C\CC1)O[C@@](O)([C@@H]1CS(=O)(=O)C(=O)N1O)C2 144499603 IBVAIJGYBYPIEI-JRIKCGFMSA-N 443.518 2.087 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]12 238770296 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UFIUYJMZARFVAD-UHFFFAOYSA-N 433.512 2.441 0 1 IEAF COC(=O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 95903181 HFIMGBHSBJMCIP-YKHKRFOZSA-N 441.436 2.225 0 1 IEAF CN(C)C(=O)CNc1ncc(C(=O)N[C@@H]2[C@H]3CC4C[C@@H]2C[C@@](O)(C4)C3)c(C2CCCC2)n1 101585090 LXCOLPFHGLYORA-SWRNFOARSA-N 441.576 2.304 0 1 IEAF CC(C)CC(=O)N1CCN(c2ccc(-c3noc([C@@H]4CCCN4C(=N)N)n3)cc2)CC1 473152886 WSLMUMUHCXSOOX-SFHVURJKSA-N 425.537 2.462 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(Br)nc3[nH]2)[C@H](C)O)cc1 586936579 IVJIIKNKDNVHDO-XPTSAGLGSA-N 441.307 2.129 0 1 IEAF CN1C(=O)C[C@H]2CN[C@](C)(c3cn(-c4cccnc4Cl)c(=O)nc3O)c3cccc1c32 963037896 YOJOQXHICUAYQS-YTEVENLXSA-N 437.887 2.303 0 1 IEAF Cn1cc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnc(S(C)(=O)=O)c23)cn1 1911579500 IEJBULVHHQXFQG-UHFFFAOYSA-N 442.476 2.219 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3ccccn3)[C@H](O)[C@H]2[C@@H]1C 2356316852 UONWEASBIGJGCX-MLQYWOTLSA-N 431.577 2.288 0 1 IEAF CCOC(=O)N1CCC(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 12469490 IGXFJCQPBHLTNL-FZONSQQESA-N 443.475 2.167 0 3 IEAF CNC(=O)c1nccnc1NCC(=O)N1CCC(Nc2ccccc2C(F)(F)F)CC1 28704962 AXIXUINDTJQLOD-UHFFFAOYSA-N 436.438 2.370 0 1 IEAF N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccnc2)c1F 28956060 BCDJFMAKDSWLOY-UHFFFAOYSA-N 444.845 2.151 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CN(c2ncccn2)C3)cc1 95579156 ZXQOTUSTYCUIBX-UHFFFAOYSA-N 446.515 2.432 0 1 IEAF O=C1CN(C(=O)Nc2cnc3ccc(N4CCC[C@@H]4c4cc(F)ccc4F)nn23)CCN1 118236691 PCLWKGDIYYLZBK-MRXNPFEDSA-N 441.442 2.313 0 1 IEAF C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(F)c(F)c1 145119512 NGIWXHCDWOYZCL-KIKKFWRUSA-N 440.414 2.330 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@]2(C)CC1 257670143 YHVXQLPNJVSDTP-GUJFQVPWSA-N 430.541 2.263 0 1 IEAF endogenous,in-man COc1cc2c(cc1OC)C1(CCN(CC(=O)O)CC1)N(C(=O)c1ccccc1N)CC2 963149119 DQGUGYDQCBTXDV-UHFFFAOYSA-N 439.512 2.360 0 1 IEAF Cc1nn(C)c(C)c1[C@H]1N[C@H](C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)Cc2ccccc21 963688799 WFAWGAOGYWTORK-FUDKSRODSA-N 448.523 2.158 0 1 IEAF O=S(=O)(Nc1cccc(-c2cn(-c3cccc(F)c3)nn2)c1)c1cnc(O)nc1O 1857600383 KITGSXMFDZYSKO-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF CCCN(C)[C@H]1CN(Cc2cn(Cc3ccc(C(F)(F)F)cc3)nn2)S(=O)(=O)C1 95601721 QQFSTJQIEWEGPW-KRWDZBQOSA-N 431.484 2.201 0 3 IEAF Cn1cnnc1SC1CN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2F)C1 28819206 MIWNTTHRICBSRI-UHFFFAOYSA-N 433.440 2.422 0 1 IEAF COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3S2(=O)=O)CC1 28866103 QMIUZKMFRCDUKI-UHFFFAOYSA-N 429.542 2.442 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C 95679659 WOSANDNCOYBBEC-GXZWQRSESA-N 431.533 2.388 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95880043 YHFITURCAWHYMO-XSEFMFLKSA-N 449.482 2.386 0 1 IEAF Cc1ccccc1S(=O)(=O)NCC[C@@H]1CC[C@@H](NC(=O)C2CCCCC2)[C@H](CO)O1 95905519 DDRMKOIBSRTVIH-ZCNNSNEGSA-N 438.590 2.268 0 1 IEAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 101584950 WOGPRQJEAZLPIH-SYHKTMSXSA-N 428.533 2.278 0 1 IEAF CC(C)n1cc(C(=O)c2cncc(NC(=O)Cc3cnc4ncnn4c3)c2)c2cncnc21 169707916 AHZSRIHGKJZWMJ-UHFFFAOYSA-N 441.455 2.257 0 1 IEAF C/C=C1\CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 238760144 ZCTHOTXPRNWRNQ-WQVFWLFPSA-N 426.513 2.138 0 1 IEAF COc1ccc(-c2noc([C@H]3C[S@](=O)CCN3C(=O)COc3ccccc3)n2)cc1 299860089 ZNEDVKGUMPVGJN-VPTFNQTCSA-N 427.482 2.456 0 1 IEAF CCOC(=O)[C@@]1(c2nnc3c(Cl)nccn23)c2cc(OC)c(OC)cc2C[C@H](C)N1C 962618817 DXBLMQQSLYNJKE-QKVFXAPYSA-N 445.907 2.478 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3ccc(Cl)c(Br)n3)N2C(=O)[C@@H]2CCCN12 963222645 ZLOHKTFYRTVCLY-SGMGOOAPSA-N 436.697 2.068 0 1 IEAF COc1cccc2c1OCC[C@]2(O)CNS(=O)(=O)c1cccc(Br)c1 1857587153 IWSYUQDLZHWUQC-KRWDZBQOSA-N 428.304 2.406 0 1 IEAF O=C(O)c1ccc(CN2CCC[C@H]2c2nc(C3=CN[C](N4CCOCC4)C=C3)no2)cc1 2356836572 QNPCXOMQOJAVNN-IBGZPJMESA-N 436.492 2.427 0 1 IEAF C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 12643962 NVLHHMPSYBIJIM-DLBZAZTESA-N 431.533 2.498 0 3 IEAF O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2ccc(C(F)(F)F)cc2)nn1 96020793 IUQUAIANVKCWNA-SFHVURJKSA-N 443.495 2.345 0 3 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O 14781275 ISKLVGANHNNXLD-CDMCTNBCSA-N 431.441 2.153 0 1 IEAF biogenic Cn1cc([C@@H]2C=CN=N2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O 29128540 FIVGKJJWXJXLRA-HNNXBMFYSA-N 434.460 2.313 0 1 IEAF O=c1cc(-c2ccc(OCCOCCOCCOCCO)cc2)oc2cc(O)cc(O)c12 40575960 ABXBXUMWMCFDDG-UHFFFAOYSA-N 446.452 2.292 0 1 IEAF CNS(=O)(=O)Nc1cncc(Cc2c(C)c3ccc(OC(=O)N(C)C)cc3oc2=O)c1 169345268 NOZUCNQJIWADAC-UHFFFAOYSA-N 446.485 2.024 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 169364584 UUOMSRLCASBMJS-YZWRWILZSA-N 428.488 2.301 0 1 IEAF CNCCOC(=O)/C=C1\CC[C@H]2[C@@H]([C@@H](O)C[C@@H]3[C@]2(C)CC[C@H](O)[C@]3(C)C(=O)OC)[C@H]1C 238741409 BEHATSBFTMUVJZ-SYRWKWAMSA-N 437.577 2.059 0 1 IEAF Cc1cnc(C(=O)N2C[C@H]3C[C@H](Oc4cnc(C(F)(F)F)cn4)[C@H]2C3)c(-n2nccn2)c1 261189234 YLFJSQKDYGUXAW-NFAWXSAZSA-N 445.405 2.462 0 1 IEAF COc1ccc(-c2noc([C@@H]3C[S@@](=O)CCN3C(=O)COc3ccccc3)n2)cc1 299860088 ZNEDVKGUMPVGJN-PBYQXAPXSA-N 427.482 2.456 0 1 IEAF CCn1nc(C)c(CNC(=O)C[C@@H]2C(=O)NCCN2Cc2ccc(F)cc2Cl)c1C 67840680 HABWBVCHWOLNCE-LJQANCHMSA-N 435.931 2.319 0 1 IEAF O=C(NCc1ccc(-c2ccon2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1 71331182 QPPFZYFEMYRULM-YPAWHYETSA-N 435.480 2.043 0 1 IEAF O=C(NCCCN1CCCC1)[C@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085288 GVQMGPSCQXOVHW-GOSISDBHSA-N 440.500 2.277 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N(C)C)[C@H]2N1Cc1cc(F)ccc1F 95881331 YRGWZYRCWNZNAV-NYOVRSMZSA-N 443.494 2.412 0 1 IEAF COc1ccc(-n2nccn2)c(C(=O)N2C[C@@H]3CN(c4nc(C)c(C)c(C)n4)C[C@H]3C2)c1 116822082 CRGMVRBMYZLLKD-QZTJIDSGSA-N 433.516 2.200 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3nccnc3Cl)CC1)[C@H]1CC[C@H]2[C@@H]2C[C@@H]12 195185148 KHOAMOKCCGVUEC-DYKIIFRCSA-N 443.979 2.309 0 1 IEAF CC(=O)C[C@]1(c2cc3c(=O)oc(C)cc3oc2=O)N[C@H](C(=O)O)Cc2cccc(F)c21 962905300 ZPWCOIVDFVZNQL-KSFYIVLOSA-N 427.384 2.015 0 1 IEAF CCOC(=O)[C@@]1(c2ccc(C3OCCO3)s2)NCCc2ccc(C(=O)N(C)C)cc21 962934994 XCXBEHJVPSODNM-JOCHJYFZSA-N 430.526 2.448 0 1 IEAF COC(=O)[C@@H]1CC(=O)[C@H](OC(C)=O)C[C@@]12c1ccsc1CCN2Cc1cccnc1 963002666 CZDBOYPWBSNHBD-LRXVAGHRSA-N 428.510 2.481 0 1 IEAF CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1NC1COC1 1772584867 XBAVFUADMAKJPD-MRXNPFEDSA-N 448.886 2.118 0 1 IEAF CN1CCOc2c1cnn1c(-c3ccc4cccc(NC(=O)C5CCNCC5)c4n3)nnc21 1857611738 XUBFCYANDUSCNL-UHFFFAOYSA-N 444.499 2.106 0 1 IEAF COC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@@](CO)(C(=O)OC)C5)[C@@H]43 2356430319 JBYCCXZYXHKELM-HVURCESRSA-N 426.513 2.453 0 1 IEAF CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3NCC2CCCCC2)c1 2356854203 RMSJHKFFXMCKII-NCYKPQTJSA-N 428.537 2.409 0 1 IEAF CC[C@H](N)C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O 28387194 VWDMCRIMEONDMI-KJJMTIBFSA-N 448.567 2.268 0 1 IEAF C[C@@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 95552734 TWPUKHJACMUQAZ-IUODEOHRSA-N 449.410 2.354 0 1 IEAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@@]3(O)CCC(=O)C[C@H]3O)c[nH]c2=O)C1 95586135 JBHMFFSKSHTICZ-SPEVKLISSA-N 429.513 2.439 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(C(C)=O)C1 95793754 GAURCZPPPQEJCT-OAQYLSRUSA-N 427.545 2.062 0 1 IEAF O=C(NCC1CCCCC1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccccn1 95880744 ZKBRAEFVRXSBDJ-JVODISISSA-N 436.556 2.104 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)CC(F)(F)C1 169699326 YUXZEMIJWVHEBX-NSHDSACASA-N 448.503 2.336 0 1 IEAF CCOC(=O)Nc1ccc(C(=O)NCc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)cc1 587228140 HALRHJSWLRVOOR-UHFFFAOYSA-N 445.501 2.312 0 1 IEAF COc1ccc([C@]2(CNC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426764 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Cc1c(N2C[C@@H](F)[C@@H]([C@@H]3C[C@H]3N)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 58542725 KCQPEFGWDSFBOO-XMLKLZHTSA-N 436.434 2.134 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N2CCC[C@@H](C(=O)N3CCNCC3)C2)cs1 82069555 WUDMMDMGZQPYEK-MRXNPFEDSA-N 428.558 2.493 0 1 IEAF O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCN(c2ncccn2)CC1 84687900 ZSUOWOIPJBDJFM-UHFFFAOYSA-N 449.490 2.023 0 1 IEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2Cc3ccccc3C[C@@H]2CO)nc1 199947997 ZQMWALMBDBGYSZ-GOSISDBHSA-N 427.530 2.156 0 1 IEAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc4c(cc3[nH]2)NC(=O)CC4)c1 587232091 SXNDPPFOZADWDW-UHFFFAOYSA-N 435.484 2.395 0 1 IEAF Nc1n[nH]c(C[C@@]2(c3ccccc3)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962644213 UCQXCFVAGYRPEG-KXBFYZLASA-N 433.390 2.371 0 1 IEAF CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962918510 IHAHRKQMUIZNBG-HTAPYJJXSA-N 443.406 2.115 0 1 IEAF CCN[C@H]1CC[C@H](CS(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)CC1 1857596115 DCLMAZOHJZIQAQ-JCNLHEQBSA-N 438.594 2.244 0 1 IEAF C[C@](O)(CCCCCCCCCCCCC[C@@H]1O[C@H](O)[C@H](N)[C@@H](O)[C@H]1O)CCC(=O)O 2356448108 OWCIHWWFLRMJBF-SCTSWAKVSA-N 447.613 2.440 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@@H](CNS(=O)(=O)C(C)C)C=C2C)CC1 2356813118 CDPBRCUDUTVAOQ-PWRODBHTSA-N 441.638 2.250 0 1 IEAF COc1ccc(CC(=O)N2CC[C@H](CC(=O)O)[C@@H](CCN3CCC(C(=O)O)CC3)C2)cc1 2356855136 QZSRDFKPJZNFEA-UXHICEINSA-N 446.544 2.364 0 1 IEAF CCOC(=O)[C@@H]1CCCN(C(=O)Cn2nc(C)c3c(C)n(-c4ccccc4)nc3c2=O)C1 15943137 PAEYAQZIWYCZPQ-QGZVFWFLSA-N 437.500 2.001 0 3 IEAF O=C1N[C@@H]2c3c(I)sc(I)c3[C@@H](O)[C@H]2O1 5847579 SZYJBEJSJAOHDJ-WDCZJNDASA-N 449.007 2.154 0 1 IEAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)[C@H](O)[C@@H](O)C(C)(C)O4 13436888 KANDATZVPJBSEB-HBCLNWRISA-N 428.437 2.389 0 1 IEAF biogenic,in-vitro CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(C[C@@H](O)COC[C@@H]3CCCO3)CC2)cc1 23674489 MXXCXUVBINDWMZ-NRSPTQNISA-N 440.606 2.063 0 1 IEAF CNC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@@H]1N2C 26400298 XVPWVWCBTABICH-CBBWQLFWSA-N 428.270 2.045 0 1 IEAF COc1cccc(OC)c1OC(=O)[C@@H](CN1CCOCC1)N1CCc2ccccc2C1 29565702 ZEKVAFNVIJGNEO-HXUWFJFHSA-N 426.513 2.368 0 1 IEAF Cc1ccc2ccc(NC(=O)CCNCCC(=O)Nc3ccc4ccc(=O)[nH]c4n3)nc2n1 58584084 QVIIUACTNDFDOM-UHFFFAOYSA-N 445.483 2.122 0 1 IEAF O=C1C(c2ccc3cc(S(=O)(=O)O)ccc3n2)=C(O)c2ccc(S(=O)(=O)O)cc21 68601145 OEOGGALELAXLCU-UHFFFAOYSA-N 433.419 2.351 0 1 IEAF biogenic C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82213271 RDIUJKUNNHBFNZ-LRQRDZAKSA-N 440.544 2.071 0 1 IEAF Cc1nc([C@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(=O)N(C)C)no1 146366281 PRGRKYDWXVMRQI-SFHVURJKSA-N 441.410 2.325 0 1 IEAF CCCOC(=O)c1ccccc1N1CCN(CCCn2c(O)c3n(c2=O)CCCC3)CC1 169716663 IZTGYPWQXQNKRJ-UHFFFAOYSA-N 442.560 2.471 0 1 IEAF CC(C)C(=O)Nc1cccc(N2CCN(CCCn3c(O)c4n(c3=O)CCCC4)CC2)c1 169716679 KQMAQHZNXIYHOY-UHFFFAOYSA-N 441.576 2.499 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@H](C)CC 299878380 IYEMEHUPTVQDQS-DUXKGJEZSA-N 444.576 2.113 0 1 IEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586929802 GGGIJKJEPYAICJ-UHFFFAOYSA-N 440.485 2.157 0 1 IEAF CCCCCOC(=O)[C@@H](N[P@]1(=O)CO[C@H](COc2ncc(F)c(=N)[nH]2)CO1)C(C)C 1911580649 VYGWOVAYVUFJLS-YINQUODUSA-N 448.432 2.321 0 1 IEAF O=C1CC[C@@]23C=CC(=O)NCCCCN4CCCN(C4)C(=O)C=Cc4ccc(c2c4)O[C@H]3C1 2356465404 QRISBUREZACXLK-JYFHCDHNSA-N 449.551 2.410 0 1 IEAF CCNc1cccnc1N1CCN(C(=O)c2ccc(C(=O)NCc3ccccn3)cn2)CC1 13818458 GPMQXABZAKCYRF-UHFFFAOYSA-N 445.527 2.196 0 1 IEAF CC[C@@H](NC1=NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1 29037900 XNHRVFGEAAEHMG-CYBMUJFWSA-N 433.490 2.204 0 1 IEAF O=C1Nc2cccnc2N(C(=O)CN2CCCC[C@H]2CN2CCOCC2)c2ccccc21 29463708 MYYVOWFUESVPAD-SFHVURJKSA-N 435.528 2.499 0 1 IEAF COC(=O)Cc1c(C)nc2nc(NCc3cc(Br)ccc3OC)nn2c1O 100695438 UFQNRMXTMDXUOI-UHFFFAOYSA-N 436.266 2.237 0 1 IEAF CC(=O)Nc1ccc2c(c1)/C(=C/c1cc3c([nH]1)CCN(C(=O)N1CCOCC1)C3)C(=O)N2 101687581 CPHGZDSYMREPNQ-UNOMPAQXSA-N 435.484 2.276 0 1 IEAF NC(=O)c1cccc2c(NCc3cccc(-n4c(=O)[nH]c5ccccc5c4=O)c3)ncnc12 114348875 XMRRAMCZSADQLM-UHFFFAOYSA-N 438.447 2.333 0 1 IEAF CC(C)NCC(=O)Nc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc3c(c1)OCO3)CC2 149724366 PZXACVYTVNXOME-UHFFFAOYSA-N 447.495 2.402 0 1 IEAF Oc1nc(=Cc2nccs2)c(O)nc1=Cc1ccc(OCCCc2cccnc2)cc1 253859713 KSNMKXIQIDGPRF-UHFFFAOYSA-N 432.505 2.409 0 1 IEAF Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@H]3c2ccc(F)cc2)c1 587370533 XSQMNBYSXKNEST-LJQANCHMSA-N 443.456 2.067 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(S(C)(=O)=O)cc1N1CCOCC1)[C@@H](C2)C3=O 587447521 BFUGRIWKKPJRGW-JTSKRJEESA-N 429.494 2.424 0 1 IEAF O=C(O)c1ccc(C2=NC(=O)C3(CCN(S(=O)(=O)c4cccc(Cl)c4)CC3)N2)cc1 1857761439 ZYCAVADEPRJKFF-UHFFFAOYSA-N 447.900 2.138 0 1 IEAF CCc1cc(-c2nnn(CC(=O)OC)c2-c2ccc(S(C)(=O)=O)cc2)c(O)cc1O 1911584820 PNRPGDWZEZWCLV-UHFFFAOYSA-N 431.470 2.162 0 1 IEAF O=C1CC[C@]23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)O[C@H]3C1 2356766732 YIWJEBPTHXRHQF-DHLKQENFSA-N 437.540 2.014 0 1 IEAF CC1CCN(S(=O)(=O)Nc2ccc(OCCNC[C@H](O)c3cccnc3)cc2)CC1 26960392 DXBKLWJCYMYTSZ-NRFANRHFSA-N 434.562 2.172 0 1 IEAF O=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1 45505929 WWPKBJCPIBCDLA-UHFFFAOYSA-N 446.438 2.399 0 1 IEAF O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)NCc1ccccc1 95907027 RAPYHHSVHVGWQE-UEXGIBASSA-N 441.484 2.152 0 1 IEAF CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CC(c3ncccn3)C2)CC1 117623693 SEVRGDCXHGHYDX-WOVMCDHWSA-N 441.561 2.172 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 169370812 JXBYZKQDZBIQDJ-FHBCLOHASA-N 439.556 2.367 0 1 IEAF C/C(=C\[C@@H](C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@](O)(C(=O)O)[C@@H](C(=O)O)O2 238735323 OGZGHCQBWIVONK-PNCQTTOOSA-N 448.468 2.221 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3C[C@H](Oc4cnc(C(F)(F)F)cn4)[C@H]2C3)n1 261085317 CKWUPZSHHCLQII-YUELXQCFSA-N 445.405 2.462 0 1 IEAF Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)n1 587182452 PCUQRNCDGSYZDA-UHFFFAOYSA-N 434.096 2.357 0 1 IEAF COC(=O)C(=O)C[C@@]1(c2cnn(C)c2C)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587583026 SVDHQIUCRQNMKS-CVDCTZTESA-N 436.420 2.423 0 1 IEAF CN(C)C1CN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CCC(F)(F)C3)n2)C1 653754933 VFYAGNVICJDOCH-UHFFFAOYSA-N 441.433 2.318 0 1 IEAF C[C@@H]1CC(C)(C)N2C(=O)[C@]3(c4cccc1c42)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963225934 WEXOSBVMJREOEC-DPIYVYFMSA-N 445.523 2.044 0 1 IEAF COC(=O)CCN1C=C[C@@]2(N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2cc(OC)ccc21 963468911 JAMGLKVNYZHGIX-MHECFPHRSA-N 438.480 2.449 0 1 IEAF CC(C)=CCC/C(C)=C\CCC(C)=CCNCCNCCNCCNCCNCCN 1911580808 HPPXRRKZAIJQHE-BLIKMNLQSA-N 436.733 2.312 0 1 IEAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@@H]2[C@@H]1O 2356317870 XIIFBTOKVDWGPQ-PZMQMKGLSA-N 443.588 2.498 0 1 IEAF CCCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c2c1=O 2457592 MRDOYSMMGQGWCL-UHFFFAOYSA-N 440.591 2.103 0 1 IEAF O=C(NC1CCCCC1)N1CCN2C(=O)[C@@H]3C[C@H](SCc4ccco4)CN3C(=O)[C@@H]2C1 4277748 NWBVUFRNKSZVCR-FHWLQOOXSA-N 446.573 2.051 0 1 IEAF biogenic COC(=O)[C@@H]1[C@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 29206002 HBBWXDGEOJRBFR-MGNXDGSBSA-N 446.452 2.018 0 1 IEAF biogenic O=C(N[C@H]1CC(=O)N(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O)C1CCCCC1 40917007 ZQBODECACMFOKS-FQEVSTJZSA-N 446.979 2.286 0 1 IEAF CC(C)[C@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCCN1CCCC1 82082281 JVSYMMIEMFGYGL-FQEVSTJZSA-N 442.516 2.427 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 82219545 AZDQZPZMIFRDND-LKUPVBHCSA-N 448.560 2.381 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]2N1Cc1ccncc1 95797430 LHQHXPVBDYPPGZ-RLBLXZPPSA-N 449.482 2.386 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccn1 95880651 VCCYXUVIQJDVJF-CJTFWIGWSA-N 444.535 2.210 0 1 IEAF CO[C@@H]1C[C@@H]2[C@@H]3C(=O)N(Cc4ccc(F)cc4)C(=O)[C@@H]3[C@H](c3ccc(C(=N)N)cc3)N2C1 96941605 XIDVPSOTONMTDZ-MJCUULBUSA-N 436.487 2.055 0 1 IEAF COc1cccc(C(=O)O[C@@H]2[C@H](Cc3ccccc3)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@@]32O4)c1 102321859 MPKZBFYOPOARMA-DLBZZEGUSA-N 441.505 2.231 0 1 IEAF CS(=O)(=O)Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103245503 PIFAEBMMXJCYHZ-YSPLYIDXSA-N 440.587 2.209 0 1 IEAF CN1CCN(CCCNC(=O)[C@H]2C(c3ccc(N(C)C)cc3)=NO[C@H]2c2ccoc2)CC1 104215719 LFKVYSUETPKRHJ-GMAHTHKFSA-N 439.560 2.191 0 1 IEAF COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(C)C(=O)[C@@H]23)cc1 61921220 IAPTWBIHQOSNHB-QTDDQOEGSA-N 433.508 2.132 0 3 IEAF O=C(NCc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1ccccc1F 95881234 VJURSMOFKWISFI-KYXKYNKESA-N 447.510 2.468 0 3 IEAF CC1CCN(CCCNC(=O)CCCc2nnc3n(C)c(=O)c4sccc4n23)CC1 9431277 XCHYKBNJZQPKCK-UHFFFAOYSA-N 430.578 2.204 0 1 IEAF COCCn1c(=O)c(NCc2ccc(OC)cc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82204998 WICGEPIPSFFMFZ-IBGZPJMESA-N 436.512 2.314 0 1 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@H]2C1 95795901 QMVYBQNWUZQTJV-AKFKNWHVSA-N 438.499 2.417 0 1 IEAF O=C1[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 194944543 UYKWDOHZJVLLMU-XYNCURNNSA-N 441.963 2.085 0 1 IEAF COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCC4)C(N)=N3)c2)nc1 217745770 OZYSRAOIIBLDKF-FQEVSTJZSA-N 446.504 2.405 0 1 IEAF CN1C(=O)C[C@H]2CN[C@@](C)(c3cn(-c4cccnc4Cl)c(=O)nc3O)c3cccc1c32 963037891 YOJOQXHICUAYQS-AMXDTQDGSA-N 437.887 2.303 0 1 IEAF O=C(c1ccccc1F)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 206063822 QKVAPJPWIRXVQE-JENIJYKNSA-N 433.277 2.400 0 3 IEAF CCOC(=O)C(=O)[C@@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC)Oc1ccccc1 13833723 RWWIHPQCCCEIPW-CEXWTWQISA-N 434.533 2.402 0 1 IEAF CCCc1cc(=O)oc2cc(C)cc(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)c12 15956522 DQPBJOLIGRNDDX-RCDICMHDSA-N 446.500 2.164 0 1 IEAF biogenic COC(=O)C1=C[C@@H]2C[C@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 17215305 HFPFDNPWRBBKBQ-XFHUWUJUSA-N 432.519 2.421 0 1 IEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@H](OCCF)c2cc3cc(O)ccc3nc2-1 27196969 QLEZHNBHUZIVIJ-IRLDBZIGSA-N 426.400 2.270 0 1 IEAF CN(C)Cc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(C)(=O)=O)cc2)cc1 28572377 RYELYIZUUZHFFJ-UHFFFAOYSA-N 426.546 2.385 0 1 IEAF O=C(O)CC[C@H](NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O 31897575 OEYLBZNPROVCHX-HNNXBMFYSA-N 439.380 2.168 0 1 IEAF Cc1cnc2c(c1)S(=O)(=O)N(Cc1ccc(Br)cc1F)CN2CC(=O)O 71317477 KDZDLJGYNGDUHR-UHFFFAOYSA-N 444.282 2.345 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F 95886060 FXMWNYSQGNRSJG-IZBJGVDFSA-N 449.548 2.098 0 1 IEAF COc1ccc(-c2cc3c(NC(P(=O)(O)O)P(=O)(O)O)ncnc3s2)cc1 103276780 VVARWOQWESGDHU-UHFFFAOYSA-N 431.303 2.418 0 1 IEAF CNS(=O)(=O)c1cccc(Nc2cc(Nc3cccc(S(C)(=O)=O)c3)ncn2)c1 198461211 WTEYTDJQFFFYQQ-UHFFFAOYSA-N 433.515 2.275 0 1 IEAF O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)cc(Cl)c4)C3=O)cc(F)c2N1 221276999 FYHNJMPUXDFQCU-NRFANRHFSA-N 449.841 2.287 0 1 IEAF O=C(/C=C\c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)Nc1ccc(F)cc1 587167604 WTMHOMQMLFGNBT-FPLPWBNLSA-N 430.461 2.375 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(S(=O)(=O)N4CCN(C)CC4)cc1)[C@@H](C2)C3=O 587448039 HHJHDWCKAMRKAN-PGRDOPGGSA-N 428.510 2.120 0 1 IEAF CCOC(=O)C(=O)C[C@]1(c2nccs2)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963225467 DHSCTRMITIXRME-KKSFZXQISA-N 425.466 2.056 0 1 IEAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(C(=O)N(C)OC)sc21 1857589320 VFLCTBFKTBUXTM-UHFFFAOYSA-N 431.514 2.056 0 1 IEAF Cc1cnc(C(=O)N[C@H]2CCO[C@@H](O)[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 1857756888 CHHQBZRMBDOPBI-UCNVEGJOSA-N 425.510 2.302 0 1 IEAF Cc1cc(=Nc2nn(C3CC3)c3ccc(S(=O)(=O)N4CCC(O)CC4)cc23)cc[nH]1 1911577789 GZASVDGUKLGRBD-UHFFFAOYSA-N 427.530 2.386 0 1 IEAF CCCCCC[C@H](O)CCCCCCC=C[C@H](OC(C)=O)[C@H](O)[C@@H](O)[C@@H](N)C(=O)O 2356439382 PBKBHDLANIOIKK-WHZJULEDSA-N 431.570 2.280 0 1 IEAF Cc1c(N2C[C@@H](F)[C@@H](C3(N)CC3)C2)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12 3821075 QEYBPFUVEMVIQD-WUHRBBMRSA-N 436.434 2.278 0 1 IEAF CCCCCC[C@H](CC(=O)O)S(=O)(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC 26393530 ASDFSRLSQAJCEU-MSOLQXFVSA-N 428.551 2.085 0 1 IEAF Cn1cc(-c2cccnc2)cc(NC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1=O 29128589 GGLPGJVTKZZDOK-UHFFFAOYSA-N 445.483 2.354 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@@H]3c4ccccc4N(C)[C@H]3C2=O)CC1 40411957 ZQYCWXVKNCHKFC-JJEOQYAHSA-N 449.555 2.317 0 1 IEAF COc1cc(Cc2cnc(N)nc2N)cc(OCCCC[C@H]2SC(=O)NC2=O)c1OC 45229579 YSOXGQDMAQYTJU-OAHLLOKOSA-N 447.517 2.150 0 1 IEAF CC(=O)N1CCN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccco3)n2)CC1 82142548 WIPZBCOHMOMIBU-UHFFFAOYSA-N 449.467 2.064 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2Cc1ccccn1 95881316 SWJYPFWGNXQMPG-AZOUXBGGSA-N 444.535 2.162 0 1 IEAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC3(CCNCC3)C2)cc1 96271684 JJBBFESNXJXMLY-UHFFFAOYSA-N 429.546 2.168 0 1 IEAF O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1)NCCO 299865789 UNRIGVDTQLYALV-JFZJXZSWSA-N 429.557 2.328 0 1 IEAF CNS(=O)(=O)c1ccccc1-c1cnc2c3n[nH]cc3c(=O)n(CC(F)(F)F)c2c1 473132416 SAXKWPLSGQABLQ-UHFFFAOYSA-N 437.403 2.410 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=N)NC(=O)c2ccc(C)cc2)[C@H]1NC(C)=O 1772613433 VZSBBRACVLGNEG-XUVXKRRUSA-N 444.532 2.111 0 1 IEAF Nc1ncnc2c1c(-c1ccc3c(c1)OCO3)cn2[C@H]1CCN(S(=O)(=O)C2CC2)C1 1857538995 VGTMLPHZWIKMHW-ZDUSSCGKSA-N 427.486 2.148 0 1 IEAF Cn1cc(NC(=O)c2cc(NC(=N)c3ccccc3)cn2C)cc1C(=O)NCCC(=N)N 1857617390 OUQPUKQKLMRVDS-UHFFFAOYSA-N 434.504 2.109 0 1 IEAF OCCN=c1nc2c(ncn2C2CCCC2)c(Nc2ccc(CN3CCOCC3)cc2)[nH]1 1857639431 PKVOUSJXYWVTGK-UHFFFAOYSA-N 437.548 2.343 0 1 IEAF C[C@H](C(=O)NCc1ccco1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@@H]2[C@H]1O 2356835972 KVXNTVMNDBJOGO-RCSLOVLJSA-N 426.579 2.273 0 1 IEAF C[C@@H]1[C@@H](NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)CCC[C@H]1C 104146541 FJFWDXCJWLJHKP-MDZLAQPJSA-N 433.372 2.036 0 3 IEAF Nc1nc(N)c2c(n1)NC[C@@H](COC(=O)CCc1ccc(C(=O)c3ccccc3)cc1)N2 13474465 WODFQUPEKIJREU-KRWDZBQOSA-N 432.484 2.254 0 1 IEAF Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)C(=O)N[C@@H](C)C(=O)O)c(C)c3cc2c1C 16032507 IDWOUQWBYRONHF-OLZOCXBDSA-N 442.468 2.491 0 1 IEAF biogenic O=C(NCCCN1CCOCC1)c1ccc2c(=O)n(Cc3ccccc3)c(S)nc2c1 20102495 DNATVQWKIMNHCU-UHFFFAOYSA-N 438.553 2.186 0 1 IEAF O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](/C=C/CF)Cc1ccccc1 26294480 CYCWNUHFFZNJNW-ACGJQVIASA-N 427.476 2.282 0 1 IEAF Cc1ccc2c(c1)C(=O)C(=O)N2Cc1cn(CCN2C(=O)C(=O)c3cc(Cl)ccc32)nn1 84652684 AEOIWFDGWWKUCZ-UHFFFAOYSA-N 449.854 2.199 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@@H]1C[C@@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@@H]1c1ccc(O)cc1 95784413 UAGRCUBXCLLEBX-PLACYPQZSA-N 437.471 2.111 0 1 IEAF O=C1Nc2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2C1=O 103229750 OGDQDUMQYIUQGD-UHFFFAOYSA-N 439.415 2.351 0 1 IEAF COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2cn[nH]c12 167321624 MFLKGEABCKJOJW-UHFFFAOYSA-N 436.516 2.484 0 1 IEAF CCO[P@](=O)(CNC(C)=O)N[C@@H](Cc1ccccc1)N[C@H](CCSC)C(=O)O 299807722 HBPDXBYVKDZYAK-VCCADOKLSA-N 431.495 2.264 0 1 IEAF C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@@H]1CO)c1ccc(-c2ccccc2)cc1 299819792 DKPSDLOOZAIQNL-XUAKBXRPSA-N 429.557 2.361 0 1 IEAF O=C(c1cccc(F)c1-n1nccn1)N1[C@H]2CC[C@H]1[C@@H](N=c1cnc(C(F)(F)F)c[nH]1)C2 473179586 VJNCVJJGZXZNOK-CQDKDKBSSA-N 447.396 2.495 0 1 IEAF Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CN(C)CCO3)cc2c1 1857634007 IFNXSXQHKTXMNV-PMVMPFDFSA-N 432.524 2.319 0 1 IEAF COc1ccc2c(c1)[C@]1(CN3CCn4c(ccc(-n5cnc(C)c5)c4=O)C3=O)C[C@@H]1CO2 1857775004 CQJCKELSGVIJGO-GYCJOSAFSA-N 432.480 2.157 0 1 IEAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC[C@@]13C[C@@]4(C)C(=O)[C@@](C)(C[C@H]12)[C@@]1(COC(=O)[C@H]1[C@H]4O)O3 2356717414 QXZNFWAPDOLGEF-QLYWTLKWSA-N 444.524 2.341 0 1 IEAF C[C@H](C(=O)NCCCN1CCOCC1)N1Cc2ccc(-c3cccc(F)c3)nc2C1=O 205216250 QSYSZIOHHOOCNA-MRXNPFEDSA-N 426.492 2.071 0 3 IEAF O=C(N[C@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1)c1cccnc1 3840462 BFLFMWUMSHCBDB-BBRMVZONSA-N 429.274 2.199 0 1 IEAF biogenic CNC(=O)CCCN1C(=O)[C@@H](CCOc2ccccc2CC(=O)O)Oc2ccccc21 12358396 KKXBKNOVVHCOAM-HXUWFJFHSA-N 426.469 2.403 0 1 IEAF CCO[P@@](=O)(CNC(C)=O)N[C@H](Cc1ccccc1)N[C@@H](CCSC)C(=O)O 28223999 HBPDXBYVKDZYAK-HCXYCLFGSA-N 431.495 2.264 0 1 IEAF Nc1nc(NCCN2CCN(c3ccc(F)cc3F)CC2)cc2nc(-c3ccco3)nn12 28386582 LFRLPQNSZFWXSR-UHFFFAOYSA-N 440.458 2.479 0 1 IEAF CC(C)(CNc1ccc(Cl)c(CC(=O)NCCONC(=N)N)c1F)c1ccccn1 28956091 XAUBSIHTLVRBTE-UHFFFAOYSA-N 436.919 2.337 0 1 IEAF CC(C)(CNC(=O)C1(O)CC1)CN(C1=NS(=O)(=O)c2cc(F)ccc21)c1ccccc1 64573798 MNNQTISIQQTEHL-UHFFFAOYSA-N 445.516 2.449 0 1 IEAF COc1cc2nc(NC[C@@H](O)CO)nc(NCCCN(C)c3ccccc3)c2cc1OC 82130745 QAVYHZDREMVLOF-QGZVFWFLSA-N 441.532 2.351 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CC1)CC31CN(C(=O)C2CCOCC2)C1 95666264 NKRTXQOPIXWTKG-OAQYLSRUSA-N 439.556 2.442 0 1 IEAF CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C 95690486 ZSTCKDKDRWVGTF-XGHQBKJUSA-N 435.565 2.488 0 1 IEAF CC[C@@]1(C2(c3ccccc3)CCNCC2)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963221352 XOJNXMCQRRWIQH-RLSLOFABSA-N 433.556 2.094 0 1 IEAF CC[C@H](C)[C@@H]1C(=O)N2c3ccccc3[C@@]3(O)C[C@H](n4cnc5ccccc5c4=O)C(=O)N1[C@@H]23 1772583909 UUHMOOKGLMRCGV-UEHCWCPDSA-N 444.491 2.159 0 1 IEAF CO[C@@H]1C(C)=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]2(O)[C@@H]1C=CC[C@H](C)[C@@H](O)[C@@H](C)O 2356839746 LXRTXCAMHFXNMG-HHGYKOFDSA-N 443.584 2.380 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 61945566 UFUZIZHGCRPPRZ-SXWKCWPCSA-N 443.592 2.243 0 3 IEAF CC[C@@]1(N2C(=O)c3c(F)c(F)c(F)c(F)c3C2=O)C(=O)NC(=O)N(c2ccccc2)C1=O 3989435 VEOGKKIBNYROKA-HXUWFJFHSA-N 449.316 2.271 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@@H]4C=CC=C[C@H]43)N2C1=O 40937907 OIRIAMGQIQWDIM-LRUMIOPTSA-N 442.604 2.040 0 1 IEAF CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@H](C)[C@H](OC)CN(C)C2=O 95691305 WSQGAZSPVHYFJA-TWOQFEAHSA-N 449.548 2.014 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 95908243 DVSDZAFRLPIFCS-NRSPTQNISA-N 438.590 2.268 0 1 IEAF CC(C)(C)OC(=O)N[C@@H](CCC(=O)Nc1nc(=O)[nH]cc1F)C(=O)OCc1ccccc1 169324972 MRNKDBPQOJPDJD-HNNXBMFYSA-N 448.451 2.264 0 1 IEAF 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COC(=O)[C@@H]1CN(Cc2ccc(F)cc2)CCS(=O)(=O)N1Cc1ccc(OC)cc1 96020348 CHAHGKCXGIMGEY-FQEVSTJZSA-N 436.505 2.024 0 3 IEAF Cc1cc(CCC2CCN(S(=O)(=O)CC3(N(O)C=O)CCOCC3)CC2)c(C)cn1 71294844 FUEVUWZQRYWTIH-UHFFFAOYSA-N 439.578 2.070 0 1 IEAF O=C(CN1CCC[C@H]1C(=O)O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)NC5=O)CCC4 73277535 OZAZBQXCYMGZDD-INIZCTEOSA-N 431.448 2.425 0 1 IEAF O=C(C[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 95904712 DIBYFULSGUGGHN-ZCNNSNEGSA-N 431.439 2.477 0 1 IEAF COc1cccc(CNC(=O)Cn2nc3c(c2C)N(C)S(=O)(=O)c2ccccc2-3)c1 103196834 WNGHFRHCKUWYLF-UHFFFAOYSA-N 426.498 2.322 0 1 IEAF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3c(O)nc(N)nc3[nH]1)C(=O)OC2 586915189 HVUOUJJJBUKANP-WTKPLQERSA-N 425.445 2.455 0 1 IEAF CCNC(=O)[C@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 1772586771 YMHUMAFITFVBHE-YLJYHZDGSA-N 425.533 2.211 0 1 IEAF COC(=O)C1=C(CN2CCOCC2)NC(c2ccc(F)cn2)=N[C@@]1(C)c1ccc(F)cc1 1857554966 BWEYSUGKXCDCJN-QHCPKHFHSA-N 442.466 2.384 0 1 IEAF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@@](O)([C@H]1CS(=O)(=O)C(=O)N1O)C2 2356391904 IBVAIJGYBYPIEI-UJRRQQMQSA-N 443.518 2.087 0 1 IEAF COC(=O)[C@@H](C)N[P@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1 26003340 CHUKKLIYPXUHTH-XVIGQAENSA-N 448.420 2.194 0 1 IEAF COc1ccccc1-c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C)[C@@H](C(=O)N2CCCCC2)[C@@H]1CO 95881679 AZPGNHDLGJGRCW-PJIZGREPSA-N 437.540 2.130 0 1 IEAF CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 95886205 LCZNFVPWBVKYCJ-OSRSDYAFSA-N 446.331 2.271 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 100061613 DOMYQNDGOGEIPJ-OPYAIIAOSA-N 435.480 2.171 0 1 IEAF CC(C)n1c(=O)c(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3CCS(=O)(=O)O)cc2ccccc21 101804843 MMXOASVHIULOKY-BCDXTJNWSA-N 447.557 2.195 0 1 IEAF CCCOc1cccc([C@@H](O)c2nc(OC)cc(OC)n2)c1NS(=O)(=O)C(F)F 103181014 NKIJKLFEGZQSLG-OAHLLOKOSA-N 433.433 2.329 0 1 IEAF COCCNC(=O)Nc1nc2ccc(OS(=O)(=O)c3c(F)cccc3F)cc2[nH]1 165941771 SMKGLAAOEUNWFQ-UHFFFAOYSA-N 426.401 2.377 0 1 IEAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)C[C@@H](C)O3)cc1 206062975 CJZVNLFAKHHFLL-NOUNCIRDSA-N 448.943 2.332 0 1 IEAF CCN(C(=O)c1cc(F)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cn2)n1 210456385 RZCMTDYOBWWFIA-ZDUSSCGKSA-N 439.430 2.145 0 1 IEAF C[C@H](O)CNC(=O)[C@H]1C[C@@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 299876159 FDYADCLMOATNAT-LDQXTDLNSA-N 440.544 2.071 0 1 IEAF NC(=O)C12CC3C[C@@H](C1)C(NC(=O)C1(CNC(=O)c4ccc(F)c(F)c4)CC1)[C@@H](C3)C2 1772651500 UJBVBRTUJRQBTF-FEYNRKNMSA-N 431.483 2.271 0 1 IEAF CCOC(=O)CNC(=O)[C@@H]1c2cc(OC)c(OC)cc2C(=O)N(C)[C@H]1c1ccccc1F 4034460 HRIFOWFYQVXRCX-RTWAWAEBSA-N 444.459 2.433 0 3 IEAF NCCCNCCCCNCCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 40585052 VDVALJIDMKKPHJ-UHFFFAOYSA-N 444.951 2.335 0 1 IEAF Cc1ccc2sc(S(=O)(=O)N[C@H]3CCCN(CC(=O)N4CCCC4)C3=O)cc2c1 73164912 KYXOUQUPDZTCFJ-INIZCTEOSA-N 435.571 2.101 0 1 IEAF CCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O 82167593 WHZGILOMWCHTGD-HXUWFJFHSA-N 444.576 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Cc1nnc2n1-c1ccc(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)cc1CC2 40867184 NLVXKTBEVXUTDT-UHFFFAOYSA-N 430.512 2.071 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(C)=O)O2 95710684 UUOCJBRUULBREA-MCFFVMPBSA-N 441.528 2.456 0 1 IEAF COc1cc(N2CCN(C)CC2)ccc1Nc1ncc2c(n1)N1CCC[C@H]1CC(=O)N2C 95771627 JNYFWESQXFKIGG-KRWDZBQOSA-N 437.548 2.316 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 100679517 KHOAMOKCCGVUEC-LHIBYTEYSA-N 443.979 2.309 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 169291178 GFWCASGSHHDONA-CJJLBDBPSA-N 441.487 2.242 0 1 IEAF CNC(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1CC(C)C 169701762 DDAIALVHJKPTHN-UHFFFAOYSA-N 435.492 2.352 0 1 IEAF Cn1cc(-c2cc3c(-c4cc(N5CCN(CCCO)CC5)ncn4)n[nH]c3cc2F)cn1 225563601 FAVZCNHYNCFYPN-UHFFFAOYSA-N 436.495 2.064 0 1 IEAF COc1cccc2c1[nH]c(=N)n1nc(CN3CCN(c4cnn(C(C)(C)C)c4)C[C@H]3C)nc21 473248371 NJFOJBCWSPNWOZ-OAHLLOKOSA-N 449.563 2.361 0 1 IEAF NC(=O)c1c(NC(=O)c2ccc(CN3CCOCC3)cc2)sc2c1CC[C@H](CO)C2 1772640977 LVAXPNLWVSQKIP-HNNXBMFYSA-N 429.542 2.029 0 1 IEAF CN(C)Cc1ccc(S(=O)(=O)N2CCC(NC(=O)c3cc(C4CC4)on3)CC2)cc1 1857536147 JDEQZHRIIJULBC-UHFFFAOYSA-N 432.546 2.197 0 1 IEAF CC(=O)O[C@@H]1CC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H]2[C@](C)(O)[C@H](O)C=C[C@@]2(C)[C@H]1OC(C)=O 2356637634 YWDXFKMLCKVVHC-CTXXSDHQSA-N 448.512 2.136 0 1 IEAF O=C(c1ccc(F)cc1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 206064058 VHJIMBKYWGVJMY-LNLFQRSKSA-N 433.277 2.400 0 3 IEAF CCOc1ccccc1C1=NO[C@H](c2ccc(OC)c(OC)c2OC)[C@H]1C(=O)NCCO 4152163 YTBROZDMLHXSSK-AZUAARDMSA-N 444.484 2.311 0 1 IEAF COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@H](C)C[C@H]2N)C(=O)O)cc1 13442333 YUOMCSBLOMSMSI-ZSVCLKMESA-N 442.512 2.378 0 1 IEAF O=C(O)[C@H]1NCCN(C(=O)c2ccc(-c3ccccc3Br)cc2)[C@H]1C(=O)O 13642329 VIAYYCHNLYHTSB-JKSUJKDBSA-N 433.258 2.068 0 1 IEAF Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1O)O2 27215506 WPHHUDOBVBINRM-XYSCPGAMSA-N 448.560 2.156 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)O 36153341 NULRTLVWXFIIBM-LGKHCZOZSA-N 444.528 2.157 0 1 IEAF CCCN(CCOC)C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49066928 WDZHRRYAZMNSLW-IBGZPJMESA-N 446.519 2.423 0 1 IEAF CCOC(=O)N1CCC(/N=c2\c(O)c(O)\c2=N/C2CCN(Cc3ccccc3)CC2)CC1 103533205 FXJODAPEDPLRTB-GLGFVMGMSA-N 440.544 2.060 0 1 IEAF COc1cc([C@@H]2c3cc4c(c(OC)c3[C@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1O 238767560 HCKCVXCPSCVJQG-QOQPWIFLSA-N 430.409 2.115 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587760007 NNLLUAKCKQLVOH-XTZNXHDOSA-N 427.270 2.082 0 1 IEAF COc1cccc(CN[C@H]2CCC[C@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1 2356301613 BYOOEPBHXHLXKZ-OALUTQOASA-N 428.533 2.415 0 1 IEAF COc1cc(C)c(C(=O)OCC2=C[C@@H]3CC(C)(C)[C@H](O)[C@@H]3[C@]3(C)C[C@H](O)[C@]23O)c(O)c1 2356505652 LBEGSQVVWJVFHH-ZUJPOXBWSA-N 432.513 2.331 0 1 IEAF Cc1cc(C(=O)N[C@H]2CCN3C(=O)c4cc(-c5ccsc5)ccc4NC(=O)[C@H]23)nn1C 3839534 DXTJKRBEWGZZNQ-HKUYNNGSSA-N 435.509 2.422 0 1 IEAF biogenic Cc1nc(N(CCO)CCO)c2nnn(-c3ccc(C(C)C)cc3Br)c2n1 13794719 KWYGJNOSBZLSIX-UHFFFAOYSA-N 435.326 2.196 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cc(Cl)ccc4c3)[C@H]2SC1 40434060 HLNLVZGXLFKQFQ-SPYBWZPUSA-N 431.901 2.252 0 1 IEAF COc1ccc(C2=Nc3c(C(C)(C)C)nn(CCO)c3C(=O)NC2)cc1-c1cnn(C)c1 96922841 WNDGHBGOWDZMFV-UHFFFAOYSA-N 436.516 2.446 0 1 IEAF CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)NC(C)(C)C)c1=O 148569241 RTRKFTBOAUFQQC-UHFFFAOYSA-N 440.475 2.106 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NC(=O)c4ccc(F)cc4F)nc23)N1 205025769 XGACHZITAXTTLM-RZNTYIFUSA-N 439.382 2.014 0 1 IEAF C[C@H](NC(=O)N(C)C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)n3)C2)cc1 261087094 CTOWHAFTNALSOM-FXAWDEMLSA-N 440.548 2.303 0 1 IEAF CCCCNS(=O)(=O)c1ccc2nc(CCc3ccc(S(N)(=O)=O)cc3)[nH]c2c1 586930731 WNVMJNPYDZKYGA-UHFFFAOYSA-N 436.559 2.074 0 1 IEAF COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(F)(F)F)c(C)cn23)n(C)c1=O 621431354 PMDOQRCEVTZUKP-LLVKDONJSA-N 449.389 2.200 0 1 IEAF COCCN1C[C@H]2[C@@H](C1)[C@@H]2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC2)n1 653680446 BABLLHFCEWJSLV-UOIKSKOESA-N 432.475 2.224 0 1 IEAF Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCCN4C[C@@H](C)C[C@@H](C)C4)C3)sc2n1 8933790 JOCSURVIEWAIJI-SOLBZPMBSA-N 446.621 2.160 0 3 IEAF CCN(CC)C(=O)C1=C(C)N(CCCOC)C(=O)[C@@H](CC(=O)NCCc2ccccn2)C1 61922964 ZYOLZJWEYKOJKK-LJQANCHMSA-N 444.576 2.158 0 3 IEAF COCO[C@@H]1CC(=O)OC[C@H](C)C(=O)O[C@@H](C(C)C)C(=O)N(C)[C@H]1Cc1ccccc1 29324881 ABJHZTBPBIEJNR-ROPHOZQPSA-N 435.517 2.196 0 1 IEAF CN(C)C[C@H](O)COc1ccc2c(c1)OCC(c1ccc(OC[C@H](O)CN(C)C)cc1)=C2 95601055 IHOIZOWOLOPNOK-YADHBBJMSA-N 442.556 2.222 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1 95867855 VUGNYPCFYXWXRZ-LJQANCHMSA-N 427.526 2.064 0 1 IEAF C[C@@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1nc(CCOc2ccccc2)no1 221666201 DIDRDLJTUVCPRG-IIAWOOMASA-N 440.460 2.360 0 1 IEAF Cc1noc(C)c1S(=O)(=O)N1CCN(c2ccc(N3CCCC(C)(C)C3)nn2)CC1 1772602788 ZJTPWNRJJWBBAU-UHFFFAOYSA-N 434.566 2.219 0 1 IEAF CC(=O)NS(=O)(=O)c1ccc([C@H](C)NC(=O)c2cc(-c3ccccc3)nn2C)cc1 1857599575 ALORMMGXOAQIFS-AWEZNQCLSA-N 426.498 2.403 0 1 IEAF CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2C[C@@]3(OC2(C)C)[C@H](C)CC[C@H](O)[C@@]13CO 2356353958 DTMIMKTZETWDJV-PLBCQIPNSA-N 432.513 2.481 0 1 IEAF CNc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)c1=O 13516105 LIRGOEPJYUZGAZ-OAHLLOKOSA-N 428.386 2.363 0 1 IEAF COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(N(C)C(C)=O)cc2)CC3)cc1 14969518 FDHXDGIWUSXLEQ-UHFFFAOYSA-N 433.468 2.165 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2CCC(F)(F)F 95797371 JJJUWPARTOQMTL-YSHGAJCASA-N 439.478 2.420 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)C 95821324 DDPBTFKHGDBZAF-HOIFWPIMSA-N 440.544 2.045 0 1 IEAF Cn1cc(-c2cnc3oc4c(-c5cn(C)nn5)nc(=O)n(CC[C@@H]5CCCO5)c4c3c2)cn1 96907423 KJZCZYXXWWTKKP-HNNXBMFYSA-N 446.471 2.303 0 1 IEAF C/C1=C\C=C/C=C/[C@H](C)CNC(=O)CC(=O)C[C@@H]2O[C@H]3[C@@H](O)C[C@@H](O)[C@H]4C=C[C@@H]1[C@H]2[C@H]43 141879131 QPYKFWDFFXJDAQ-VSQWEOTMSA-N 427.541 2.088 0 1 IEAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@H]1C2 169348892 UNOQZKVEUMPMMM-XQAUZQBESA-N 440.529 2.012 0 1 IEAF CN1CCC(c2ccccc2OCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)CC1 218919135 RYGXXUVATQJVNW-HSZRJFAPSA-N 437.584 2.410 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)O2 587407464 AEOFTQIUWPNZLF-OAQYLSRUSA-N 429.542 2.439 0 1 IEAF Cc1cc2oc(=O)c(C(=O)C[C@@]3(C)NCCc4ccc(C(=O)N(C)C)cc43)cc2c(=O)o1 962921687 DBUPZPWTAYNBAN-XMMPIXPASA-N 436.464 2.390 0 1 IEAF CC(C)C[C@H]1C(=O)NCCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@H](C)C(=O)N1C 1911584257 ZAPAOYNOGTWFDN-HJNYFJLDSA-N 444.620 2.255 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1 2356298755 ZSTBMXUYQXDYKA-IHPCNDPISA-N 427.524 2.206 0 1 IEAF COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1 2356316911 BRWNLAZCMASSRZ-IHPCNDPISA-N 439.560 2.075 0 1 IEAF COc1ccccc1CNC(=O)[C@H]1CN2CC[C@H]1C[C@H]2Cn1cc(-c2ccccn2)nn1 2356318285 DCIGRLJGOXTKHV-IHPCNDPISA-N 432.528 2.376 0 1 IEAF O=C(N[C@H]1CN(Cc2ccccn2)CCC[C@@H]1O)c1ccc(OCCN2CCCC2)cc1 2356836817 LECMEVZVPGZITN-ZEQRLZLVSA-N 438.572 2.312 0 1 IEAF O=P(O)(O)C(O)(C[n+]1cccc(-c2cccc(-c3ccccc3)c2)c1)P(=O)(O)O 13643037 SFGYQDTXSJEVCC-UHFFFAOYSA-O 436.317 2.310 0 1 IEAF in-vitro O=C(CN1C(=O)c2ccccc2C1=O)NN1C(=O)CS[C@H]1c1c(F)cccc1Cl 73138439 FGBCDXBQGGAAES-IBGZPJMESA-N 433.848 2.381 0 1 IEAF CCOC(=O)N1CCN(C(=O)CSc2nc3c4ccccc4nc-3c(O)n2C)CC1 100705207 SZCVOKAGPFJEFP-UHFFFAOYSA-N 429.502 2.172 0 1 IEAF aggregator COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(C)(=O)=O 103264434 CVFBATDOQSKZOU-UHFFFAOYSA-N 437.481 2.410 0 1 IEAF COC(=O)/C=C(\C)C(=O)O[C@@H]1C(OC)=C[C@]23CCCN2CCc2cc4c(cc2[C@H]13)OCO4 169319064 QZYNTGZSDYJFBN-NSCQKNLNSA-N 441.480 2.465 0 1 IEAF CC[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 587185397 SRWXVWIUAIWLDA-CYBMUJFWSA-N 445.286 2.319 0 1 IEAF CNC(=O)[C@@H]1Cc2ccc(NS(=O)(=O)O)cc2CN1C(=O)CCCCc1ccccc1 14952649 BUGCOTXUDZQDNO-FQEVSTJZSA-N 445.541 2.314 0 1 IEAF COc1ccc(CN2CCN(c3nn4nnnc4c4ccccc34)CC2)c(OC)c1OC 20579887 VEDHMJALQOOZLL-UHFFFAOYSA-N 435.488 2.021 0 1 IEAF COc1ccccc1CNC(=N)c1ccc(C2=NO[C@H](CC(=O)NCCC(=O)O)C2)cc1 26290357 HTKQOPDYLSNJQL-SFHVURJKSA-N 438.484 2.284 0 1 IEAF CCOC(=O)Cc1nc2nc(N(C)CCc3ccc(OC)c(OC)c3)ccc2[nH]c1=O 82231674 AANFHGRPZGEAQA-UHFFFAOYSA-N 426.473 2.120 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@]2(C)CC1 85729728 YHVXQLPNJVSDTP-UJYQVDDQSA-N 430.541 2.263 0 1 IEAF in-man CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(C(C)C)cc(=O)[nH]1 95579356 INBXGOBYBGWYTQ-UHFFFAOYSA-N 434.562 2.285 0 1 IEAF O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@@H](CO)O1)NCc1ccccn1 95677165 UBYVOLAQIVZNTP-KVSKMBFKSA-N 434.443 2.096 0 1 IEAF CC(C)CCN(Cc1ncc(Cl)n1C)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N 207971901 KMYOCMNEWRYHOR-RTBURBONSA-N 432.956 2.327 0 1 IEAF C=Cn1cc([C@@H]2c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)c(C)n1 963666777 LJZXYWYDFIGANW-VABKMULXSA-N 446.507 2.495 0 1 IEAF CC(=O)O[C@]1(C)CCC[C@@H]2[C@@H]3CCC(=CC(=O)OCCN(C)C)[C@H](C)[C@@H]3C(=O)[C@H](O)[C@@H]21 2356431092 CGJJTGYWQKZZSF-PMTROTNTSA-N 435.561 2.362 0 1 IEAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 199233915 IDXFDSXHWNICQX-JOCHJYFZSA-N 447.532 2.444 0 3 IEAF CCOC(=O)CC[C@@]1(C(=O)OCC)C[C@@H](CC(=O)N2CCCC2)C(=O)N2CCCC=C21 203469179 UJHZXRVIUDQFQW-UZUQRXQVSA-N 434.533 2.418 0 3 IEAF CC(C)[C@H](NC(=O)[C@H](C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O 28458049 PPPSLCWYJCGPKR-YSHGAJCASA-N 435.565 2.136 0 1 IEAF CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C 82165824 XQENOKHKGMFWFY-NQIIRXRSSA-N 444.576 2.175 0 1 IEAF O=C(N[C@@H]1CC[C@H](CCn2cc(-c3cccnc3)nn2)O[C@H]1CO)c1ccccc1F 95676486 USSZBVMKFITLQI-BSIFCXSSSA-N 425.464 2.208 0 1 IEAF O=C(C1CCOCC1)N1CC(=O)N2[C@@H](CO)[C@@H](c3ccc(-c4ccccc4F)cc3)[C@@H]2C1 95795622 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CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)OC(CO)CO)O[C@H]2C[C@H]1O 2356340446 PAZIMHKUNWKSLH-CNFLGBHRSA-N 426.550 2.220 0 1 IEAF CO[C@@H]1C=C(COC(=O)c2ccccc2)[C@H](OC(C)=O)[C@H](OC(=O)c2ccccc2)[C@H]1O 2356396685 SOXXTQGQIQHKHY-CLAROIROSA-N 440.448 2.317 0 1 IEAF CN(C)c1ccc(NC2=N[C@@H]3[C@H](O)[C@H](O)C[C@H](C(=O)Nc4ccccc4)[C@H]3S2)cc1 2356872490 YZILCBSWMPPCSX-OMQSBVIBSA-N 426.542 2.385 0 1 IEAF Nc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cn1 13766344 OBSSMRFDAAAZQM-XUZZJYLKSA-N 443.551 2.430 0 1 IEAF COc1cc(-c2oc3cc(O)c(OC)c(O)c3c(=O)c2OC)ccc1OS(=O)(=O)O 14821333 YFEOXGUEAFLJJM-UHFFFAOYSA-N 440.382 2.079 0 1 IEAF biogenic C[C@@H]1C(=O)N(CC(F)(F)F)CCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 14958883 KFCSCQRZZXYLCW-ZYHUDNBSSA-N 425.373 2.376 0 1 IEAF O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1c1nn[nH]n1)c1ccccc1 26013037 XUVSXSUAQLBJIY-UXHICEINSA-N 446.511 2.254 0 1 IEAF O=C(O)C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)NCCc1ccc(F)cc1 29312311 IVQBFAJHKAZKGE-FQEVSTJZSA-N 444.484 2.459 0 1 IEAF CCCCNC(=S)NC[C@H]1CN(c2ccc(-c3nnc4ncccn34)cc2)C(=O)O1 71341034 WAJMPGXGDQLGFJ-INIZCTEOSA-N 425.518 2.381 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F 95560194 JGPVDMQJJVPTJR-DOXZYTNZSA-N 428.359 2.395 0 1 IEAF CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O 95794623 KIQIEUFWARLVGQ-TZIWHRDSSA-N 432.517 2.203 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CCCCC3)N(C(C)=O)[C@@H]21 95878957 BFHCAPOQYHBTLI-PVORMJKTSA-N 427.545 2.088 0 1 IEAF C=C(Cl)C(=O)N[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169366967 WCOOYUULXHMRKM-WNVASFOJSA-N 430.932 2.194 0 1 IEAF CN1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)CC1 212128665 NMRJITSYFSSBEJ-UHFFFAOYSA-N 427.505 2.468 0 1 IEAF Cc1nccc2[nH]c(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)nc12 586961739 SRRVDUDBCWNQFF-UHFFFAOYSA-N 425.470 2.208 0 1 IEAF O=C(O)Cn1cc(I)c(-c2nc3nccc(Br)c3[nH]2)n1 587184825 FYFVAYINFOQRCO-UHFFFAOYSA-N 448.018 2.273 0 1 IEAF 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NCc1cccc(NC(=O)CN2CCCC[C@H](NC(=O)c3cnc4ccccc4c3)C2=O)c1 13588688 YMGCWDKSDTVZTN-QFIPXVFZSA-N 445.523 2.443 0 1 IEAF CC(C)C[C@H](NC(=O)COc1ccc(Cl)c2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819153 QLHHECDAKBHQND-HOIFWPIMSA-N 448.903 2.153 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C 82236158 MUZQNBLYKZAGJY-CTNGQTDRSA-N 444.576 2.031 0 1 IEAF CCOC(=O)Cc1nnc(NC(=O)CSc2n[nH]c3c4ccccc4nc-3n2)s1 102664287 DTRIIOPPTBCASG-UHFFFAOYSA-N 429.487 2.146 0 1 IEAF NC1=N[C@@](c2cc(NC(=O)c3cnc(OCCF)cn3)ccc2F)(C(F)F)COC1 113656636 ZOPGZMQBNBVSOI-SFHVURJKSA-N 427.358 2.064 0 1 IEAF O=C1[C@@H]2[C@@H]3C=C[C@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 136392726 YGAKRXYRDKCSCD-TWFHAPMSSA-N 444.896 2.132 0 1 IEAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCC3)cc1 206115857 UQGGIKYILSHWGI-ZXGKGEBGSA-N 448.943 2.333 0 1 IEAF CCN(C(=O)c1nc(C)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cc2)n1 210434555 HNNSGEZQVPZHPI-HNNXBMFYSA-N 435.467 2.314 0 1 IEAF 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CN(C)C(=O)c1cccc(-c2ccc([C@H]3[C@H]4CN(C(=O)c5cnccn5)C[C@@H]3N4)cc2)c1 100109178 IETFXVATRVQQOP-JKHIJQBDSA-N 427.508 2.425 0 1 IEAF CC(C)(O)CNC(=O)c1cnn2ccc(N3CCC[C@H]3c3cc(F)ccc3CO)nc12 169704155 CCPZQDBNLBNUMF-SFHVURJKSA-N 427.480 2.203 0 1 IEAF CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F 210001978 RORNAFSJAHYYEW-HOCLYGCPSA-N 431.436 2.164 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1ccccc1C(=O)[C@H]2C(=O)c1ccco1 587614104 QTZAPEQOEMSYHR-LFRPXUGBSA-N 432.450 2.090 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4OC[C@H]3[C@@H]4F)nc(N3CC4CC3C4)n2)cc1OC(F)F 653678243 CGJLGCJLWGJKLI-CZSXYWGDSA-N 434.422 2.246 0 1 IEAF Cc1c(C(=O)N2[C@H]3CC[C@H]2CC(O)(c2ccccc2)C3)cnn1-c1nc(=O)c2cccn2[nH]1 1857584203 BTFXQDBAIJQECF-ROUUACIJSA-N 444.495 2.172 0 1 IEAF CCNC[C@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@@H](O)[C@H](C)N1)CNC)CC(=O)O 2356291800 AQOOPQXHROGANV-IIDPUWFRSA-N 429.646 2.260 0 1 IEAF CC(=O)N[C@@H]1[C@H](O[C@]2(C)C=C[C@H]([C@H](C)CCC=C(C)C)CC2)O[C@H](CO)[C@@H](O)[C@H]1O 2356326025 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LMJHTBIYAYWJKI-LPHOPBHVSA-N 431.993 2.274 0 1 IEAF O=C(C[C@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F 95900490 PIWWRJKYNWMMLJ-HMPASCQOSA-N 442.434 2.488 0 1 IEAF C[C@@H]1C[C@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 101177860 JXBYZKQDZBIQDJ-MBICXCLHSA-N 439.556 2.367 0 1 IEAF CC(C)S(=O)(=O)N1CCC2(CCN(C(=O)N3CCCN(C4CCC4)CC3)C2)CC1 103243097 BNEMFTSNVXZPSV-UHFFFAOYSA-N 426.627 2.193 0 1 IEAF O=C1NCC2(CCCCC2)n2c1cc1cnc(Nc3ccc(N4CCNCC4)cn3)nc12 223843156 TWTKMJWAXOPXSX-UHFFFAOYSA-N 432.532 2.382 0 1 IEAF CC(C)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16042106 YGNLDEWVSYNWNH-QHAWAJNXSA-N 436.556 2.361 0 1 IEAF biogenic Cn1cc(C(=O)O)c(=O)c2cc(N)c(N3CCN(c4cnc5ccccc5n4)CC3)cc21 49576919 UVWHZQJYSHVHJG-UHFFFAOYSA-N 430.468 2.089 0 1 IEAF OC[C@H]1O[C@@H](c2ccc3c(c2)Cc2ccc(cc2)OC/C=C/CCC3)[C@H](O)[C@@H](O)[C@@H]1O 71340686 WJSQWIJDSWCUKE-NAEZJVSPSA-N 426.509 2.064 0 1 IEAF CCCSc1nc(N2CCOCC2)ncc1C(=O)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 101550272 ALDSAFDPVLSGCJ-FZIDKHFRSA-N 432.590 2.485 0 1 IEAF C[C@H]1C(N)=N[C@](C)(c2cc(NC(=O)c3[nH]ncc3Cl)ccc2F)CCS1(=O)=O 201832125 RUSLANSLCKIVII-XYZCENFISA-N 427.889 2.234 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@H]1CC=CCCCC(=O)OC(CO)CO 2356343425 OCYWGBZEVKVWBQ-ZIBCJSCZSA-N 426.550 2.063 0 1 IEAF CC(=O)O[C@@H]1C[C@H](C)[C@@]23CC(=O)O[C@@H](C2)[C@](C)(O)[C@](C)(COC(=O)c2ccccc2)[C@]13O 2356612194 WVABBPGSYIRNDV-XMWKKNHYSA-N 446.496 2.009 0 1 IEAF CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C 95680083 IKGWMINUNCFFKT-QINHECLXSA-N 449.548 2.014 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@H](C)N(C(C)=O)C[C@@H]1C 95794180 NHANBWHFHPMELO-GXZWQRSESA-N 431.533 2.388 0 1 IEAF CCNC(=O)N1CCN(C(=S)SCc2cn(Cc3ccc(OC)cc3)nn2)CC1 96927384 AWJABAZSITVSFK-UHFFFAOYSA-N 434.591 2.200 0 1 IEAF O=C(N[C@@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@@H]4CCOC4)nc23)c1 148268948 GDAJGNABZPYVMZ-ZIAGYGMSSA-N 439.451 2.022 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)[C@H]1C=C[C@H]2[C@H]2C[C@H]21 194944560 UYKWDOHZJVLLMU-GQDVPIKJSA-N 441.963 2.085 0 1 IEAF CC(C)[C@H](CO)NCc1nc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)ccc1F 204413118 GRSBBPJQUNYAER-NRFANRHFSA-N 437.537 2.015 0 1 IEAF CS(=O)(=O)CCCOc1cccc2c1cnn2-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 253647195 QTUUSRHXDAHSAU-WKILWMFISA-N 445.545 2.344 0 1 IEAF CCN(CC)C(=O)Cn1c(=O)c(C(=O)NC)c(O)c2ncc(Cc3ccc(F)cc3)cc21 299836590 HHTJOARSCIPIIU-UHFFFAOYSA-N 440.475 2.060 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)[nH]c2c1 586928734 IZFLRYKEFJJJMH-UHFFFAOYSA-N 442.950 2.287 0 1 IEAF CNC(=O)[C@@H]1C[C@@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587234907 JVJSZKWQRIBEIK-VQTJNVASSA-N 446.555 2.412 0 1 IEAF O=C(NC1CCN(S(=O)(=O)c2ccc(CN3CCC3)cc2)CC1)c1cc(C2CC2)on1 1857574508 RIGDNKZOWGMEFG-UHFFFAOYSA-N 444.557 2.341 0 1 IEAF CNC(=O)c1cc(C(=O)NCC[C@@H]2CNCCO2)cc2c1O[C@H](CF)[C@H]2c1ccccc1 1911576982 NIHVOLYGMZNETN-UIFIKXQLSA-N 441.503 2.017 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccccc4N(C(C)=O)[C@@H]32)[C@H]1OC(C)=O 2356423543 DCBUJUCXJASOBN-VJKGJQNUSA-N 436.508 2.187 0 1 IEAF CC[C@H]1[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]45O[C@]4([C@@H](O)[C@]1(C)C[C@@]24O)[C@@]35O 2356578571 WRNDEBIWESHAGQ-XCTXZRPQSA-N 444.524 2.485 0 1 IEAF CCOC(=O)CNC(=O)N(C)[C@H]1C[C@H]2c3[nH]c4ccccc4c3CCN2C[C@H]1[C@H](C)O 72121968 HLHNEYDOOHCBAD-HSCHXYMDSA-N 428.533 2.041 0 3 IEAF O=C(Cn1c(=O)ncc2ccccc21)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 49089699 QAWPVELWSOHFHL-QHCPKHFHSA-N 443.507 2.296 0 1 IEAF COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@H](C(C)C)N3)cc1 82206500 QFLWCYOMBPXHPV-LJQANCHMSA-N 449.511 2.302 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(C(=O)COC)[C@@H](C)CO2 95680071 PYQSBCBLWVDVHP-GQIGUUNPSA-N 449.548 2.014 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@H](C)CN(C(=O)COC)[C@H](C)CO2 95680076 PYQSBCBLWVDVHP-QINHECLXSA-N 449.548 2.014 0 1 IEAF C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(=N)N)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 115172542 NCWVFOCCZZEGGO-LLVKDONJSA-N 433.442 2.208 0 1 IEAF Cc1noc(C)c1Cn1cc(N2C(=O)CN(Cc3ccccc3[S@](C)=O)C2=O)cn1 115733959 WSPSOBHIVQPZEF-SSEXGKCCSA-N 427.486 2.242 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC[C@H]3CC[C@H](O)C3)c2c1=O 143492526 ZQGPAQWSJLVSGW-LPHOPBHVSA-N 435.528 2.405 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4ccc(Cl)cc4F)nc23)N1 205026859 BRPDSRPUCNKHFR-RZNTYIFUSA-N 442.842 2.284 0 1 IEAF COC(=O)C1=Cc2cc(OC)c(O)c(OC)c2[C@H](c2cc(OC)c(O)c(OC)c2)[C@H]1CO 238739161 FEBCHZLGVMTRAM-KBXCAEBGSA-N 446.452 2.443 0 1 IEAF Cc1cccc([C@]2(c3ccc(F)cc3)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)n1 963208923 UUDAFJRVSOIHMF-AXHZCLLHSA-N 431.471 2.302 0 1 IEAF O=S(=O)(Nc1cccc(-c2cn(-c3ccc(F)cc3)nn2)c1)c1cnc(O)nc1O 1857592760 HUBMYYYIOOGBIG-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF COc1cc2ncn([C@@H]3[C@H]4OC[C@@H](O4)[C@H](NC4CCC(F)(F)CC4)[C@H]3O)c2cc1OC 2356573118 AJHCHJMCLOMGGW-CXQPBAHBSA-N 439.459 2.247 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)N(C)Cc1ccccc1)C(=O)CO2 8597956 VKDZTYPQLHGOSR-UHFFFAOYSA-N 445.541 2.101 0 1 IEAF CC(=O)NCSCC(=O)NC[C@H]1CN=C(c2ccccc2F)c2ccccc2N1C 27521052 LISBMPUWLYCAPY-INIZCTEOSA-N 428.533 2.425 0 1 IEAF COc1cccc(N2C(=O)N[C@@H]3CCN(S(=O)(=O)c4ccc(Cl)cc4)[C@H]3C2=O)c1 36364007 FJEFPVWRMOTGGY-IAGOWNOFSA-N 435.889 2.237 0 1 IEAF biogenic COc1ccc(-c2cc(C(=O)N3CCCCCC3)no2)cc1S(=O)(=O)N1CCOCC1 71928035 ISAZGPCLGMIMJT-UHFFFAOYSA-N 449.529 2.387 0 1 IEAF Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 95810223 WGPDLCVCGOLGPE-ZRCGQRJVSA-N 443.592 2.243 0 1 IEAF C[C@@H]1CN(Cc2c[nH]nc2-c2nc(C(N)=O)c[nH]2)CCN1c1ccc(C(F)(F)F)cn1 115170141 PWJODWZOFNAWSU-LLVKDONJSA-N 434.426 2.023 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3cncc(Cl)n3)CC1)[C@H]1CC[C@H]2[C@@H]2C[C@@H]12 195180611 OLRJWQJNJDEKHM-KZVLABISSA-N 443.979 2.309 0 1 IEAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 299880461 MHSGLBLFZKLMJH-CPUCHLNUSA-N 442.940 2.254 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@@H]2[C@H]1C 2356874580 YXDGJKNDMTVMPB-OTAJUPSQSA-N 431.577 2.288 0 1 IEAF O=C(NCc1ccccc1)c1cc([C@H]2COCCN2S(=O)(=O)c2cccs2)on1 61904943 LSMLJPQFUAYSMO-MRXNPFEDSA-N 433.511 2.428 0 3 IEAF COCCNC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O 2129250 GSETZVKGSMDGJJ-FDDCHVKYSA-N 426.517 2.381 0 1 IEAF biogenic CCn1c(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2ccccc21 2923212 PHNGQLGQCWHLHD-UHFFFAOYSA-N 426.904 2.185 0 1 IEAF COc1cc2nc(N3CCN(c4ccc(OC(C)C)nn4)CC3)nc(N)c2cc1OC 29474970 YSQYNSXHVGIPAJ-UHFFFAOYSA-N 425.493 2.133 0 1 IEAF CCc1cc(N2CCC[C@@H]2C(=O)NCCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1 35273349 BXVNHBCLUUHXBC-GOSISDBHSA-N 434.500 2.281 0 1 IEAF CCNCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1 72319406 LGRLXBVOUKAFGC-DEOSSOPVSA-N 433.464 2.240 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@@H]2CCCCN2)sc1CCO 84758278 JGZOKWRUKQVHKG-RDJZCZTQSA-N 438.500 2.203 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 100772068 YUCYEVHMFBEBSC-FBHFLCCGSA-N 432.557 2.054 0 1 IEAF endogenous,in-man O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccon3)s2)CCN1Cc1cc2c[nH]ccc-2n1 101154960 NWWXBVUUMBCVOB-INIZCTEOSA-N 443.510 2.310 0 1 IEAF CC(C)Nc1nc(-c2ccc(N[C@@H](C)CO)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 115622910 KGYDCQNEMLHBJJ-ZDUSSCGKSA-N 445.545 2.012 0 1 IEAF CC(C)C(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1 148069930 DOTZHLZJJOAQBC-UHFFFAOYSA-N 440.519 2.319 0 1 IEAF NC(=O)C1(c2ccccc2CCc2nc(Nc3cnn(CCO)c3)ncc2Cl)CC1 211057123 IHZXMSITVWOAII-UHFFFAOYSA-N 426.908 2.365 0 1 IEAF COc1cc(O)c2c(O)c3c(cc2c1)C[C@H](C[C@H](O)C[C@@H](O)CCCCCO)OC3=O 2356416562 YHQGYEAIRQPZFF-LZLYRXPVSA-N 434.485 2.396 0 1 IEAF COc1cc([C@@H]2c3cc4c(c(OC)c3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O 2356465792 HCKCVXCPSCVJQG-TWIYPKMFSA-N 430.409 2.115 0 1 IEAF O=C1C=C2[C@@H]3[C@@H]4C5=CC(=O)O[C@@]56C[C@@H]([C@@H]4[C@@H]3[C@H]3C[C@@]2(O1)[C@@H]1CCCCN13)N1CCCC[C@@H]16 2356550363 DVUJULGIOINVNJ-LXXWHTEUSA-N 434.536 2.190 0 1 IEAF CC1=C[C@H](CNS(C)(=O)=O)[C@H](C(C)C)C[C@H]1CC(=O)N1CCN(C2=CC=C[CH]N2)CC1 2356848259 MEAXSPATZUXIEJ-HBMCJLEFSA-N 449.641 2.087 0 1 IEAF CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@@H]1C(=O)OCc1ccccc1 12478500 ZEIZHTBOTDUSJX-SFHLNBCPSA-N 440.521 2.356 0 3 IEAF Cc1cc(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c(=O)[nH]1 13490000 QPOJVLKZPPBFKN-UHFFFAOYSA-N 444.429 2.138 0 1 IEAF Cc1cccc(C(=O)N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)c1 40556610 FSMXSXUMVRVOCD-QHCPKHFHSA-N 441.482 2.211 0 1 IEAF NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@H](c1ccccc1)CN2 82210291 RWOQJRBCIDDMKB-FQEVSTJZSA-N 441.491 2.124 0 1 IEAF Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 95662063 FAEZEZMAIFLOTA-ZDXQCDESSA-N 428.492 2.263 0 1 IEAF CCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO 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O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(COCC3CCOCC3)ccc1-2 142916872 FDBUJVHYUALRBC-FQEVSTJZSA-N 442.512 2.204 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4nccc(C5CC5)n4)nc3n2)C1)N1CCOCC1 221405395 HWMAOBGKGCWTFU-MRXNPFEDSA-N 433.516 2.368 0 1 IEAF CS(=O)(=O)NC(=O)c1ccc(NC(=O)Cn2c(=O)sc3ccc(Cl)cc32)cc1 473109868 UBSSUXIQWAFWFZ-UHFFFAOYSA-N 439.902 2.045 0 1 IEAF COC(=O)c1cc(Br)c2[nH]c([C@@H](CC(N)=O)NC(=O)CC(C)C)nc2c1 587202689 FZDNOOPDLUOUQC-GFCCVEGCSA-N 425.283 2.191 0 1 IEAF Cn1nc(C2=C(c3cn(CCn4ccnc4)c4ccccc34)C(=O)NC2=O)c2cccnc21 1857548064 PXSMDYSKFFEFSC-UHFFFAOYSA-N 437.463 2.387 0 1 IEAF CNC(=O)c1ccc(O[C@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)cc1OC 45286590 ZBKQANPUWYCEKU-IAGOWNOFSA-N 439.512 2.195 0 1 IEAF CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)CCN2 82224118 XHRBNSPFYPBXOL-UHFFFAOYSA-N 427.288 2.156 0 1 IEAF CCNC(=O)[C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccccc1 95880155 WWCCFIUVHZLVCP-IQFVJIFQSA-N 444.535 2.210 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 95908239 DVSDZAFRLPIFCS-TYPHKJRUSA-N 438.590 2.268 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2I)C[C@H]2CC[C@H]1N2C 100647374 AWVUKTXSKOZAJP-RABLLNBGSA-N 429.254 2.472 0 1 IEAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1 114055692 ZCXMPEGOPQBOHU-OAQYLSRUSA-N 439.475 2.330 0 1 IEAF C=C(Cl)C(=O)N[C@@H]1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169366969 WCOOYUULXHMRKM-WIIRWKGXSA-N 430.932 2.194 0 1 IEAF Cc1cn(-c2cc(-c3cc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)ccn2)cn1 219608096 YTWXRLUXLLYCFX-SFHVURJKSA-N 434.522 2.248 0 1 IEAF CC(=O)Cc1cc(O)cc(O)c1[C@@H]1[CH][C@@H](C)[CH][C@@H]2O[C@@H]3[CH][C@H](O)[CH][C@@H]4[CH][C@H](C)N[C@@H]([C@H]43)[C@H]21 238751080 JEXILOXENGKHAO-WRCFWZPTSA-N 438.544 2.335 0 1 IEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 587838686 DNXLOBQXUOLMBR-BTDLBPIBSA-N 428.327 2.237 0 1 IEAF COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637100 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CC(=O)O[C@@H]1[C@@H](O[C@]2(C)C=C[C@@H](C(C)C)CCC(C)=CCC2)O[C@H](CO)[C@H](O)[C@H]1O 2356439110 FEPMKPCIGUXEGE-BPYYJIIVSA-N 426.550 2.481 0 1 IEAF COC(=O)[C@@H]1N2C(=O)N(Cc3nc4ccccc4s3)[C@H](C(=O)OC)[C@H]2SC1(C)C 15937356 UPDHXCLTAKSNMK-SOUVJXGZSA-N 435.527 2.469 0 3 IEAF CCCSc1ccc([C@@H]2[C@H]3C(=O)N(C)C(=O)[C@H]3[C@]3(C(=O)OC)CCCN23)cc1OC 36386463 JMWPKHMIQBOCMZ-AYMMHLMVSA-N 432.542 2.491 0 3 IEAF CCCS(=O)(=O)NC(=O)[C@]1(C)CCN(C(=O)COc2ccc(Cl)cc2Cl)C1 61929110 NPVRQAJKVQBPLQ-QGZVFWFLSA-N 437.345 2.467 0 3 IEAF Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(Cl)cc2)C2CCNCC2)sc1CCO 84757178 FQROWOSNUNJCFW-QGZVFWFLSA-N 436.965 2.435 0 1 IEAF CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)ccn1 103244033 GXTJJKTVNPGWLJ-IBGZPJMESA-N 440.500 2.080 0 1 IEAF NCCOCCOCCOc1ccc(-c2nc(N=C(N)N)nc3ccc(Cl)cc23)cc1 218757508 XKMLJRVPPIXBMP-UHFFFAOYSA-N 444.923 2.226 0 1 IEAF O=C(NC[C@H](c1ccc(C(F)(F)F)nc1)N1CCOCC1)[C@H]1COc2ncsc21 223961347 FBNQMSCEOQSEST-QWHCGFSZSA-N 428.436 2.223 0 1 IEAF COc1n[nH]c2cc(NC(=O)N[C@@H](c3ccccc3)C(C)(C)O)nc(-c3nnc(O)o3)c12 1772635393 OGXMEUFFWCXOGV-HNNXBMFYSA-N 439.432 2.356 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 2356367158 XDYXBHOWEUHZGF-ZXGKGEBGSA-N 446.595 2.408 0 1 IEAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@H]2CNS(=O)(=O)c1cccs1 2356593512 MOPCRIUPXFIAMN-NSHGMRRFSA-N 434.631 2.306 0 1 IEAF Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12 12355237 ZBVOLZZIEIPJDF-UHFFFAOYSA-N 436.407 2.013 0 1 IEAF Cc1ccc(S(=O)(=O)N2CCN(C(=O)C3CCN(c4ccncc4)CC3)CC2)cc1 27555485 XJYHDRMUYCNYMF-UHFFFAOYSA-N 428.558 2.140 0 1 IEAF CC(C)N1CCCN(C(=O)C2CCN(c3ccc(C(=O)N4CCCC4)cn3)CC2)CC1 45201246 ALEIBKZXTZXVPL-UHFFFAOYSA-N 427.593 2.477 0 1 IEAF COc1ccc(-c2cc(=O)c3c(O)c([C@H]4C[C@@H](O)[C@@H](O)[C@H](C)O4)c(O)cc3o2)cc1O 59734922 VOXHZFGNVVKUEG-DYJPNZKISA-N 430.409 2.157 0 1 IEAF Cc1cnc(NC(=O)c2cc(Oc3cnc(C(=O)N(C)C)nc3)c3cn(C)nc3c2)cn1 95561512 WSAQOXUHJXNXTA-UHFFFAOYSA-N 432.444 2.208 0 1 IEAF CC(C)(C)OC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc(C(=N)N)cc2)c1 95566055 SRKFAYPWXDKHMB-UHFFFAOYSA-N 446.529 2.233 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1Cc1ccccn1 95881515 QLERNNCBDUJEFV-CJTFWIGWSA-N 448.567 2.453 0 1 IEAF Nc1nc(O)c2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2n1 587108737 QKPNGUDHDPGROR-VIFPVBQESA-N 428.396 2.185 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C[C@@H](C)[C@H]2C 961789727 VECUGHHWPMAJAH-HBNIUJAHSA-N 449.551 2.249 0 1 IEAF C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OC(=O)C1c2ccccc2-c2ccccc21 1857769681 DRMUQXRTPKNLIC-CQSZACIVSA-N 430.464 2.178 0 1 IEAF CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@H]2N=C(Nc3ccc(F)cc3)S[C@@H]12 2356854330 RNRHMSZTNHKFGX-RMMWZPCPSA-N 429.517 2.478 0 1 IEAF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 8035281 AKUJBENLRBOFTD-HWPUDESJSA-N 434.504 2.467 0 1 IEAF COc1cc(F)c(F)cc1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21 84603378 RWYGLZYBRQKSMG-HDUOCVEJSA-N 437.834 2.291 0 1 IEAF O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3cccc(Br)c3)[C@H]12 95583797 QDFXCTMNYXBADZ-VHSXEESVSA-N 438.288 2.414 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cccc(N(C)C)c2O[C@H]1CN(C)Cc1ccncc1 95847200 OVBQAIOLOOTXQW-HMFYCAOWSA-N 426.561 2.500 0 1 IEAF O=C(Cc1ccccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866408 MSSUKJNHUJFMOW-PPJWLVRDSA-N 427.504 2.489 0 1 IEAF CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)N1CCCCC1 95879960 MGJYGUOUTHPATI-VXSCBNMQSA-N 425.504 2.260 0 1 IEAF C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205436452 OMZYWFZESJTRNA-QAPCUYQASA-N 445.527 2.490 0 1 IEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2nc(Br)c[nH]c-2n1 587120788 GHCKMMUDHNFKOE-UHFFFAOYSA-N 442.199 2.491 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@@H]2C[C@H](C(=O)O)N(CCc3ccccc3)C2)nn1 1772631886 HIULRIYRAKJRNA-VTXMGJMISA-N 446.511 2.455 0 1 IEAF COc1cc2c(cc1OC[C@@H](O)CN1CCN(c3ccccc3)CC1)C(=O)[C@@H](C)OC2 1857535814 XASXLXISYBWMCD-XLIONFOSSA-N 426.513 2.359 0 1 IEAF Nc1cc(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CC(N)C4)c(Cl)c32)c(F)cc1F 3825365 ATHBCDQPZRXUNJ-UHFFFAOYSA-N 438.793 2.489 0 1 IEAF CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C 8756010 HOMOELKBCAUBPK-ILXRZTDVSA-N 432.473 2.098 0 1 IEAF CCOC(=O)N1CCC(N2C[C@]34C=C[C@H](O3)[C@@H](C(=O)Nc3ccc(F)cc3)[C@@H]4C2=O)CC1 12469487 IGXFJCQPBHLTNL-LVBDUCALSA-N 443.475 2.167 0 1 IEAF O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1cccc(Cl)c1 13673237 AHUTXLKOPODYFZ-SFHVURJKSA-N 429.860 2.458 0 1 IEAF COc1cccc(N2C(=O)N[C@@H]3CCN(C(=O)CC4(CC(=O)O)CCCC4)[C@H]3C2=O)c1 25412404 JJVJTEYHSOIKIU-VQIMIIECSA-N 429.473 2.146 0 1 IEAF biogenic COc1ccccc1N1CCN(C[C@@H](O)COc2ccc3c(c2)SCC(=O)N3)CC1 27524985 GNBNOEIICSAQHH-MRXNPFEDSA-N 429.542 2.301 0 1 IEAF NCC(=O)Nc1c2n(c(=O)n(Cc3cccc4ccccc34)c1=O)[C@@H](c1ccccc1)CN2 82210293 RWOQJRBCIDDMKB-HXUWFJFHSA-N 441.491 2.124 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 95904230 FSCPNKZYECBZAT-HOJAQTOUSA-N 442.553 2.099 0 1 IEAF Cn1c(N2CCO[C@@H](c3ccccc3OCCCN)C2)nc(-c2ccncc2F)cc1=O 113091825 AHHQKPHPPVLNOZ-OAQYLSRUSA-N 439.491 2.287 0 1 IEAF CC(C)NC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)cc1 138983861 AZQHFDKNKSLZSM-HNNXBMFYSA-N 447.561 2.443 0 1 IEAF CC[C@H](NC(=O)CCc1ccc(-c2ccccc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O 169701564 YWXFICBFTYVHJU-PMACEKPBSA-N 439.512 2.016 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)CC1 195125270 VMZGYYIBHIORNR-XUCMERPOSA-N 447.535 2.240 0 1 IEAF Cc1nc(C)n(-c2cc([C@@H]3C[C@H]3c3nc4ccccc4n3C)nc(N3CC(C)(O)C3)n2)n1 223514988 HSRDXVVTSIFFTR-HZPDHXFCSA-N 430.516 2.403 0 1 IEAF CC1(C)O[C@@H]2[C@@H](O)[C@@H](COC(=O)c3ccccc3)O[C@]2(COC(=O)c2ccccc2)O1 238764322 IMNKXAYTGBFQER-ISJRUSPKSA-N 428.437 2.308 0 1 IEAF COc1ccc(OC)c(-c2nc3ccc(C(=O)N4CCN(CCO)CC4)cc3[nH]2)c1OC 587925588 DEWGETFSWXUVMQ-UHFFFAOYSA-N 440.500 2.006 0 1 IEAF Cn1nnc(Br)c1[C@H]1c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963131651 AOEVSJUOHVWERW-IUCAKERBSA-N 444.311 2.370 0 1 IEAF COc1cc2[nH]c(=O)n(CCCC(=O)NCc3ccc(Cl)cc3)c(=O)c2cc1OC 4792536 HKNRRLBBDIXURZ-UHFFFAOYSA-N 431.876 2.457 0 1 IEAF COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(Cc2ccco2)C3=N1 36381561 XMYAELSMEBBILJ-RDPSFJRHSA-N 449.463 2.171 0 1 IEAF NC(=O)c1nc(N2CCN(C(=O)COc3ccc(Cl)cc3)CC2)c2cc(F)sc2n1 45367645 FCICGCXHRKRKRI-UHFFFAOYSA-N 449.895 2.310 0 1 IEAF Cc1ccc(SCCNCC(=O)COC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 45385308 QAHNFMCIPSLRRF-UHFFFAOYSA-N 425.510 2.268 0 1 IEAF Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCS(=O)(=O)CC3)nc21 71329462 GJXDFKISKKIETP-UHFFFAOYSA-N 436.440 2.388 0 1 IEAF CCN1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@@H](C)C2=O)[C@@H]2C[C@@H]1[C@@H]1OC(C)(C)O[C@@H]21 195435741 KIWMQFVGCTUQCE-WOISFRKTSA-N 442.512 2.356 0 1 IEAF COC(=O)c1ccnc2[nH]c(CNS(=O)(=O)c3ccc(Br)s3)nc12 586943261 XTGPBNYUDOEAJO-UHFFFAOYSA-N 431.293 2.047 0 1 IEAF CCOC(=O)c1cc([C@@]2(C)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)nn1C 962641982 YZWSNQQLFUJUCD-ACJLOTCBSA-N 427.379 2.358 0 1 IEAF CC1=CC=CC=C[C@H](C)CNC(=O)CC(=O)C[C@@H]2O[C@H]3[C@@H]4[C@@H]2[C@H]1C=C[C@H]4[C@@H](O)C[C@H]3O 2356409734 QPYKFWDFFXJDAQ-JJPMVYSWSA-N 427.541 2.088 0 1 IEAF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 14681120 GGQLLLSSCCXUBL-UIXLLTLXSA-N 432.513 2.333 0 1 IEAF endogenous,in-man O=C(N[C@@H](C(=O)O)c1ccccc1)[C@H](Cc1ccccc1)n1c(=O)[nH]c2ccccc2c1=O 16025647 ARZXOGOUZVJXHQ-LEWJYISDSA-N 443.459 2.416 0 1 IEAF biogenic Nc1c(Cl)cc([C@@H](O)CN2CCN(CCn3nc(Cl)ccc3=O)CC2)cc1Cl 26637069 NLRDCWLJWHMEJE-HNNXBMFYSA-N 446.766 2.137 0 1 IEAF O=C(N[C@H]1CC[C@H](CCn2cc(-c3cccnc3)nn2)O[C@@H]1CO)c1ccccc1F 95676484 USSZBVMKFITLQI-LKUPVBHCSA-N 425.464 2.208 0 1 IEAF CS(=O)(=O)CCCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1 96900818 QTUUSRHXDAHSAU-UHFFFAOYSA-N 445.545 2.344 0 1 IEAF in-vitro CC[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1CCCCNC(=O)CC1c2ccccc2-c2ccccc21 96921584 HZNBKTRHJINUQX-OQUNMALSSA-N 438.568 2.262 0 1 IEAF N[C@H](COc1cccc2c1NC(=O)CO2)CN1CCC2(CC1)Cc1cc(F)ccc1O2 103235634 DUIPHYMVNRMZCO-KRWDZBQOSA-N 427.476 2.332 0 1 IEAF Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(S(C)(=O)=O)cc3)c2)c2cncnc21 169707724 RUKKYYURRKDCIV-UHFFFAOYSA-N 449.492 2.179 0 1 IEAF COC(=O)[C@H](O)[C@@]12C(=O)[C@@H](C3=C4CC(=O)O[C@H](c5ccoc5)[C@]4(C)CC[C@@H]31)[C@H](O)C2(C)C 2356604308 XOHRSMKBHRXRSQ-FJPYTYQOSA-N 444.480 2.100 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4cc(C[n+]5ccccc5N)ccc4c3)C[C@H]12 3981628 VGOUGHSGVITRIH-JEWAVWJGSA-O 430.484 2.165 0 1 IEAF Nc1nc(N2CCN(Cc3ccc4ccccc4n3)CC2)nc2nc(-c3ccco3)nn12 13581818 DSJHPDUHMXXJBZ-UHFFFAOYSA-N 427.472 2.232 0 1 IEAF COc1ccccc1OCCNCCCC(=O)N1CCCSc2c1cnn(C)c2=O 26728335 YSBJWKAANNLRCP-UHFFFAOYSA-N 432.546 2.067 0 1 IEAF CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cc(OC)cc(OC)c3)n2)CC1 82204405 FKVQDPSVRSGRDR-UHFFFAOYSA-N 429.521 2.099 0 1 IEAF 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2.389 0 1 IEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(S(=O)(=O)C5CC5)CC4)ncn3)c2c1 221209782 HRIWUXBAKYHOKR-UHFFFAOYSA-N 442.545 2.421 0 1 IEAF CN(C)[C@@H](Cn1c(O)ccc1OCC[C@H](N)C(=O)O)c1cccc(Br)c1 587941736 VJNYSVSDYKVECP-GJZGRUSLSA-N 426.311 2.440 0 1 IEAF COC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc2ccccc2)s1 1857578540 AGAQGMOFPNDWEP-IRXDYDNUSA-N 432.542 2.399 0 1 IEAF CC[C@@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC)ccc43)nc2N1c1ccn(C)n1 1857749464 IHGSFRGRMMGZRN-MRXNPFEDSA-N 444.499 2.407 0 1 IEAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@H](CNC(=O)Cn4cnnn4)C=C3C)[nH]c2n1 2356344958 GTVHKQLHKYKINE-YESZJQIVSA-N 438.536 2.167 0 1 IEAF CC(=C[C@H](C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@](O)(C(=O)O)[C@H](C(=O)O)O2 2356543501 OGZGHCQBWIVONK-CAYGFMCYSA-N 448.468 2.221 0 1 IEAF CC(=O)O[C@@H]1[C@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H]2[C@](C)(O)[C@H](O)C=C[C@@]12C 2356637637 YWDXFKMLCKVVHC-VWLOVXLYSA-N 448.512 2.136 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 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Cc1cc(F)cnc1-c1cc(N2CCN(C(=O)CCS(C)(=O)=O)CC2)ncc1Cl 146835140 GIXOJLMTQABZDC-UHFFFAOYSA-N 440.928 2.328 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587450786 UUMDCPNRPPLFCD-SBUREZEXSA-N 442.537 2.339 0 1 IEAF Cc1ccc2ccc(=O)n3c2c1[C@H](CN1CCC(NCc2cc4c(nn2)OCCO4)CC1)C3 653708499 RELGPBSDPJBPPK-GOSISDBHSA-N 447.539 2.223 0 1 IEAF C=CC(=O)Nc1cccc(Cn2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)c1 1857555523 MTQJTEQPZUVHRE-UHFFFAOYSA-N 432.488 2.209 0 1 IEAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cc(OC)ccn2)o1 1857591828 SRAFAWRKGMDOBG-OAHLLOKOSA-N 432.477 2.198 0 1 IEAF CCNC[C@](O)(CCCCC[C@@H]1CC[C@H]([C@@H]2CC[C@H](O)[C@@H](C)N2)C[C@H]1O)CC(=O)O 2356291459 VEGIAGTUUGVGIJ-RLYPEXGDSA-N 428.614 2.031 0 1 IEAF COc1cccc(OC)c1CN1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1 11979796 DGKMRFBAFILIPQ-KRWDZBQOSA-N 428.533 2.381 0 1 IEAF COc1cc2nc(N3CCC(O)CC3)nc(NCCCN3CCCC3=O)c2cc1OC 82131368 HMTQTPQQFDPUCA-UHFFFAOYSA-N 429.521 2.033 0 1 IEAF CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C 95680081 IKGWMINUNCFFKT-RZQQEMMASA-N 449.548 2.014 0 1 IEAF CCCC(=O)N1CC2(CN(C(=O)C3CC3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO 95867520 UPZBRRHRCMATBT-LJQANCHMSA-N 425.529 2.353 0 1 IEAF COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@H](OCO)CC3)c2=O)cc1F 101675279 SAQMYGKYGQDHJG-OKILXGFUSA-N 429.452 2.342 0 1 IEAF O=CN1CC[C@]23C[C@@H](O)CC[C@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 102982217 FTZMSPHFNOLQKD-CDSYHYPYSA-N 447.495 2.346 0 1 IEAF Cc1nc([C@@](C)(NC(=O)c2cc(OCC(F)(F)F)c(C3CC3)cn2)C(=O)N(C)C)no1 146366483 PRGRKYDWXVMRQI-GOSISDBHSA-N 441.410 2.325 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O 299882291 PLBSIJJCQFWNPD-SUMDDJOVSA-N 429.542 2.100 0 1 IEAF O=C1c2ccc(O)cc2O[C@@]2(C=C(CN3CCOCC3)OCC2=O)[C@H]1c1ccc(F)cc1 587337043 BAMXWCCWLTZNQQ-LADGPHEKSA-N 439.439 2.444 0 1 IEAF COc1ccc(OC)c2c1C[C@@H](C)N[C@H]2c1c(N2CCOCC2)nc2ccccn2c1=O 963606586 IKFNFTXXPJOZDW-IVZQSRNASA-N 436.512 2.172 0 1 IEAF Cc1cc(Nc2nc(Nc3ccc(NC(=O)C4CC4)cc3)nc(N3CCN(C)CC3)n2)n[nH]1 1772573664 DQEFDSYVRUPKNF-UHFFFAOYSA-N 448.535 2.491 0 1 IEAF CC(C)[C@H](NC(=O)[C@@H]1OC(=O)[C@H]1C(C)C)C(=O)N[C@H](C(=O)OCc1ccccc1)C(C)C 1857655771 NEQHFOKLQNEKPO-LWYYNNOASA-N 446.544 2.209 0 1 IEAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccc(C(F)(F)F)cc2)n1 2356395094 KTOQDAWLCGBOMS-NMLBUPMWSA-N 439.478 2.375 0 1 IEAF CCOC(=O)CNC(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1ccccc1Br 61924016 ASRUDEWSEJHEQR-RCBQFDQVSA-N 426.311 2.330 0 3 IEAF CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)[C@@H](C)N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1C 101635986 HOMOELKBCAUBPK-KFWWJZLASA-N 432.473 2.098 0 3 IEAF C[C@H](N[C@@H](CCc1ccccc1)C(=O)O)C(=O)N1N=C(c2ccccc2)S[C@H]1C(=O)O 27518358 PCQQDJVLVOLLQJ-VHFSOBRXSA-N 441.509 2.398 0 1 IEAF CC(C)N(C(=O)CCNC(=O)C1=NO[C@H](C(O)(C(F)(F)F)C(F)(F)F)C1)C(C)C 35902126 MCEPSUNNZLCDNS-NSHDSACASA-N 435.365 2.139 0 1 IEAF COc1ccc(CN2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)cc1 40380228 LWQHQXKCLWVLLQ-UHFFFAOYSA-N 446.555 2.439 0 1 IEAF C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3ccc(F)cc32)C1)C(=O)O 71316883 HTBWAVKWLNLFGD-DYHNYNMBSA-N 444.488 2.082 0 1 IEAF CC[C@@H](COC)Nc1nc(N(C)CCN(C)C(=O)COC)nc2cc(OC)c(OC)cc12 82118203 CNQMRVCYPICMJI-HNNXBMFYSA-N 449.552 2.025 0 1 IEAF CCCN1C[C@H](C)[C@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C 95690482 ZSTCKDKDRWVGTF-CSODHUTKSA-N 435.565 2.488 0 1 IEAF CCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(C(=O)COC)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95690841 WSQGAZSPVHYFJA-QINHECLXSA-N 449.548 2.014 0 1 IEAF Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 95810361 XSAFYGBYABXFOO-VIZSFHNOSA-N 443.592 2.243 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1cccnc1 95879289 QNKBRYASTYKVNX-CJTFWIGWSA-N 444.535 2.210 0 1 IEAF COc1cccc(-c2ccc3n(c2=O)C[C@H]2[C@@H]3N(C)[C@@H](C(=O)N3CCCCC3)[C@@H]2CO)c1 95880822 MAWKGACJGPWVNT-YXPKMTABSA-N 437.540 2.130 0 1 IEAF CC(C)(C)c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C(=N)N)cc3F)C2=O)cc1 117616310 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YYRMYXBGXGANGU-SLQPCKNISA-N 449.595 2.437 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO 95881354 MEHNBTCLKHSVQN-RLBLXZPPSA-N 433.483 2.222 0 1 IEAF Cn1c(N2CCN[C@@H](c3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O 113078876 SLDPFBXUAPNNMX-LJQANCHMSA-N 433.447 2.182 0 1 IEAF COc1cc(Cl)ccc1CC1(O)CCN(S(=O)(=O)c2c(C)nn(C)c2C)CC1 207315443 WDYRJTUJRWNENR-UHFFFAOYSA-N 427.954 2.457 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@]3(C)CC[C@@]2(C)CC1 257670142 YHVXQLPNJVSDTP-CWWHQTQFSA-N 430.541 2.263 0 1 IEAF endogenous,in-man Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC[C@H](Cc3ccccc3)C2)c(=O)c1=O 299852197 OQWJAZVUDXSDOA-MRXNPFEDSA-N 429.498 2.147 0 1 IEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586945788 MCCBWTBVPXOVKU-UHFFFAOYSA-N 428.474 2.240 0 1 IEAF CCS(=O)(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587135857 QEDPTQCIVFUVKR-UHFFFAOYSA-N 433.433 2.252 0 1 IEAF Cc1noc(-c2ccc3nc(Nc4cc(CN5CCN(CCO)CC5)ccn4)[nH]c3c2)n1 1857581997 MZFVFMLCVPBJFV-UHFFFAOYSA-N 434.504 2.170 0 1 IEAF Cc1cnc(NC(=O)C2CC2)nc1-c1c[nH]c2c(NC(=O)CN3CCN(C)CC3)cccc12 1857600540 LYABOMKPKJUPPY-UHFFFAOYSA-N 447.543 2.468 0 1 IEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)Nc1n[nH]c(SCc2ccc(Cl)cc2)n1 4143942 NWSJRKVKWADPHV-VZAMPYOESA-N 443.916 2.496 0 1 IEAF COc1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)CN(C)C)c2=O)cc1 25427956 SFJPNLGKONOFRB-CVEARBPZSA-N 439.516 2.008 0 1 IEAF biogenic CCCN1CCN(CC)C[C@@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 27843456 BCEOCKZGOJADNT-CYBMUJFWSA-N 428.375 2.040 0 1 IEAF CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCC(N)CC2)o1 40893270 IRLZTQMESOKEBX-UHFFFAOYSA-N 437.552 2.321 0 1 IEAF O=C1O[C@@H](COC(=O)N2O[C@H]3C=C[C@@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 45389908 QIHOKWNYMSJTBL-HYVNUMGLSA-N 433.436 2.459 0 1 IEAF CN(C)c1ccc(-c2cccc(S(=O)(=O)Nc3ccccc3S(N)(=O)=O)c2)cn1 147304203 YFKPHJOWQCHRTC-UHFFFAOYSA-N 432.527 2.263 0 1 IEAF CCNC[C@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@H](O)[C@@H](C)N2)CC1)CC(=O)O 2356292648 ISDQYHQHQRYBLE-MYPYFEQZSA-N 442.641 2.278 0 1 IEAF CC(C)(C)NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21 6530795 QHXSEXOBFXFMCB-UHFFFAOYSA-N 429.498 2.261 0 3 IEAF C[C@@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccco1 61907527 NSQRKIMTRWVVGW-INIZCTEOSA-N 432.376 2.288 0 3 IEAF COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(N4CCNCC4)nc32)cc1 4238734 GUYMDDZLFOQLSL-UHFFFAOYSA-N 432.459 2.400 0 1 IEAF CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(Br)s1 39034140 XJKUUOPWRWMAKT-OAHLLOKOSA-N 430.280 2.118 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 40403051 HPMLNBIUWWBSTD-JWMUORBZSA-N 438.572 2.220 0 1 IEAF CN(C)S(=O)(=O)NC[C@@H]1CCCc2cc(S(=O)(=O)c3cccc(F)c3)ccc21 49036399 NCRVECLWZWNJKY-HNNXBMFYSA-N 426.535 2.474 0 1 IEAF COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccncc4)cc3)NC(=O)NC1=O)C2 58590510 UNCBVXXZWZQBOV-DEOSSOPVSA-N 428.448 2.448 0 1 IEAF C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(S(=O)(=O)CCO)cc2)ncc1C(F)(F)F 118162113 OKVAXHZNBTZJCB-GHMZBOCLSA-N 435.424 2.153 0 1 IEAF CC[C@@H]1CCCNC(=O)[C@H](C)[C@@H](O[C@H]2O[C@@H](C)[C@H](O)[C@@H](N)[C@@H]2O)CC[C@H](C)CCC1 238753898 ZRJBXPCQRSLIKK-DOKQERAJSA-N 428.614 2.324 0 1 IEAF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2c(N)cccc2Br)c1OC 587936503 JULIVLIQOBLVSX-UHFFFAOYSA-N 427.251 2.269 0 1 IEAF O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2ccc(N3CCCCCC3)nn2)CC1 1772630163 IPEGGFULFNUETR-UHFFFAOYSA-N 445.545 2.097 0 1 IEAF Cn1c(COc2ccc(F)c(C(N)=O)c2F)nn(-c2ccc(Br)cc2)c1=O 1857575854 ZNPRCCGUPQMSSW-UHFFFAOYSA-N 439.216 2.290 0 1 IEAF COc1ccc(CNC(=O)[C@H]2CCC[C@@H](NC3CCN(C)CC3)CN(C)C(=O)C2)cc1 2356388910 XREJMXZXGBRPJD-PZJWPPBQSA-N 430.593 2.012 0 1 IEAF CC(=O)O[C@@H]1C[C@H](C)[C@@]23CC(=O)O[C@@H](C2)[C@](C)(O)[C@](C)(COC(=O)c2ccccc2)[C@@]13O 2356612192 WVABBPGSYIRNDV-BMPUPFENSA-N 446.496 2.009 0 1 IEAF O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCc4ccccc43)ccc21)NC1CCCC1 6577005 UJRKABQSANBAON-UHFFFAOYSA-N 441.509 2.405 0 3 IEAF O=C(C[C@@H]1C/C=C\CCCC(=O)OC[C@@H]2CCCN2C1=O)N[C@H](CO)Cc1ccccc1 61948433 GQMAKBNGZMRQOI-OHZSJAQHSA-N 442.556 2.377 0 3 IEAF COc1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1NC(=O)CN 1550372 RBKAYXWEPWKRAD-UHFFFAOYSA-N 425.335 2.089 0 1 IEAF O=C1CCNC(=O)N1CCCN1CCN(c2ccc(F)cc2OCC(F)(F)F)CC1 13490010 UOHTVECYVGDMIO-UHFFFAOYSA-N 432.418 2.221 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc34)[C@H]2SC1 40434463 UZTZFVASHBYFNE-IIYDPXPESA-N 437.930 2.313 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CO[C@@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@@H]5O)[C@]3(C)CC[C@]2(C)CC1 85729724 YUCYEVHMFBEBSC-BWKVAMGWSA-N 432.557 2.054 0 1 IEAF in-man COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CN(C(=O)c2ccccc2)C1 95662440 FKYOZFFEXRTSML-OAQYLSRUSA-N 433.508 2.476 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2CC 95796863 HQFVCHOGXOFNCD-YJMBLLCNSA-N 425.529 2.034 0 1 IEAF CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@@H]43)n2)s1 618013615 XBHHHWHSSJJQGX-HEHGZKQESA-N 433.559 2.256 0 1 IEAF Nc1ncc(-c2cccc3[nH]ncc23)nc1C(=O)Nc1ncccc1N1CCC(N)CC1 1772581559 PBMUEOYWGJZICW-UHFFFAOYSA-N 429.488 2.177 0 1 IEAF CCCCCOC(=O)[C@@H](N[P@@]1(=O)CO[C@@H](COc2ncc(F)c(=N)[nH]2)CO1)C(C)C 1911586866 VYGWOVAYVUFJLS-ZBBOKVIYSA-N 448.432 2.321 0 1 IEAF CC[C@@H]1CCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N)[C@@H]2O)[C@H](CC)CCCNC1=O 2356550472 UMIXLFVCEQZYQG-LNSBQXKMSA-N 428.614 2.469 0 1 IEAF CC(=O)O[C@@H]1[C@@H](O)O[C@H](CO)[C@H](OC(=O)CCCCCCC(C)C)[C@H]1OC(=O)C(C)C 2356678621 NGAMOCQRJKYUCR-UCMHIRGCSA-N 446.537 2.104 0 1 IEAF Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NCc3ccco3)[C@H]4C2=O)c1 1346652 RUHWNESPTVCFNF-KDNSLJGTSA-N 436.464 2.042 0 3 IEAF COC(=O)[C@@H]1OC(=O)[C@H]2O[C@@]23[C@@]1(C)CC[C@@H]1[C@@]2(C)C=CC(=O)OC(C)(C)[C@@H]2CC(=O)[C@]13C 36389506 HXSOVZNCOWCJFI-RUQJEUOQSA-N 446.496 2.132 0 3 IEAF COC(=O)c1ccc(S(=O)(=O)N2CCC(NC(=O)Cc3cccc(C)c3)CC2)cc1 201477138 BOZFPXHVTMHWCO-UHFFFAOYSA-N 430.526 2.294 0 3 IEAF Nc1nc(N2CCN(Cc3ccnc4ccccc34)CC2)nc2nc(-c3ccco3)nn12 13581820 KOFRUVVYUCYMLY-UHFFFAOYSA-N 427.472 2.232 0 1 IEAF CC[C@H](NC(=O)c1ccc(C(=N)N)cc1F)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 13779888 LKTCUFLNSKQNFZ-KRWDZBQOSA-N 434.512 2.358 0 1 IEAF COc1ccc(CCNc2nc(NC[C@@H](O)CO)nc3cc(OC)c(OC)cc23)cc1 82131775 ADFGEQJEOMRIPE-OAHLLOKOSA-N 428.489 2.075 0 1 IEAF C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@H](C)CO)S2(=O)=O 95702143 HGRXOVGPYAFSIY-YCRBQBAOSA-N 436.574 2.357 0 1 IEAF CN1C(=N)N[C@](C)(c2cc(NC(=O)c3ccc(Cl)cn3)ccc2F)CS1(=O)=O 144544069 VBWPFVMZZPWFMD-KRWDZBQOSA-N 425.873 2.141 0 1 IEAF C[C@]12Cc3[nH]nc(C(=O)Nc4cnn([C@H](CS(C)(=O)=O)c5cccnc5)c4)c3C[C@@H]1C2 210989722 UNOQZKVEUMPMMM-IQVOZAENSA-N 440.529 2.012 0 1 IEAF C=Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]3O[C@H](CO)[C@@H](OCc4ccccc4)[C@@H]3O2)cc1 1772653130 DZYKLFDQPZJAEY-OOWPADAASA-N 445.537 2.111 0 1 IEAF COc1cc2c(cc1OC)C(=O)[C@@H](Cc1cc[n+](Cc3cccc(O)c3)cc1C(N)=O)C2 1857536802 XBZUEBYOBNTHJL-SFHVURJKSA-O 433.484 2.442 0 1 IEAF COc1cccc(CNC(=O)Cn2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1OC 8604801 JKDUSTHKOTUONG-UHFFFAOYSA-N 438.406 2.396 0 1 IEAF CCN1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 95570776 DNAAFAZERTXCJG-ZQRMPTRQSA-N 444.535 2.210 0 1 IEAF O=S(=O)(N[C@H]1CCN(Cc2cccc(OCCO)c2)C1)c1cccc2cccnc12 95785498 MCVFTFKBMVSRLI-IBGZPJMESA-N 427.526 2.159 0 1 IEAF O=C(CC1CC1)N1CC2(C1)[C@@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 95796393 SUOVTYHBPNANGR-GGAORHGYSA-N 440.565 2.358 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1CC1CC1 95880928 QFKHZWXDHHRPED-KRXUUXHPSA-N 425.504 2.164 0 1 IEAF COC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 95892189 CXAVERPQLGMZKL-FNHZYXHNSA-N 443.456 2.179 0 1 IEAF CS(=O)(=O)c1ccc([C@@]2(CO)N[C@H](C(=O)O)Cc3c(C(F)(F)F)cc(F)cc32)cc1 962698412 HGPALZZWDZQUKT-FUHWJXTLSA-N 447.406 2.083 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4scnc34)CC1)CCC[C@@H]2O 1772586171 ORRGIUCJVXIACQ-SFHVURJKSA-N 425.558 2.353 0 1 IEAF COc1cc(Cl)nc(NC(=O)NS(=O)(=O)Oc2ccccc2C(=O)OC(C)C)n1 1857584629 CGSZLGONTDFLPN-UHFFFAOYSA-N 444.853 2.149 0 1 IEAF CCCCC[C@H](O)C=C[C@H]1[C@@H]2CC(=CCCCC(=O)OC(CO)CO)O[C@@H]2C[C@H]1O 2356340449 PAZIMHKUNWKSLH-XXGVUKKKSA-N 426.550 2.220 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO 768373 ZOAMONKLMYFYBX-WDYCEAGBSA-N 429.542 2.100 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4cccc(F)n4)CC3)c(F)c2)C(=O)O1 27207281 QFEUKCUMHZEQPB-INIZCTEOSA-N 431.443 2.148 0 1 IEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC(CO)CO 38468756 HJWDPZIOTMUWRW-CXZSOYKBSA-N 426.550 2.063 0 1 IEAF CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 95879189 HXVSQQAEYHQLEB-KZKAQZJJSA-N 434.540 2.111 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 95904229 FSCPNKZYECBZAT-MISYRCLQSA-N 442.553 2.099 0 1 IEAF O=C1CC[C@@H](C(=O)N2CCC(Oc3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)N1 166037028 VWCQKHBWLYFTHS-NRFANRHFSA-N 449.511 2.278 0 1 IEAF Cc1nc([C@H](NC(=O)c2ccc(N3CCC34COC4)c(OCC3CC3)n2)C2CC2)no1 207736551 HOCITZAZEQQSKB-GOSISDBHSA-N 425.489 2.422 0 1 IEAF Cn1cc(-c2cc3c(-c4cc(N5CCN6C(=O)OC[C@@H]6C5)ncn4)n[nH]c3cc2F)cn1 225573119 XFSAUOKPQKWCOE-ZDUSSCGKSA-N 434.435 2.200 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@H](C)O)cc1 586935760 GIKIEHSYNGHQNY-TVQRCGJNSA-N 441.307 2.129 0 1 IEAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3cccc(F)c3)C2)C(=O)N1Cc1ccccc1Cl 2356290003 GDYXKESEBYIJIA-ICSRJNTNSA-N 443.906 2.038 0 1 IEAF COCc1c(O)ccc(Cc2c(O)cccc2C=C[C@H](O)[C@H](C)O)c1C=C[C@H](O)[C@@H](C)O 2356722073 XPBZOXVPRZUJPE-IAAUVJCUSA-N 444.524 2.345 0 1 IEAF O=C(NC1CCCC1)[C@@H]1C[C@H](O)[C@H](O)[C@H]2NC(=S)N(c3cccc4ccccc34)[C@H]21 2356867819 WWMLXFWVRZNZSB-GVVDHYSOSA-N 425.554 2.072 0 1 IEAF Cc1ccccc1N1C[C@@H](C(=O)Nc2nnc(SCCN3CCOCC3)s2)CC1=O 22627784 ZPVITULIEFILFT-HNNXBMFYSA-N 447.586 2.262 0 3 IEAF C[C@@H](O)[C@H]1C(=O)NC2=Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN21 26952339 HCBHJNHOGXHCLR-VFNWGFHPSA-N 428.533 2.319 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@@H]2SC1 40434232 DOFARGWBIZFTGU-VCBZYWHSSA-N 431.901 2.252 0 1 IEAF CC(=O)OCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82196341 HINPLNDAPMYVFS-UHFFFAOYSA-N 426.395 2.002 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C 95688368 YTFMHZRWJRHUBM-DRSNIGMVSA-N 447.576 2.488 0 1 IEAF C[C@@H]1C[C@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 101177645 HPMLNBIUWWBSTD-MBICXCLHSA-N 438.572 2.220 0 1 IEAF C[C@@H](OC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)C(=O)Nc1ncc(Cl)cc1Cl 101510063 STIUFXKINYWTDP-USWWRNFRSA-N 428.272 2.434 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 586937736 NCUYTBNQKOUYSJ-BJOHPYRUSA-N 430.408 2.386 0 1 IEAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586947286 VRFVZVAOGYQTNC-HNNXBMFYSA-N 449.554 2.481 0 1 IEAF COCCOc1ccc(C(=O)N[C@@H]2CN(Cc3ccc(OC)cc3)CCC[C@@H]2O)cc1 2356846435 ONXVDEZDBZWARA-PKTZIBPZSA-N 428.529 2.476 0 1 IEAF CCCCN1[C](N)C(C(=O)NCc2ccc3c(c2)OCO3)=Cc2c1nc1ccccn1c2=O 2356852347 RVYWNHQLNKEHAT-UHFFFAOYSA-N 446.487 2.191 0 1 IEAF COc1cccc(CNC(=O)c2nnn(CC(=O)Nc3cc(Cl)ccc3C)c2N)c1 8595689 NUJZZLHXXTUWHT-UHFFFAOYSA-N 428.880 2.399 0 3 IEAF aggregator Cn1nnc(-c2ccc(-c3ccc(N4C[C@H](COc5ccon5)OC4=O)cc3F)cn2)n1 3961693 INDSFRHHAWVRGR-CQSZACIVSA-N 437.391 2.470 0 1 IEAF COC(=O)Nc1ccc(-c2nc3c(c(=O)n(C)c(=O)n3C)n2-c2ccc(OC)cc2)cc1 72173332 MUEZSYAERJTIBI-UHFFFAOYSA-N 435.440 2.277 0 1 IEAF CCCS(=O)(=O)Nc1ccc(F)c(NC(=O)Nc2ncnc3[nH]nc(OC)c23)c1F 72317572 DSTRIYGNZWQWJL-UHFFFAOYSA-N 441.420 2.435 0 1 IEAF C/C=C(\C)C(=O)N1C[C@@H](OCCCc2ccccc2)C[C@@H]1C(=O)N1CC[C@H](NC(C)=O)C1 82197720 XFAZEUCOKRLPHX-ULLRGPLVSA-N 441.572 2.309 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOC[C@@H]4C)n2)S(=O)(=O)CCC3)cc1 84669655 WYMTXCBVHNGIIC-AWEZNQCLSA-N 445.545 2.230 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95688364 YTFMHZRWJRHUBM-GSHUGGBRSA-N 447.576 2.488 0 1 IEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1 95796618 YBAORXZWGSLBOD-IDZOVPKWSA-N 434.602 2.311 0 1 IEAF CN1[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO 95798350 NGNOHUKRULKOGE-YJMBLLCNSA-N 425.504 2.307 0 1 IEAF CN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1nccs1 95879873 DPKUDQHSNUTSJO-GDAAHCPNSA-N 440.500 2.343 0 1 IEAF O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)CC4CC4)ccc3O[C@@H]2[C@H](CO)O1)NCC(F)(F)F 95900492 PIWWRJKYNWMMLJ-IDVHHABFSA-N 442.434 2.488 0 1 IEAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CCC3(O)CCCC3)ccc1-2 142920980 FXENJTMDNMCZIQ-IBGZPJMESA-N 426.513 2.498 0 1 IEAF CC(C)(O)[C@@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 206127750 UQDAVBWADZJLOV-KRWDZBQOSA-N 434.543 2.468 0 1 IEAF CCN(C)Cc1ccc(N2CCC(NS(=O)(=O)c3ccc4c(c3)CCO4)CC2)nc1 230561223 NOQFVBYWEZCVGL-UHFFFAOYSA-N 430.574 2.416 0 1 IEAF CNc1nc(C)c(-c2nnc(SCc3cn(Cc4cnc(C)nc4N)nn3)o2)s1 653746448 XHNFKQJCSDAAQO-UHFFFAOYSA-N 430.523 2.156 0 1 IEAF C[C@H](CO)n1cc(C(=O)c2cncc(NC(=O)Cn3cc(C4CC4)nn3)c2)c2cnccc21 1772624372 NTYVTLRSRZAIKS-CQSZACIVSA-N 445.483 2.323 0 1 IEAF CC(=O)Nc1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1 1857604600 JAOCIZPPODBUSV-UHFFFAOYSA-N 438.557 2.219 0 1 IEAF Cc1cc2c(cc1C)-n1nnnc1[C@H](N1CCN(C(=O)OCc3ccccc3)CC1)C(=O)N2 95569487 LOOXSOJDMLCDEA-FQEVSTJZSA-N 447.499 2.227 0 3 IEAF CNC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O 1538484 CLDWFWQEHSJBDI-MOPGFXCFSA-N 425.485 2.029 0 1 IEAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 4039633 BXZDTCACGZGXAW-JTHBVZDNSA-N 441.528 2.368 0 1 IEAF CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)O 15955698 SKBIEKVODOEATC-ASSNKEHSSA-N 440.452 2.057 0 1 IEAF biogenic CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@@]5(O)CCO[C@H]6O[C@@H]([C@@H]4[C@@]6(O)[C@H]5O)[C@]3(C)CC[C@@]2(C)CC1 70454461 PYJPOSCLPFOSMN-HXIGSHLHSA-N 446.584 2.445 0 1 IEAF biogenic,in-vitro CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@H](C)CO)C[C@H]1C 95862225 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CC(C)[C@@H](NC(=O)[C@H](C)C[C@H](O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(N)=O 28458046 PPPSLCWYJCGPKR-OQIJWPOYSA-N 435.565 2.136 0 1 IEAF C[C@H](Cc1coc2nc(N)cc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 29567453 RZADSRPQWMYEEU-BZNIZROVSA-N 440.456 2.386 0 1 IEAF O=C(C1CCCC1)N1CCN(c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)CC1 40974460 SKIGLUBHAWPLJF-SFHVURJKSA-N 442.495 2.281 0 1 IEAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@@H](O)CN1CCN(c2ccccc2)CC1 84688282 MCCFYSJUNSXQJD-RUAJRXAUSA-N 440.931 2.416 0 1 IEAF C[C@H](NC(=O)C[C@@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 95675113 KEJHSICNFQEVJK-MEGFKASBSA-N 448.516 2.056 0 1 IEAF CCCc1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccccc3Cl)[C@H](CO)O2)nn1 95675922 PYJMYSQFCOCJMQ-SZMVWBNQSA-N 442.969 2.161 0 1 IEAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(Br)cc1)[C@@H]2CO 95866839 KHVUMFIUAWWNMC-LQWHRVPQSA-N 429.314 2.189 0 1 IEAF O=C(NCC(F)(F)F)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCCC1 95880089 KQLKHOBLWRNMDA-IAAVTCLWSA-N 427.467 2.071 0 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CCS(=O)(=O)N[C@@H]1C=C[C@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO 95676476 WANWEHJGGGHASC-NJDAHSKKSA-N 430.526 2.306 0 1 IEAF CCOC(=O)c1nc(-c2ccc(NC(=O)NC)cc2)nc(N2CCOCC2)c1OCC 118173391 QGJMTOHCCLZCOO-UHFFFAOYSA-N 429.477 2.307 0 1 IEAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N1CCC[C@@H](C(=O)O)C1 169698903 YYZHMTSKPMAKTP-DZGCQCFKSA-N 427.457 2.285 0 1 IEAF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586945310 DEPORFADDWRENW-UHFFFAOYSA-N 437.421 2.474 0 1 IEAF C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@@H]2[C@H]1C 618014375 XQHFDFNKFUQLTB-IZTVENFFSA-N 448.614 2.243 0 1 IEAF CCOC(=O)[C@H](C)[C@]1(C(=O)OCC)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962627446 GFBDGDJPSCTZIX-KCJDHBRGSA-N 433.379 2.142 0 1 IEAF O=C(c1cnn(-c2nc(O)c3c(n2)CCC3)c1)N1CCN(c2ccc(F)cc2F)CC1 1857582687 YKRDMNWVILVWIW-UHFFFAOYSA-N 426.427 2.097 0 1 IEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](C)C(=O)O 27879561 CGITWACPUYXSBM-USXIJHARSA-N 430.438 2.184 0 1 IEAF NC(=O)COC[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1 28018575 MKUZMWODXPJNGG-NHCUHLMSSA-N 439.512 2.017 0 1 IEAF O=C(CC1CC1)N1[C@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccc(F)cc3)C[C@@H]21 95893684 DOEUZOXRYYTSJB-TUNNFDKTSA-N 430.501 2.490 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3[C@H]3C[C@H]32)cc1 195098007 UJISMJDOFFHTEW-OROIIQQLSA-N 431.496 2.397 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3ccnn3)c2)c1 205648446 ZFYSWSAVTSDYNI-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(c2ncccn2)CC1)Nc1ccccc1 2356285977 FEFYAJMDOKWGIX-SJBKTWHCSA-N 435.576 2.131 0 1 IEAF COc1cc(-c2csc(-n3ncc(C(=O)NCCCO)c3C)n2)cc(OC)c1OC 13602524 IICVEJFUXWCLBV-UHFFFAOYSA-N 432.502 2.442 0 1 IEAF Cc1ccccc1-c1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)N2CCNCC2)co1 82074467 VVMVNHMENCHYSE-QFIPXVFZSA-N 448.523 2.397 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)c3ccncc3)cc2C1=O 95861539 NQYPTHXHXGOLGT-XFQAVAEZSA-N 426.517 2.116 0 1 IEAF Cc1ncccc1Oc1ncnc(O[C@H]2C[C@@H]3C[C@@H](O)[C@@H](C2)N3S(=O)(=O)C2CC2)c1C 101417658 PFZMZPXWQVAMES-CYGHRXIMSA-N 446.529 2.118 0 1 IEAF Cc1cc(CNC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)NCCCCN2CCCC2)C32CC2)no1 168343361 QLAMQAZESNJLHC-PLACYPQZSA-N 426.561 2.420 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)[C@H](F)CC1 169699439 UNPUCKRJJQRLJX-NEPJUHHUSA-N 430.513 2.039 0 1 IEAF CC(C)N1CCN(CCNC2CCN(c3cccc(NS(=O)(=O)C4CC4)c3)CC2)CC1 618009544 YZOTYJZSNGICEJ-UHFFFAOYSA-N 449.665 2.175 0 1 IEAF C[C@@H](O)[C@@H](NC(=O)Nc1cc2[nH]nc(OCC(F)F)c2c(CO)n1)c1ccc(F)cc1 1772592999 WRMJMVGIVAEFGD-VVVCHXIZSA-N 439.394 2.477 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccco1 2356726747 USGVVKAVNFJEGK-ADAARDCZSA-N 436.556 2.001 0 1 IEAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95797028 OMZRRYJSGQRHIY-XKGZKEIXSA-N 429.517 2.284 0 1 IEAF CCCNC(=O)N1CC2(C1)CN(C(=O)CC)[C@H](CO)c1c2c2ccc(OC)cc2n1C 95868637 CHZAQMAYGJVYOC-GOSISDBHSA-N 428.533 2.146 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@@H]([C@H]5C[C@H]54)[C@H]3C2=O)cc1 195097989 UJISMJDOFFHTEW-YDRVBMSGSA-N 431.496 2.397 0 1 IEAF O=C(CCOCCc1ccccc1)NCCNCCc1ccc(O)c2[nH]c(=O)sc12 13524255 CMOORUPKABTWGD-UHFFFAOYSA-N 429.542 2.193 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@@H]2C1)c1ccncc1 25200761 JRUSVJALWBKODV-CJNGLKHVSA-N 429.274 2.199 0 1 IEAF biogenic COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Nc4ccccc4[C@@H]3N(C)C2=O)CC1 40420412 VFBNJJWSAOVOMH-YADHBBJMSA-N 435.528 2.247 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2nccs2)[C@@H](C(=O)NCC2CC2)[C@@H]1CO 95881530 LDJBNXGTZHCRNA-CENIDRTRSA-N 440.569 2.028 0 1 IEAF CCn1ncc2cc3nc(c21)C[C@H](O)COC[C@H](c1ccc(OC)c(F)c1)NC(=O)N3 1772612514 ABTYOLPYCNKOPC-WMLDXEAASA-N 429.452 2.395 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@]6(O)CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@@]3(C)CC[C@@]2(C)CC1 2356513139 SZSZXZMZHMANSY-FSUBXIDBSA-N 446.540 2.352 0 1 IEAF COc1ccc(CNc2nc(N3CCN(CCO)CC3)nc3c2ncn3C(C)C)cc1 26399445 BUMYEVXLCMSBRE-UHFFFAOYSA-N 425.537 2.142 0 1 IEAF CCN1CCC[C@H](OC(=O)C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)C1 45187723 OBQRSLPLKVZJPU-KRWDZBQOSA-N 427.453 2.407 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc2nc(C)ccc2c1)C(C)C 64622686 DWYDATMBCCTPOC-NDXORKPFSA-N 439.560 2.221 0 1 IEAF CN1CC(=O)N2[C@@H](CNC(=O)OCc3ccccc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 84604212 YEYRQWRCKYSUHA-UXHICEINSA-N 432.480 2.361 0 1 IEAF CC(C)c1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 169365797 JCUAKYNOPWFLHK-FUCAVZNHSA-N 439.556 2.253 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccnc(F)c3)sc2N)c1N1CCC[C@H](N)CC1 169699462 BZIRJBNABBUWQU-LBPRGKRZSA-N 430.513 2.230 0 1 IEAF CCN(CC)C(=O)Cc1c(-c2ccc(OCCF)cc2)nn2c(CO)cc(CO)nc12 299853480 LHPXGUQPDQIIDB-UHFFFAOYSA-N 430.480 2.140 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)ncc3[nH]2)[C@H](C)O)cc1 586937778 NLVQAQZMVKDKRD-BJOHPYRUSA-N 441.307 2.129 0 1 IEAF CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3cccc(F)n3)[C@H]2N2C1=N[C@@H]1CCC[C@@H]12 653697701 UCSMYZDJTKGADG-WWMYMODYSA-N 433.491 2.255 0 1 IEAF N=C(NC(=N)N1CCN(C(=N)NC(=N)Nc2ccccc2F)CC1)Nc1ccccc1F 1772596302 SVAUEUFROJRERJ-UHFFFAOYSA-N 442.478 2.025 0 1 IEAF CS(=O)(=O)CCc1cnc(N)c(-c2ccc(C(=O)NCc3ccccc3)c(F)c2)n1 1772610311 PUQZBGYALTUMSY-UHFFFAOYSA-N 428.489 2.382 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 2356413504 ZCTHOTXPRNWRNQ-PQDVQMMASA-N 426.513 2.138 0 1 IEAF COc1cc([C@H]2Oc3c(OC)cc(CCCOS(=O)(=O)O)cc3[C@H]2CO)ccc1O 15169046 KXNUUGLBJAAEGW-DNVCBOLYSA-N 440.470 2.371 0 1 IEAF biogenic CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]21 25227700 LMFYVFCVLXFQLV-YDZRNGNQSA-N 434.470 2.111 0 1 IEAF biogenic Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 95818510 XSAFYGBYABXFOO-QTEQDKRBSA-N 443.592 2.243 0 1 IEAF CN1CCN(c2nc([C@@H]3C(=O)NC(=O)[C@H]3c3c[nH]c4ccccc34)c3ccccc3n2)CC1 103045041 QYMDWEPIJODSDN-LEWJYISDSA-N 440.507 2.387 0 1 IEAF NC(=O)c1cc(N2CCC[C@H]2C(N)=O)nc(-c2ccc(Oc3ccc4c(c3)OCO4)cc2)n1 144589928 MABRSLPTUOHHJW-KRWDZBQOSA-N 447.451 2.218 0 1 IEAF CCOC(=O)c1cnc2ccc(OC)cc2c1N1CCN(c2cc(C)nc3ncnn23)CC1 481688453 LCVWGURXKMSYQV-UHFFFAOYSA-N 447.499 2.493 0 1 IEAF CCOC(=O)Cc1ccc2nc(-c3ccc4c(c3N)CCN(S(C)(=O)=O)C4)[nH]c2c1 586954856 HWVPKTLWBANKQW-UHFFFAOYSA-N 428.514 2.235 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 587751370 YCAPRVKEWUWOQR-CVFAGQLSSA-N 438.297 2.456 0 1 IEAF CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 888075807 UZKQKLOUKVAGDI-HKKHYUGTSA-N 442.604 2.310 0 1 IEAF CCCCN1CC(=O)N2[C@H]3c4cc(OC)ccc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O 36389011 AEWSZCMVWOMOTM-LOODEUFTSA-N 430.501 2.167 0 3 IEAF COC(=O)[C@H](Cc1cccc(C(=N)N)c1)[C@@H](C)NC(=O)c1ccc(-c2ccc[n+]([O-])c2)cc1 13443072 RKQMFZWVILJGHL-OPAMFIHVSA-N 446.507 2.421 0 1 IEAF C=CC(=O)OCCOC(=O)CCC(=O)O[C@H]1C(=O)N(SC)[C@H]1c1ccccc1Cl 28816436 LPFBBGRRTMIUGF-ZWKOTPCHSA-N 441.889 2.466 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)[C@@H]1CSCN1 33547744 DTXBMQQVHMMDDB-FHLIZLRMSA-N 442.566 2.119 0 1 IEAF biogenic COCCOc1nc(N)c2nc(NCCN3CCCCC3)n(Cc3ccccc3)c2n1 40567180 IKXWXXPHLVYQDN-UHFFFAOYSA-N 425.537 2.380 0 1 IEAF Cc1ccc(C(=O)NCCO)cc1-n1cnc(OCc2ccc(F)cc2F)c(C)c1=O 72176604 GVLJXGMAEGUPMP-UHFFFAOYSA-N 429.423 2.429 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCCC2)C1 95666715 APSMZKJGTNQCRH-NRFANRHFSA-N 440.588 2.357 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2C(=O)CC1CC1 95881283 LSVYSAUWIYPTMR-IVOMFYJKSA-N 440.471 2.118 0 1 IEAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1NC1=CCOC=C1 102954685 WKFYYGKWFCJJKN-UHFFFAOYSA-N 436.449 2.239 0 1 IEAF CCNC(=O)Nc1nc2cc(-c3ccc(-c4nnnn4C)nc3)c(=O)n(C(C)C)c2s1 103264834 PHWSEHLIXFUKOW-UHFFFAOYSA-N 439.505 2.433 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 169356159 YFQAWMHNJIJEKU-IAFMIZDJSA-N 442.468 2.461 0 1 IEAF CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ncc[nH]c-3n2)cc1 586933291 OYYQNUHHARLIEF-UHFFFAOYSA-N 436.453 2.049 0 1 IEAF CN(C)S(=O)(=O)c1ccc2[nH]c(-c3cccnc3S(=O)(=O)C(F)(F)F)nc2c1 587127188 NQTPHBKLKOFGGA-UHFFFAOYSA-N 434.421 2.169 0 1 IEAF COc1cnc2ccc(=O)n(CCN3CCN(C(=O)Nc4ccc(C(C)=O)cc4)CC3)c2c1 653810866 GCXVZVBLYWPNMU-UHFFFAOYSA-N 449.511 2.457 0 1 IEAF CCOCc1cn(-c2cccc(S(=O)(=O)Nc3ccccc3N3CCOCC3)c2)nn1 1911580303 BRHWJHSCHXXOTK-UHFFFAOYSA-N 443.529 2.441 0 1 IEAF CC[C@H]1[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]45O[C@]4([C@@H](O)[C@]1(C)C[C@@]24O)[C@]35O 2356578570 WRNDEBIWESHAGQ-RFQVLLJXSA-N 444.524 2.485 0 1 IEAF COCCOc1ccc(C(=O)N[C@H]2CN(Cc3ccc(OC)cc3)CCC[C@@H]2O)cc1 2356846434 ONXVDEZDBZWARA-GOTSBHOMSA-N 428.529 2.476 0 1 IEAF Cn1nc(Cl)c2cn3nc(NCCN4CCN(c5ccccc5)CC4)ccc3c2c1=O 13782728 NZTHPWQOSONJAR-UHFFFAOYSA-N 437.935 2.469 0 1 IEAF O=C(Nc1cccc(Cl)c1)N[C@H]1CC[C@@H](CCNC(=O)C2CCOCC2)O[C@H]1CO 95675832 PBAPATWUXUNVNP-FHWLQOOXSA-N 439.940 2.303 0 1 IEAF COc1nc(N2C[C@H]3C(=O)N(C)C(=N)N[C@@]3(c3ccc(F)cc3F)C2)nc(C2CC2)c1F 96173877 PJKIIGJWCYFDPJ-YEJXKQKISA-N 446.433 2.108 0 1 IEAF O=C1CC[C@@H](N2Cc3cc(CNC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1 116111568 BCTZVDWPHVNFTR-QGZVFWFLSA-N 426.860 2.423 0 1 IEAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OC[C@H]3CCCCO3)ccc1-2 143043445 FKTFVDHBAYCXFO-MOPGFXCFSA-N 428.485 2.209 0 1 IEAF COc1cc2c(c(OC)c1)[C@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1cccnc1 169360689 DOMYQNDGOGEIPJ-BBTUJRGHSA-N 435.480 2.171 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2O)N(C(=O)Cc2ccccc2OC)C1 299881151 NMGBXRZJKQOTOP-XRXFAXGQSA-N 432.561 2.444 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 587838688 DNXLOBQXUOLMBR-QGHHPUGFSA-N 428.327 2.237 0 1 IEAF Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4ccccc4F)nn3)[C@H]2O)cc1 1772652800 SPWDDLPVHYIRJF-IFLJBQAJSA-N 431.489 2.165 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@H]([C@H](O)C[C@H]3[C@@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C 2356456375 BEHATSBFTMUVJZ-OTUWXZMFSA-N 437.577 2.059 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@H]43 2356698666 JEKCMGKEQFMXCT-OTGYPNLISA-N 442.512 2.214 0 1 IEAF CO[C@@H]1[C@H](C)O[C@H](Oc2cccc(CCCCCCCCC(=O)O)c2N)[C@@H](O)[C@@H]1O 2356732709 QBDYOKIMEDJTMQ-FAAFFXKRSA-N 425.522 2.487 0 1 IEAF COc1ccc(CC(=O)O[C@@H]2CC(C)=C3C(=O)C=C(CO)[C@@H]3[C@@H]3OC(=O)[C@H](C)[C@H]32)cc1 13338656 ODEQFXNTANCTMD-KBVUCHHVSA-N 426.465 2.165 0 1 IEAF biogenic C[C@]12Cc3cnn(-c4ccccc4)c3C=C1CC[C@@H]1OC3(CC=C12)C(=O)NC(=O)NC3=O 13651642 AESWDEXOWUESBF-CVDCTZTESA-N 430.464 2.432 0 1 IEAF COCCNC(=O)[C@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(OC)cc4)nc23)C1 20564536 UPBNTPFIBCLPSN-KRWDZBQOSA-N 438.532 2.420 0 1 IEAF CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2CNC(=O)OCc2ccccc2)C1=O 84604214 YEYRQWRCKYSUHA-WOJBJXKFSA-N 432.480 2.361 0 1 IEAF CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1 149024733 YCGXTQBUOQDIGK-UHFFFAOYSA-N 426.492 2.073 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3[C@@H](c4ccccc4N3C)N(C)C2=O)CC1 169290405 VYVHLZRIUNDLHU-PKTZIBPZSA-N 449.555 2.271 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@H]1C 169299291 HHEXKUYCUJXZBF-MCPGZMOKSA-N 437.533 2.272 0 1 IEAF O=S(=O)(Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1)c1ccc2c(c1)OCCO2 586950069 OLDRSGGTCQIWDS-UHFFFAOYSA-N 441.425 2.003 0 1 IEAF N[C@@H](Cc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587225316 OQODLAGROWDSHV-GOEBONIOSA-N 442.497 2.018 0 1 IEAF O=S(=O)(Nc1ccccc1-c1cn(-c2ccccc2F)nn1)c1cnc(O)nc1O 1857606966 KNHGRMSVJWVLHD-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF COc1ccc(-c2cc(C[C@@H]3CC[C@@H](O)[C@H](CNC4CCN(C(C)=O)CC4)O3)no2)cc1 2356614435 UOMOYNOKVQBQAV-ZDXQCDESSA-N 443.544 2.402 0 1 IEAF COc1cc(C=CC(=O)OCC(O)COC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O 2356739294 PATJZXBBUQEFOY-UHFFFAOYSA-N 444.436 2.289 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc4c(C[n+]5ccc(N)cc5)cccc4c3)C[C@H]12 26732093 HGUBOEOAXJWASZ-KHIBUBOWSA-O 430.484 2.165 0 1 IEAF O=C(O)C[C@@H](NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF 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CCNC[C@](O)(CC[C@H](CO)CCC1CCC([C@@H]2CC[C@@H](O)[C@@H](C)N2)CC1)CC(=O)O 2356292647 ISDQYHQHQRYBLE-JCQSQISMSA-N 442.641 2.278 0 1 IEAF CC(C)C(=O)OCC1(N(C(=O)C(C)C)c2ccccc2)CCN(CCn2ncnn2)CC1 28016750 JVZFUMHYFWTGBN-UHFFFAOYSA-N 442.564 2.396 0 1 IEAF NC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)sc2c1CCNC2 64540656 HBJCPWMPXRGXDO-UHFFFAOYSA-N 427.452 2.226 0 1 IEAF CN1CCN(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(F)cc4C3)cc2)CC1 166972792 DXPGWRWIFUFEST-UHFFFAOYSA-N 425.508 2.351 0 1 IEAF C[C@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(N4CCNC(C)(C)C4)nn3)nc21 169706861 JCZGUPPWACSKRR-AWEZNQCLSA-N 433.520 2.082 0 1 IEAF Cc1ccc(Cn2cc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)nn2)cc1 299836534 NIKGBPNJVINGRM-OAQYLSRUSA-N 446.444 2.034 0 1 IEAF C[C@H](NC(=O)[C@H](N)c1ccccc1)C(=O)N[C@H]1CC=C[C@H](C2CCCCC2)N(C)C1=O 473096827 AQHAXDQTHJUEHN-VRXWPRPYSA-N 426.561 2.043 0 1 IEAF CC[C@H]1[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](c5ccoc5)OC(=O)C[C@]45O[C@]4([C@H](O)[C@]1(C)C[C@@]24O)[C@]35O 2356578568 WRNDEBIWESHAGQ-BHVHZAHISA-N 444.524 2.485 0 1 IEAF COc1ccc(CC(=O)N2CC[C@@H](CC(=O)O)[C@@H](CCN3CCC(C(=O)O)CC3)C2)cc1 20462821 QZSRDFKPJZNFEA-PMACEKPBSA-N 446.544 2.364 0 1 IEAF biogenic CC(=O)CCC[C@]1(C)CC[C@H](C(C)(C)O[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2OC(C)=O)CC1=O 38969359 SOAOBNOFEDCAOU-LNDIEKGFSA-N 442.549 2.315 0 1 IEAF biogenic CCS(=O)(=O)c1ccn([C@@H](CC2CCOCC2)C(=O)Nc2ccc(C)cn2)c(=O)c1 71281326 ZOHCYUHMSMYXBB-SFHVURJKSA-N 433.530 2.342 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C(=O)CN(C)C)CC31CN(CC2CCCC2)C1 95666714 APSMZKJGTNQCRH-OAQYLSRUSA-N 440.588 2.357 0 1 IEAF OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc4c(c3)CCCS4)c2)[C@H](O)[C@@H](O)[C@@H]1O 142340597 WNKQCMJGKHMMIF-VOFPXKNKSA-N 436.957 2.484 0 1 IEAF CN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)cn1 145244975 MXYCSZBFRAMFJN-UHFFFAOYSA-N 436.497 2.182 0 1 IEAF CN(C)C(=O)Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CC3)no2)cn1 150066266 VAAPYECJHQQRAS-UHFFFAOYSA-N 430.472 2.140 0 1 IEAF Cn1cnc(S(=O)(=O)N2CC3(C2)c2ccccc2C[C@H]2CN(c4ccccc4)CCN23)c1 962628796 DBBBACYTECRUIE-NRFANRHFSA-N 449.580 2.067 0 1 IEAF Nc1cncc(-c2cn3ccnc3c(=Nc3ccc(N4CCN(C5COC5)CC4)cc3)[nH]2)c1 1911586550 FHHOTRFQSOFYNC-UHFFFAOYSA-N 442.527 2.060 0 1 IEAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@H]4[C@H]3OC[C@H]4NCc3ccccn3)n2)cc1 2356311853 SUXMKFZIAUZZMS-ODAXIHTASA-N 432.528 2.341 0 1 IEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@@H]3COc4ccccc4O3)ccc21 4111234 FJSVDADZBYJQLJ-QGZVFWFLSA-N 428.510 2.494 0 3 IEAF COc1ccc(C)cc1NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1 9407305 BJJIMJASMHDVHM-UHFFFAOYSA-N 441.528 2.293 0 3 IEAF CCCNC(=O)c1cccc(CN2C(=O)N[C@@H](Cc3ccc4[nH]cc(CCN)c4c3)C2=O)c1 13603498 GNFRSCDEJGPQKY-QFIPXVFZSA-N 447.539 2.472 0 1 IEAF CCOC(=O)C[C@H](NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21)C(=O)OCC 40380558 IZIFVKYBHZRSNF-IRXDYDNUSA-N 426.469 2.208 0 1 IEAF O=C(NCC[C@@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 95905693 ALLIEMYEDHFUCC-FHWLQOOXSA-N 439.940 2.303 0 1 IEAF Cn1cnc2cc(-c3ccc(OC[C@@H]4CCCO4)cc3)nc(N3CC[C@H](CO)C3)c2c1=O 115619576 UROUUGDZYNYNFT-LPHOPBHVSA-N 436.512 2.372 0 1 IEAF COc1ccccc1NC(=O)CN(C)C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 140394702 UIUYQLLSTOVXCC-OAQYLSRUSA-N 431.443 2.023 0 1 IEAF CC(C)Oc1cc2c(-c3cc(N4CCN(S(C)(=O)=O)CC4)ncn3)n[nH]c2cc1F 221209861 OZKMPXDKKBAOIU-UHFFFAOYSA-N 434.497 2.028 0 1 IEAF C[C@H]1CN(C2CC2)C[C@@]12N[C@H](C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)Cc1ccccc12 963665705 IDQOUJSBERYRIV-QZNKDTKUSA-N 449.551 2.028 0 1 IEAF COc1ccc(-c2cc(C[C@@H]3CC[C@H](O)[C@H](CNC4CCN(C(C)=O)CC4)O3)no2)cc1 2356614433 UOMOYNOKVQBQAV-FIXSFTCYSA-N 443.544 2.402 0 1 IEAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@@H](C)C(=O)N4)C[C@H]2C)cc1 103692760 PYIDKOQMTVHMHX-CVEARBPZSA-N 442.541 2.421 0 3 IEAF O=C1N[C@H]2CCN(C(=O)N3CCOCC3)[C@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 25425560 XMQOZQCWGQDRHQ-VQTJNVASSA-N 436.468 2.430 0 1 IEAF biogenic COc1cc2c(cc1OC)[C@@H](c1ccc(F)cc1)N(C(=O)C(=O)N1CCOCC1)CC2 29124233 NZKGXPGDEXRMHS-OAQYLSRUSA-N 428.460 2.176 0 1 IEAF CN1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(N4C[C@@H]4c4ccccc4)c3c2F)CC1 29252840 HFMRDDBZZFHXBD-KUFXBUICSA-N 440.450 2.423 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3cc4c(Cl)cccc4s3)[C@H]2SC1 29551480 GONCKNRVLGIBFL-OGHNNQOOSA-N 437.930 2.313 0 1 IEAF COc1cnc2c(c1)CN(C(=O)[C@@]13CCC[C@@H]1C[C@@H](N[C@@H]1CCOC[C@@H]1OC)C3)CC2 95593998 PKLPRMWVWCKOGU-OPCLUDPOSA-N 429.561 2.317 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCc3ccc(F)cc3)[C@H]2N1CC 100140125 LOEDEPASPQELSH-GDJATURSSA-N 425.504 2.320 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(/O)OC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 101937137 YFQAWMHNJIJEKU-CGLHOLQTSA-N 442.468 2.461 0 1 IEAF COc1cc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 104025412 PUTXBXDVZAKHSJ-QGZVFWFLSA-N 427.457 2.324 0 1 IEAF CCN1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@H]2C[C@H]1[C@H]1OC(C)(C)O[C@H]12 254114857 KIWMQFVGCTUQCE-NEFGJREMSA-N 442.512 2.356 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCCc4[nH]nc(Nc5ccccc5)c43)N2C(=O)[C@@H]2CCCN12 963215463 AMPPDYYCJCLISH-LLJLJFOGSA-N 443.511 2.214 0 1 IEAF CC(C)CN1CC(=O)N(C)CCCCCCN[C@@H](Cc2ccccc2)C(=O)N[C@@H](C)C1=O 1911574281 ZWDWYVOUYFXWNW-UNMCSNQZSA-N 444.620 2.209 0 1 IEAF CO[C@]1(Cc2ccc3c(c2)OCO3)OC[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)OC[C@@]21O 2356644391 DOHWIZQQMDSAHJ-DRVJTKKISA-N 428.437 2.048 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C2=CC=C[CH]N2)CC1)Nc1ccsc1 2356827574 HZYAGPPIQLLIOQ-SVFBPWRDSA-N 441.625 2.360 0 1 IEAF Nc1ncc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)s1 28563254 UUCSHEAWLUFBGR-PZJWPPBQSA-N 449.580 2.492 0 1 IEAF O=C(NCCCN1CCCC1=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O 35998057 GXQOKLJRGLAGLA-UHFFFAOYSA-N 438.459 2.101 0 1 IEAF CCNC(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)c2ccccc12)C(=O)NCC 49053729 QIOHCCOMJHNRJD-MRXNPFEDSA-N 425.938 2.193 0 1 IEAF C[C@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82213273 RDIUJKUNNHBFNZ-LKUPVBHCSA-N 440.544 2.071 0 1 IEAF Cc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)[C@]4(CCOC4)C(=N)N3)c2)nc1 147258661 ZAVXGISTYWSYFZ-SFTDATJTSA-N 446.504 2.151 0 1 IEAF COc1cc2c(c(OC)c1)[C@@H]1[C@@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 169361625 FKCKHHUOKPWTNI-WFXMLNOXSA-N 435.480 2.171 0 1 IEAF CCOC(=O)c1ccc(-n2cc([C@](C)(O)CS(=O)(=O)c3ccc(F)cc3)nn2)cc1 299824765 WZISKUZCIRQXAU-HXUWFJFHSA-N 433.461 2.265 0 1 IEAF CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)CC[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962903177 VXXJLSOMSVLXIG-ROKPMTFOSA-N 440.471 2.232 0 1 IEAF CCOC(=O)[C@]1([C@H]2CN(Cc3ccccc3)CCC2=O)NCCc2c(C(=O)O)cccc21 963120371 GYTAOBJMTUUDKQ-OFVILXPXSA-N 436.508 2.380 0 1 IEAF CN1C[C@@H](NCc2nccn2C)CCC[C@@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356633219 QFLGFGUYXOLPLO-APWZRJJASA-N 433.503 2.122 0 1 IEAF CC(=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1)CC[C@@H](O)C(C)(C)O 2356680852 WRXFITZUJCADEK-HXUWFJFHSA-N 439.574 2.141 0 1 IEAF CC(=O)N[C@@H]1Cc2cn(c3ccccc23)C(=O)c2ccccc2NC(=O)[C@H]2CCCN2C1=O 2356717899 YFQDVXKEMBYFSU-IFMALSPDSA-N 444.491 2.320 0 1 IEAF Cc1ccc(C(=O)O)cc1NC(=O)[C@H]1CCCN1S(=O)(=O)c1cccc2nsnc12 8671678 HTJFNLPFRNMUPM-OAHLLOKOSA-N 446.510 2.490 0 3 IEAF CC(C)S(=O)(=O)N1CCN(c2cnn(-c3ccccc3)c(=O)c2OC2CCCC2)CC1 66073859 DQHLCDHTMHQORA-UHFFFAOYSA-N 446.573 2.414 0 1 IEAF CCOC(=O)C1=C(COCCN)N=C(C)[C@@H](C(=O)OC)[C@H]1c1cccc(-n2ccnc2)c1 79166826 NJPFIFPUZHOUBV-WOJBJXKFSA-N 440.500 2.012 0 1 IEAF COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c(OC)c1 82194909 JPRJAGITDSKZAT-YEWWUXTCSA-N 433.530 2.062 0 1 IEAF O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 95677158 UBYVOLAQIVZNTP-WDYCEAGBSA-N 434.443 2.096 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95854276 UUZQFXCTZXHTQI-YVHKJVDXSA-N 425.529 2.307 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884910 RGZNDINNLTYFNJ-CWBXHPNXSA-N 438.609 2.109 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 169367668 OLRJWQJNJDEKHM-CGYPGZLNSA-N 443.979 2.309 0 1 IEAF COCCN(C)c1cc(C(=O)O)nc2c(-c3ccc(O)cc3)nc(N3CCOCC3)nc12 169698797 ZIWZEHIOYVUVRQ-UHFFFAOYSA-N 439.472 2.015 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c1 222064801 JQRRTXWUYXPFEP-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF C[C@@H](NS(N)(=O)=O)c1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 1772649422 VSMPITHDNJHFPV-SNVBAGLBSA-N 429.483 2.431 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CN[C@@H]4CCC[C@H](C)C4)[C@H](O)[C@H]3O2)cc1 2356293171 DCWNLFIHGAMSMK-GBNMNYQASA-N 432.561 2.156 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)C[C@H]2OC(=CCCCC(=O)OC(CO)CO)C[C@H]12 2356340448 PAZIMHKUNWKSLH-WVCANSMHSA-N 426.550 2.220 0 1 IEAF CC(=O)O[C@@H]1[C@@H](O[C@]2(C)C=C[C@H](C(C)C)CCC(C)=CCC2)O[C@H](CO)[C@H](O)[C@H]1O 2356439111 FEPMKPCIGUXEGE-JGVOIYKNSA-N 426.550 2.481 0 1 IEAF COc1cc(C(=O)[C@H]2COC[C@@]2(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 2356745518 HKVASQZMEAEGTN-MWTRTKDXSA-N 430.453 2.492 0 1 IEAF COCC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCc3cccnc3)[C@H](O)[C@H]2[C@H]1C 2356874579 YXDGJKNDMTVMPB-NRCJDPMPSA-N 431.577 2.288 0 1 IEAF O=C1CC[C@@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 40392822 GAONTFIHHDQVLS-OAHLLOKOSA-N 431.539 2.262 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4nnc5ncccn45)nc3)c(F)c2)C(=O)O1 72180453 RJFCOZRRABYFFH-INIZCTEOSA-N 447.430 2.454 0 1 IEAF O=C(NCc1ccccc1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2cccc(F)c2)c3=O)[C@@H]1CO 95881638 VSJWYLDRVGFTPJ-JFJDKTSWSA-N 433.483 2.222 0 1 IEAF CN(Cc1ccc(Cl)cc1)c1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205033812 KURWMNSCCMVIOZ-NVNXTCNLSA-N 438.879 2.169 0 1 IEAF CN1CCN(c2ccc3nc(C[C@@H](NC(=O)OCc4ccccc4)C(=O)O)[nH]c3c2)CC1 587207101 QSPITAWQHCJNHZ-HXUWFJFHSA-N 437.500 2.237 0 1 IEAF COC(=O)c1cc([C@@]2(C(O)O)Oc3ccccc3C(=O)[C@H]2C(=O)c2ccco2)ccc1O 587593693 MTRRPJHXDURBAX-FDDCHVKYSA-N 438.388 2.052 0 1 IEAF C[C@H](Nc1nccc(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1nc(CCOc2ccccc2)no1 1772586698 DIDRDLJTUVCPRG-LZWOXQAQSA-N 440.460 2.360 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(C2=CC=C[CH]N2)CC1)Nc1ccsc1 2356827572 HZYAGPPIQLLIOQ-SBHAEUEKSA-N 441.625 2.360 0 1 IEAF Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)c1 61897967 DTQFOHAQCCGXSS-HXUWFJFHSA-N 440.443 2.451 0 3 IEAF O=C(NCc1ccccc1)c1cc([C@H]2COCCN2S(=O)(=O)c2ccccc2)on1 61929149 DYDQSNHHJQQAOJ-LJQANCHMSA-N 427.482 2.367 0 3 IEAF O=C(Cn1cnc2c(OCc3ccccc3)ncnc21)N1CCN(c2ccccn2)CC1 61947308 GNHCTFUMOXESLW-UHFFFAOYSA-N 429.484 2.149 0 3 IEAF CCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCCN23)cc1OC 103043278 WQPIBHGXOKKEPM-IDVKNYFZSA-N 432.542 2.491 0 3 IEAF Cc1nc(N)ccc1CNc1nc(Cl)c(C)n(CC(=O)Nc2cccc(CN)c2)c1=O 28391291 GHDHYMAKAWHTGL-UHFFFAOYSA-N 441.923 2.200 0 1 IEAF O=C(N[C@@H]1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)sc2[nH]1 28818313 YUYUULPQRYMAKE-OAHLLOKOSA-N 433.917 2.171 0 1 IEAF COC(=O)c1ccccc1C(=O)c1sc(Nc2ccc(S(N)(=O)=O)cc2)nc1N 96910086 NVCZLYKGUXMPFX-UHFFFAOYSA-N 432.483 2.134 0 1 IEAF Cn1cc(S(=O)(=O)NCCOc2cc([C@@H](CN)Cc3ccccc3)ccc2F)cn1 114259563 MJBGPNPKELCMGC-GOSISDBHSA-N 432.521 2.202 0 1 IEAF Cc1nc(N)nc2c1cc(-c1ccc(N(C)C)nc1)c(=O)n2[C@H]1CC[C@H](OCCO)CC1 116024774 KMYHNHSRXMFXAJ-CALCHBBNSA-N 438.532 2.303 0 1 IEAF CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@@H]1C 137294984 KBHPPKYRDDJVFM-YSZYPVJHSA-N 426.506 2.461 0 1 IEAF CC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](NC(=O)c1cc(Cc3ccccc3)on1)CO2 220875933 IIZWFTNGDCXXNB-IBGZPJMESA-N 434.452 2.378 0 1 IEAF C=CC(=O)NC/C=C/c1cc(OCCCN2CCOCC2)cc(O)c1C(=O)OC(C)C 299837930 PQTNJXIVUYLEBO-FNORWQNLSA-N 432.517 2.374 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@H](C)Cc1cc(Br)c(F)cc12 587844375 NNEXQOXEQOKBOC-PGQWDYDZSA-N 434.327 2.316 0 1 IEAF COc1ccc(C(=O)N2CCN(c3ccc4nc5[nH]c(=O)[nH]c5cc4c3)CC2)cc1OC 576640 GCOZQYPMZQWMGV-UHFFFAOYSA-N 433.468 2.384 0 1 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)N[C@@H](C)CO 4381829 ZOAMONKLMYFYBX-VDZJLULYSA-N 429.542 2.100 0 1 IEAF Cc1cc2nc([C@@H](O)[C@@H](CCc3ccccc3)NC[C@H](O)[C@H](N)CCCN)oc2cc1C 13587023 DUODFAOHEFJSJH-WOOVXOMTSA-N 440.588 2.496 0 1 IEAF O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1 49525768 CTDHTDSQJRNGSL-QHCPKHFHSA-N 443.507 2.296 0 1 IEAF CN(CCOCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)sc12)CCc1ccccc1 72176384 AJVZNDDUZGAVJT-FQEVSTJZSA-N 445.585 2.499 0 1 IEAF CN1CCN(CCCNC(=O)[C@H]2CCCN(C(=O)c3coc(-c4cccs4)n3)C2)CC1 82081421 VNTCZEHCZZMAMK-KRWDZBQOSA-N 445.589 2.009 0 1 IEAF NCC(=O)Nc1c2n(c(=O)n(Cc3ccc(Cl)c(Cl)c3)c1=O)[C@@H]1CCCC[C@H]1N2 82206029 KFAWMPXANKORHR-ZIAGYGMSSA-N 438.315 2.172 0 1 IEAF COC(=O)C[C@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 95892213 VTLFRCJBSOXUAU-SKDZVZGDSA-N 445.497 2.339 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@H]3c4ccccc4O[C@H]3C2=O)CC1 195218823 RNPHYHTVIULEDY-WQTXXOFMSA-N 436.512 2.260 0 1 IEAF Cc1c(Cl)cccc1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205038028 URASXWJJLDIUQH-CHHVJCJISA-N 438.879 2.453 0 1 IEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4[C@@H](C[C@@H](O2)[C@@H]4[C@@H]2C[C@H](C)C(=O)O2)[C@@H]3[C@@H]1C 263639039 YPHURJCNLMUQQJ-WKZOMLOTSA-N 431.485 2.241 0 1 IEAF C[C@@H](O)CN1CCN(C(=O)C[S@](=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1772588488 XFZKBBHTWUSNLK-JTBPQFFMSA-N 436.524 2.328 0 1 IEAF CC(=O)N[C@@H](C)C(=O)N1C[C@H](O)C[C@H]1C(=S)NCc1ccc(-c2scnc2C)cc1 1857757245 XGBXEQHIGHVMKO-VHSSKADRSA-N 446.598 2.022 0 1 IEAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@H](OC(=O)Nc4ccccc4)CO[C@@H]32)cc1 2356834305 KARBFEKLRGWTRF-UAFMIMERSA-N 436.472 2.362 0 1 IEAF CCCCc1nn(CC(=O)O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 1552279 RGLJSZWMSYPTER-UHFFFAOYSA-N 433.472 2.367 0 1 IEAF COC(=O)c1ccc(C(=O)OC)c(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c1 12533268 INTPYHLXHFYVGB-KCTCVGQSSA-N 445.468 2.073 0 1 IEAF COc1cc([C@@H](c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc(OC)c1OC 13461612 XQWLRAUXZRVNAY-SXGZJXTBSA-N 446.452 2.363 0 1 IEAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NCc5ccccn5)CO[C@@H]34)n2)cc1 25435447 SUXMKFZIAUZZMS-AFXVXQJMSA-N 432.528 2.341 0 1 IEAF biogenic COc1ccc2c(c1OC)[C@@](C)(c1ccc(S(=O)(=O)CC(N)=O)cc1)N(C)[C@@H](C)C2 962578139 XNRSYSCATVTXSZ-RCDICMHDSA-N 432.542 2.103 0 1 IEAF O=C(N[C@@H]1[C@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@H]1O)c1cc2ccccc2s1 2356286524 CJWKDAUDEUBYHZ-LFWOZUSOSA-N 439.537 2.141 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@@H](O)[C@@H]1CC=CCCCC(=O)OC(CO)CO 2356343420 OCYWGBZEVKVWBQ-FYZZASKESA-N 426.550 2.063 0 1 IEAF O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@@H]3CCCO3)c21 4758799 MUPKALMUGYSECX-AWEZNQCLSA-N 429.336 2.206 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2I)C[C@@H]2CC[C@H]1N2C 26272583 AWVUKTXSKOZAJP-PUPMMZHASA-N 429.254 2.472 0 1 IEAF O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@@H]1CO)c1ccc(F)cc1 95566743 JEWVOUSHTDFCPR-SLYNCCJLSA-N 425.464 2.208 0 1 IEAF COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@H](C)CN(CC1CC1)[C@H](C)CO2 95679783 FUIZAEPQMFWQLL-DRSNIGMVSA-N 447.576 2.488 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@@H](OC)[C@@H](C)CN(C(=O)COC)[C@@H](C)CO2 95680077 PYQSBCBLWVDVHP-TWOQFEAHSA-N 449.548 2.014 0 1 IEAF O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccc(F)cc2)[C@H](CO)O1)NCc1cccc(F)c1 95904718 DIBYFULSGUGGHN-AABGKKOBSA-N 431.439 2.477 0 1 IEAF Cc1nccc(Nc2cc(N[C@@H]3CCN(c4ccc(C#N)cn4)C[C@@H]3F)c(C(N)=O)cn2)n1 118684411 MINAXHKBUIPUJE-DLBZAZTESA-N 447.478 2.318 0 1 IEAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OC[C@@H]3CCCCO3)ccc1-2 143043245 FKTFVDHBAYCXFO-OALUTQOASA-N 428.485 2.209 0 1 IEAF COCCNc1cc(C(=O)O)nc2c(-c3ccc(F)cc3O)nc(N3CCOCC3)nc12 166455366 XDJNSPIMOCRAHP-UHFFFAOYSA-N 443.435 2.130 0 1 IEAF CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Br)cc2)C[C@H]1C(=O)NCC(=O)O 653757831 MXYWGBLBWFDGKB-KBPBESRZSA-N 443.294 2.407 0 1 IEAF C[C@]12CC[C@H]3[C@](C)(C1=CC[C@@H]2[C@@H]1COC(=O)C1)[C@H](O)[C@@H]1OC[C@]2(C)[C@@H](O)C[C@H](O)[C@@]3(C)[C@@H]12 2356785570 AJUWUSWLMUIOPG-TZTKYOPDSA-N 446.584 2.446 0 1 IEAF CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](C)C(=O)OC(C)(C)C)cc1 15952249 KHQQZWKRVATZHM-LBPRGKRZSA-N 430.461 2.299 0 3 IEAF Cc1cc(C=O)c2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 40412316 FWNFDRRUNXRBQW-FUJBLVTHSA-N 434.341 2.153 0 1 IEAF COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@H]3C[C@H]1O)O2 40434486 SDDDJXPNYQPJCG-NABVTUBYSA-N 446.496 2.187 0 1 IEAF COc1ccc(CN2CCN(C(=O)C[C@H](N)Cc3cc(F)c(F)cc3F)CC2=O)cc1 71332621 KNQGJTLFPWWGEW-MRXNPFEDSA-N 435.446 2.243 0 1 IEAF O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO 95905315 MJAFNQKPRSYMCV-IPMKNSEASA-N 447.511 2.299 0 1 IEAF NS(=O)(=O)c1ccc(NC(=S)NN=c2c3c([nH]c4ccccc24)CCCC3)cc1 1857559174 WJZURRJVYGWLGY-UHFFFAOYSA-N 427.555 2.496 0 1 IEAF CC(C)[C@@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2 19770705 BYYVYIJQZFEYFG-HXUWFJFHSA-N 428.562 2.131 0 1 IEAF CC(=O)N1C[C@@H](Oc2cccc(F)c2)C[C@@H]1C(=O)N1CCCN([C@H]2CCCCO2)CC1 84557225 LSMOITFZJHYQFT-BHDDXSALSA-N 433.524 2.255 0 1 IEAF CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@@H]1C[C@@](C(=O)NCC(N)=O)(C2)C3 100387794 XFHOFUPMDXTOPP-MCDBPFPCSA-N 447.963 2.410 0 1 IEAF CN1CCN(c2nc([C@H]3C(=O)NC(=O)[C@@H]3c3c[nH]c4ccccc34)c3ccccc3n2)CC1 103045044 QYMDWEPIJODSDN-RTWAWAEBSA-N 440.507 2.387 0 1 IEAF COc1ccc(CCN2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC 169306718 ALWWKNUGHAHFPQ-DNRBGDKYSA-N 448.519 2.345 0 1 IEAF Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCC1 169701776 ZKXYUGUUSWYXEM-UHFFFAOYSA-N 433.476 2.109 0 1 IEAF CC[C@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261117959 JBVSQYZVCXMFCI-UFYCRDLUSA-N 430.593 2.365 0 1 IEAF COC(=O)C(=O)C[C@@]1(c2ccc(N3CCOCC3)cc2)CC(=O)c2cc(C)cc(N)c2O1 587399628 LHBVHROSUCBWSM-XMMPIXPASA-N 438.480 2.407 0 1 IEAF COCCn1ccc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)n1 1772598103 VXUZLGFPTHMPDO-PZROIBLQSA-N 436.563 2.130 0 1 IEAF O=C1C=C2[C@@H]3[C@H]([C@@H]4C[C@@]2(O1)[C@H]1CCCCN41)[C@H]1[C@@H]3C2=CC(=O)O[C@@]23C[C@H]1N1CCCC[C@@H]13 2356550360 DVUJULGIOINVNJ-IWRZFMLASA-N 434.536 2.190 0 1 IEAF CO[C@@H]1C(C)=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]2(O)[C@@H]1C=CC[C@H](C)[C@@H](O)[C@H](C)O 2356839745 LXRTXCAMHFXNMG-GVKQBYOSSA-N 443.584 2.380 0 1 IEAF Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CC(=O)N4)CC2)c1 15943912 ROZYGMMGJJSSJI-UHFFFAOYSA-N 428.514 2.095 0 3 IEAF CC(C)C[C@H](NC(=O)COc1cccc(-c2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819214 LAWFAGGDPUZLKP-MZLICYQSSA-N 440.496 2.013 0 1 IEAF C=CCO[C@@H]1C[C@@H]2C(=O)N3CC[C@H](NC(=O)Nc4cccc(SC)c4)C[C@H]3C(=O)N2C1 33674707 HCLMUWQUZYRFNR-OGWHTMIXSA-N 444.557 2.075 0 1 IEAF biogenic CCNc1nc2c(c(-c3cc(F)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C 35902137 PXXXJKLIYAELBV-UHFFFAOYSA-N 436.285 2.091 0 1 IEAF COC[C@H]1CCCN1C(=O)c1c(F)cccc1OCC(=O)N[C@H](CO)Cc1ccccc1 49068845 RIGICJUQGLSFAV-RBUKOAKNSA-N 444.503 2.175 0 1 IEAF CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 143130526 ZIHNHIFXIXPRCQ-UHFFFAOYSA-N 448.487 2.036 0 1 IEAF COc1ccc([C@@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1 145926269 JLPLVKRLRGSRQO-WIWNTQSISA-N 434.460 2.061 0 1 IEAF C[C@](O)(c1nccs1)[C@H]1CCCN(c2nnnc3cc(N4CCOCC4)ccc23)C1 148309021 WETWEUPXIFEGHM-YCRPNKLZSA-N 426.546 2.442 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1 169697065 WPDISOIHGGRFRZ-KDURUIRLSA-N 428.577 2.119 0 1 IEAF CN(C)c1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4ccncc4o3)nc2)cn1 223401320 CPSGPICQUKOTKR-UHFFFAOYSA-N 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COC(=O)[C@H]1C[C@@]23C=CCN2CC[C@@]2(CC(=O)O)c4ccccc4N(CC(=O)O)[C@@]12CC3 2356692704 HWWDUSGDULMYSV-GMWXCSQMSA-N 440.496 2.030 0 1 IEAF CC(C)(C)NC(=O)CN(C(=O)C[S@](=O)CC(=O)Nc1ccc(F)cc1)c1ccccc1 4400686 KHIWRUDTNKRDAD-HKBQPEDESA-N 447.532 2.461 0 3 IEAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@H]1[C@H](O)O2)C=CC(C)(C)O4 14721553 RLRNZCCQKAWONC-XJUOHMSHSA-N 426.421 2.430 0 1 IEAF biogenic CCOC(=O)[C@H]1C[C@@H]1[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N 27413270 HMKMQVYWJCUWJS-ATZCPQFDSA-N 443.475 2.136 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4ccc(Cl)cc34)[C@H]2SC1 40434459 UZTZFVASHBYFNE-PBFPGSCMSA-N 437.930 2.313 0 1 IEAF COCCOc1ccc(Cc2cc([C@@H]3O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 45255275 ISUUGWMDLMATOX-LXHROKJGSA-N 438.904 2.083 0 1 IEAF O=C1O/C(=C\Cn2ncc(=O)[nH]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 72142589 GBOLDKQCLURSSJ-WQRHYEAKSA-N 433.420 2.018 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2 100065979 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IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@@H](C)O 82218379 PLBSIJJCQFWNPD-HHXXYDBFSA-N 429.542 2.100 0 1 IEAF CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@@H](CO)O2)nn1 95906801 IGZZKGWMEGNSAE-MBOZVWFJSA-N 431.493 2.080 0 1 IEAF COC(=O)[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)[C@@H](N)CC1CCCCC1 96937356 NCCDZFCZQKDXLV-OALUTQOASA-N 448.516 2.035 0 1 IEAF N#Cc1ccc2c(c1)CN(C(=O)Nc1ccc(S(=O)(=O)NC[C@H]3CCOC3)cc1)C2 167252966 BDKQVEJBDCVGOH-MRXNPFEDSA-N 426.498 2.421 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 168075092 RPHPHNVVDAHDDN-QTQLYOFPSA-N 429.561 2.053 0 1 IEAF COCC(=O)N[C@H]1C[C@@H]2C(=O)Nc3ccc(C=Cc4ccc(OC)cc4)cc3C(=O)N2C1 2356417720 KCVVWJQZPSOUQJ-LAUBAEHRSA-N 435.480 2.163 0 1 IEAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@H]2C(=O)NCCN2CCOCC2)cc1 769422 VMUNJBHXPJXQGS-PZJWPPBQSA-N 428.558 2.354 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@@H](C)O)c1 82218322 QXRXMVDUCZEQRF-PBEJRMEISA-N 442.512 2.001 0 1 IEAF CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)nc1 205108155 DVRVUYFWIYIBNY-UHFFFAOYSA-N 437.525 2.319 0 1 IEAF CN(C)C(=O)c1ccc2c(c1)[C@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962928798 SVQIMLICTVFCSC-RXVVDRJESA-N 444.576 2.339 0 1 IEAF CC[C@H](C)C(=O)OCC1=C2[C@H](C(CO)=C[C@H]2OC)[C@H](OC(=O)[C@@H](C)CC)O[C@@H]1OC 2356782485 FJKBHFZRINVAKA-DFTRBLGASA-N 426.506 2.354 0 1 IEAF COc1ccc(COCCN2CCN(S(=O)(=O)c3ccc(C)cc3)CCC2=O)cc1 8680063 PLTPHRYKGAOSQI-UHFFFAOYSA-N 432.542 2.443 0 3 IEAF CC[C@]1(C(=O)OC)[C@H]2C(=O)N(C)C(=O)[C@H]2[C@H]2CN=C(SCc3ccc(Cl)cc3)N21 61944634 NREPSKHLJBEXCQ-IGMJJTELSA-N 435.933 2.180 0 3 IEAF CC(C)C[C@H](N[C@H](CCN1C(=O)c2cc3ccccc3cc2C1=O)C(=O)O)C(=O)N(C)C 13734722 FICMSWGEHHLVLO-UXHICEINSA-N 439.512 2.372 0 1 IEAF CCCCCNC(=O)[C@H](N)Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1 26188035 IVGIJUNTVQKKSX-GOSISDBHSA-N 441.484 2.310 0 1 IEAF CS(=O)(=O)c1cccc(-c2ncnc(N3C[C@@H](N)[C@@H](c4cc(F)c(F)cc4F)C3)n2)c1 28899877 UNKYYGBTNCKVGW-RDTXWAMCSA-N 449.458 2.291 0 1 IEAF CC(=O)O[C@@H]1C/C(C)=C\[C@@H]2OC(=O)C(C)=C2C[C@H]2[C@](C)(O)[C@H](O)C=C[C@]2(C)[C@H]1OC(C)=O 38216916 YWDXFKMLCKVVHC-BHVCZMGFSA-N 448.512 2.136 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C 82166724 PMJKJQNGEBSNBR-NHCUHLMSSA-N 444.576 2.031 0 1 IEAF COCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(CC1CC1)[C@@H](C)CO2 95679767 FUIZAEPQMFWQLL-HOIFWPIMSA-N 447.576 2.488 0 1 IEAF O=S(=O)(c1cccc2cccnc12)N1CCN(Cc2cccc(OCCO)c2)CC1 95784149 DHANFFLEJINNRT-UHFFFAOYSA-N 427.526 2.112 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H]2CO 95795681 YTXOATAQUYUYJS-GIWBLDEGSA-N 432.455 2.094 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(OC)c4)c3=O)[C@@H]1N2CCC 95879341 CGJWJAQQQUOJRJ-LGKPFJOYSA-N 439.556 2.424 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3[C@@H]3C[C@H]23)cc1 195097966 UJISMJDOFFHTEW-YUNYCSSDSA-N 431.496 2.397 0 1 IEAF NS(=O)(=O)c1ccc(CCn2c(S)nc3cc(Br)ccc3c2=O)cc1 653834559 PXEPAVVOXLHKLC-UHFFFAOYSA-N 440.344 2.338 0 1 IEAF C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(c4cccc1c42)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963225935 WEXOSBVMJREOEC-IYYXKVFMSA-N 445.523 2.044 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](c3ccc(F)s3)C2)nc1 1772610042 UDULSVDSWQVTQH-OAHLLOKOSA-N 438.550 2.200 0 1 IEAF CC(C)NC(=O)N1CC[C@@H](CC(=O)O)[C@@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1 2356510000 KJTXEGFMXCILKP-FYQPLNBISA-N 444.576 2.188 0 1 IEAF O=C1[C@@H]2[C@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 169294976 YGAKRXYRDKCSCD-WIRSXHRWSA-N 444.896 2.132 0 3 IEAF CCCC[C@H](C)[C@@H]1CC(=O)N[C@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@H]([C@@H](C)CC)C(=O)O1 13375757 JKWZZKTWWYRYDZ-QTGPRJIVSA-N 439.597 2.305 0 1 IEAF biogenic N=C(N)c1ccc2[nH]c(C(=O)N3CCC[C@H]3C(=O)N[C@H](CC(=O)O)c3ccccc3)cc2c1 13776128 JSPYGRQPUPDEET-QUCCMNQESA-N 447.495 2.389 0 1 IEAF CCCO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(OCC)nc(N)nc43)[C@](C)(F)[C@@H]2O1 95575529 JNTCRUIACSNWCD-DSQUMVBZSA-N 431.361 2.383 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2ccc(NC(=O)c3ccncc3)cc2CC1=O 95772125 DDPBTFKHGDBZAF-JLHGSKIFSA-N 440.544 2.045 0 1 IEAF O=C(NC1Cc2ccccc2C1)[C@H]1[C@@H]2N[C@@H](Cn3c2ccc(-c2ccccc2)c3=O)[C@@H]1CO 95880594 QVVMVNURGFCPIW-ZCAIMPEWSA-N 441.531 2.050 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1ccncc1)c1ccccc1 95880985 GJWKGLTUVJKWGL-UUZKZGARSA-N 444.535 2.285 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@](O)(C(=O)[C@]65O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 100776827 YHVXQLPNJVSDTP-BVGGIIBSSA-N 430.541 2.263 0 1 IEAF endogenous,in-man CS(=O)(=O)CCCOc1cccc2c1cnn2-c1ccnc(N[C@H]2CC[C@H](O)CC2)n1 100910983 QTUUSRHXDAHSAU-IYBDPMFKSA-N 445.545 2.344 0 1 IEAF CNC(=O)[C@@H](NC(=O)c1ccc(Br)c(OC[C@@H]2CCCO2)n1)C(C)(C)C 207734852 HXRPRKYDBDQLFE-SMDDNHRTSA-N 428.327 2.292 0 1 IEAF CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@@H](C(=O)O)C2)CC1 261192351 ZPLKIQQTGHLXLQ-BZUAXINKSA-N 435.550 2.079 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1c(N3CCN(C)CC3)nc3ccc(C)cn3c1=O)O2 587395568 RMDPRUDHQCPQHM-IBGZPJMESA-N 433.512 2.352 0 1 IEAF CCOC(=O)[C@@]12CC[C@@](C(=O)OCC)(CC1=O)[C@]1(C2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441393 KEMZACNQGRBJKX-WQPYXDDYSA-N 442.464 2.437 0 1 IEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)O 587495155 ZUVKMGXDWYOGGW-FPOVZHCZSA-N 431.466 2.293 0 1 IEAF CCOC(=O)[C@@H]1C[C@H]2Cc3nc4nc(O)nc(O)c4cc3C[C@@H]2CN1C(=O)OC(C)(C)C 587558840 UNKSHDJJUBIDRZ-KFNAQCHYSA-N 444.488 2.340 0 1 IEAF COC(=O)[C@@H]1C[C@@H]1c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 587783802 AMPLDOPRUFHJSD-WOJBJXKFSA-N 448.523 2.257 0 1 IEAF COc1ccc(OC)c2c1C[C@H](C)N[C@@H]2c1c(N2CCOCC2)nc2ccccn2c1=O 963606587 IKFNFTXXPJOZDW-NYHFZMIOSA-N 436.512 2.172 0 1 IEAF CN1CCN(c2ccc(-c3ncc4c(=O)c(C(N)=O)cn(C5CCCC5)c4n3)cc2)CC1 1857600910 MRUOMIFYEMWUHE-UHFFFAOYSA-N 432.528 2.424 0 1 IEAF CC(C)CN(CO)C(=O)[C@H](Cc1ccc(OCCN(C)C)cc1)NC(=O)c1ccccc1 1857749488 NDCOLRPDEBSNTC-QHCPKHFHSA-N 441.572 2.403 0 1 IEAF CN1CCC2=C(NC(=O)CN3CCN(C(=O)c4ccccc4)CC3)c3ccccc3N[C]21 2356850752 YDGADFCLZINTSF-UHFFFAOYSA-N 430.532 2.222 0 1 IEAF COc1ccccc1N1CCN(C(=O)CCCCn2c(=O)[nH]c3ccsc3c2=O)CC1 4763734 VPBRNFBTKYESFR-UHFFFAOYSA-N 442.541 2.279 0 3 IEAF O=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCn1cc2c2cccnc21 13526865 BXLMONUQKMHQEF-UHFFFAOYSA-N 443.463 2.000 0 1 IEAF O=C(N[C@H]1CCN2C(=O)N(c3cccc4nsnc34)C(=O)[C@H]2C1)c1ccnc(Cl)c1 25180876 IOLWHFTWVFBXDQ-SMDDNHRTSA-N 442.888 2.469 0 1 IEAF biogenic O=C(N[C@@H]1CCN2C(=O)c3cc(Br)ccc3NC(=O)[C@H]2C1)c1ccncc1 25200768 JRUSVJALWBKODV-CZUORRHYSA-N 429.274 2.199 0 1 IEAF biogenic O=C(O)CCCNC(=O)[C@H]1[C@@H](O)CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]21 28525246 ILZUPWALMALDJM-CJWRLGHKSA-N 425.529 2.455 0 1 IEAF Cc1cc(Cc2ccc(F)c(C(=O)N3CCc4cccc5c4[C@@H]3CNC5=O)c2)n[nH]c1=O 95585168 PXDXGLIHYJKJSB-FQEVSTJZSA-N 432.455 2.291 0 1 IEAF O=C(Cc1ccccn1)N[C@@H]1CC[C@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO 95797215 PETJRAXOHATFKA-KCZVDYSFSA-N 439.491 2.137 0 1 IEAF O=C(Nc1ccc([C@H]2CNCCO2)cc1)c1cn(-c2ccc(Br)cn2)nn1 146976932 OKNNDDQYAYWGQC-MRXNPFEDSA-N 429.278 2.338 0 1 IEAF COc1c2n(c3ccccc13)[C@]1(O)C(=O)N(C)C(=O)[C@]1(O)c1c-2[nH]c2ccc(Cl)cc12 147242548 DHOZHQLTBYYIIG-YADHBBJMSA-N 437.839 2.297 0 1 IEAF in-vitro C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(OCc3cccc(F)c3)c12 169725266 JICPZNVNBKWGFO-DZHOKGPDSA-N 447.495 2.290 0 1 IEAF CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O 1857552488 CVBUIFHDZMEAIE-SFHVURJKSA-N 435.362 2.133 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@H](C(=O)C[C@H]3[C@@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C 2356688917 QXVLIRIYIXSOMI-IOVGIAQBSA-N 435.561 2.267 0 1 IEAF CN(C)S(=O)(=O)N1CCC(Oc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)CC1 12586121 JMQKYJOTSYKCSF-UHFFFAOYSA-N 443.569 2.233 0 3 IEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NCc2ccccn2)C(=O)[C@@]31C 15956177 OUWOGMXJWCPEKY-JBEBIEQOSA-N 447.495 2.312 0 1 IEAF biogenic CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CC[C@@H](O)CO)c4cc(F)ccc34)nc12 95602863 SRGSOSLNVCMQMS-CYBMUJFWSA-N 440.479 2.385 0 1 IEAF CN1C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H]2O[C@@H](CC(=O)NC3CCC3)CC[C@@H]21 95892056 UITKDQSVNNFDEJ-LMNJBCLMSA-N 441.528 2.475 0 1 IEAF CN1CCN(c2cc(F)c3c(c2)nc(Cc2ccc4c(c2)OCO4)n2nc(N)nc32)CC1 116236752 QUYGYUVUHYMMRW-UHFFFAOYSA-N 435.463 2.070 0 1 IEAF O=c1c2ccccc2nc(O)n1C[C@H]1CC[C@H](C(=O)N2CCN(c3cnccn3)CC2)CC1 299863134 OMHRGRYAAVZDJU-IYARVYRRSA-N 448.527 2.047 0 1 IEAF CCN(CC)c1ccc(-c2nn(-c3ccc(C(N)=O)nn3)c(=O)c3ccccc23)c(O)c1 587665065 KZFNSXOLAUEPPF-UHFFFAOYSA-N 430.468 2.493 0 1 IEAF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCNC[C@@H]1C 1857648011 UWPZYKOVHNLVSD-KRWDZBQOSA-N 446.621 2.249 0 1 IEAF COc1ccc(S(=O)(=O)NCCCN=c2nc(-n3ccc4cccnc43)cc[nH]2)cc1 1911579138 JRFQPMRBXSLZIV-UHFFFAOYSA-N 438.513 2.027 0 1 IEAF CC(=O)O[C@@H]1[C@H](OC(=O)c2ccccc2)[C@H]2C[C@@]3(OC2(C)C)[C@H](C)CC[C@@H](O)[C@]13CO 2356353957 DTMIMKTZETWDJV-OQBQGEOFSA-N 432.513 2.481 0 1 IEAF C[C@]1(O)CCN(C(=O)N2CCOCC2)[C@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356515515 RJZLCJJZIAJSBP-KNKQGSTJSA-N 429.542 2.497 0 1 IEAF C[C@H](C(=O)NCc1ccccn1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@@H]2[C@H]1O 2356860128 UCBAQLIELUYKDX-VOWYCPPTSA-N 437.606 2.075 0 1 IEAF OC[C@H]1O[C@@H](n2cnc3c(SCc4ccc(Cl)c(Cl)c4)ncnc32)[C@H](O)[C@@H]1O 13560346 KHXFQZSRCZLJQI-LSCFUAHRSA-N 443.312 2.037 0 1 IEAF CCNC(=O)Nc1cn2c(-c3ncc(S(C)(=O)=O)cn3)cc(-c3cccnc3)cc2n1 45254954 DXKASNXPOCRCMH-UHFFFAOYSA-N 437.485 2.398 0 1 IEAF O=C(NCc1cc(F)cc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O 73138808 JZKDDDMAINETJS-UHFFFAOYSA-N 448.451 2.474 0 1 IEAF Cc1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)c(F)c1 84654327 AATINBWSCNRUAW-WMZOPIPTSA-N 434.537 2.372 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(Cc2nccs2)C1 95867403 SVKBGUCTTNAHKT-SFHVURJKSA-N 426.542 2.293 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cccc(F)c4Cl)nc23)N1 205045907 NAZPIYOSJOLXQT-MLPAPPSSSA-N 442.842 2.284 0 1 IEAF Cc1c([C@@H](O)CN2C[C@H]3CN(C(=O)c4ccc(C#N)cn4)CC[C@H]3C2)ccc2c1COC2=O 205489586 CLNGILJCXMENOY-BSRJHKFKSA-N 446.507 2.060 0 1 IEAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)C/C=C/[C@@H](N)CC(C)C)C(C)C 28765015 FRXPCCQAULDMDT-LBUIRZMLSA-N 431.577 2.347 0 1 IEAF COc1cc2ncccc2cc1NC(=O)c1csc2cnc(NC[C@@H](O)CO)nc12 113652868 BKDJJDIXKRUBLT-GFCCVEGCSA-N 425.470 2.266 0 1 IEAF C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc(=O)c2cnc(C3CCOCC3)n2[nH]1 205436466 OMZYWFZESJTRNA-YJBOKZPZSA-N 445.527 2.490 0 1 IEAF COC(=O)C1=CO[C@@H](OC(C)=O)[C@H]2[C@@H]1[C@H]1[C@@H](CC[C@@]2(COC(C)=O)OC(C)=O)C1(C)C 238745239 YGOZDGLVNDTREI-QAGZSCEOSA-N 438.473 2.126 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587844376 NNEXQOXEQOKBOC-SIMVJXQJSA-N 434.327 2.316 0 1 IEAF C=CC(=O)N(CCOCCO)[C@@H](C(=O)NC(C)(C)C)c1ccccc1Br 1772597651 ZPQXWICKUACBBM-QGZVFWFLSA-N 427.339 2.428 0 1 IEAF O=C(NCC1(COc2ccc(C(F)(F)F)cn2)C[C@H](O)[C@@H](O)C1)Nc1cccnc1 2356726698 SSHODYPIEFWUPH-GJZGRUSLSA-N 426.395 2.198 0 1 IEAF CCCSc1ccc([C@@H]2[C@@H]3C(=O)N(C)C(=O)[C@@H]3[C@]3(C(=O)OC)CCCN23)cc1OC 102645889 JMWPKHMIQBOCMZ-IDVKNYFZSA-N 432.542 2.491 0 3 IEAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@@H]1C(=O)NCCOCCO 4039581 OGNMBBIWMZRJFE-GMAHTHKFSA-N 441.528 2.368 0 1 IEAF Nc1nc2c(cnn2CCCc2ccc(S(=O)(=O)O)cc2)c2nc(-c3ccco3)nn12 13471753 QTZKVEDESUEFBV-UHFFFAOYSA-N 439.457 2.196 0 1 IEAF CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCc1ccccc1)c(=O)n2C 28825088 PKKUANXEDPALTC-LJQANCHMSA-N 436.560 2.033 0 1 IEAF COc1ccc([C@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1OC 58506694 VJJIIVKKJPANJF-SFHVURJKSA-N 441.484 2.358 0 1 IEAF O=C(NCc1ccc(F)cc1)c1nc2c3ccc(N4CCOCC4)cc3on2c(=O)c1O 64548930 NPBGLLZHVMYZEW-UHFFFAOYSA-N 438.415 2.052 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 95881282 LSVYSAUWIYPTMR-HVJHZFLKSA-N 440.471 2.118 0 1 IEAF NC(=O)c1cnc2c(C(=O)Nc3cc(Cl)ccc3OC3CCC(O)CC3)cnn2c1 166828121 HJPCIYPEMPYOJT-UHFFFAOYSA-N 429.864 2.416 0 1 IEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2[Si](C)(C)C 195259120 PKUUECOVJZCINV-QHCPKHFHSA-N 436.540 2.330 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc(Br)cnc3[nH]2)[C@@H](C)O)cc1 586938706 QRSBQGAGKJJNOH-YMTOWFKASA-N 441.307 2.129 0 1 IEAF CCOC(=O)C[C@@]1(CN2C(=O)c3ccccc3C2=O)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587437584 JYBSFIFOBMWDRO-OSPHWJPCSA-N 435.432 2.431 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3[nH]c(-c4ccnc(C5CC5)n4)nc3n2)C1)N1CCC[C@@H]1CO 1772627704 GHJALUXENUHYBX-IAGOWNOFSA-N 447.543 2.492 0 1 IEAF O=C(NCCCCc1ccccc1)n1c(=O)oc2cc(N3CCS(=O)(=O)CC3)ccc21 1857610848 GXAFOFRHJZIMDQ-UHFFFAOYSA-N 443.525 2.410 0 1 IEAF Cc1ccc(CNC(=O)[C@@H](NC(=O)C2CCN(C(=O)[C@H](N)CC(C)C)CC2)C(C)C)cc1 15958286 YWWGOYDNOAIZDC-YADHBBJMSA-N 444.620 2.364 0 1 IEAF biogenic Nc1nc(-c2cccc(I)c2)c(I)c(=O)[nH]1 29552872 VUPUOZQDFCHWCM-UHFFFAOYSA-N 438.994 2.228 0 1 IEAF COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(CC(C)C)C3=N1 36381557 CSLNUURQFOEPKF-CVDCTZTESA-N 425.485 2.033 0 1 IEAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085255 UFDZQKICUMHFGM-RDJZCZTQSA-N 427.530 2.276 0 1 IEAF COc1cc2nc(N3CCSCC3)nc(NCCCN3CCOCC3)c2cc1OC 82119645 FIMHCIVOEHHRHZ-UHFFFAOYSA-N 433.578 2.334 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@H]2[C@@H](CO)O1 95599179 YCXJMJHOMLCSIN-NOOBJOLFSA-N 439.512 2.174 0 1 IEAF O=C(CC1CC1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2S(=O)(=O)Cc1ccccc1 95796308 SUOVTYHBPNANGR-FYYLOGMGSA-N 440.565 2.358 0 1 IEAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886513 USTKRYYMXKIIKC-NMLBUPMWSA-N 435.496 2.026 0 1 IEAF CCN1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 101645444 KIWMQFVGCTUQCE-PSPVMRODSA-N 442.512 2.356 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccc3F)cnc2N)c1N1CC[C@H](N)[C@@H](F)CC1 169699307 AILISLXEICJHGJ-GJZGRUSLSA-N 442.474 2.116 0 1 IEAF NC(=O)n1cc(NC(=O)N2[C@H](C(=O)NCc3ncccc3F)C[C@@H]3C[C@H]32)c2ccccc21 205051387 RIRCXRMAXVQHDU-RQUSPXKASA-N 436.447 2.413 0 1 IEAF COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@H]2c1cc(OC)c(OC)c(OC)c1 299829159 TZIPAQBRULNFOF-FQEVSTJZSA-N 427.453 2.476 0 1 IEAF CCOC(=O)C1=C(N)Oc2cc(O)ccc2[C@H]1c1ccc(OCCN2CCOCC2)cc1 1911582018 WYRRSMDDEYVOMD-OAQYLSRUSA-N 440.496 2.361 0 1 IEAF COc1cc(NCCCCCCN2CCN(C[C@H](O)CO)CC2)c2nccc(C)c2c1 29561653 RCWWOIHWGAYRIX-FQEVSTJZSA-N 430.593 2.495 0 1 IEAF O=C(Nc1ccc2c(c1)OCO2)N1CCN2C(=O)N([C@H]3C[C@@H]3c3ccccc3)C(=O)[C@@H]2C1 72175523 QVWWEXYKGZCQPQ-SQNIBIBYSA-N 434.452 2.452 0 1 IEAF O=C(NCCCN1CCCC1)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085289 GVQMGPSCQXOVHW-SFHVURJKSA-N 440.500 2.277 0 1 IEAF CC(=O)c1ccc(NC(=O)C(=O)N[C@H](c2nc(C)c(CO)s2)[C@H]2CCCCN2)cc1 84757975 FYJFOVBOYOJLHL-AEFFLSMTSA-N 430.530 2.085 0 1 IEAF C[C@@H]1CC[C@@H]2[C@H](C=C[C@@H](C)[C@H]2C(=O)c2c(O)c([C@@]3(O)CCC(=O)C[C@@H]3O)c[nH]c2=O)C1 95586133 JBHMFFSKSHTICZ-QEGOBNKNSA-N 429.513 2.439 0 1 IEAF O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@H]2C1 95874703 YYRMYXBGXGANGU-RGSZASNESA-N 449.595 2.437 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@H]2N1C(=O)C1CCC1 95881465 YQHVQTZYSLOMSV-RMVXJAJNSA-N 440.471 2.118 0 1 IEAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@H](N4CCNC(=O)C4)CC3)cc12 114710999 IBESFDAQKAOXNU-IYBDPMFKSA-N 445.589 2.231 0 1 IEAF CC(=O)Nc1cccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 299887752 ZIXZRLNDMOKNMP-LMMKCTJWSA-N 430.530 2.003 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 587751371 YCAPRVKEWUWOQR-OFMJAFOWSA-N 438.297 2.456 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@H](CNS(=O)(=O)C(C)C)C=C2C)CC1 2356813117 CDPBRCUDUTVAOQ-PCCBWWKXSA-N 441.638 2.250 0 1 IEAF Cc1ccc2[nH]c(=O)c(CN(CCCO)S(=O)(=O)c3cccc4nsnc34)cc2c1 8586262 BVCRZNLXZGBPFJ-UHFFFAOYSA-N 444.538 2.415 0 3 IEAF O=C(NCc1cccnc1)c1ccc2c(=O)n(CCCN3CCCC3=O)c(S)nc2c1 2970731 WWAZLOFTSFURJF-UHFFFAOYSA-N 437.525 2.023 0 1 IEAF CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC)Oc1ccccc1 27098347 RWWIHPQCCCEIPW-IPMKNSEASA-N 434.533 2.402 0 1 IEAF CC(C)(C)c1ccc(SCc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 29058425 AWCKLGLEXOPXCW-DLVXIWMQSA-N 430.530 2.028 0 1 IEAF Cn1cc(Br)c(C(=O)N2CCN(CC(=O)c3ccc(F)cc3F)CC2)n1 58580944 ZDLXLRYZJLTEER-UHFFFAOYSA-N 427.249 2.102 0 1 IEAF CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(CCC)cc(=O)[nH]1 95573372 SEVIGHWTYKZPQX-UHFFFAOYSA-N 434.562 2.114 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]2N1Cc1ccncc1 95881750 SOHXSUHWQBDTJV-LBVMUVSTSA-N 449.482 2.386 0 1 IEAF CC(C)(Oc1ccc(Cl)cc1)C(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)NCC(N)=O)(C3)C2 101438322 XFHOFUPMDXTOPP-PIMQHPCXSA-N 447.963 2.410 0 1 IEAF COC1CCC2(CC1)Cc1ccc(Br)cc1[C@@]21N=C(N)N([C@H](C)CO)C1=O 169700481 VLXKYDUKBZSTNJ-MQNSDEGZSA-N 436.350 2.314 0 1 IEAF CN1CCN(c2nccn3c(-c4ccnc(N[C@H](CN)c5ccsc5)n4)cnc23)CC1 169701257 XPCUPTAYHXVSFT-QGZVFWFLSA-N 435.561 2.112 0 1 IEAF CN(C)[C@H](Cn1c(O)c(CC(=O)O)c(CC(=O)O)c1O)c1cccc(Br)c1 587941101 RLBVVQOBQBJRBK-CQSZACIVSA-N 441.278 2.219 0 1 IEAF O=C1c2c[nH]c3nccc-3c2N([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)CN1C1CC1 1772585308 UHVSRUPRBACTSR-WKILWMFISA-N 443.573 2.491 0 1 IEAF C[C@H](Nc1nc(N)nc(N)c1Cl)c1nc2c(F)cc(F)cc2c(=O)n1-c1cc[nH]n1 1772619995 VLHZKFAKZCIKCG-LURJTMIESA-N 433.810 2.168 0 1 IEAF COC(=O)[C@@H]1C[C@H]2C=C(c3cn(B(O)O)c4ccccc34)[C@H]1N(Cc1ccccc1)C2=O 2356727381 MUGWTOBSYWKZSC-ZWDAVXSWSA-N 430.269 2.062 0 1 IEAF CCCCN1CC(=O)N2[C@H]3c4ccc(OC)cc4OC[C@@H]3[C@H](C(=O)OCC)[C@]2(C)C1=O 36389002 KPBGYNZWALYXDU-LOODEUFTSA-N 430.501 2.167 0 3 IEAF CC1(C)OC(=O)C=C[C@@]2(C)[C@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C(=O)O)OC(=O)[C@H]3O[C@]321 36389505 CJABBYCIRXVXNT-RBHMJGPYSA-N 432.469 2.044 0 3 IEAF COC[C@@H]1CCCN(C2CCN(c3ccc(C(=O)NCCN4CCOCC4)cc3)CC2)C1 15001960 WNBXGWLGSPFFSU-OAQYLSRUSA-N 444.620 2.076 0 1 IEAF COC(=O)/C=C/C(=O)N[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 25994216 ZHBOGKMSNKELPI-KLEAHKDUSA-N 438.524 2.055 0 1 IEAF Cc1ccccc1OC[C@H](O)CNCCC(=O)Nc1ccc(C2=NNC(=O)C[C@@H]2C)cc1 27100075 MKSAJBJQAOHVDL-FXAWDEMLSA-N 438.528 2.213 0 1 IEAF COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccncc1 72114237 SVADSLOMEJRPCN-VXKWHMMOSA-N 431.492 2.323 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)[C@@H]2N1Cc1ccccn1 95884505 ARIBYWLZPORNAU-HICMYGMISA-N 448.567 2.453 0 1 IEAF CCN(CC)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 220212223 DGKCTHOSOSDAJB-SFHVURJKSA-N 427.501 2.271 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 257424788 GGQLLLSSCCXUBL-SJUNZOOLSA-N 432.513 2.333 0 1 IEAF endogenous,in-man CNC(=O)[C@H]1C[C@@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587234900 JVJSZKWQRIBEIK-PMACEKPBSA-N 446.555 2.412 0 1 IEAF CCN1CN([C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2c(c[nH]c3nccc2-3)C1=O 1772655576 POTWAFMZFHTUHB-SHTZXODSSA-N 431.562 2.395 0 1 IEAF CN(C)c1ccc(NC2=N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)NCc4ccccc4)[C@H]3S2)cc1 2356870412 XQWWEWRMGDIVAT-PFAUGDHASA-N 440.569 2.063 0 1 IEAF Cc1nn(C)c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)NCCc2ccc(Cl)cc2)C1 6577151 YVTWJDYSFXLGRG-QGZVFWFLSA-N 438.981 2.450 0 3 IEAF COC(=O)Nc1nc2cc([S@](=O)c3ccccc3)ccc2n1COP(=O)(O)O 29134851 LPHSMCDSQGYWPZ-NDEPHWFRSA-N 425.359 2.448 0 1 IEAF CC(C)C[C@H](O[P@](=O)(O)[C@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 58562353 HXDXVKHKXNKZKA-FMKPAKJESA-N 444.421 2.465 0 1 IEAF COc1cc(Nc2nc(N)n(-c3cccc(N4CCOCC4)c3)n2)cc(OC)c1OC 72127510 UWGSOGYVRQSZJA-UHFFFAOYSA-N 426.477 2.456 0 1 IEAF O=C(NCCOc1ccccc1)[C@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 82193593 KZUHZOGYXUXEEW-FYYLOGMGSA-N 446.507 2.472 0 1 IEAF O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc(OCCF)c3)nc(Cl)nc21 84615058 QMVAKIBTMMUKAS-CNLQAYEWSA-N 433.871 2.353 0 1 IEAF CCCN(C)C[C@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@H]1C 95730008 VOHJMOFYJWWAOA-LLGFUMIMSA-N 448.589 2.254 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884911 RGZNDINNLTYFNJ-WZYRSQIMSA-N 438.609 2.109 0 1 IEAF CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 169309143 RPHPHNVVDAHDDN-LJRQGQEFSA-N 429.561 2.053 0 1 IEAF Cc1c(-c2cccc(C(=O)NCCN3CCOCC3)c2)c(=O)oc2c(C=O)c(O)ccc12 221057973 DGLZMZBIIDXXPD-UHFFFAOYSA-N 436.464 2.349 0 1 IEAF Clc1ncnc2c1ncn2CCCn1cc(Cn2cnc3c(Cl)ncnc32)nn1 473114978 QBDWPOKAQRJULE-UHFFFAOYSA-N 430.263 2.003 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c1O[C@@H]1[C@H](O)[C@]2(O)CC[C@H]1O 2356723716 RXANZDKSACWYJQ-GJZYGVHESA-N 429.513 2.309 0 1 IEAF CC=C1CN2[C@H]3C[C@H]1[C@]1(C(=O)OC)[C@H]2C[C@@]2(c4ccc(OC)cc4N(C)[C@@H]32)[C@H]1OC(C)=O 2356782104 CSHQJCAFJIVSSZ-VJKGJQNUSA-N 438.524 2.279 0 1 IEAF COc1ccc2[nH]c3c(c2c1)CCN(CC(=O)N[C@@H](C(=O)C(F)(F)F)C(C)C)C3=O 13740123 QMDOSKPZTDHPNS-MRXNPFEDSA-N 425.407 2.447 0 1 IEAF O=C(O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(-c2nnn(-c3ccccc3)n2)cc1 13778449 VTULZRYBMWMKHT-HXUWFJFHSA-N 449.492 2.304 0 1 IEAF COc1cccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]ncc4c3)c2=O)c1 13818798 DZUJSVCIXKMKNL-UHFFFAOYSA-N 446.511 2.408 0 1 IEAF CC(C)[C@H](NS(C)(=O)=O)c1nnc2n1CCN(Cc1ccnc3ccccc13)CC2 19770706 BYYVYIJQZFEYFG-FQEVSTJZSA-N 428.562 2.131 0 1 IEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)[C@@H](OCCF)c2cc3cc(O)ccc3nc2-1 27196972 QLEZHNBHUZIVIJ-UNMCSNQZSA-N 426.400 2.270 0 1 IEAF C=CCNc1nc2c(s1)C[C@H]1[C@](C)(CC[C@@H](O)[C@@]1(C)CO)[C@@H]2CC(=O)N1CCOCC1 43553676 CPMVZZASGVQOHW-CXXPOSQYSA-N 449.617 2.405 0 1 IEAF biogenic Cc1ccc(S(=O)(=O)N2C[C@@H](N=[N+]=[N-])C[C@H]2C(=O)N[C@H](C=O)Cc2ccccc2)cc1 58491975 MJCWWRJKJMHIET-BJLQDIEVSA-N 441.513 2.363 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1C(=O)C1CCCC1 95879122 SUSRSSRUFYNBEJ-MMKMLUHNSA-N 426.513 2.269 0 1 IEAF CCN1C[C@@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@@H]2C[C@@H]1[C@H]1OC(C)(C)O[C@H]21 101645448 KIWMQFVGCTUQCE-QQUIOGEISA-N 442.512 2.356 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ccc(S(=O)(=O)c4ccccc4)cc32)CCN1 205477195 AIYJHHOPPCISDS-QGZVFWFLSA-N 427.570 2.437 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc(CC5OCCO5)[nH]c4c3)cc2)CC1 586907479 GSKKTKYYGVYDKY-UHFFFAOYSA-N 435.528 2.478 0 1 IEAF CCC12CNCC(CC)(CNC1)C21N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962642952 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1 IEAF OC[C@H]1O[C@@H](n2c(NC3CC3)nc3cc4cc(Cl)c(Cl)cc4nc32)[C@H](O)[C@@H]1O 32138684 XGEKJWPXRVYLHW-KCYZZUKISA-N 425.272 2.077 0 1 IEAF COCCCNC(=O)c1cnc(NCCCOC)nc1-c1cc(OC)c(OC)c(OC)c1 82143175 JEZKRERLLJAOJJ-UHFFFAOYSA-N 448.520 2.384 0 1 IEAF O=C1[C@H]2[C@H]3CC[C@@H]([C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1)[C@@H]1C[C@@H]31 195180580 OLRJWQJNJDEKHM-QANIOEDFSA-N 443.979 2.309 0 1 IEAF COc1cc(/C=C/C(=O)NCCCNC(=O)/C=C/c2ccc(O)c(OC)c2)ccc1O 220996749 NAFKKKRRQQLUKR-JMQWPVDRSA-N 426.469 2.464 0 1 IEAF Nc1ncc(-c2cc(N3C[C@H]4CN(C5COC5)[C@H]4C3)nc(C3CC3)n2)cc1OC(F)F 653678249 GUEHDMRTCRFZTF-BBRMVZONSA-N 430.459 2.119 0 1 IEAF COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)[C@H]1[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@H]2[C@H]1C3=O 1772640783 ZEZJMOLCGJZADV-KXSOKIJJSA-N 430.453 2.472 0 1 IEAF N=c1nc(O)c2c(Cc3ccc(C(=O)Nc4cc(CO)ccc4C(=O)O)cc3)c[nH]c2[nH]1 1857539147 SEMBDLPSOKFHJE-UHFFFAOYSA-N 433.424 2.110 0 1 IEAF C[C@@]1(c2ccc(CS(C)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc(F)cc2F)C1=O 1857556996 FNOLSCDKJXPVEM-FQEVSTJZSA-N 436.436 2.159 0 1 IEAF CN(C)[C]1C=CC(c2noc([C@@H]3CCCN3Cc3ccc(S(C)(=O)=O)cc3)n2)=CN1 2356319893 PUXLKXSTGJCDOB-SFHVURJKSA-N 428.538 2.362 0 1 IEAF CCCC(=O)N[C@H](Cc1ccc(O)cc1)[C@H](O)NCCCNCCCCCCCCN 27651498 JTDSKKPKSNZTHK-VWNXMTODSA-N 436.641 2.407 0 1 IEAF Nc1nc2c(ncn2CCN2CCN(c3ccccc3)CC2)c2nc(-c3ccco3)nn12 28877483 QHNCBTPYZDQNIK-UHFFFAOYSA-N 429.488 2.138 0 1 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 40498113 VCEDGOPEEROYHX-AKIWMPFBSA-N 436.501 2.374 0 1 IEAF O=C(NCC[C@@H]1CC[C@@H](NC(=O)C2CCOCC2)[C@@H](CO)O1)Nc1ccc(Cl)cc1 95905698 ALLIEMYEDHFUCC-IPMKNSEASA-N 439.940 2.303 0 1 IEAF C#CCN(Cc1ccccc1[N+](=O)[O-])C[C@@](O)(Cn1cncn1)c1ccc(F)cc1F 142521267 OHAMWIVAXOUOHC-OAQYLSRUSA-N 427.411 2.488 0 1 IEAF O=C(N[C@@H]1CCOC1)c1ccc(F)c(Nc2ncnc3cnc(N[C@H]4CCOC4)nc23)c1 148269154 GDAJGNABZPYVMZ-KGLIPLIRSA-N 439.451 2.022 0 1 IEAF O=C(NCCCn1ccnc1)[C@@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)NCCCCN1CCCC1)C21CC1 168409599 BRZHMVLMHSIEMY-CIAFKFPVSA-N 439.604 2.210 0 1 IEAF C[C@@H](N)C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1 223231812 GPDRDNWHAYFRDI-CJNGLKHVSA-N 447.478 2.383 0 1 IEAF Cn1nc(NCC(=O)NC2CN([C@H]3CC[C@@H](CO)CC3)C2)c2cc(C(F)(F)F)ccc21 253805303 LDEUNNVWDAAUOC-AKAXFMLLSA-N 439.482 2.356 0 1 IEAF O=C(c1ccc2nc(C[C@@H]3OCCc4ccsc43)[nH]c2c1)N1CCN(CCO)CC1 587034449 GBINOSOQPWCDPR-IBGZPJMESA-N 426.542 2.231 0 1 IEAF CNC(=O)[C@@H]1C[C@H]1c1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587234910 JVJSZKWQRIBEIK-WOJBJXKFSA-N 446.555 2.412 0 1 IEAF COc1ccc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Br 963224241 RRCAOFHMTRINJB-GRDNDAEWSA-N 431.290 2.028 0 1 IEAF CN1Cc2ccc(Cl)cc2[C@@H](c2cccc(S(=O)(=O)NCCP(=O)(O)O)c2)C1 1772599354 RPIMNEYMWDFWIC-GOSISDBHSA-N 444.877 2.373 0 1 IEAF NS(=O)(=O)N1CCC[C@H](c2csc(-c3ccccc3NC(=O)c3ncc[nH]3)n2)C1 1772636936 LTTAFJLOSSWWDG-LBPRGKRZSA-N 432.531 2.168 0 1 IEAF COc1c(Br)cc(C=C(OS(=O)(=O)O)C(=O)O)cc1Br 2356858404 SZUCHDKGFGLHJX-UHFFFAOYSA-N 432.042 2.465 0 1 IEAF O=S1(=O)C[C@@H](N2CCCCC2)CN1Cc1cn(Cc2cccc(C(F)(F)F)c2)nn1 96020791 QXYMLFPGXNPEJB-SFHVURJKSA-N 443.495 2.345 0 3 IEAF O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccc(Cl)cc1 3989200 OSNAJFJFYBDJTI-SFHVURJKSA-N 429.860 2.458 0 1 IEAF Nc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)c2nc3c(=O)nc(S)[nH]c3[nH]2)cc1 5545766 GUUQPBLJSNNXBS-QPEQYQDCSA-N 448.464 2.174 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(c1ccccc1)c1ccccc1)C(C)C 64481159 XEZCUQUBJIJZQY-WFXMLNOXSA-N 438.572 2.146 0 1 IEAF O=C1CC[C@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)c2ccccc2C1=S 72177027 XKXKXCGYZKKZOQ-KRWDZBQOSA-N 435.530 2.484 0 1 IEAF C/C=C/c1ccc([C@@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 95794369 MNLCFTZBMCNRAP-JAEHEIJGSA-N 432.524 2.491 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1Cc1ccccn1 95879528 XKULSDMFLIKJPM-RLBLXZPPSA-N 449.482 2.386 0 1 IEAF O=C(Nc1ccc(F)cc1)N[C@@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO 95905313 MJAFNQKPRSYMCV-QRVBRYPASA-N 447.511 2.299 0 1 IEAF CN(C)C(=O)CNc1ncc(C(=O)NC2[C@H]3CC4C[C@H]2CC(O)(C4)C3)c(C2CCCC2)n1 101585085 LXCOLPFHGLYORA-SAOICPEJSA-N 441.576 2.304 0 1 IEAF Cc1ccccc1N1C(=O)[C@@H]2C=C[C@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C[C@H]2C1=O 105507450 SWDCMYLXRQXNGE-IPMKNSEASA-N 430.464 2.002 0 1 IEAF COC(=O)[C@]1(c2nc(N)sc2Br)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587452589 RKOXTLXBLOKWFN-BCTVWOGZSA-N 425.260 2.312 0 1 IEAF COC(=O)[C@]1(Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccccc1 2356808404 YTHUMKQTFJDAHM-MHECFPHRSA-N 442.464 2.047 0 1 IEAF CC(=O)Nc1ccc([C@H](O)CN2CCN(c3cnnc(O)c3Cl)CC2)cc1Cl 26664054 CHKRRRNKQUIMKV-MRXNPFEDSA-N 426.304 2.303 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)NCC31CN(C(=O)Nc2ccc3c(c2)OCO3)C1 95867559 VIJMTLJWVSNMKE-QGZVFWFLSA-N 436.468 2.327 0 1 IEAF OC[C@H](O)[C@@H](O)[C@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 105488981 DCNOQABWTKMHAI-BMGDILEWSA-N 435.267 2.023 0 1 IEAF CN1CCN(C(=O)COc2ccccc2)[C@@H](c2nc(-c3ccc4c(c3)CC(=O)N4)no2)C1 143845675 IOMMSRSRJRHQEB-LJQANCHMSA-N 433.468 2.125 0 1 IEAF COc1c2c(cc3c1OCO3)[C@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@@H]3OC(=O)c1cccnc1 197264304 IITMLRSQGPFGSO-RXYORGTDSA-N 436.464 2.455 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4ccccn4)o3)cc2Cl)CS1(=O)=O 209000182 RRUDJLAATVPDBZ-INIZCTEOSA-N 438.922 2.319 0 1 IEAF C=C/C=C/CC(=O)O[C@H]1C(CO)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C 238742846 AWRJTPFCJAMATC-NGAHXIQYSA-N 442.552 2.498 0 1 IEAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1ccc(-c2ccc(Cl)cc2)cc1 299840808 WHMRDWKWVDYZNI-UEQSERJNSA-N 449.975 2.453 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 587769297 AHTNCOMGSOJWBB-CWTRNNRKSA-N 425.298 2.133 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@H]2C[C@H](CO)N(CCc3ccccc3)C2)nn1 1772616666 FKXOJPSNJLPRGP-HRZVIGLNSA-N 432.528 2.363 0 1 IEAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(C(=O)c3ccco3)c2)nc1O 1857758144 SOOXQGOLGNKCTG-WHYMJUELSA-N 430.464 2.390 0 1 IEAF COc1cc2ncn([C@@H]3[C@H]4OC[C@@H](O4)[C@H](NC4CCC(F)(F)CC4)[C@@H]3O)c2cc1OC 2356573119 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RYXZAJFGSCETOB-DEOSSOPVSA-N 428.448 2.480 0 1 IEAF COc1cccc(-n2c(SCC(=O)NC[C@@H]3CCCO3)nc3nnc(C)c-3c2N)c1 103623127 KHINFEDTLXDETD-HNNXBMFYSA-N 428.518 2.054 0 1 IEAF CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCC3)cc1 206117209 IYWHUNOLUCTHFV-ZXGKGEBGSA-N 432.944 2.497 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(CCO)cc3[nH]2)cc1 586940539 XGAKANXRDPGWGV-FQEVSTJZSA-N 442.541 2.048 0 1 IEAF COC(=O)[C@@H]1C[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)CC1=O 587806546 JXOIOSFMHHHDMP-QPSRNOQQSA-N 442.281 2.259 0 1 IEAF CCOc1ccccc1[C@@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO 4039574 OGNMBBIWMZRJFE-GGAORHGYSA-N 441.528 2.368 0 1 IEAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@@H]1[C@H](O)O2)C=CC(C)(C)O4 14721557 RLRNZCCQKAWONC-XPNTWCBSSA-N 426.421 2.430 0 1 IEAF biogenic O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccc(F)c(F)c2)CC1 28705029 BTFIIXHRGSCSDG-UHFFFAOYSA-N 446.479 2.140 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(=O)C1CCOCC1)O2 95734125 WESXQGCLCDUYEJ-FXIGTNJYSA-N 445.560 2.220 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95795487 RBGWWDWZZPGPAM-MQSCRBSSSA-N 432.455 2.094 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NC(=O)C2CCOCC2)[C@H](CO)O1)Nc1ccc(Cl)cc1 95905697 ALLIEMYEDHFUCC-QYZOEREBSA-N 439.940 2.303 0 1 IEAF O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccc(F)cc1-2)N1CCOCC1 112931971 RZZKNWAYYKUPNA-UHFFFAOYSA-N 427.457 2.438 0 1 IEAF CCN(C)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)n2)cc1 203859398 FKEQWLNCXZRRLY-UHFFFAOYSA-N 437.525 2.319 0 1 IEAF O=S(=O)(/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccccc1 586923915 AEWHCGATEKHGQC-MDWZMJQESA-N 433.511 2.028 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@@H]1NCCC[C@@H]1O)(Cn1cnc3ccccc3c1=O)O2 587398953 GWFSQXUZBGGSDY-STWLZBDKSA-N 448.523 2.194 0 1 IEAF C[C@]1([C@@H]2CC[C@H](N)C2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963666334 KPKCSXQLUANTGG-BSWATRLVSA-N 437.540 2.143 0 1 IEAF COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2nccn2C)[C@@]12C(=O)Nc1ccc(F)cc12 1772656687 PUVRWBIZSOBXLW-KHJUTWJGSA-N 428.464 2.457 0 1 IEAF COC(=O)C1=C(CN2CCOCC2)NC(c2ncc(C)o2)=N[C@@]1(C)c1ccc(F)cc1 1857605224 XBRKGOJEVPIFGX-QFIPXVFZSA-N 428.464 2.147 0 1 IEAF O=C(O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1 9677473 OVLDLYXSHWRBOY-UHFFFAOYSA-N 446.510 2.429 0 3 IEAF C[C@H](NC(=O)CN(c1nc(Cl)nc2[nH]cnc12)C1CC1)C(=O)OCc1ccccc1 45347269 GVFVMRAZZIMQBM-LBPRGKRZSA-N 428.880 2.223 0 1 IEAF O=C1NCCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1csc(Nc2ccccc2)n1 82085252 UFDZQKICUMHFGM-NVXWUHKLSA-N 427.530 2.276 0 1 IEAF Cn1cnc2cc(-c3ccc([C@H](O)C(F)(F)F)cc3)nc(N3CC[C@H](CO)C3)c2c1=O 115624880 FORKZABGBUTOFG-SGTLLEGYSA-N 434.418 2.410 0 1 IEAF Cc1ccc(N2CCCCC2)c(CNC(=N)NC(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c1 653846237 OEUXNMYCXOTKEJ-FQEVSTJZSA-N 437.544 2.394 0 1 IEAF Cc1nc2cc(C)c3c(N)c(C(=O)NC4CN(c5cnc(Cl)cn5)C4)sc3n2n1 1857603182 KZTNGFUVDXWWBQ-UHFFFAOYSA-N 428.909 2.205 0 1 IEAF C[C@H](O)[C@@H](C)C(=O)O[C@H](C)CC=CC=C[C@@H]1CC[C@]2(C[C@@H]3OC(=O)[C@](C)(CO)[C@@H]3O2)O1 2356628278 NQHCVEOIXCDKGY-XBRYIKKUSA-N 438.517 2.026 0 1 IEAF CC(C)[C@]12C[C@]3(C)[C@]4(Cc5c(cc(O)c6c5[C@H](O)[C@H](C)OC6=O)O[C@@]4(C)C[C@@]3(O)O1)O2 2356827020 HMRARWPSVSGXMT-GRJNGSFTSA-N 432.469 2.318 0 1 IEAF Cc1csc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)n1 6577962 JMLQXIMJGGOFOG-ZDUSSCGKSA-N 438.531 2.228 0 3 IEAF aggregator O=C(C1CC1)N1CCc2cc(Br)cc(S(=O)(=O)NC[C@H]3CCCO3)c21 4758801 MUPKALMUGYSECX-CQSZACIVSA-N 429.336 2.206 0 1 IEAF Cc1ccccc1N1C(=O)[C@H]2C=C[C@@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@@H]2C1=O 5842499 SWDCMYLXRQXNGE-QYZOEREBSA-N 430.464 2.414 0 1 IEAF O=C(c1noc2ncnc(N3CCOCC3)c12)N1CCN(c2ccc(Cl)cc2)CC1 9687943 RKJXUHZZMBJLOM-UHFFFAOYSA-N 428.880 2.070 0 1 IEAF CCNC(=O)Nc1cn2c(-c3ncc(C)cn3)cc(-c3ccn(CC(=O)O)c(=O)c3)cc2n1 45321218 HEIWWNZDLYGFJT-UHFFFAOYSA-N 447.455 2.154 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)CC1CC1)CC31CN(C(=O)C2CC2)C1 95796029 LRVSGQLMLFNWGU-HXUWFJFHSA-N 437.540 2.353 0 1 IEAF Cc1ccc(-c2csc(Cn3nc(CC(=O)NCC(N)=O)c4ccccc4c3=O)n2)cc1 209640078 PYYURZDMZPGJIJ-UHFFFAOYSA-N 447.520 2.021 0 1 IEAF CCN(CC)C(=O)[C@@H](OC(=O)[C@H]1CC[C@H](CN)CC1)OC(=O)[C@H]1CC[C@](C)(CN)CC1 299845931 MPVNSGIKSWFDAQ-BQBMVXNTSA-N 439.597 2.188 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2ccc(S(C)(=O)=O)cc2[nH]1 586946860 UDLJEQNPZBSINM-CQSZACIVSA-N 449.554 2.399 0 1 IEAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc([C@H](N)C5COC5)[nH]c4c3)cc2)CC1 587256985 RGYROIGZAJTQSW-HSZRJFAPSA-N 448.571 2.251 0 1 IEAF CCCCC[C@H](CN(O)C=O)C(=O)NCNC(=O)c1ccc(-c2cccc(C(=O)O)c2)o1 1857647818 SDTSNZJWXCVNMT-QGZVFWFLSA-N 445.472 2.492 0 1 IEAF C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)OC(=O)C(c1ccccc1)c1ccccc1 1857651359 NONPJXRVQFIVLK-INIZCTEOSA-N 432.480 2.198 0 1 IEAF O=C(N[C@@H]1[C@@H](O)CCC[C@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 1857769799 NCVPZEFQCSVGJQ-SGRGSNTQSA-N 431.496 2.274 0 1 IEAF CCNC[C@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@@H](O)[C@@H](C)N1)CNC)CC(=O)O 2356291799 AQOOPQXHROGANV-GJTYKATRSA-N 429.646 2.260 0 1 IEAF CN1C(=O)C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)N(C)C1=O 6733251 LGQWHMWVBRHRMJ-HNNXBMFYSA-N 437.431 2.360 0 1 IEAF O=C(O)c1cn2c3c(c(N4CCN(C(=O)C(F)(F)F)CC4)c(F)cc3c1=O)SCC2 27526297 ZVWVWTLGIJAIGE-UHFFFAOYSA-N 445.394 2.155 0 1 IEAF Nc1nc2c(cnn2CCN2CCN(c3ccccc3)CC2)c2nc(-c3ccco3)nn12 52996755 WFWHDQGOIJIVSG-UHFFFAOYSA-N 429.488 2.138 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N(C)CC(=O)N[C@@H]2CCCCNC2=O)cs1 82073805 GJDGAPQSZSYNEN-OAHLLOKOSA-N 430.530 2.066 0 1 IEAF CN1CCC[C@@H]1COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085466 QJQVUHFMXGEOLD-WBVHZDCISA-N 427.457 2.312 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1cncnc1)O2 95729352 CJRCUHMGBGRKJG-FXIGTNJYSA-N 425.533 2.257 0 1 IEAF COC(=O)N[C@@H](C)CNc1nc(-c2ccc(C(C)(C)O)cc2)cc2ncn(C)c(=O)c12 115125299 PHLDRMUQRBKPMJ-ZDUSSCGKSA-N 425.489 2.379 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(N[C@@H]4CCC[C@@H]4CO)n3)cc2)CC1 143445007 WZBFTKJDZVUHHQ-UYAOXDASSA-N 448.571 2.320 0 1 IEAF CC(C)Oc1ccccc1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 205026762 OZJFLDXDYVJEMG-SXGWCWSVSA-N 448.487 2.278 0 1 IEAF CCS(=O)(=O)N1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1 225556752 BRQQLDXACCTXCB-UHFFFAOYSA-N 448.524 2.418 0 1 IEAF CCS(=O)(=O)NCCCc1nc2c(Br)cnc(Br)c2[nH]1 586942354 KJWNPTQUTIFMHN-UHFFFAOYSA-N 426.134 2.355 0 1 IEAF O=C(O)c1nn(Cc2nc3cc4c(cc3[nH]2)OCCCO4)cc1I 587185906 PXJYMANNMMUKLX-UHFFFAOYSA-N 440.197 2.272 0 1 IEAF CN1CCN(C(=O)c2ccc(NC(=O)c3csc4c(O)ncnc34)c(N(C)C)c2)CC1 653864055 NZJJZUDQLCCFIZ-UHFFFAOYSA-N 440.529 2.103 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@]1(C2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222202 GGZXLYRYAANAJS-ZREGXQJESA-N 429.542 2.144 0 1 IEAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)CCCc2cnccc21 1772632435 MGVZEQMHPKOVRP-REWPJTCUSA-N 442.947 2.025 0 1 IEAF CO[P@@](=O)(CCCCNC(=S)SC[C@H](NC(C)=O)C(=O)O)c1ccccc1 1857650475 OVMBGSWKVCQPHZ-MQNRADLISA-N 432.504 2.214 0 1 IEAF COc1ccc2c(c1OC)C(=O)O[C@@]21ON(C)[C@H]2Cc3cc4c(c(OC)c3[C@@H]21)OCO4 2356426315 UTIBECRJUMNGTP-UZWKXWHHSA-N 427.409 2.350 0 1 IEAF Cc1cccc(C)c1NC(=O)[C@@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 199233960 YNPKZEXTKVSBBS-HXUWFJFHSA-N 435.571 2.366 0 3 IEAF CC(C)CN(C[C@H](O)C(=O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 1890763 MKODWSWFPOSLLD-PMACEKPBSA-N 428.485 2.462 0 1 IEAF COC1=C(OC)/C(=C/[C@H](n2cnc3c(Cl)ncnc32)P(=O)(OC)OC)OC1=O 13490671 KMHTYHHUTHPWPP-BZJXQOFCSA-N 430.741 2.409 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 82208109 IFZMBKLJAHITIY-NBHGPNQESA-N 448.560 2.381 0 1 IEAF O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(C(=O)[C@H]2CN(C3CC3)CCN2)CC1 84711116 GZJSBOQLHKXVLJ-QGZVFWFLSA-N 426.348 2.106 0 1 IEAF CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C/CCCS(=O)(=O)NC(C)=O 89456648 PTUWFUAKZZOOQW-VCARKBDOSA-N 431.595 2.034 0 1 IEAF CCOC(=O)[C@@H]1[C@@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F 95559028 DBKSKPODNPGURY-VCBZYWHSSA-N 444.358 2.095 0 1 IEAF 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NS(=O)(=O)c1cccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c12 586942495 MTKHDVJXALEYDX-UHFFFAOYSA-N 449.341 2.038 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587222293 SKDRJQSDXOMVEM-ZBFHGGJFSA-N 426.429 2.179 0 1 IEAF CCOC(=O)C(=O)C[C@@]1(c2nccs2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963225465 DHSCTRMITIXRME-IIBYNOLFSA-N 425.466 2.056 0 1 IEAF CN(C)c1ccc2cccc(OCC(=O)NC[C@H](O)CN3CCc4ccccc4C3)c2n1 1772656260 NQYRQXHXODTULO-NRFANRHFSA-N 434.540 2.215 0 1 IEAF Cc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)Nc4ccccc4)[C@@H]32)cc1Cl 2356811494 BPCFYMCEEDXPRO-GYFISPQKSA-N 431.945 2.461 0 1 IEAF COc1cccc(N2C(=O)N[C@@H]3CCN(C(=O)CC4(CC(=O)O)CCCC4)[C@@H]3C2=O)c1 4260665 JJVJTEYHSOIKIU-APWZRJJASA-N 429.473 2.146 0 1 IEAF biogenic CCCCO[C@H]1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 4547606 NMGBXRZJKQOTOP-BQJUDKOJSA-N 432.561 2.444 0 1 IEAF CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C 7998140 KBHPPKYRDDJVFM-QTXJQWEMSA-N 426.506 2.461 0 1 IEAF COc1cc(N[C@@H](C)CCCNC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)N)c2ncccc2c1 45253239 JPYLVESCYSATAT-YRNRMSPPSA-N 427.549 2.278 0 1 IEAF CCCc1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 95675925 PYJMYSQFCOCJMQ-KBAYOESNSA-N 442.969 2.161 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)Cc2ccncc2)Oc2c(cccc2N(C)C)C1=O 95845913 OVBQAIOLOOTXQW-FGSXEWAUSA-N 426.561 2.500 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(S(C)(=O)=O)CC31CCN(CC2CC2)CC1 95865796 VUTCXLABWJHUNP-FQEVSTJZSA-N 447.601 2.239 0 1 IEAF COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)cc1 95878836 VBHFXKMGVUKTSE-ZWSUVBHBSA-N 437.540 2.370 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3C=C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C[C@H]3C2=O)cc1 102915035 NSKRXGIBHQDJKC-HSALFYBXSA-N 430.464 2.002 0 1 IEAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cnc(-c2ccccc2)c1 114057473 HCGIYKXAFSVLBQ-HXUWFJFHSA-N 439.475 2.330 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@@H](N)[C@H](F)CC1 169699339 UNPUCKRJJQRLJX-VXGBXAGGSA-N 430.513 2.039 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)N[C@H](C)CO 299874165 AXQFQXGWVHHFIC-UIFIKXQLSA-N 432.561 2.301 0 1 IEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 587757564 OSTSFGLARHJGDK-FVINQWEUSA-N 449.324 2.275 0 1 IEAF CCOc1cc(-c2cccc(F)c2)nn1C(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 587872701 RVIMGVCYGZNJLB-UHFFFAOYSA-N 448.476 2.125 0 1 IEAF C[C@H](O)c1ccc2c(N)c(C(=O)NCCc3ccc(N4CCNCC4)cc3)sc2n1 1857619739 BNTQUFKUUAKTHO-AWEZNQCLSA-N 425.558 2.314 0 1 IEAF C[C@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)Cc1cc(F)ccc1F 61925737 OQJRGJABPWDYJV-LJQANCHMSA-N 444.406 2.282 0 3 IEAF O=C1[C@H]2CCCN2C(=O)CN1CCCCN1CCN(c2ccccc2C(F)(F)F)CC1 26716501 SGQHIAKHWDPOQC-LJQANCHMSA-N 438.494 2.441 0 1 IEAF O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC(Br)=NO1)Oc1cccnc1 70460297 OBPIODFSFQWPRP-CVEARBPZSA-N 447.289 2.395 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)cc1)C(=O)NCCCN1CCCC1 82061609 SLUNLRZTUKKDBY-QHCPKHFHSA-N 443.636 2.185 0 1 IEAF CCCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O 82236133 NQVMOUISFABXHC-FQEVSTJZSA-N 444.576 2.177 0 1 IEAF Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(F)c1 84668166 QYQCPRXWGNJKFL-LBPRGKRZSA-N 426.495 2.143 0 1 IEAF CCC(=O)Nc1ccc2c(c1)OC[C@H](C)N(C(=O)COC)C[C@@H](C)[C@@H](OC)CN(C)C2=O 95691374 WSQGAZSPVHYFJA-GUXCAODWSA-N 449.548 2.014 0 1 IEAF CN(CCO)C(=O)c1ccncc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1 169701712 WUEUJQQZKSSYCR-UHFFFAOYSA-N 433.472 2.204 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 195097977 UJISMJDOFFHTEW-ROMHJBHXSA-N 431.496 2.397 0 1 IEAF CN1CCC(c2ccccc2OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)CC1 218919076 RYGXXUVATQJVNW-QHCPKHFHSA-N 437.584 2.410 0 1 IEAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc([C@H](N)C3COC3)nc1-2 587255717 OOWKPYXRMYRYPF-OAHLLOKOSA-N 445.462 2.132 0 1 IEAF COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2 587353660 ZRMZEMKCRXLJSP-RPSDVRCRSA-N 427.428 2.323 0 1 IEAF CCOC(=O)[C@]1(c2ccc3c(c2)OCCO3)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229386 WBGWMCHQIXSESQ-YADARESESA-N 434.448 2.412 0 1 IEAF CN(C[C@H]1CC[C@H](N2CN(C3CC3)C(=O)c3c[nH]c4nccc-4c32)CC1)S(C)(=O)=O 1772639947 SZGAUGYVTHSGQH-SHTZXODSSA-N 431.562 2.347 0 1 IEAF O=S(=O)(Nc1ccc(-c2cn(-c3cccc(F)c3)nn2)cc1)c1cnc(O)nc1O 1857566343 WRZHGSOGIZGZTI-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF NC(=O)c1ccn(-c2cccc(OC(=O)NCCN3CCN(c4ccccc4)CC3)c2)c1 1857572028 WGOUWABLRGOCPZ-UHFFFAOYSA-N 433.512 2.487 0 1 IEAF Cn1cc(CN2C(=S)N(Cc3ccco3)[C@H]3[C@H]2[C@@H]2OC(=O)[C@@H]3C[C@@H]2O)c2ccccc21 2356308341 NHRNUEFGKHWONF-KPACCLEDSA-N 437.521 2.417 0 1 IEAF CCOc1ccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)cc1 4039629 BXZDTCACGZGXAW-FYYLOGMGSA-N 441.528 2.368 0 1 IEAF C[C@H](NC(=O)[C@@H]1CCCN1c1nnc(N2CCCC2=O)s1)c1ccc2c(c1)OCCO2 9287970 ZMMSLNCRPVGAKE-ZFWWWQNUSA-N 443.529 2.282 0 1 IEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1 13807810 CEZUBTIRYSPQFO-HOTGVXAUSA-N 433.896 2.211 0 1 IEAF CC(=O)c1ccc2c(c1)CO[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 40849120 MZZOJNKVKNIXBH-YXOGEAQLSA-N 434.341 2.235 0 1 IEAF COC(=O)[C@]1(Cc2ccc(O)c(C[C@@H]3OC3(C)C)c2)OC(=O)C(=O)[C@H]1c1ccc(O)cc1 95785587 AOQVEWHCTJBXCU-XLNZFTOWSA-N 440.448 2.182 0 1 IEAF O=C(O)C[C@@H](NC(=O)c1ccc(CCC(=O)NC2=NCCCN2)s1)c1ccccc1 96299881 VLJUFTHMYJULLF-MRXNPFEDSA-N 428.514 2.092 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2C(=O)NCC(C)(C)O3)cc1 142192192 PGTMTQWTUQIIDY-UHFFFAOYSA-N 440.504 2.022 0 1 IEAF COC1=C[C@]2(N[C@H](C(=O)O)Cc3cccc(F)c32)C(C(=O)O)=NN1c1ccc(F)cc1 962894069 HFHOLUPCGHJSIM-YCRPNKLZSA-N 429.379 2.208 0 1 IEAF CC(=O)O[C@@H]1C[C@@]2(C)C=C[C@H](O)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 2356410488 MJWXYHMXFFQYJC-RVPDBBGMSA-N 434.529 2.037 0 1 IEAF CONC(=O)c1ccc(C)c(Nc2nc(N[C@H]3CCNC3)nc(N(C)CC(C)(C)C)n2)c1 28636286 YXDSUWPHIMTKHI-INIZCTEOSA-N 442.568 2.471 0 1 IEAF COc1ccc(N2CCc3c(NS(=O)(=O)c4cccc(OC)c4)n[nH]c3C2=O)cc1 96916159 WYGMJFFDGHQWBP-UHFFFAOYSA-N 428.470 2.431 0 1 IEAF O=C(NCC[C@@H]1CN(C(=O)OCc2cc(Cl)cc(Cl)c2)CCO1)c1c[nH]c(=O)o1 150319382 WZGCDHLUMRBIFI-CQSZACIVSA-N 444.271 2.432 0 1 IEAF CCN(C(=O)c1cc(C)ccc1-n1nccn1)[C@@H](C)Cn1nnc(-c2ccc(F)cn2)n1 210460563 ZKGLIXSQQKFLED-HNNXBMFYSA-N 435.467 2.314 0 1 IEAF CC[C@@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 261117962 JBVSQYZVCXMFCI-VAMGGRTRSA-N 430.593 2.365 0 1 IEAF CC(=O)Nc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1 299876712 GDSSYAJGOBSACS-SCTDSRPQSA-N 430.530 2.003 0 1 IEAF Cc1c(Br)cnc2[nH]c(CNS(=O)(=O)c3ccc4c(c3)OCCO4)nc12 586940974 ATMWLMBSPDEJQA-UHFFFAOYSA-N 439.291 2.279 0 1 IEAF CC(=O)N[C@@H](Cc1ccc(Br)cc1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 586983814 CNZPTJBCDLMPGV-INIZCTEOSA-N 437.319 2.393 0 1 IEAF N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)nc-2[nH]1 587172031 CTXDOPZGVWMCCV-GFCCVEGCSA-N 448.506 2.491 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=N)NC(=O)c2ccccc2C)[C@H]1NC(C)=O 1772620851 HNUKGSMQIONGGG-XUVXKRRUSA-N 444.532 2.111 0 1 IEAF O=C(Nc1cc(Cn2c(=O)nc(O)c3ccccc32)ccc1Br)[C@H]1CCNC1 1772627699 FXZMQYXWLBPWSQ-ZDUSSCGKSA-N 443.301 2.461 0 1 IEAF C[C@@H](O)[C@H](NC(=O)C1CCCCC1)C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1 1857616788 JIDFOZUPMWDEAL-KDOFPFPSSA-N 439.578 2.148 0 1 IEAF COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@@]4(OC)N(C[C@H](C)C1=O)C[C@@H](CC3)[C@]24C 2356444426 VBQJEMGOKDQRDF-GROIUVGMSA-N 425.481 2.460 0 1 IEAF COC(=O)c1ccc(OC)c(Cn2c(=O)n(-c3ccc(C)cc3)c(=O)c3c2cnn3C)c1 8592197 WLFJVYAZTFBOIO-UHFFFAOYSA-N 434.452 2.038 0 1 IEAF CCOC(=O)CC(=O)Nc1ccc(Cl)cc1S(=O)(=O)n1cccc1C(=O)OCC 13745902 RZVGLEGUQLDRRR-UHFFFAOYSA-N 442.877 2.447 0 1 IEAF COCC(=O)N1CC2(C1)[C@H](c1ccc(-c3cccc(F)c3)cc1)[C@H](CO)N2C(=O)C1CC1 95667054 NAJFRIOEGOBBGE-JTHBVZDNSA-N 438.499 2.417 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2cccc(F)c2)C1 95793766 FQGYUWXVFDFQDJ-LJQANCHMSA-N 445.516 2.237 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CC1 95881211 BJJHBMJMLCEQRE-LKPDFLLCSA-N 434.492 2.092 0 1 IEAF CC(C)c1cn(CC[C@H]2CC[C@@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 95906154 MMFQGAJZTXOTSF-SZVBFZGTSA-N 442.969 2.332 0 1 IEAF CC(=O)OCc1c(O)c(C(=O)O)c(C=O)c2c1OC(=O)c1c(C)cc(O)c(C=O)c1O2 238732584 NBHCIOBDJATFTO-UHFFFAOYSA-N 430.321 2.117 0 1 IEAF C/C=C(/C)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@@]4(CO)C(=O)O[C@H]5CC[C@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3 238754902 QBBBYGQGNJHPPR-IGHJNXSSSA-N 432.513 2.197 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587844377 NNEXQOXEQOKBOC-SVKFGRERSA-N 434.327 2.316 0 1 IEAF CN(Cc1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1)S(N)(=O)=O 1772644035 WGSUNDWKFJGNLI-UHFFFAOYSA-N 429.483 2.213 0 1 IEAF Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc23)cnn1-c1nc(=O)c2cccn2[nH]1 1857598531 SNBATUQBFXAPQV-UHFFFAOYSA-N 430.468 2.178 0 1 IEAF CC[C@@H]1CCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NC)[C@H]2O)[C@@H](C)C(=O)NCCC1 2356492121 XKCKFIWDRHTTCA-LXGFDUFTSA-N 428.614 2.339 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c1O[C@@H]1[C@H](O)[C@H](O)CC[C@]21O 2356635422 ZBVSQEYSJDLSLO-CLRUMFTLSA-N 429.513 2.309 0 1 IEAF Nc1nc2c(cnn2CCCc2ccc3c(c2)O[C@H](C(=O)O)O3)c2nc(-c3ccco3)nn12 13471760 AFOOOKGSRGDTCL-HXUWFJFHSA-N 447.411 2.131 0 1 IEAF COc1cc([C@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@H]2C(=O)O)cc(OC)c1O 14766505 MQRBOKLXGOXXGG-DOTOQJQBSA-N 446.408 2.447 0 1 IEAF biogenic CC(=O)N1CC[C@H](CC(=O)O)[C@@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 50806701 XRDVAJWPQLEUTM-MSOLQXFVSA-N 428.533 2.316 0 1 IEAF biogenic Cc1cccc(-c2ccc([C@@H]3[C@@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@H]34)cc2)c1 95661636 FAEZEZMAIFLOTA-AKFKNWHVSA-N 428.492 2.263 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)C1CCCCC1 95904228 FSCPNKZYECBZAT-RLLQIKCJSA-N 442.553 2.099 0 1 IEAF NNc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2cnc3c(N)n[nH]c3n2)cc1 148843802 NHVMELQZRBPOSZ-UHFFFAOYSA-N 430.881 2.342 0 1 IEAF NC(=O)Cn1cc(C(=O)c2cncc(NC(=O)Cc3ccc(Cl)cc3)c2)c2cncnc21 169707857 IUHURUZSQYRDLW-UHFFFAOYSA-N 448.870 2.377 0 1 IEAF Cc1cccc2c1O[P@](=O)(OC[C@@H]1C[C@@H](O)[C@H](n3cnc4c(O)ncnc43)O1)OC2 253700739 LILMKTKATZAEQA-WNAMLEJLSA-N 434.345 2.223 0 1 IEAF CO[C@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)CC=C[C@@H]1C 299813146 KBHPPKYRDDJVFM-OYSTVDSJSA-N 426.506 2.461 0 1 IEAF COc1ccc2c(c1OC[C@@H](O)CN1CCN(c3ccccc3)CC1)CO[C@@H](C)C2=O 1857611913 AGBIABPYFBNSSX-HKUYNNGSSA-N 426.513 2.359 0 1 IEAF CN1CCN(c2nc(NCc3nc4ccccc4[nH]3)c3ncn(-c4cccnc4)c3n2)CC1 1857641710 NHQXCXVCBFIXOU-UHFFFAOYSA-N 440.515 2.451 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC(C)=O 2356477718 FPGSRCHTAOFUND-PLBGURBNSA-N 442.420 2.326 0 1 IEAF CC(C)C[C@H](NC(=O)Cc1ccsc1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 3980190 FJLCFJOFTFRWRX-AZUAARDMSA-N 426.542 2.485 0 1 IEAF CCCCO[C@@H]1C[C@@H](C(=O)N[C@@H](C)[C@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 4546050 HXRHFVMLNUIDPG-OFCAXSSNSA-N 426.517 2.115 0 1 IEAF COc1ccc2nc(CN(C)C[C@H](O)COc3ccc(NS(C)(=O)=O)cc3)ccc2c1 26966200 ZBTLKBASCRAUID-IBGZPJMESA-N 445.541 2.487 0 1 IEAF O=C1C[C@@]2(CCc3ccccc3C2)C(=O)N1CCCCN1CCN(c2ncccn2)CC1 29245370 YLIUOKCBMMVWDS-VWLOTQADSA-N 433.556 2.313 0 1 IEAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@@H](CO)N2S(C)(=O)=O 95794090 FPWPEMULKRPRSL-IRLDBZIGSA-N 428.554 2.373 0 1 IEAF CN1CCN(c2cc(F)cc3nc(Cc4ccc5c(c4)OCO5)n4nc(N)nc4c23)CC1 116239213 SMTBWZFWBLWQHA-UHFFFAOYSA-N 435.463 2.070 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 299874535 BNQCACLDAKCEET-UIFIKXQLSA-N 432.561 2.301 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H](C)O)cc1 586938247 PKRNOSWGMKUQET-FVMDXXJSSA-N 441.412 2.293 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@]5(N)CCOC5)[nH]c4c3)cc2)CC1 587248607 UYPUDGCXLNVWOI-DEOSSOPVSA-N 434.544 2.137 0 1 IEAF O=C1N[C@@H]2CCN(C(=O)N3CCOCC3)[C@@H]2C(=O)N1c1ccc(Oc2ccccc2)cc1 4278025 XMQOZQCWGQDRHQ-UXHICEINSA-N 436.468 2.430 0 1 IEAF biogenic CCCCCNC(=O)[C@@H](N)Cc1ccc(N(C(=O)C(=O)O)c2ccccc2C(=O)O)cc1 13519777 IVGIJUNTVQKKSX-SFHVURJKSA-N 441.484 2.310 0 1 IEAF COC1=C2C(=C[C@@H](OC)[C@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 27718628 UQOMYZHHEJVIHI-LUQKVYGDSA-N 433.526 2.040 0 1 IEAF CNC(=O)c1nn(Cc2cc3cccc(C)c3c(=O)n2-c2ccccc2)c2ncnc(N)c12 88345904 SQHMTHWQDMRRIW-UHFFFAOYSA-N 439.479 2.429 0 1 IEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CC(=O)c4cccs4)CC3)nc21 1911575357 SHJNJQZKDSFFTQ-UHFFFAOYSA-N 444.488 2.320 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)Cc1cncnc1)O2 95729348 CJRCUHMGBGRKJG-BHKDKARYSA-N 425.533 2.257 0 1 IEAF O=C(N[C@@]12CCC(=O)[C@@H]3Oc4c(O)ccc5c4[C@@]31CCN(CC1CC1)[C@@H]2C5)c1cccnc1 96906874 RILOSWLLMCBDRY-RTOPKKFASA-N 445.519 2.358 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2ccc(F)c([C@@H](CN)Cc3ccccc3)c2)c1 114734795 PKUCOECXEYLXBZ-QGZVFWFLSA-N 432.521 2.202 0 1 IEAF O=C(NCCO)c1cccc(-c2n[nH]c([C@H]3CCCCN3C(=O)COc3ccccc3)n2)c1 144748008 DECKVJPZZCDYQV-HXUWFJFHSA-N 449.511 2.326 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@]23O)c(O)c1 257424786 GGQLLLSSCCXUBL-JMLDRZICSA-N 432.513 2.333 0 1 IEAF endogenous,in-man O=S(=O)(c1ccc2nc(Cc3cc(F)cc4c3OCOC4)[nH]c2c1)N1CCOCC1 587172127 WMGDSWSQKJZYFV-UHFFFAOYSA-N 433.461 2.180 0 1 IEAF CCOC(=O)c1ccc2[nH]c(-c3nn(CC(=O)O)cc3I)nc2c1 587184599 DPSQGYVYTYGGBV-UHFFFAOYSA-N 440.197 2.292 0 1 IEAF COC(=O)[C@@H]1C[C@@]2(CN1S(=O)(=O)c1cccs1)NCCc1cccc(Cl)c12 963391104 QBZGXUXCEDPXJE-KSSFIOAISA-N 426.947 2.379 0 1 IEAF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@]2(CCN3CCCC[C@@H]32)N1 963666100 JJHWIKDIUZYSEE-OHTANWTRSA-N 449.551 2.172 0 1 IEAF O=C(N[C@H]1C[C@@H](O)CC[C@@H]1O)c1cn(Cc2ccc(-n3cccn3)cc2)c2cccnc12 1857642964 WEOLWRJLCJEKBL-VCOUNFBDSA-N 431.496 2.274 0 1 IEAF COC(=O)[C@H](C)N[P@@](=O)(OC/C=C/Cn1cnc2c(N)ncnc21)Oc1ccccc1 26270276 XZMWWDJOKLNHNR-GNVCZLNESA-N 446.404 2.320 0 1 IEAF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC(=O)c3ccccc3)[C@H]2SC1 26499730 OVPSEXYCDSNMBQ-FUHWJXTLSA-N 433.482 2.286 0 1 IEAF CC(C)C[C@@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 29342793 MLMDXZWBKZKHCA-HOCLYGCPSA-N 428.422 2.392 0 1 IEAF C[C@H]1CN(c2ccncc2NC(=O)c2ccc(F)c(-c3ccncc3F)n2)C[C@@H](N)[C@@H]1O 140156911 DFIJYMKITRKPIH-CFTTWAEZSA-N 440.454 2.213 0 1 IEAF C[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n([C@H]5CCC[C@@H]5O)c4n3)nn2)CCN1 169706855 CQCKTGBWCVFFIL-FNHZYXHNSA-N 445.531 2.397 0 1 IEAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(c1ccc(N2CCOCC2)cc1)C(O)O 587595099 OSSNBIABOAOHCY-BWKNWUBXSA-N 449.459 2.397 0 1 IEAF Cc1ccccc1CNC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3ccc(F)cc3)O[C@@H]2[C@H]1O 2356289017 ODGROWIYDDQDOP-LBQHQWNISA-N 428.504 2.216 0 1 IEAF CN(Cc1nccn1C)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1 11817183 PYCPGEWDUQFUDF-QHCPKHFHSA-N 445.567 2.401 0 3 IEAF O=C(c1ccccc1F)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 206063656 QKVAPJPWIRXVQE-YQVWRLOYSA-N 433.277 2.400 0 3 IEAF CC1CCN(C(=O)CCc2nc(CN3CCN(C(=O)/C=C/c4ccco4)CC3)no2)CC1 20562494 FIJQGRFTRUMJKX-GQCTYLIASA-N 441.532 2.211 0 1 IEAF COc1c(Br)cc(/C=C(\OS(=O)(=O)O)C(=O)O)cc1Br 28827244 SZUCHDKGFGLHJX-YWEYNIOJSA-N 432.042 2.465 0 1 IEAF C/C=C1\CN2[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C(C)=O)[C@H]32)[C@@H]1OC(C)=O 33848739 DCBUJUCXJASOBN-ZQTMYNFESA-N 436.508 2.187 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@H]2C1 95795641 YTXOATAQUYUYJS-MQSCRBSSSA-N 432.455 2.094 0 1 IEAF C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(C(N)=O)cc4)nc32)c1 96933672 JWNAINYXINYHML-UHFFFAOYSA-N 427.424 2.143 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2c[nH]ccc-2n1 101152483 JNLCGFYPHLJXHL-HNNXBMFYSA-N 427.511 2.204 0 1 IEAF NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@]1(O)CCCc2cccnc21 209412602 BXLMJFVUCMLTEC-CVDCTZTESA-N 442.947 2.025 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cn2ccc(-c3ccc(F)cc3)n2)n1 210611064 QTGVVJKIDVNSKU-HXUWFJFHSA-N 433.447 2.472 0 1 IEAF COC(=O)[C@@H]1[C@H]2C[C@H]3C4=Nc5cc(OC)c(OC)cc5[C@@H]4CCN3C[C@@H]2[C@H](C)O[C@H]1O 238767561 ZYGDELAAHCXOPI-ROTAIFBBSA-N 430.501 2.110 0 1 IEAF CCCc1c(O)ccc2c1O[C@]1(CC2=O)c2ccccc2[C@@]2(O)N(CCC)C(=O)N[C@@]21O 587487691 NKLBJBIONBPVEZ-SGNDLWITSA-N 438.480 2.488 0 1 IEAF Cn1c(=O)c2c(-n3nc(-c4ccccc4)c4cc(F)c(F)cc4c3=O)ccnc2n(C)c1=O 587658989 XPBDSGYWRUZMML-UHFFFAOYSA-N 447.401 2.277 0 1 IEAF Cc1c(O)ccc2c1[C@H]([C@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)N[C@H](C(=O)O)C2 963469895 LJTLHFXAPFQPKM-ZWOKBUDYSA-N 444.532 2.458 0 1 IEAF COCCNC(=O)C1=CC[C@H]2[C@@H]3CCc4cc(OS(N)(=O)=O)ccc4[C@H]3CC[C@]12C 3964922 RAHOXHWAPLELFU-IWQHBPENSA-N 434.558 2.424 0 1 IEAF Cc1ccccc1N1C(=O)[C@H]2C=C[C@H](n3nc(O)n(Cc4ccccc4)c3=O)C[C@@H]2C1=O 5842513 SWDCMYLXRQXNGE-FHWLQOOXSA-N 430.464 2.414 0 1 IEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@@H](C)C(=O)NCc2cccnc2)C(=O)[C@@]31C 15955481 BJEUBCIHSANOBT-LFPIHBKWSA-N 447.495 2.312 0 1 IEAF biogenic COC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C 28755298 QCCIZJORPJCMJY-PMACEKPBSA-N 440.496 2.407 0 1 IEAF N[C@H]1C[C@@H](CO)N(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 29339738 ZNAOHBXEDPYIDO-RYUDHWBXSA-N 433.386 2.005 0 1 IEAF COc1cc(C2=C(c3cn(C[C@H](O)CO)c4ccccc34)CNC2=O)cc(OC)c1OC 40379168 XEPJRQDBXHUPBR-HNNXBMFYSA-N 438.480 2.061 0 1 IEAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(C)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O 95666844 SPTZYPWXDJFIRG-IRLDBZIGSA-N 428.554 2.373 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C 95855869 SFMSPGMXXHPKHG-GLJUWKHASA-N 445.482 2.336 0 1 IEAF Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@H]2CC[C@H](CC(=O)O)O[C@@H]2CO3)no1 95889297 TWAPEWVDHQLIDV-RPVQJOFSSA-N 429.429 2.091 0 1 IEAF NCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2ccccc2c1)C(N)=O 96909404 SJNFRKMKWHHPKU-GOTSBHOMSA-N 446.551 2.280 0 1 IEAF CCN(CC)CCNC(=O)c1cc([123I])c(NC(C)=O)cc1OC 101087099 LINIANRIXLAKGR-HHRLKWFBSA-N 429.292 2.330 0 1 IEAF COc1ccc(OC)c([C@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 169687628 HYPXAQYKBNRSIJ-UXHICEINSA-N 425.437 2.438 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1 169699467 QUSNDNFCKNTNIF-AAEUAGOBSA-N 448.503 2.178 0 1 IEAF C=Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCC3)cc1 214167078 GBWNAHPSILECEK-SQKWCZRTSA-N 432.900 2.024 0 1 IEAF N=c1nc2c(c[nH]1)C[C@@H](CNC(=O)c1cc(Br)c(Br)[nH]1)CC2 474607907 KMEWFTZHXRZCTG-ZETCQYMHSA-N 429.116 2.277 0 1 IEAF CN(Cc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1)S(=O)(=O)c1cccnc1 586929594 YRPUIDWTYUSUQZ-UHFFFAOYSA-N 434.421 2.072 0 1 IEAF CCn1ncc2c(F)cc(C(=O)Nc3nnc(C4(C)CCN(C(=O)CO)CC4)s3)cc21 653845378 HDKHSTMAQKVCNQ-UHFFFAOYSA-N 446.508 2.172 0 1 IEAF COc1ccc([C@@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 1814547 PFDPVMYUGXCFLW-VQTJNVASSA-N 442.537 2.431 0 1 IEAF O=C(O)[C@H](CCCCn1cnc2c1NC=NC[C@@H]2O)C(=O)NCc1ccc(Cl)cc1 13807806 CEZUBTIRYSPQFO-CVEARBPZSA-N 433.896 2.211 0 1 IEAF CCN(CC)CCNC(=O)Cn1ncc2c(C)n(Cc3ccccc3F)c(C)c2c1=O 20417479 OWUJTZQIZBIHIA-UHFFFAOYSA-N 427.524 2.460 0 1 IEAF Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)N[C@@H]1CCN(Cc2ccc(O)cc2)C1 29125693 NTDUGNWTONHPJW-OAHLLOKOSA-N 436.434 2.114 0 1 IEAF COc1ccc(Cn2c(O)c(CC=C(C)C)c(=O)n3c4c(nc23)N(C)CN(C)C4=O)cc1 34168932 GVNSKUKJILXCFH-UHFFFAOYSA-N 437.500 2.247 0 1 IEAF O=C(O)C[C@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNC2)c1ccc2c(c1)OCO2 58506250 TYTHBXMTSPUPRQ-KRWDZBQOSA-N 425.441 2.069 0 1 IEAF COc1ccccc1CCNc1nc(NC[C@@H](O)CO)nc2cc(OC)c(OC)cc12 82128337 AYRNJSLIRSTOFM-OAHLLOKOSA-N 428.489 2.075 0 1 IEAF CCCCO[C@H]1C[C@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 82199473 SDBDJSDNXHAMJW-AZUAARDMSA-N 442.516 2.210 0 1 IEAF CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4O/C(=C5\OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]42)CN13 85532534 HPWNQJWDZBXQIY-KSFWHIEKSA-N 429.513 2.378 0 1 IEAF biogenic,in-vitro C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccc(F)cc3)[C@@H]2N1CC 100140126 LOEDEPASPQELSH-ZFIHIDHNSA-N 425.504 2.320 0 1 IEAF O=C1N(CCCCN2CCN(c3cnccn3)CC2)C(=O)C23[C@@H]4C=C[C@H](C4)C12[C@H]1C=C[C@H]3C1 100679060 FGTBEZXHSMREKK-YIQYMMJJSA-N 445.567 2.132 0 1 IEAF COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3C(N)=O)C2=O)ccc1O 103272401 CNJHXFIFIFXAGX-CXUHLZMHSA-N 427.438 2.175 0 1 IEAF Cc1cccc2nc([C@H](C)Nc3nc(N)nc(N)c3C#N)n(-c3cncc(F)c3)c(=O)c12 220886131 ICATZRJGCYYXPS-NSHDSACASA-N 431.435 2.227 0 1 IEAF COC(=O)c1cc2nc(CNS(=O)(=O)c3cccc4c(N(C)C)cccc34)[nH]c2cn1 586941980 PPXQWEHRVBOHSP-UHFFFAOYSA-N 439.497 2.442 0 1 IEAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CS(N)(=O)=O)(c2ccccc2N)N1 587838687 DNXLOBQXUOLMBR-DYZYQPBXSA-N 428.327 2.237 0 1 IEAF Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)Nc1ccc(O)cc1 1857628451 HBUFFGAMCGKKTG-UHFFFAOYSA-N 436.497 2.089 0 1 IEAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NC[C@@H](O)CO)cc1 776918 BTFIJUCLWHEHFX-CQSZACIVSA-N 428.441 2.117 0 1 IEAF CSc1sccc1CN1CCN(c2nc(N)n3nc(-c4ccco4)nc3n2)CC1 13581786 SQYCMFDPNZUWLY-UHFFFAOYSA-N 428.547 2.467 0 1 IEAF O=C(O)Cn1c(=O)c2ccc(F)cc2n(Cc2ccc(Br)cc2F)c1=O 13649893 MGIFRJPLOBONOF-UHFFFAOYSA-N 425.185 2.337 0 1 IEAF CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc3c(c2)OCO3)CC1 28771629 IEOHIDQQDNWCFH-UHFFFAOYSA-N 425.416 2.309 0 1 IEAF C[C@H]1COCCN1c1nc(-c2ccc(NC(=O)NCCO)cc2)nc2c1COC2(C)C 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MPKZBFYOPOARMA-DDTUGOMQSA-N 441.505 2.231 0 3 IEAF C[C@H]1C[C@@H](C)CN(CCCNC(=O)[C@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 263592285 JUYUFPQHYYORJK-KSZLIROESA-N 448.637 2.366 0 3 IEAF Nc1nc(N2CCN3C[C@@H](COc4ccccc4)CC[C@H]3C2)nc2nc(-c3ccco3)nn12 13585801 UCYOUFWURNXRNU-IRXDYDNUSA-N 446.515 2.341 0 1 IEAF CO[C@@H]1C=C(CO)[C@@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@@H]2OC(=O)CC(C)C 14637927 LERLQQKAXDNEKW-OJWCNPDFSA-N 426.506 2.354 0 1 IEAF biogenic Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 95908245 DVSDZAFRLPIFCS-GIVPXCGWSA-N 438.590 2.268 0 1 IEAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)OC2 96937327 BXZCAVDRFWEBDU-XPMGFOTESA-N 449.456 2.083 0 1 IEAF Cc1cc(C)nc(N2C[C@@H]3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)C[C@H]3C2)n1 167214914 FSVYSEDKEGUOFP-GJZGRUSLSA-N 425.443 2.161 0 1 IEAF O[C@](CN1CCC(n2cc(C3CC3)nn2)CC1)(Cn1cncn1)c1ccc(F)cc1F 169353797 HLEHOGBYJSKKMC-OAQYLSRUSA-N 429.475 2.250 0 1 IEAF C[C@@]1(c2sc(-c3cncc(C#N)c3)cc2Cl)CS(=O)(=O)[C@@]2(CCOC2)C(N)=N1 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COC(=O)C1=C[C@H]2C[C@@H]1[C@@H](S(=O)(=O)c1ccccc1)[C@@H]2S(=O)(=O)c1ccccc1 17215303 HFPFDNPWRBBKBQ-IXMYUCAJSA-N 432.519 2.421 0 1 IEAF O=C(O)CC[C@H](NC(=O)c1ccc(Nc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O 17255028 JUIRKEQWLVRSKT-HNNXBMFYSA-N 438.396 2.119 0 1 IEAF N[C@H]1C[C@@H](CF)N(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)C1 29390777 RXTFUHOSQJMRKV-QWRGUYRKSA-N 436.365 2.377 0 1 IEAF O=C(COc1ccc(OCCNC[C@@H](O)COc2ccccc2)cc1)N1CCCCC1 29470816 RDGHKQPIFPHMSP-HXUWFJFHSA-N 428.529 2.486 0 1 IEAF Cc1ccccc1-c1nc(C(=O)N2CCC[C@@H]2C(=O)NCCCN2CCN(C)CC2)co1 82073135 XZTBHLOPXHOQDU-OAQYLSRUSA-N 439.560 2.008 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)CC1CCCCC1 95810248 ZIMKOTFORJXDIC-IPJJNNNSSA-N 435.613 2.315 0 1 IEAF CC[C@H](O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 116880595 JBVSQYZVCXMFCI-ZCNNSNEGSA-N 430.593 2.365 0 1 IEAF COC(=O)C(C)(C)NC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 473112247 BRVHNWGYUVERAJ-UHFFFAOYSA-N 425.441 2.148 0 1 IEAF COC(=O)C=C[C@H](O)[C@H](O)CCC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@@]12O 2356710907 YUXUTEAAGHFKKH-AWKLDAPCSA-N 449.588 2.268 0 1 IEAF S=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCOCC1)Nc1ccc(-n2cccn2)cc1 2356806857 AIFRDGZWBFFDTP-KNKQGSTJSA-N 440.617 2.201 0 1 IEAF NC(=O)COC[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 28018571 MKUZMWODXPJNGG-SFTDATJTSA-N 439.512 2.017 0 1 IEAF C[C@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3ccccc3F)c(=O)[nH]c2c1 28641878 AOLGZMJZRSLWPD-INIZCTEOSA-N 438.503 2.481 0 1 IEAF Cc1cnc(C)c(CCC2CCN(S(=O)(=O)CC3(N(O)C=O)CCOCC3)CC2)c1 71282028 QVHFARCMIMVLSZ-UHFFFAOYSA-N 439.578 2.070 0 1 IEAF NC(=O)c1ccc2cc(C(=O)N3C[C@@]4(CCN([C@@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 73240318 ATTQMMYACVSETC-CJAUYULYSA-N 429.524 2.233 0 1 IEAF COCc1ccc(Nc2cncnc2)c(C(=O)Nc2cc(-c3ccccn3)nn2CCO)n1 96167384 GOTMAOILGUWVLE-UHFFFAOYSA-N 446.471 2.265 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2 100065983 PSFYSFYPFBYYCS-LMNQUPHUSA-N 438.494 2.278 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCCc4ccccc4)C[C@H]3N2C1=O 169307829 NDDCPJCRNHYPEK-JELQSWKKSA-N 426.605 2.187 0 1 IEAF Cc1c(F)cncc1-n1c([C@H](C)Nc2nc(N)nc(N)c2C#N)nc2ccc(F)cc2c1=O 220865373 YFVVFUNHYABPSS-JTQLQIEISA-N 449.425 2.367 0 1 IEAF CCOC(=O)[C@H]1N(C(=O)OC(C)(C)C)CC[C@@]12N[C@H](C(=O)O)Cc1ccc(O)c(C)c12 963508419 KHNQZSZZJYEOAV-ORHBMQHOSA-N 434.489 2.067 0 1 IEAF COCCNCCC(=O)N[C@H]1c2ccccc2C[C@@H]1NC(=O)c1cc2ccccc2n1C 1857630976 ZJUYODJGAMVAAC-RDPSFJRHSA-N 434.540 2.316 0 1 IEAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@@H]12 25209403 JXHFZGCMKZHUFW-FPOVZHCZSA-N 431.448 2.285 0 1 IEAF biogenic N[C@H]1CCN(c2cc(C(F)(F)F)c3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C1 26182146 LCGHWAYOGJQMAS-QMMMGPOBSA-N 425.392 2.097 0 1 IEAF CCCN(CCC)S(=O)(=O)c1ccc(-c2nc3[nH]c(=O)n(CCC)c(=O)c3[nH]2)cc1 35984429 YUVZBZJZTFLAGW-UHFFFAOYSA-N 433.534 2.301 0 1 IEAF CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)O 36153338 NULRTLVWXFIIBM-PKOFMYQESA-N 444.528 2.157 0 1 IEAF CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@H](CO)O2)nn1 95906153 MMFQGAJZTXOTSF-IEZWGBDMSA-N 442.969 2.332 0 1 IEAF COc1cc(OC)c([C@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc1OC 104025417 PUTXBXDVZAKHSJ-KRWDZBQOSA-N 427.457 2.324 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614106 QTZAPEQOEMSYHR-OXTHUFEASA-N 432.450 2.090 0 1 IEAF CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1NC1COC1 1772610922 MVWHQECEJRYEAB-MRXNPFEDSA-N 448.886 2.118 0 1 IEAF O=C1O[C@@H](COC(=O)N2O[C@@H]3C=C[C@H]2CC3)CN1c1ccc(N2CCOCC2)c(F)c1 45389912 QIHOKWNYMSJTBL-USXIJHARSA-N 433.436 2.459 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C 95867910 NHANBWHFHPMELO-VTJXTGGHSA-N 431.533 2.388 0 1 IEAF CCN(CCNC(=O)C1CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F 146840297 QMNZVIMRMTZVMS-UHFFFAOYSA-N 440.519 2.367 0 1 IEAF CCCS(=O)(=O)N1CCN([C@]2(CNC(=O)c3c(F)cccc3F)C[C@@H]3C[C@@H]3C2)CC1 261141021 NBSHHMOAKVDMBL-JIPZTSHUSA-N 441.544 2.221 0 1 IEAF CS(=O)(=O)CC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(O)c2[nH]1 586937641 SHAGDKSFUVRXKZ-AWEZNQCLSA-N 443.934 2.376 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)CC2CCCCC2)OCc2cnnn2CCCC1=O 61945432 OPQMCYKWZYLZJV-DXIQSLLYSA-N 435.613 2.315 0 3 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@@H]3c4ccccc4N[C@H]3C2=O)CC1 40938333 GZRHSNKERQYZPU-KNXBSLHKSA-N 435.528 2.293 0 1 IEAF CCN1C(=O)[C@@H]2[C@H](N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12 40938403 UJWIAPHNKMQZCP-YQFWSFKMSA-N 432.322 2.148 0 1 IEAF O=C(CN1CCC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCCC1 73170139 AMUBLNMPUKQVFI-IBGZPJMESA-N 449.960 2.385 0 1 IEAF CC(C)[C@@H]1Cn2c(c(NCc3cccc(C(=O)O)c3)c(=O)n(Cc3ccncc3)c2=O)N1 82206484 XEHIDMFJSXYOPN-SFHVURJKSA-N 435.484 2.214 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@H](C)CO)c1 82208107 IFZMBKLJAHITIY-PBEJRMEISA-N 448.560 2.381 0 1 IEAF O=C(Cc1ccccn1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccc(F)cc3)nn2)O[C@@H]1CO 95796882 PETJRAXOHATFKA-TUNNFDKTSA-N 439.491 2.137 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3cccc(-n4ccnc4)n3)cc2Cl)CS1(=O)=O 219607598 RVJGXFQMEGVSJN-KRWDZBQOSA-N 436.950 2.454 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@H]2[C@H]1C(=O)O 261145716 NULRTLVWXFIIBM-XLSIIYIISA-N 444.528 2.157 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2nccc(Br)c2[nH]1 587180112 MLICNBKJKDSIBK-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF COc1c2c(cc(CCN(C)C(C)=O)c1[C@H]1N[C@H](C(=O)O)Cc3cc(F)ccc31)OCO2 962912927 PNSXRUXVJORPFN-PXNSSMCTSA-N 444.459 2.272 0 1 IEAF COc1cc(CCn2cncc(-c3ccccc3S(=O)(=O)N(C)C)c2=O)cc(OC)c1 1857545881 OQNAIBGXOBFHOT-UHFFFAOYSA-N 443.525 2.421 0 1 IEAF NS(=O)(=O)c1cc(C(=O)NCCO)c(SC2CCCCC2)cc1Br 1857592464 MOQPYUBNCWCUAP-UHFFFAOYSA-N 437.381 2.243 0 1 IEAF CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(=O)N[C@H](CO)Cc1ccccc1 1857604733 FAQLONFFUNJXMM-WDSOQIARSA-N 435.565 2.150 0 1 IEAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H](NC3CCN(C)CC3)CN(C)C(=O)C2)cc1 2356388908 XREJMXZXGBRPJD-CTNGQTDRSA-N 430.593 2.012 0 1 IEAF O=C(O)C[C@H](NC(=O)[C@H](Cc1cccs1)NC(=O)OCc1ccccc1)C(=O)CF 28262652 SHUHOTDRDJCOAN-HOTGVXAUSA-N 436.461 2.084 0 1 IEAF COc1cc2nc(NCCCN3CCN(C)CC3)nc(NC[C@@H]3CCCO3)c2cc1OC 82125038 KQRCKXVPJCIJSD-KRWDZBQOSA-N 444.580 2.287 0 1 IEAF O=S(=O)(N[C@@H]1CC[C@H](CCn2cc(C3CC3)nn2)O[C@H]1CO)c1ccc(Cl)cc1 95906242 RHJXOCKIMUYHPK-SUMDDJOVSA-N 440.953 2.086 0 1 IEAF COc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1OC 299885204 VBRLRGVQIGEWOV-INMHGKMJSA-N 433.530 2.062 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cc2cnn(-c3ccc(F)cn3)c2)c1 1772603488 NCKZYCBDYGDFRC-OAQYLSRUSA-N 433.447 2.337 0 1 IEAF COc1cc(O)c2c(c1Br)C=CC[C@H](O)[C@H](O)[C@H](O)C=CC[C@H](C)OC2=O 2356720577 CXOUKSOPSSXCMZ-WRRPDLTESA-N 443.290 2.155 0 1 IEAF O=C(Nc1ccccc1)[C@@H]1O[C@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC[C@@H]1O 2356874121 YSTPRJLNCYNSRM-YQMJZVOBSA-N 437.540 2.205 0 1 IEAF Cc1nc2ccc(S(=O)(=O)N(C)CC(=O)NCc3ccc4c(c3)OCO4)cc2s1 4143106 USLITTMOOGCIMQ-UHFFFAOYSA-N 433.511 2.270 0 3 IEAF O=C1NC[C@H](c2ccccc2)CC[C@H]1NC(=O)N1CCC(n2c(=O)[nH]c3ncccc32)CC1 28827313 QLDGTBFTXTWRGN-IEBWSBKVSA-N 448.527 2.134 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCc3cn[nH]c3)c2c1=O 115626381 CORSXNSLLJXUJE-UHFFFAOYSA-N 432.484 2.177 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2cnc(Br)cc2[nH]1 587180148 NKUROAZLAOYQMZ-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF CN1C(=O)C[C@@H]2CN[C@@](c3ccc(N4CCNCC4)nc3)(C(F)(F)F)c3cccc1c32 963022256 IJDFULMVACHKID-SPLOXXLWSA-N 431.462 2.350 0 1 IEAF CC(=O)O[C@@H]1C[C@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@@]2(C)[C@@H]1C(C)(C)OC(=O)C[C@H]2O 2356322905 DCBOVTYJTWXJGH-SLNMJRJASA-N 434.485 2.302 0 1 IEAF COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)n3ccccc3n1)C2=O 607071 WJKDDFQDTJPDGR-UHFFFAOYSA-N 429.454 2.008 0 1 IEAF O=C1[C@@H]2[C@H](C(=O)N1CCCCN1CCN(c3ccc(Cl)nn3)CC1)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12 13603582 VUPXZFYWVQJPTN-SIAAZYSWSA-N 441.963 2.085 0 1 IEAF COc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N23)c1OC 26771954 NTPDEYXVKIHSHI-XXBNENTESA-N 449.507 2.252 0 1 IEAF biogenic CC[C@@H]1CCCCCC[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@@H](C)C(=O)NCCC1 28965816 XKCKFIWDRHTTCA-HWEDCQLKSA-N 428.614 2.339 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4N(C)[C@@H]3C2=O)CC1 58553309 JVIAJLYNNPKZAI-GOTSBHOMSA-N 449.555 2.319 0 1 IEAF CO[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(NC5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 66262447 RQOXEYZWZIVIQI-DSQUMVBZSA-N 428.361 2.168 0 1 IEAF CCOc1ccc(Nc2nc3cc(C(=O)N[C@@H](C)C(N)=O)ccc3n2CCCO)cc1 82191176 PREIYFWRUYRONT-AWEZNQCLSA-N 425.489 2.165 0 1 IEAF CCCCO[C@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82219331 UZHUMYVNAXQYRV-KEYYUXOJSA-N 442.940 2.254 0 1 IEAF C[C@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 95881243 OLYMEMHCGHYHMA-OLHFQXMRSA-N 430.508 2.039 0 1 IEAF O=C1C[C@@](Cc2ccccc2)(c2cccc(OCCNS(=O)(=O)CC3CC3)c2)CN1 114247501 OSKPYFWBFJONLR-HSZRJFAPSA-N 428.554 2.395 0 1 IEAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1N1CC[C@H](c2ccccc2)C1 150042753 PHLGXWORPVBJPM-UNMCSNQZSA-N 442.519 2.471 0 1 IEAF CCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(N)cccc3Cl)CCCCC2)CC1 199070271 XLPLEAILERYARF-UHFFFAOYSA-N 443.013 2.322 0 1 IEAF N#Cc1cc(-c2ccnc(Nc3cnc(N4CCOCC4)nc3)n2)cnc1N1CC[C@H](F)C1 221323685 WNXFWGQRXDTJEX-KRWDZBQOSA-N 447.478 2.329 0 1 IEAF C=CC(=O)Nc1ccc(Cn2nc(-c3cc(C(C)(C)O)n(C)n3)c3c(N)ncnc32)cc1 1857618177 QABNFVLDHYFJJP-UHFFFAOYSA-N 432.488 2.209 0 1 IEAF COc1ccc(CNC(=O)[C@@H]2CCC[C@H](NC(=O)c3cccnc3)CN(C)C(=O)C2)cc1 2356299028 RRSUHTQSNLSKSZ-QUCCMNQESA-N 438.528 2.154 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 2356413503 ZCTHOTXPRNWRNQ-MNVUWJFMSA-N 426.513 2.138 0 1 IEAF COC(=O)C1=Cc2cc(OC)c(O)c(OC)c2[C@@H](c2cc(OC)c(O)c(OC)c2)[C@H]1CO 2356432548 FEBCHZLGVMTRAM-KSSFIOAISA-N 446.452 2.443 0 1 IEAF C[C@H](O)[C@H](O)C=Cc1cccc(O)c1CO[C@H](C=Cc1cccc(O)c1CO)[C@@H](C)O 2356563951 GMFSMTQDXLWFSS-QWHNSYKWSA-N 430.497 2.324 0 1 IEAF O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)N1CCN(c2ccccn2)CC1 6577378 CVFWMSRKARBRNS-UHFFFAOYSA-N 440.507 2.126 0 3 IEAF O=C(Cc1ccc(NC2=N[C@H]3CS(=O)(=O)C[C@H]3S2)cc1)NCc1ccc(F)cc1 9860456 LXOVAWLUEYTHMQ-ZWKOTPCHSA-N 433.530 2.365 0 1 IEAF CC[C@H]1CCCCCC[C@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@@H](C)C(=O)NCCC1 28965822 XKCKFIWDRHTTCA-LKRNETLMSA-N 428.614 2.339 0 1 IEAF in-vitro COC(=O)/N=c1/[nH]c2ccc(S(=O)(=O)NCc3ccc(Br)cc3)cc2[nH]1 84605068 XTZIBKXJLYCYAZ-UHFFFAOYSA-N 439.291 2.404 0 1 IEAF Fc1cccnc1Nc1ncc(-c2cnc3ccc(NCCN4CCOCC4)nn23)cn1 146122374 AWBZWMFDDAZDBC-UHFFFAOYSA-N 435.467 2.208 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4cccc(C)c4)C[C@H]3N2C1=O 169312369 AVBZMSWFBFFJGJ-JELQSWKKSA-N 426.605 2.106 0 1 IEAF Cc1cc(C)n2nc(C(=O)NS(=O)(=O)c3c(C)cccc3OC(F)(F)F)nc2n1 169342520 QYLLDHFWLPHBMT-UHFFFAOYSA-N 429.380 2.067 0 1 IEAF C=c1[nH]n(-c2ccc(C(=O)O)cc2)c(=O)/c1=C\c1ccc(OC(=O)c2cccs2)cc1 169689834 UEEDZBASIYYEAR-UYRXBGFRSA-N 432.457 2.384 0 1 IEAF CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@]2(F)CO[P@](=O)(OCC)O[C@H]2[C@@]1(C)F 209649133 ZLRUPGRNZYVYCH-XJLNUVEXSA-N 435.324 2.290 0 1 IEAF CCN1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@@H]6[C@@H](OC)C[C@](OC)([C@@H](C[C@H]23)[C@@H]14)[C@H]5[C@H]6O 255209538 FNFJKGHXFUWFRN-YNLINXDKSA-N 435.605 2.185 0 1 IEAF Cn1cnc(S(=O)(=O)N2C[C@@H]3CC[C@H](NC(=O)c4ccccc4C(F)(F)F)[C@H]3C2)c1 261107312 HNZDIBUMTJVUGG-NOLJZWGESA-N 442.463 2.268 0 1 IEAF NS(=O)(=O)c1ccc2nc(-c3ccc4ncc(I)n4c3)[nH]c2c1 587187132 CQZUHFMAUKKGOV-UHFFFAOYSA-N 439.238 2.130 0 1 IEAF CCOC(=O)[C@H]1CN(Cc2cccs2)C(=O)[C@]12Oc1cc(OC)cc3c1C(=O)[C@H]2C3 587450897 LQYWLGXEUWSPEH-XCGNWRKASA-N 427.478 2.465 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)Oc1c(O)ncc2c1O[C@@H]1[C@H](O)[C@]2(O)CC[C@H]1O 2356323139 IVQSLLHVPILGQY-KNYABWLFSA-N 445.512 2.031 0 1 IEAF Oc1ccc(CCCC[C@H](CCc2ccc(O)cc2)O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)cc1 2356473580 JZCRGGLJUHEQBR-BAHGYDIPSA-N 432.513 2.268 0 1 IEAF CC(=O)O[C@@H]1[C@H]2[C@H](O)[C@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](O)CC[C@@H](C)[C@@]13OC2(C)C 2356735420 WAQIWFFEZIMVBD-DHHFBBIGSA-N 432.513 2.479 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCCC1 1380859 MTXGZVVJWPJPOQ-JREFGXEFSA-N 443.588 2.443 0 1 IEAF CCCn1c(=O)c2nc(-c3ccc(OCC(=O)NCCN)cc3)[nH]c2n(CCC)c1=S 29556253 JBLZGFXGTRVIRM-UHFFFAOYSA-N 444.561 2.196 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc34)[C@@H]2SC1 40434342 ZMOWOBXWTQPZDP-XNJGSVPQSA-N 437.930 2.313 0 1 IEAF CCCCc1ccc(Cc2nc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1 58554852 XUFBLLMWNQSVAQ-UYTYNIKBSA-N 427.950 2.245 0 1 IEAF O=c1n(-c2ccccc2Cl)cnn1C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 72175029 FDEJCFYENSNKOM-LJQANCHMSA-N 432.818 2.145 0 1 IEAF O=C(Cc1ccncc1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95675260 WUPYLLMMUFNJPD-PIPMEXSNSA-N 439.491 2.137 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95901652 KRQAAGOFZVBHDO-PMSBSAKUSA-N 445.560 2.020 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3ccc(-n4nccn4)cc3)cc2Cl)CS1(=O)=O 219607703 HNYOADSNRQLYMD-KRWDZBQOSA-N 436.950 2.454 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3C[C@@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)cc1 299814215 NSKRXGIBHQDJKC-ZCNNSNEGSA-N 430.464 2.002 0 1 IEAF CCN(CC)C(=O)c1c(NC(C)C)c2cccnc2n2c(CN3CCOCC3)nnc12 299827672 QEDROZRAHUKQAK-UHFFFAOYSA-N 425.537 2.412 0 1 IEAF C[C@]12CC[C@@](O)([C@@H](O)CO)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C3=CC(=O)OC3)CC[C@]12O 299847184 WBKRWWJQTKCVDR-LEJCOKOJSA-N 434.573 2.328 0 1 IEAF O=C(NC[C@@](O)(Cn1cncn1)c1ccc(F)cc1F)c1cc2ccccc2nc1O 1857555475 HBOSKNYZZPMASY-OAQYLSRUSA-N 425.395 2.128 0 1 IEAF COc1c(N2CCNCC2)c(F)cc2c(=O)c(C(=O)N3CCSC3)cn(C3CC3)c12 1911581469 AIVMJQJMTWRDOK-UHFFFAOYSA-N 432.521 2.040 0 1 IEAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356300681 LNXQCVQCDKRBBC-ZCNNSNEGSA-N 431.533 2.160 0 1 IEAF CC(C)C[C@H](NC(=O)Cc1cccs1)C(=O)N[C@H]1C(=O)N(C)N=Cc2ccccc21 3980193 FQJSJLGCMZSZQJ-AZUAARDMSA-N 426.542 2.485 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3C=C[C@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)cc1 5842541 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CC(C)Cn1c(N)c([C@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587756355 DFHDUXPDQATQKW-HWPZZCPQSA-N 439.329 2.310 0 1 IEAF CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3cccc(F)n3)[C@@H]2N2C1=N[C@@H]1CCC[C@@H]12 653697700 UCSMYZDJTKGADG-LLGFUMIMSA-N 433.491 2.255 0 1 IEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(O[C@@H]3C[C@H]12)C(=O)Nc1cc(OC)c(OC)cc14 2356414036 DMXXRTAVQXGQOV-RMXMNDJJSA-N 444.484 2.011 0 1 IEAF O=C1[C@@H]2[C@@H]3C=C[C@@](CNS(=O)(=O)c4ccccc4)(O3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 3061458 YGAKRXYRDKCSCD-NYUBLWNDSA-N 444.896 2.132 0 1 IEAF CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@@H](C(=O)O)[C@@H](C)CC)ccc12 15956374 MAADTXLXEYXYCO-YEJXKQKISA-N 446.500 2.164 0 1 IEAF biogenic N[C@@H]1CCC[C@@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3ccc(O)cc3)C[C@@H]21 28459516 QMNNRUMKKHRGLV-RNRVQEDPSA-N 438.459 2.492 0 1 IEAF CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)N1CCCCC1 82084268 UXGNAJDIASLUGA-HNNXBMFYSA-N 436.559 2.341 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccc(F)cc1 95886755 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2356756838 SZHZUFRUQWLKNX-KFKAGJAMSA-N 425.522 2.338 0 1 IEAF CC(C)(NC(=O)c1cc2cc(C(=N)N)ccc2[nH]1)C(=O)N[C@H](CC(=O)O)c1ccccc1 13776102 ZPBBMIQPUPGRMR-QGZVFWFLSA-N 435.484 2.293 0 1 IEAF C[C@H](c1nc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)no1)[C@H](N)C(=O)N1CCCC1 14948428 RBNFQFGZRDJXCB-GWCFXTLKSA-N 432.424 2.083 0 1 IEAF Cc1nnc(N2CCC[C@H](C(=O)N3CCN(C)CC3)C2)c2nn(-c3ccccc3)c(C)c12 20564697 KLUNOTVFXRFTPV-IBGZPJMESA-N 433.560 2.423 0 1 IEAF CC(C)C[C@H](CSCC(=O)O)NC(=O)[C@H]1C(=O)CCN1C(=O)OCc1ccccc1 28009706 ZLVZBQCDUHFVII-VQIMIIECSA-N 436.530 2.315 0 1 IEAF Nc1nc2c(cnn2CCN2CCN(c3ccccc3F)CC2)c2nc(-c3ccco3)nn12 28891797 GOGLCSDPHFNNNE-UHFFFAOYSA-N 447.478 2.278 0 1 IEAF CCOC(=O)c1cnn(C[C@H](O)CC)c1NC(=O)N1CCN(Cc2ccccc2)CC1 40878615 LWFRWCHJRJAEAU-GOSISDBHSA-N 429.521 2.180 0 1 IEAF CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCN(C)C)cc2)nc1 45495462 VDMDJOLMMKEIRQ-UHFFFAOYSA-N 437.543 2.285 0 1 IEAF CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)N[C@H]1CCCc2ccccc21 59201485 UZKQKLOUKVAGDI-NXQKYAITSA-N 442.604 2.310 0 1 IEAF COC(=O)C1=C(C(=O)OC)[C@H]2N(C)c3ccccc3[C@@]23CCC(=O)N(CC(C)C)C3=N1 66138525 CSLNUURQFOEPKF-XXBNENTESA-N 425.485 2.033 0 1 IEAF COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO 82208478 AXQFQXGWVHHFIC-DZFGPLHGSA-N 432.561 2.301 0 1 IEAF O=C(Nc1nccs1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)C1CCCCC1 95866939 GMONKMWVHNHXHR-JZGRTCEGSA-N 442.541 2.014 0 1 IEAF CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1Cc2ccccc2C1 95880602 PWGDIRBFRLAFHF-VLYJIQRVSA-N 445.563 2.293 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 100287832 LRERTOYOIGJSAU-AZXNSQLWSA-N 433.533 2.472 0 1 IEAF C[C@@H](NC(=O)C1CCC(C/N=c2\c(N3CCOCC3)c(O)c2=O)CC1)c1ccccc1 102788722 SBEIQFJWFLMKDS-PSBSZKCYSA-N 425.529 2.049 0 1 IEAF C[C@H]1CC[C@@H](C)OC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)C1=O 2356484116 JFXPTGJYLLVAFU-VYMYIBDJSA-N 428.529 2.272 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 2356485126 UEPZAGOCXMHAIE-HPCCJCSGSA-N 428.529 2.156 0 1 IEAF COC(=O)[C@@]1(Cc2ccc(O)c(C[C@@H](O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccccc1 2356808403 YTHUMKQTFJDAHM-KOSHJBKYSA-N 442.464 2.047 0 1 IEAF COC(=O)CN(C(=O)N1CCOCC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1 13682642 NEWPTCPRMDJVLE-UHFFFAOYSA-N 444.328 2.430 0 1 IEAF O=C(CNS(=O)(=O)c1cccc2ncccc12)N1CCN(c2ccccc2F)CC1 28705046 VVGDALNRAPAUGX-UHFFFAOYSA-N 428.489 2.001 0 1 IEAF CN(C(=O)c1ccccc1)c1ccc2c(c1)nc(NC(=O)c1cocn1)n2CCC(N)=O 40936014 IJAHGFUMVAVXQM-UHFFFAOYSA-N 432.440 2.429 0 1 IEAF COCC(=O)N[C@@H]1CCN(c2nc(NCc3ccco3)c3cc(OC)c(OC)cc3n2)C1 82119880 JHSYNMJVJQEYAP-CQSZACIVSA-N 441.488 2.193 0 1 IEAF CC1(C)c2cc(N3CCN(S(N)(=O)=O)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 114800210 RWBIFVCQINUOHU-UHFFFAOYSA-N 449.536 2.235 0 1 IEAF COC(=O)/C=C/C(=O)N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169289882 ZHBOGKMSNKELPI-FOOSHTOLSA-N 438.524 2.055 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1ccc(N3CCN(C)CC3)c(S(C)(=O)=O)c1)O2 587407667 BJMNAPNLRVMPDT-HXUWFJFHSA-N 429.542 2.439 0 1 IEAF CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12 653846540 MYDNGJJMDNKGDJ-UHFFFAOYSA-N 429.424 2.476 0 1 IEAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1N1CC[C@@H](c2ccccc2)C1 1772605583 PHLGXWORPVBJPM-IFMALSPDSA-N 442.519 2.471 0 1 IEAF O=c1cc(N2C[C@@H]3C[C@H]2CO3)nc2n1CC[C@H](C(F)(F)F)N2CCC1CCOCC1 1772652147 VKLNFKDGJLODJH-HRCADAONSA-N 428.455 2.179 0 1 IEAF O=C(C[C@H]1CCNC[C@@H]1Cc1cc(CN2CCOCC2)on1)N1CCc2ccccc2C1 2356844902 NZNGRQWJSHPNBG-IRLDBZIGSA-N 438.572 2.250 0 1 IEAF COc1ccc(CC2(CO)CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)cc1 13659396 DETYQWPXGOFVMD-UHFFFAOYSA-N 427.954 2.396 0 3 IEAF O=C1CN(S(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2cnccc2[nH]1 13493289 OTVJALKAUIMVDT-UHFFFAOYSA-N 427.511 2.206 0 1 IEAF COc1ccccc1N1CCN(C[C@@H](O)COc2ccc3c(c2)NC(=O)CS3)CC1 27524973 QXTUOYRGOXEKPL-MRXNPFEDSA-N 429.542 2.301 0 1 IEAF Cn1cc(C2=C(c3cccc(NC[C@@H](O)CO)c3)C(=O)NC2=O)c2cc(Cl)ccc21 49036331 ZFJJSMUJXGVEEW-OAHLLOKOSA-N 425.872 2.164 0 1 IEAF CCOc1ccccc1/C=C/C(=O)N1C[C@@H](OCc2ccccc2)C[C@@H]1C(=O)NCCO 82192435 WVGUHAAIKTWYJD-JSJGNVMISA-N 438.524 2.393 0 1 IEAF CC(=O)N[C@H]1CCN(C(=O)[C@H]2C[C@H](OCC3CCCCC3)CN2C(=O)c2ccco2)C1 82211208 WTQXONXIXYSYEE-SLFFLAALSA-N 431.533 2.197 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1[C@@H](C)CC 82235471 IYEMEHUPTVQDQS-YYWHXJBOSA-N 444.576 2.113 0 1 IEAF Cc1ccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 95834382 XSAFYGBYABXFOO-TXTKFYIRSA-N 443.592 2.243 0 1 IEAF Cc1c(Nc2ccc(I)cc2F)c2c(=O)[nH]cnc2n(C)c1=O 96167555 YYIJQLXUSZWHSA-UHFFFAOYSA-N 426.189 2.418 0 1 IEAF COc1ccc(-c2noc3ncn(-c4ccc(N5CCOCC5=O)cc4)c(=O)c23)cc1OC 299858733 GSVIGBNKQPBQIU-UHFFFAOYSA-N 448.435 2.421 0 1 IEAF Cn1nc(-c2nc3ccnc(Br)c3[nH]2)c(I)c1C(=O)O 587180354 OXAIRXRRVVUCJP-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C(CN3CCOCC3)OCC2=O)N1 587769299 AHTNCOMGSOJWBB-HXPMCKFVSA-N 425.298 2.133 0 1 IEAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@@H](CN(CC)Cc1ccc3ccccc3n1)N2CC 618015008 LNJHEFMLJFIKQX-FSSWDIPSSA-N 438.576 2.355 0 1 IEAF Cc1cccc(OC[C@@H]2C[C@H](NC(=O)Nc3cccc(-c4noc(C)n4)c3)[C@@H](O)[C@H]2O)n1 2356289880 CPAULDDPMOINFY-LWCVALJOSA-N 439.472 2.059 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4[C@H]5O[C@@H]6CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@]2(C)CC1 2356541906 PFEUDVXDBIGBBP-QUPOKXKYSA-N 446.540 2.002 0 1 IEAF CC(=O)N[C@H]1Cc2cn(c3ccccc23)C(=O)c2ccccc2NC(=O)[C@H]2CCCN2C1=O 2356717902 YFQDVXKEMBYFSU-RBBKRZOGSA-N 444.491 2.320 0 1 IEAF COc1cc2nc(N3CCN(C(=O)CC(=O)c4ccccc4)CC3)nc(N)c2cc1OC 600636 PXWNTBGUQKWMOQ-UHFFFAOYSA-N 435.484 2.151 0 1 IEAF O=C(CN1CCCC1)Nc1ccc(Cc2ccc(NC(=O)CN3CC[C@H](O)C3)cc2)cc1 66078422 AVHORHSPKPWCEO-QHCPKHFHSA-N 436.556 2.317 0 1 IEAF Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCS(C)(=O)=O)c2n1 72317522 SPPGXADLGWQNLS-UHFFFAOYSA-N 448.980 2.252 0 1 IEAF COc1ccc(F)c(F)c1CNc1nc(Cl)nc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H]2C[C@@H]21 84603376 ZTHDCGJVQBMLSZ-NZJDXAQUSA-N 437.834 2.291 0 1 IEAF COc1ccc([C@H]2[C@@H](C(=O)c3cccs3)C(=O)C(=O)N2CCCN2CCOCC2)cc1 100283643 PFDPVMYUGXCFLW-PMACEKPBSA-N 442.537 2.431 0 1 IEAF CCOCC[C@]1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)[C@@H](N)C1=O 101013242 BGEFVHSKSARWDE-LAUBAEHRSA-N 432.860 2.229 0 1 IEAF COc1cccc(-n2c(SCC(=O)NC[C@H]3CCCO3)nc3nnc(C)c-3c2N)c1 103623131 KHINFEDTLXDETD-OAHLLOKOSA-N 428.518 2.054 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cnccc4[nH]3)cccc12 586938889 ZFOOBGOJCNAZEE-MRXNPFEDSA-N 438.513 2.072 0 1 IEAF O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)c1csnn1 621478561 ZDEMRLQYBKCRJN-UHFFFAOYSA-N 435.469 2.289 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(Nc5cc(OC)c(OC)cc5C4=O)[C@@H]3C[C@H]12 32296581 BSQCYJALKUSFFD-GCIZAMGCSA-N 428.485 2.237 0 1 IEAF O=c1[nH]c2c(O)ccc([C@@H](O)CNC3CCN(CCN4CCCCCC4)CC3)c2s1 58639174 IOLKJYXGPMBTTR-IBGZPJMESA-N 434.606 2.259 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 95903986 PJLYZSQZMHURAL-NJYVYQBISA-N 438.590 2.101 0 1 IEAF O=c1ccn(COCCCS(=O)(=O)C[C@@H](c2ccccc2)c2cccc(F)c2)c(=O)[nH]1 96172736 BCRBLOFKAYPUHC-FQEVSTJZSA-N 446.500 2.287 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2c(S)nc(S)nc2[nH]1 586946486 QUBXCOVBZJKAFJ-SNVBAGLBSA-N 437.572 2.363 0 1 IEAF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(Br)c2N)c1OC 587937302 POZAAOOTUJGJMU-UHFFFAOYSA-N 427.251 2.269 0 1 IEAF C[C@@H]1CN(c2nc(-c3cnc(N)c(OC(F)F)c3)cc(N3C[C@@H]4C[C@H]3CO4)n2)C[C@@H]1F 653755633 DIEMOAODDWNPGF-SAXRGWBVSA-N 436.438 2.494 0 1 IEAF CC(C)(C)OC(=O)N1CC[C@H](O)C[C@]2(C1)N[C@@H](C(=O)O)Cc1c2cnc2ccccc12 963228760 IWPCAVUQFYKXTE-LEDSTXDGSA-N 427.501 2.421 0 1 IEAF O=C1[C@@H]2CCC(=O)N2Cc2ccccc2N1CCCCCN1CCN(c2ncccn2)CC1 1857651294 RSLLJMZJIKOYIN-QFIPXVFZSA-N 448.571 2.307 0 1 IEAF CCO[P@](=O)(CCCNC(=S)SC[C@H](NC(C)=O)C(=O)O)c1ccccc1 1857769268 MMFIZIBJJQLMCE-ODCWNRFASA-N 432.504 2.214 0 1 IEAF CC(C)C[C@@H]1NC(=O)[C@H](C)N(C)C(=O)[C@H](Cc2ccccc2)NCCCCCCNC1=O 1911585064 GROWYWNSEBTFPN-BVSLBCMMSA-N 444.620 2.255 0 1 IEAF COc1cc([C@H](O)[C@@H]2C(=O)OC[C@@H]2Cc2cc(OC)c3c(c2)OCO3)cc(OC)c1O 15272076 JUFCGVIVUSQKEM-BKTGTZMESA-N 432.425 2.212 0 1 IEAF biogenic Cn1cc(C2=C(c3cccc(NC[C@H](O)CO)c3)C(=O)NC2=O)c2cc(Cl)ccc21 49036329 ZFJJSMUJXGVEEW-HNNXBMFYSA-N 425.872 2.164 0 1 IEAF O[C@@H]1CCN(C/C=C/I)C[C@H]1N1CCN(c2ccccc2)CC1 58558384 VRYCGFIQYQENPX-PLDKWVJVSA-N 427.330 2.193 0 1 IEAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@@H]1CCCC[C@@H]1C1CCCCC1 95552889 JLSBUFBFRHJMEC-UNBXWCMQSA-N 427.626 2.462 0 1 IEAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(-c3ccncc3)cnc2O[C@H]1CN(C)C(=O)C1CC1 95702093 UWLQZULUNAYBPK-MRUHUIDDSA-N 438.528 2.232 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2CC2CCOCC2)O1)NCC1CCCCC1 95884906 RGZNDINNLTYFNJ-GPJHCHHRSA-N 438.609 2.109 0 1 IEAF O=C1CC[C@@]23/C=C/C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@H]3C1 169294973 YIWJEBPTHXRHQF-UELDRTOMSA-N 437.540 2.014 0 1 IEAF Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@H]3COc4ncccc4O3)nc2=O)cn1 220173543 MASQJQGPSQJCKU-SFHVURJKSA-N 443.463 2.481 0 1 IEAF CCOC(=O)c1cc(Br)c2[nH]c(CS(=O)(=O)Cc3ccnn3C)nc2c1 586921690 LETQWYGMSIAYCI-UHFFFAOYSA-N 441.307 2.351 0 1 IEAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587222290 SKDRJQSDXOMVEM-GOEBONIOSA-N 426.429 2.179 0 1 IEAF CC[C@H](O)[C@@H]1CCC[C@@]23C=C[C@@H](C=C4OC(=C5OC(=O)C(CO)=C5OC)[C@@H](C)[C@@H]42)CN13 2356504855 HPWNQJWDZBXQIY-PZKOEWKUSA-N 429.513 2.378 0 1 IEAF CS(=O)(=O)c1ccc(OCC2(CNCc3ccc(F)c(F)c3)C[C@@H](O)[C@H](O)C2)cc1 2356738675 ZTYXOYCGBZCSRS-WOJBJXKFSA-N 441.496 2.039 0 1 IEAF O=C1NC[C@@H](COc2c(Br)cc([C@@H]3CNC(=O)O3)cc2Br)O1 13450700 ZAXCQPPMIUFZFV-XVKPBYJWSA-N 436.056 2.480 0 1 IEAF biogenic Nc1nc(NC[C@H]2CCCN2Cc2ccnc(Cl)c2)nc2nc(-c3ccco3)nn12 13612545 VVMVEYXYKWDARP-CYBMUJFWSA-N 425.884 2.486 0 1 IEAF CCN1[C@@H]2c3ccc(-c4ccc(F)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 95866976 VKEJZVWFPAYPDI-KRXUUXHPSA-N 425.504 2.307 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC3CC3)N(CCC(F)(F)F)[C@@H]21 95880452 IXZHQFFJDPVJBM-BYJUCRLMSA-N 439.478 2.324 0 1 IEAF CNC(=O)c1cc(NC(C)=O)ccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 169701887 NOUAWRURFSBJAD-UHFFFAOYSA-N 446.471 2.458 0 1 IEAF Cc1c(-c2nc(C(=O)Nc3cnn(C)c3[C@@H]3CC[C@@H](N)[C@H](F)CO3)cs2)cnn1C 205635439 TZJKZFMKFJXNHB-IOASZLSFSA-N 433.513 2.355 0 1 IEAF CCNC(=O)c1ccc(CSc2cccc3c2CN([C@@H]2CCC(=O)NC2=O)C3=O)cc1 1857599303 WULSTSSJYLCSNT-GOSISDBHSA-N 437.521 2.490 0 1 IEAF CC[C@@H]1[C@@H]2OC(=O)[C@H](C)[C@@H]2[C@]23C[C@H]([C@@H]4C[C@H](C)C(=O)O4)N4CCCC[C@@H]1[C@]42NC(=O)O3 2356511159 ZRPFHBLJEQEGMA-VIMXOBJMSA-N 432.517 2.205 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cc(C)cc(C)c2)cc1 61904783 MSXQKPMNHZXCOI-QFIPXVFZSA-N 430.526 2.351 0 3 IEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 3534270 NWSJRKVKWADPHV-CRJCFHLZSA-N 443.916 2.496 0 1 IEAF C[C@@](O)(C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](N)C2)cc1Cl)C(F)(F)F 13808751 DMOZBAPKYVVXQZ-FEUHOPSXSA-N 443.875 2.140 0 1 IEAF COCC(=O)N[C@@H]1CO[C@@H]2[C@@H](OC(=O)Nc3ccc(Oc4ccccc4)cc3)CO[C@H]21 25227331 VCNOHIRUTREEQY-YXYSEUPNSA-N 428.441 2.325 0 1 IEAF biogenic CC(=O)NN1C(=O)C(Cc2ccccc2)=NN2C1=NN(C(C)=O)[C@]2(C)c1ccc(C)cc1 84619640 ZNVJHHHHUBEZLP-QHCPKHFHSA-N 432.484 2.095 0 1 IEAF Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCN(Cc4nonc4C)CC3)c2[nH]1 95559989 VIDAYUVZSUVENI-UHFFFAOYSA-N 427.900 2.334 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888688 NPBHNGVMTQKIGK-IEZWGBDMSA-N 432.521 2.125 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CC[C@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]12 95914787 QIZNWMMOECVGAP-FAQMFCICSA-N 428.485 2.080 0 1 IEAF biogenic,in-vitro CN1CCN(Cc2ccc(C(=O)Nc3sc(-c4ccncc4)nc3C(N)=O)cc2)CC1 149915506 JQSSJNGHYKCXQI-UHFFFAOYSA-N 436.541 2.304 0 1 IEAF Cc1ccc(-c2n[nH]c3cnc(-c4cccnc4)cc23)nc1N1CC(N2CCNC(=O)C2)C1 205251658 ORKXPOXUBRTFPU-UHFFFAOYSA-N 440.511 2.011 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4cncs4)o3)cc2Cl)CS1(=O)=O 209015163 CFIPNTQIGNAOLU-AWEZNQCLSA-N 444.951 2.380 0 1 IEAF CCCC(=O)N[C@H](Cc1ccc2cc(OCCCN3CCNCC3)ccc2c1)C(=O)O 1772620510 PPZNNZJWNCHAPG-JOCHJYFZSA-N 427.545 2.426 0 1 IEAF Cc1ncc(CN2C[C@@H](C)[C@](F)(c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)cn1 1857655128 GDXJABVCHGHCQW-ASSNKEHSSA-N 427.484 2.299 0 1 IEAF COc1ccccc1CNC(=O)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(C2(O)CCCC2)nn1 2356316912 BRWNLAZCMASSRZ-YSIASYRMSA-N 439.560 2.075 0 1 IEAF CN(CCc1ccccn1)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](N(Cc2ccco2)Cc2ccco2)[C@@H]1O 2356850025 PZQFXVGUDXULID-DFWAIWNTSA-N 439.512 2.298 0 1 IEAF C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(S(=O)(=O)c2ccccc2F)CC1 34859803 NVLHHMPSYBIJIM-SJORKVTESA-N 431.533 2.498 0 3 IEAF CCOC(=O)Cn1cc(-c2ccc([C@H](C)[C@H](N)C(=O)N3CC[C@H](F)C3)cc2)ccc1=O 14947697 UUCBSLGSUBVGCV-OHEPNIRZSA-N 429.492 2.080 0 1 IEAF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)c4cccs4)CC3)c(F)c2)C(=O)O1 26647548 QPWCCSHZQHVXQV-INIZCTEOSA-N 446.504 2.311 0 1 IEAF N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1)Cc1ccc(F)c(F)c1 28363626 VMBVVGJLKUVWAJ-XLIONFOSSA-N 445.466 2.230 0 1 IEAF Cc1ccccc1CCNn1ccc(C)c(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O 29040379 HDGYRHZYIBAYIA-UHFFFAOYSA-N 431.540 2.394 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3cccc4ccc(Cl)cc34)[C@H]2SC1 40374921 KPZCKTSDLFQVDS-ZRGWGRIASA-N 431.901 2.252 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1c(C)ccc2ncccc12)C(C)C 64490882 JMOAAAYECYQXDL-VDGAXYAQSA-N 439.560 2.221 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCN(C(=O)OCc2ccccc2)C1)C1CCCCC1 82152391 RDFCFNNDGHAMHX-YYWHXJBOSA-N 444.576 2.187 0 1 IEAF COC1=C2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@@H](OC(C)=O)[C@H]1OC(C)=O 85885753 ZYHWPODSLMIRCA-JJMRFZSNSA-N 431.485 2.066 0 1 IEAF biogenic C/C=C/c1ccc2c(c1)O[C@H](CN(C)C(=O)C1CC1)[C@@H](C)CN([C@@H](C)CO)S2(=O)=O 95702140 HGRXOVGPYAFSIY-QMDRAINUSA-N 436.574 2.357 0 1 IEAF CN1[C@H](C(=O)NC2CCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]21 95866438 DLLWVPKYNFDMKH-MPJJRAAHSA-N 425.504 2.307 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C)c1ccccc1 95880238 PHKYBFDSCWYMMN-MZWZOQGZSA-N 444.535 2.381 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@H]1O2 95901657 KRQAAGOFZVBHDO-ISYUWZRGSA-N 445.560 2.020 0 1 IEAF CCOC[C@H]1C(=O)[C@]23C[C@H]1C[C@@H](OC(C)=O)[C@H]2[C@]12CCCC(C)(C)[C@H]1[C@H](O)[C@@]3(O)OC2 95912855 FIEDHVOXTHQKJW-KDOFYRLFSA-N 436.545 2.072 0 1 IEAF biogenic,in-vitro COCCNC(=O)c1onc(CSc2ccc(Cl)cc2)c1C(=O)NCCOC 103211230 GYNSFQCRFYQIIB-UHFFFAOYSA-N 427.910 2.373 0 1 IEAF O=CN1CC[C@]23C[C@H](O)CC[C@@H]2[C@@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 195516082 FTZMSPHFNOLQKD-HMSHQKHKSA-N 447.495 2.346 0 1 IEAF O=C1C[C@](O)(C(F)(F)F)C2=C(C3CCN(c4cccc(C(F)(F)F)n4)CC3)NNC2=N1 210614287 NHMPVULIXNNRTC-MRXNPFEDSA-N 449.355 2.301 0 1 IEAF C[C@@]1(CO)[C@H]2Cc3sc(=N)[nH]c3[C@H](CC(=O)NCc3cccnc3)[C@@]2(C)CC[C@H]1O 2356606821 GFHGJEPRRYUQDJ-INMDSIMCSA-N 430.574 2.073 0 1 IEAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@@H]2[C@@H](CO)O1 61921575 NPRGNJUPYHXXCW-IBRSFNOQSA-N 433.482 2.045 0 3 IEAF COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@H]3C)c[nH]c12 28826899 XGLVOQFSQKQWHL-CQSZACIVSA-N 436.468 2.136 0 1 IEAF COc1cc(N[C@H](C)CCCNC(=O)CN2C(=O)[C@H](C)NC2(C)C)c2ncccc2c1 45246050 MDUKSESGTYMERP-CVEARBPZSA-N 427.549 2.497 0 1 IEAF CCc1cc(N2CCC[C@@H]2CO)n2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c2n1 58650390 ITADTXCJWWSRJO-OAHLLOKOSA-N 440.504 2.113 0 1 IEAF in-vitro CCCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1 66075344 FAHJEBQCCSGNCC-SFKBXODTSA-N 445.990 2.404 0 1 IEAF COc1c(OCCCN(CCO)CCO)cc(O)c2c(=O)cc(-c3ccccc3)oc12 72316836 RQYPVUDAQYKVRZ-UHFFFAOYSA-N 429.469 2.230 0 1 IEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)C[C@@H](O2)[C@H]4[C@H]3[C@@H]1C 85810519 VWLSPPQJJDUUFR-VIALMDKBSA-N 431.485 2.241 0 1 IEAF C[C@@H]1C[C@@H](O)c2ncnc(N3CCN(C(=O)[C@H](CN)c4ccc(C(F)(F)F)cc4)CC3)c21 95573985 HRAHACAUFMCZSB-KBRIMQKVSA-N 449.477 2.427 0 1 IEAF O=C1CC[C@@H](C(=O)N2CCN(c3ccc(NC(=O)N4Cc5ccccc5C4)cc3)CC2)N1 166020582 YMKQSBAUDKESDT-NRFANRHFSA-N 433.512 2.162 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4cccnc4)o3)cc2Cl)CS1(=O)=O 209007648 ITTILQQVSNQNRI-INIZCTEOSA-N 438.922 2.319 0 1 IEAF O=C(OC1CCN(c2ccc(N3CCCC3=O)cn2)CC1)N1CCN(C2CCC2)CC1 223519310 KLKSDCOSACKLDO-UHFFFAOYSA-N 427.549 2.484 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)CC=C[C@@H](C)[C@H](OC)COC(=O)CC=C[C@@H]1C 299813650 HHEXKUYCUJXZBF-USYVTKNRSA-N 437.533 2.272 0 1 IEAF COc1ccc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cn1cc(C(=O)O)cn1 963466785 FKLWFVZQSZHPPO-UWJYYQICSA-N 437.452 2.341 0 1 IEAF NC(=O)C12CC3C[C@@H](C1)C(NC(=O)c1cccc(NS(=O)(=O)c4ccco4)c1)[C@@H](C3)C2 1772595607 DDFCWGDPOHFHKL-IJSXSRTBSA-N 443.525 2.490 0 1 IEAF C[C@@H](O)[C@H](N)C(=O)OCCCCCn1cnc2cc(Br)c(Cl)cc2c1=O 1857569507 STFFHZKFSKKMRC-BMIGLBTASA-N 446.729 2.234 0 1 IEAF CC(=O)N[C@@H](Cc1ccc(OC(C)=O)cc1)C(=O)N1CCC[C@@H]1C(=O)N1CCCCCC1 1857748960 XCLYSJGDVGVCJO-FCHUYYIVSA-N 443.544 2.053 0 1 IEAF C[C@H]1OC(=O)CC[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OC1=O 1857755916 KAACUZINQCSTMT-LFEHRJTNSA-N 448.516 2.264 0 1 IEAF C[C@H](C(=O)NCc1cccnc1)[C@@H]1CC[C@]2(C)CC[C@H](NS(C)(=O)=O)[C@H](C)[C@@H]2[C@H]1O 2356868886 XFMVFVNVQSZONS-VOWYCPPTSA-N 437.606 2.075 0 1 IEAF COC(=O)[C@H](Cc1ccccc1)NC(=O)Cn1cnc2c(OCc3ccccc3)ncnc21 61947302 NDYNQVLYPLZGJB-IBGZPJMESA-N 445.479 2.306 0 3 IEAF O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@H](c3ccc(Br)cc3)[C@@H]12 95581024 ARUGHFSORVZSOH-NXEZZACHSA-N 438.288 2.414 0 1 IEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 95794367 MNLCFTZBMCNRAP-REMFJUEKSA-N 432.524 2.491 0 1 IEAF CCN1[C@H](C(=O)NCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]21 95880756 WUNYBBAJNKQDEB-ZQRMPTRQSA-N 444.535 2.210 0 1 IEAF O=C([C@H]1[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1)N1CCCCC1 95881411 BADQSRGGHRKUPF-IQFVJIFQSA-N 448.567 2.296 0 1 IEAF COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N[C@@H](C)CO)nc3n2)cc1CO 139610467 OLORFKFXNMHWHF-GJZGRUSLSA-N 439.516 2.211 0 1 IEAF COCCN1CN(C(c2ccccc2)c2ccccc2)n2cc(C(=O)O)c(=O)c(O)c2C1=O 141028583 HEYDIWIRZJNKGZ-UHFFFAOYSA-N 449.463 2.039 0 1 IEAF C[C@@]1(c2cc(NC(=O)CC(F)(F)F)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 147261157 SMWAFHSUWLSWSH-HOTGVXAUSA-N 437.415 2.086 0 1 IEAF COC(=O)C(=O)C[C@]1(c2cn(C)nc2C)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587580529 IYCIZOWCLVJEGO-AUSIDOKSSA-N 436.420 2.423 0 1 IEAF Cn1ncc(-c2nn(C)c3ncnc(N4CC(O)C4)c23)c1-c1ccc(C(F)(F)F)cn1 1772597531 QWLYEXUJYIXTAI-UHFFFAOYSA-N 430.394 2.026 0 1 IEAF Cn1ncc(NC(=O)c2csc(-c3cccnc3O)n2)c1[C@@H]1CC[C@@H](N)[C@H](F)CO1 1772619788 CNOQCJIRUDRHBK-JMSVASOKSA-N 432.481 2.413 0 1 IEAF O=C1N=C2NNC(C3CCN(c4ccc(C(F)(F)F)nc4)CC3)=C2[C@@H](C(F)(F)F)[C@H]1O 1857551674 PLAUEPVHTCLNMQ-TZMCWYRMSA-N 449.355 2.157 0 1 IEAF COC[C@H]1O[C@@H](Oc2cccc3cc4c(c(OC)c23)C(=O)OC4)[C@@H](OC)[C@H](OC)[C@H]1OC 2356307034 WAPZXYQPPBCFPM-NAVHFGAJSA-N 448.468 2.314 0 1 IEAF CC(=O)O[C@@H]1CC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@@H]2[C@](C)(O)[C@H](O)C=C[C@]2(C)[C@H]1OC(C)=O 2356637636 YWDXFKMLCKVVHC-VTRIMDARSA-N 448.512 2.136 0 1 IEAF COc1ccc(CN2CC[C@@H]3[C@@H]2C(=O)NC[C@@H](CCC(=O)Nc2ccccc2)N3C)cc1 2356862214 UXWYYURZKMFVAK-KIFXHHALSA-N 436.556 2.487 0 1 IEAF Cc1ccn(CCC(=O)N2CCC[C@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 12718454 QRPCVAMFXRGWFN-OAQYLSRUSA-N 438.576 2.344 0 3 IEAF CN(C)CCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1 590705 HYBCPKCAHCAFSQ-UHFFFAOYSA-N 437.529 2.375 0 1 IEAF CN(C)c1ccc([C@@H]2CC(=O)C[C@H](c3ccc(N(C)C)cc3)C23C(=O)NC(=O)NC3=O)cc1 1860526 XUWJVHFJAFWVCG-OYRHEFFESA-N 448.523 2.401 0 1 IEAF NC(=O)[C@H]1CCCN(c2ncc(C(=O)NCc3ccc4c(c3)OCO4)c(-c3ccco3)n2)C1 82142558 WXDRXARTWZCKIF-HNNXBMFYSA-N 449.467 2.097 0 1 IEAF CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@@H](C)CC)C1 82196424 UMVXXLVDFWABPG-AWEZNQCLSA-N 439.516 2.442 0 1 IEAF CC(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@H](c1ccccc1)CN2 82209252 ARNGFROFXAHBGR-SFHVURJKSA-N 425.533 2.105 0 1 IEAF CCc1ccc(-c2nc(-c3cc(C)c(OC[C@H](O)CNC(=O)CO)c(C)c3)no2)s1 103257936 RKBCKRDSEUUCBO-OAHLLOKOSA-N 431.514 2.493 0 1 IEAF O=C1CC[C@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C\c4ccc(c2c4)O[C@H]3C1 104762634 YIWJEBPTHXRHQF-VIUYVYDCSA-N 437.540 2.014 0 1 IEAF CN(C)C(=O)COC1CN(C(=O)c2ccc3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144715318 JEWNKIJGFPZINZ-OAQYLSRUSA-N 434.414 2.394 0 1 IEAF COc1nc(-c2nnnn2C)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1 207623431 MJSREVGITAJCEL-UHFFFAOYSA-N 436.480 2.199 0 1 IEAF CC(C)(C)OC(=O)N1[C@H]([C@@H](O)CC(=O)O)Cc2c([nH]c3ccccc23)C1(CCO)CCO 963079836 SKRKFZGAYHJIEB-ROUUACIJSA-N 448.516 2.125 0 1 IEAF COc1cnc2c(c1)CN(C(=O)[C@@]13CCC[C@@H]1C[C@@H](N[C@@H]1CCOC[C@H]1OC)C3)CC2 95594000 PKLPRMWVWCKOGU-RUGFMQOOSA-N 429.561 2.317 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2C(=O)CC1CC1 95879885 FEMMKDFIUXGLEQ-SQMBMXPBSA-N 439.556 2.232 0 1 IEAF CNC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@@H]2CC[C@@H]1N2C 100805837 XVPWVWCBTABICH-ZQDZILKHSA-N 428.270 2.045 0 1 IEAF O=C(O)CCNC(=O)c1ncc2c(cc(-c3ccncc3)c(=O)n2Cc2ccccc2)c1O 169711013 NGVLESQBZGACAV-UHFFFAOYSA-N 444.447 2.417 0 1 IEAF Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc([C@](C)(O)CO)cn3)[C@H](C)C2)c1C 197950406 ZAFPQPYEWPQRTC-CRICUBBOSA-N 448.571 2.389 0 1 IEAF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccnc2[nH]1 586934441 BMQFGFZFYIGSAY-CQSZACIVSA-N 428.923 2.066 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@H]1CCCN(S(C)(=O)=O)C1 587869188 DLSXKDRYIHHIKJ-LBPRGKRZSA-N 432.424 2.284 0 1 IEAF N=c1nc2c(ncn2[C@H](NC(=O)OCCc2ccccn2)C(Cl)(Cl)Cl)c(N)[nH]1 1857573847 TWHYURFDFXPMCY-LBPRGKRZSA-N 445.698 2.054 0 1 IEAF COC(=O)C1=CN([C@H](C)C(=O)O)[C@@H]2OC[C@@H]3[C@@H]2[C@@H]1C[C@@H]1c2[nH]c4ccccc4c2CCN31 2356863826 VIPHGZIXRFHNNR-SAYLCNIYSA-N 437.496 2.274 0 1 IEAF CN1CCN(C(=O)C2CCC(CNS(=O)(=O)c3cccc4cccnc34)CC2)CC1 20377408 AQGMMFFGUIFSRV-UHFFFAOYSA-N 430.574 2.094 0 3 IEAF CC1(C)O[C@@H]2C[C@@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 31274113 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COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)NC1CCCC1)CC31CN(C(C)=O)C1 95666842 MKNCBCQYCCTRNA-FQEVSTJZSA-N 440.544 2.288 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(-c3cccnc3)cnc2O[C@@H]1CN(C)C(=O)C1CC1 95729007 QZKOBWBUZAMLFO-WHSLLNHNSA-N 438.528 2.232 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@@H]1N2Cc1ccccc1 95881039 LFTAYCMJTATIGB-AZOUXBGGSA-N 444.535 2.210 0 1 IEAF CS(=O)(=O)c1cc(-c2cc([C@@H]3[C@H]4CN(C5COC5)C[C@H]43)n(C3CCCC3)n2)cnc1N 148091220 CLAXKGPZLAWOPE-LFUKPOHLSA-N 443.573 2.090 0 1 IEAF COC(=O)Nc1c(N)nc(-n2nc(Cc3ccccc3F)c3ncc(F)cc32)nc1N 199455657 ILRWHUXQVFWDIK-UHFFFAOYSA-N 426.387 2.422 0 1 IEAF Cc1cc(F)c2[nH]c(C3CCN(C(=O)NC4CCN(S(C)(=O)=O)CC4)CC3)nc2c1 586956077 SILMTPFYFXGBQF-UHFFFAOYSA-N 437.541 2.323 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@@H](c1ccc(N3CCN(C)CC3)cc1S(C)(=O)=O)O2 587407705 CHXJRSKJWXXNQH-FQEVSTJZSA-N 429.542 2.439 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@H](c3cccc(F)c3)C2)cn1 1772624424 RIPAOVGOMIIXRV-IBGZPJMESA-N 432.521 2.139 0 1 IEAF O=C(Nc1ccc(F)c(Cl)c1)c1ccc(F)c(S(=O)(=O)N2CCOC[C@H](O)C2)c1 1857568347 CHNIIKPXQZWJGE-CYBMUJFWSA-N 446.859 2.252 0 1 IEAF CCOC(=O)c1nnc(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@@H](C)C3)cc2)o1 1857760318 DJERXXKIJFDKTM-BETUJISGSA-N 436.490 2.165 0 1 IEAF CCCN(C)[C@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 96020969 FYBHVRBTLZYPLP-KRWDZBQOSA-N 431.484 2.201 0 3 IEAF O=C(Nc1ccc(F)cc1)[C@H](c1ccncc1)N1CCN(CC(=O)N2CCCC2)CC1 199247636 UJPUUPZSNJGMIO-QFIPXVFZSA-N 425.508 2.141 0 3 IEAF CCOC(=O)[C@@H]1CCCCN1Cc1nc(N2CCN(C(C)=O)CC2)c2ccccc2n1 12079529 NZIPIYWHHSPWRB-FQEVSTJZSA-N 425.533 2.216 0 1 IEAF CNCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(SC)cc4)ccc3NC(=O)[C@@H]2C1 12604817 GYZLVZPQKCDREO-JXFKEZNVSA-N 438.553 2.336 0 1 IEAF biogenic COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@@H]2CO)cc2c1OCO2 13461616 IOLQZNZXIUEYRV-ZIAGYGMSSA-N 430.409 2.075 0 1 IEAF biogenic COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C(=N)N)cc1)c1ccccc1 13807983 INVCSRWXKYPODB-VAMGGRTRSA-N 436.512 2.034 0 1 IEAF O[C@](CN1CCN(Cc2ccc(F)cc2)CC1)(Cn1cncn1)c1ccc(F)cc1F 40762293 OTOSENRCMSLVMM-JOCHJYFZSA-N 431.462 2.401 0 1 IEAF O=C(O)Cn1nnc(-c2cnc(N3C[C@@H]4C[C@H]3CN4c3cc(F)ccc3Cl)s2)n1 73222578 HEZALYJTWXTLDU-QWRGUYRKSA-N 435.872 2.141 0 1 IEAF O=C1NCCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069299 UTJQVWDOKOIQNW-SJORKVTESA-N 426.542 2.447 0 1 IEAF O=C(O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@@H](CO)O1 95901968 BOKKRFULVUTARF-XGJBHWFVSA-N 437.445 2.096 0 1 IEAF CN1CC(Cc2ccccc2)(c2cccc(OCCNS(=O)(=O)c3cn(C)cn3)c2)C1 114733682 NECJYFPTYLEWAL-UHFFFAOYSA-N 440.569 2.203 0 1 IEAF CCOC(=O)[C@@H]1[C@@H](c2cccs2)N[C@@H](c2cccs2)[C@@H](C(=O)OCC)S1(=O)=O 653779670 INIOCTHVKZPQOK-FZKCQIBNSA-N 443.568 2.473 0 1 IEAF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@]2(CCN3CCCC[C@@H]32)N1 963666102 JJHWIKDIUZYSEE-WOLJRWFJSA-N 449.551 2.172 0 1 IEAF CC[C@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(N)=O)ccc43)nc2N1c1ccn(C)n1 1857744768 VJEHJUWRIDMKNR-HNNXBMFYSA-N 430.472 2.146 0 1 IEAF Cc1nnc(N2C[C@@H]3CC[C@H](C2)[C@H]3N=c2nc3c(O[C@H](C)C(F)(F)F)cccn3[nH]2)o1 1911583978 PYPNIGUSVUTKEM-IKVITTDRSA-N 437.426 2.499 0 1 IEAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccncc3)[C@H](C)[C@@H]2[C@H]1O 2356305521 LLIOOIBMJPDGCG-LJAKAVKASA-N 443.588 2.498 0 1 IEAF Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccs1 199233949 YNPKZEXTKVSBBS-FQEVSTJZSA-N 435.571 2.366 0 3 IEAF C[C@H]1C[C@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 101177648 HPMLNBIUWWBSTD-SOTZWJKQSA-N 438.572 2.220 0 1 IEAF O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)n1cc(S(=O)(=O)C2CC2)cn1 148404157 CKDRXQFLSZIDBI-AWEZNQCLSA-N 428.511 2.411 0 1 IEAF COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@H]([C@@H]21)N3S(=O)(=O)Nc1ccc(F)nc1 169353973 RSZNDMJETBKFRP-QWFCFKBJSA-N 446.504 2.249 0 1 IEAF C[C@H](CO)n1c2cnccc2c2cnc(Nc3ccc(N4CCNC(C)(C)C4)nn3)nc21 169706836 DODCOXGOTWRFDV-CQSZACIVSA-N 433.520 2.255 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cncc4sccc34)CC1)CCC[C@H]2O 1772640975 LSWAIDPZAGTFNI-LJQANCHMSA-N 425.558 2.353 0 1 IEAF CN1[C@H](CCC(=O)NCc2ccc(F)cc2)CNC(=O)[C@H]2[C@H]1CCN2Cc1ccccc1 2356868489 XCJDVUZSHVQPGR-CQOQZXRMSA-N 438.547 2.295 0 1 IEAF COCCNC(=O)C(C)(C)n1cc(NC(=O)c2cc(OC)ccc2Br)cn1 205215049 BZZWMDAXDINQNM-UHFFFAOYSA-N 439.310 2.404 0 3 IEAF O=C(CSc1nc2ccccc2c(=O)n1CCN1CCOCC1)NCc1ccccc1 20643613 VLXWCMLWRJAGLT-UHFFFAOYSA-N 438.553 2.137 0 1 IEAF O=C(O)CN1C(=O)[C@@H](N[C@@H](CCc2ccccc2)C(=O)O)CSC[C@H]1c1cccs1 26152764 DDZAWUSTAAZYBS-ULQDDVLXSA-N 448.566 2.493 0 1 IEAF CCN1CCC[C@@H](OC(=O)C(O)(c2ccc3c(c2)OCO3)c2ccc3c(c2)OCO3)C1 45187726 OBQRSLPLKVZJPU-QGZVFWFLSA-N 427.453 2.407 0 1 IEAF COc1cccc(C(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)c1 72106117 FGRXCCCZXDJUMM-NHCUHLMSSA-N 425.485 2.151 0 1 IEAF COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1F 72171070 KMXTVJVILCUYIK-UHFFFAOYSA-N 437.431 2.196 0 1 IEAF O=C(N[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5)c1ccccn1 87723656 NHRWXABMYGAAGY-PJVUGFAXSA-N 447.535 2.150 0 1 IEAF 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COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCNC[C@H]1C 1857648012 UWPZYKOVHNLVSD-QGZVFWFLSA-N 446.621 2.249 0 1 IEAF C[C@]1(C(=O)NS(=O)(=O)c2ccccc2OC(F)(F)F)CCN1C(=O)c1ccco1 61907526 NSQRKIMTRWVVGW-MRXNPFEDSA-N 432.376 2.288 0 3 IEAF Cc1ccccc1CN(C)C[C@@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@H]1C 61946108 UFUZIZHGCRPPRZ-VIZSFHNOSA-N 443.592 2.243 0 3 IEAF O=C(O)Cn1c(=O)n(Cc2ccc(Br)cc2F)c(=O)c2ccc(F)cc21 837722 XLOHSVVOWVIPFC-UHFFFAOYSA-N 425.185 2.337 0 1 IEAF investigational COc1ccc(Cn2cc3c(c2CN2CCOCC2)c(=O)n(C)c(=O)n3CC(C)C)cc1 13603347 DEYAXILXIPPJMM-UHFFFAOYSA-N 440.544 2.047 0 1 IEAF COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 34636658 FKCKHHUOKPWTNI-LVCYWYKZSA-N 435.480 2.171 0 1 IEAF COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1OC 82194916 VBRLRGVQIGEWOV-ZOBUZTSGSA-N 433.530 2.062 0 1 IEAF Cc1[nH]c2cc([C@@H]3CCCCN3C(=O)c3ccccc3NS(C)(=O)=O)nn2c(=O)c1C 147403088 CCUBJXKKOTVNHI-SFHVURJKSA-N 443.529 2.378 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccccn3)sc2N)c1N1CC[C@H](N)[C@@H](F)CC1 169699328 UNPUCKRJJQRLJX-RYUDHWBXSA-N 430.513 2.039 0 1 IEAF C[C@@H]1COCCN1c1nc(N2CCN(C)CC2)nc2nc(-c3cccc4[nH]ccc34)[nH]c12 207222909 UJHSWCPVRIYXOJ-OAHLLOKOSA-N 432.532 2.478 0 1 IEAF Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)cn1 221924484 PVWFZGSZWVFUEM-HIFRSBDPSA-N 432.431 2.305 0 1 IEAF CC(=O)Nc1nc(C)c(-c2ccc(Br)c(S(=O)(=O)NCCO)c2)s1 653727841 RYCGEXLWAPGHHN-UHFFFAOYSA-N 434.337 2.110 0 1 IEAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(CC3CCCCC3)C2)C(=O)N1Cc1cccc(Cl)c1 2356290356 QLYQAJBMLQGDRW-PMACEKPBSA-N 431.964 2.279 0 1 IEAF CC(=C[C@H](C)Cc1ccccc1)CC[C@@]12CC[C@@](C(=O)O)(O1)[C@@](O)(C(=O)O)[C@H](C(=O)O)O2 2356543503 OGZGHCQBWIVONK-OFCLEJJZSA-N 448.468 2.221 0 1 IEAF CCCn1c(-c2ccc(F)cc2)nc2c(NCCCN(CCO)CCO)nc(C)nc21 7991791 MZKIWKUHKWFRIG-UHFFFAOYSA-N 430.528 2.439 0 1 IEAF CC[C@@H](C)CNC(=O)Cn1nc(-c2ccco2)c2c3c(c(=O)[nH]c21)CN(C(C)=O)CC3 82196419 UJDSICJINYQHOH-CYBMUJFWSA-N 425.489 2.052 0 1 IEAF 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COc1cc([C@H]2[C@H](O)N(C)C(=O)[C@]23CCCN3)c(Br)cc1Br 34518470 ZNKJMNWJZBGNNZ-YDHLFZDLSA-N 434.128 2.216 0 1 IEAF COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 95892183 CXAVERPQLGMZKL-DKSSEZFCSA-N 443.456 2.179 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 95908192 DNUVWNCDCIVCLB-FQELHTAISA-N 444.459 2.013 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@@H]([C@H]4C[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 100679509 KHOAMOKCCGVUEC-MJJLTSLDSA-N 443.979 2.309 0 1 IEAF COC(=O)c1cc2nc(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)[nH]c2cc1OC 586947154 VCTCKPRXIAGLFX-AWEZNQCLSA-N 445.497 2.482 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@H](C)c4nnc(C)o4)c(=O)n(C)c3nc12 621431834 PYTOGZRREIEBOI-CYBMUJFWSA-N 433.472 2.310 0 1 IEAF CCc1ccc(I)c(CC)c1NC(=O)N(CC(=O)O)CC(=O)O 653634135 LEOMAATZGQRCRQ-UHFFFAOYSA-N 434.230 2.419 0 1 IEAF O=C(NCC(=O)N1CC(O)C1)c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1 1772613963 MZCVGJGVMUPBBT-UHFFFAOYSA-N 446.385 2.374 0 1 IEAF C[C@]1(C(=O)NS(=O)(=O)C2CC2)CCCN(C(=O)c2cccc(OC(F)(F)F)c2)C1 61908381 JKNNFHWWHCNHIO-KRWDZBQOSA-N 434.436 2.436 0 3 IEAF CCN(C)S(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]nc(OC)c3c2)c1F 72182493 YHYVLDHYKISRAD-UHFFFAOYSA-N 440.432 2.105 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2cccs2)C1 95867806 HMRHVJMZJNBTAN-QGZVFWFLSA-N 447.582 2.170 0 1 IEAF CCN1[C@@H]2c3ccc(-c4ccc(OC)cc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 95880638 YWZAVHYSAQFQPS-YXPKMTABSA-N 437.540 2.176 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)[C@@H]2N1Cc1cccnc1 95881357 DERAGZKKDXEUNA-VNVFKDOTSA-N 434.540 2.109 0 1 IEAF O=C(c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)N1CCOCC1 102928979 GEHQROHCYZRQBQ-UHFFFAOYSA-N 425.466 2.308 0 1 IEAF O=C(NCCN1CCC2(CC1)C(=O)NCN2C(=O)C1CCC1)c1ccc2ccccc2c1 211939782 OGYUZTMGXIOIDW-UHFFFAOYSA-N 434.540 2.120 0 1 IEAF CN(C)C(=O)[C@H](CC1CCC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 219204910 DGGWVAGZDHWTKY-HNNXBMFYSA-N 437.491 2.098 0 1 IEAF CNS(=O)(=O)c1ccc(CCc2nc3[nH]c(O)nc(NCc4ccccc4)c-3n2)cc1 586945849 CBVOBMLTUHDXAN-UHFFFAOYSA-N 438.513 2.316 0 1 IEAF Cn1nc(-c2nc3cncc(Br)c3[nH]2)c(I)c1C(=O)O 587179770 FRVHLGWWKCUJAI-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF Cc1cccc(OC[C@@H]2C[C@H](NC(=O)Nc3cccc(-c4noc(C)n4)c3)[C@H](O)[C@H]2O)n1 2356289882 CPAULDDPMOINFY-UHMOLFJZSA-N 439.472 2.059 0 1 IEAF Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F 61905171 BUBIUQMXRBLELR-KRWDZBQOSA-N 445.419 2.420 0 3 IEAF CCOc1cccc([C@H]2ON=C(c3ccc(N(C)C)cc3)[C@H]2C(=O)NCCOCCO)c1 4041195 MBEVBEMAPIFSQL-FYYLOGMGSA-N 441.528 2.368 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)NCCCSC)N(C(=O)CN(C)C(=O)c2ccccc2)C1 82219952 HIIXSLMNTMGICD-WOJBJXKFSA-N 449.617 2.414 0 1 IEAF COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(=O)n(C)c(=O)n3C)cc(OC)c1OC 104025382 KMQSCNVFFUWPDB-MRXNPFEDSA-N 427.457 2.324 0 1 IEAF COc1cccc([C@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 145147351 USZDKSHBFYAPSQ-RCEBRVLHSA-N 434.460 2.061 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169290340 UJISMJDOFFHTEW-IGOIZDSHSA-N 431.496 2.397 0 1 IEAF C[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCOC5)c4n3)nn2)CCN1 169706881 RMWSHWABEFQAGY-LSDHHAIUSA-N 431.504 2.273 0 1 IEAF Cc1cc(Nc2nc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)cc2cn(C(F)F)nc12 205141596 KRLYUYAJGTUYEC-QWHCGFSZSA-N 431.451 2.449 0 1 IEAF CCN1CC(C)(C)Oc2nc(N3CCOCC3)nc(-c3ccc(OC)c(CO)c3)c2C1=O 225320395 JSKITUZIVLAGDH-UHFFFAOYSA-N 442.516 2.114 0 1 IEAF Cc1cccc(NC(=O)Cc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1C 587238872 GTJVUJHBLCSYHA-UHFFFAOYSA-N 428.514 2.382 0 1 IEAF COC(=O)[C@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)(C)C)c(C)cn23)n(C)c1=O 621431358 QYCDIKGYTRCZIQ-AWEZNQCLSA-N 437.500 2.479 0 1 IEAF O=S(=O)(Nc1ccccc1-c1cn(-c2ccc(F)cc2)nn1)c1cnc(O)nc1O 1857614333 ANVJCBYJOVXJJJ-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF CC(=O)O[C@@H]1[C@H](OC(C)=O)CC(C)=C[C@@H]2OC(=O)C(C)=C2C[C@H]2[C@]1(C)C=C[C@@H](O)[C@@]2(C)O 2356637635 YWDXFKMLCKVVHC-SFHRRPEUSA-N 448.512 2.136 0 1 IEAF O[C@H]1[C@@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(N3CCOCC3)nc2)C[C@H]1O 2356725220 LITJKCIJQHSQQQ-RMVXJAJNSA-N 437.462 2.305 0 1 IEAF CC1(C)S[C@@H]2[C@H](NC(=O)N/C=C/c3cccc(Br)c3)C(=O)N2[C@H]1C(=O)O 28254208 FPBVVDYMEATDRX-MEERCUOESA-N 440.319 2.235 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@@H]1C 95693356 JSRBXIHVEPNVJQ-PJSUUKDQSA-N 430.505 2.329 0 1 IEAF NC(=O)CCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1 96175405 QDMKEGNJXNEQPE-UHFFFAOYSA-N 442.483 2.454 0 1 IEAF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)c1nsc(=O)o1 169322338 KBZDLITUFSVNMI-HOTGVXAUSA-N 441.513 2.131 0 1 IEAF CC(C)N1CCC(C(=O)Nc2cccc(CNC3=NC=N[C@@H]4C(C(N)=O)=CCC=C34)c2)CC1 169700729 JXMNWIWHMKVRKH-JOCHJYFZSA-N 448.571 2.386 0 1 IEAF Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H]3CCCNC3=O)cc2F)cn1 224777409 ZWSVSWSCKQRIAB-GOSISDBHSA-N 441.488 2.089 0 1 IEAF CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCCN(S(C)(=O)=O)CC4)ncn3)c2c1 225565253 PSLMXRVJHGLNBZ-UHFFFAOYSA-N 430.534 2.279 0 1 IEAF COc1ccc(OC)c(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)c1 299876304 FKSDTHLTEDJZDK-SIIHOXLZSA-N 433.530 2.062 0 1 IEAF COc1cc2nc([C@@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c2cn1 586934738 AOKSHHXFTOXROJ-IBGZPJMESA-N 431.518 2.278 0 1 IEAF Cc1cccc(N2CCCCC2)c1CNC(=N)NC(=O)c1ccc(C[C@H](N)C(=O)O)cc1 653845090 LRHBSDSLQKVIES-FQEVSTJZSA-N 437.544 2.394 0 1 IEAF CCCC[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1C(=O)N1CCN(S(C)(=O)=O)C1=O)[C@@H]23 1772642147 VFCNVWRGVKBCRR-MLHJIOFPSA-N 426.583 2.169 0 1 IEAF COC(=O)[C@@]1(Cc2ccc3c(c2)O[C@H](C(C)(C)O)C3)OC(=O)C(O)=C1c1ccc(O)cc1 2356541495 DXVJWCRTDUCRKF-UUOWRZLLSA-N 440.448 2.447 0 1 IEAF O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCC[C@@H]1CO 3257046 KLRJNLCCOXDCKG-GFCCVEGCSA-N 437.345 2.001 0 3 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(C)=O)O2 61922596 UUOCJBRUULBREA-ZMPRRUGASA-N 441.528 2.456 0 3 IEAF CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCCCCCN)C(=O)OCc1ccccc1 61959243 NMFJVUODXUYPIB-SFHVURJKSA-N 443.548 2.156 0 3 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2.475 0 3 IEAF C[C@@H](C(=O)N1CCCC1)N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O 14950140 BPINZHBXUATCBJ-LIRRHRJNSA-N 449.960 2.383 0 1 IEAF CN1[C@@H](c2ccc(C(=N)N)cc2)[C@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2C1(C)C 36446114 WPWAUJXYYDCCGD-ZCNNSNEGSA-N 434.496 2.266 0 1 IEAF CC(=O)Nc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1 82194937 GDSSYAJGOBSACS-LNLFQRSKSA-N 430.530 2.003 0 1 IEAF CC(=O)OCCn1cc(-c2ccc(NC(=O)c3cn(Cc4ccccc4)nn3)cc2)nn1 95593572 FSBDUAAVPZIHJB-UHFFFAOYSA-N 431.456 2.400 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(C)=O)O2 95710686 UUOCJBRUULBREA-VVBPWWLESA-N 441.528 2.456 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cn(nn2)CCCC(=O)N([C@H](C)CO)C[C@@H]1C 95810370 RZJYZFKNZOCSJO-MIZPHKNDSA-N 443.592 2.243 0 1 IEAF COC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)c4cncs4)cc3C(=O)N2C)O1 95893253 UYHAGXSFPLQSEJ-UKPHBRMFSA-N 445.497 2.339 0 1 IEAF O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@H]1CO)c1ccc2c(c1)OCO2 95903818 XAHRYQSZYLTWTB-KLHJMIIUSA-N 444.459 2.013 0 1 IEAF O=S(=O)(N[C@@H]1CC[C@@H](CCn2cc(C3CC3)nn2)O[C@@H]1CO)c1ccc(Cl)cc1 95906245 RHJXOCKIMUYHPK-KVSKMBFKSA-N 440.953 2.086 0 1 IEAF O=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3ncns3)ccc21 202354911 KFTDFBZIXWQSEU-UHFFFAOYSA-N 434.474 2.446 0 1 IEAF Cn1cc(-c2c(N)ncnc2N2CCN([C@@H](CN)c3ccc(C(F)(F)F)cc3)CC2)cn1 218678304 VAIFBJMSMMVFMV-KRWDZBQOSA-N 446.481 2.300 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@H]1[C@@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 253666411 JXBYZKQDZBIQDJ-AIQNWGLSSA-N 439.556 2.367 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CC[C@@](C)(O)C4)n3)C2)cc1 261138421 MQDSWLZYZSGEKT-LERMDLETSA-N 425.533 2.293 0 1 IEAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)cc(Cl)c3[nH]2)c1 586936194 NXAVGUFAIWFKPZ-UHFFFAOYSA-N 443.710 2.409 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@H](c2ccsc2)[C@H](C(=O)OCC)S1(=O)=O 653779720 RRNHHXJBGBWMPZ-GEEKYZPCSA-N 443.568 2.473 0 1 IEAF CC[C@H]1C(=O)N(C)c2cnc(-n3ccc4cc(C(=O)NC)ccc43)nc2N1c1ccn(C)n1 1857749463 IHGSFRGRMMGZRN-INIZCTEOSA-N 444.499 2.407 0 1 IEAF CC(=O)N[C@@H]1Cc2cn(c3ccccc23)C(=O)c2ccccc2NC(=O)[C@@H]2CCCN2C1=O 2356717901 YFQDVXKEMBYFSU-IRLDBZIGSA-N 444.491 2.320 0 1 IEAF COc1ccccc1N1CCN(C[C@@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)NC(C)C)CC1 2356853709 RIRIZOIUVIFXDY-PWRODBHTSA-N 429.609 2.235 0 1 IEAF CCCc1ccc(CCC(=O)c2c(O)cc(O[C@@H](C[C@@H](O)CO)C(=O)O)cc2O)cc1O 27424455 OUKZJCOFMACUOO-VFNWGFHPSA-N 448.468 2.147 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95899332 GUFQTAZGDROFPH-DUCQWWKISA-N 432.517 2.105 0 1 IEAF Cc1cccc(CNC(=O)[C@@H]2C[C@H](N)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)c1 148371890 NACQCTKPNFZVJM-JXFKEZNVSA-N 434.500 2.126 0 1 IEAF CN1[C@@H](c2ccc(C(=N)N)cc2)[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2C1(C)C 169687032 WPWAUJXYYDCCGD-AQNXPRMDSA-N 434.496 2.266 0 1 IEAF CNS(=O)(=O)NCc1nc2cc(OCc3ccccc3)c(Br)cc2[nH]1 586942949 RXNWDJHZRZRLJO-UHFFFAOYSA-N 425.308 2.458 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc(Cc3nnc(NC(=O)OC(C)(C)C)s3)[nH]c2c1 587024257 RMFUIRZAMVQJSH-UHFFFAOYSA-N 438.535 2.603 0 1 IEAF O=C([C@@H]1CCCN(c2ccc3nc(-c4cncc(C5CC5)n4)[nH]c3n2)C1)N1CCOCC1 1772651695 DTLYHOSKNRMASR-MRXNPFEDSA-N 433.516 2.368 0 1 IEAF Cc1cccc(-n2[nH]cc3c(=O)nc(SCC(=O)N4CC(=O)Nc5ccccc54)nc2-3)c1 103780347 KBBQOOGOIAIREO-UHFFFAOYSA-N 446.492 2.446 0 3 IEAF O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)c1ccccc1 198919785 YJTKWWPARQZUMY-VXKWHMMOSA-N 434.540 2.473 0 3 IEAF O=C(CNS(=O)(=O)c1cccc2cnccc12)N1CCN(c2ccc(F)cc2F)CC1 28705026 CDGMQPAQBLUWTK-UHFFFAOYSA-N 446.479 2.140 0 1 IEAF COC1=C2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@H](OC(C)=O)[C@@H]1OC(C)=O 39065506 ZYHWPODSLMIRCA-PADGLLGNSA-N 431.485 2.066 0 1 IEAF biogenic CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CCCCC1 73200261 KEUGSWCNZKGYBC-YYWHXJBOSA-N 428.577 2.080 0 1 IEAF COC(=O)Cn1c(=O)c(NCC2CCCCC2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205209 XUYZLPHUYTYMAV-SFHVURJKSA-N 426.517 2.212 0 1 IEAF O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@H](c1ccccc1)CN2)c1ccncc1 82210598 BMUSIJKWGXUJBB-IBGZPJMESA-N 440.463 2.116 0 1 IEAF C[C@@H](NC(=O)[C@@H]1N[C@@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]2[C@H]1CO)c1ccccc1 95880279 MKBSCBJKWZMPPS-WCSRJGBQSA-N 430.508 2.039 0 1 IEAF CN(C)C(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95880511 SXLXXOWABGTUEA-KZKAQZJJSA-N 434.540 2.063 0 1 IEAF CCOCC[C@@]1(Oc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)NC(=O)[C@H](N)C1=O 101011884 HYDHEJPXRHGPLP-UTKZUKDTSA-N 432.860 2.229 0 1 IEAF Cn1cnc(S(=O)(=O)N2CCC[C@H](c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)C2)c1 145227628 ZJTWQEUWGZKMKV-HNNXBMFYSA-N 446.577 2.083 0 1 IEAF O=C(c1cc(F)ccc1-n1nccn1)N1CCO[C@H]1Cn1ccc(-c2ccc(F)cn2)n1 210584371 LWIJBIHKOCBNNV-FQEVSTJZSA-N 437.410 2.303 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C)c4n[nH]c(C)n4)c(=O)n(C)c3nc12 621431441 HUFNAUFKQIQUQK-ZDUSSCGKSA-N 432.488 2.045 0 1 IEAF C[C@@H](c1nc(O)c2cnn(C3CCOCC3)c2n1)N1CC(Oc2ncc3cccnc3n2)C1 1772617164 WXTZNPZPQRYOSN-ZDUSSCGKSA-N 448.487 2.046 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)Oc1c(O)ncc2c1O[C@H]1[C@H](O)CC[C@@]2(O)[C@@H]1O 2356323141 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YNLXALPSUPUEOW-GOSISDBHSA-N 447.474 2.379 0 1 IEAF CN1CCN(CCn2cc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)cn2)CC1 1857558987 PRILPLNMVZVZHB-UHFFFAOYSA-N 429.912 2.104 0 1 IEAF CC(=O)N1CCN(C(=O)C[C@@H]2C[C@H](C(C)C)[C@H](CNC(=O)c3cncnc3)C=C2C)CC1 2356319575 NNPYXSFKBUPJPL-JAXLGGSGSA-N 441.576 2.142 0 1 IEAF CN1C[C@H](NC(=O)CCC(=O)O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 2356527798 NMDUGHMEYHUCCW-YPMHNXCESA-N 428.367 2.361 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccco1 2356726749 USGVVKAVNFJEGK-MJCUULBUSA-N 436.556 2.001 0 1 IEAF CCOc1cc([C@@H](CS(C)(=O)=O)N2C(=O)c3cccc(OC)c3C2=O)ccc1OC 1487827 PWWMMNXNXVWCGI-OAHLLOKOSA-N 433.482 2.484 0 1 IEAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(C(N)=O)cc4)cs3)[C@H](C)[C@H]12 3825031 VZUKANWTWZGYHS-HFOBELJZSA-N 445.522 2.155 0 1 IEAF COc1ccc(N2C[C@@H](C(=O)N[C@H](C)C(=O)NCCc3c[nH]c4ccccc34)CC2=O)cc1 15959765 BMYAILLNUOZRDB-AEFFLSMTSA-N 448.523 2.393 0 1 IEAF biogenic O=C(CCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[C@@H](Cc1cnc[nH]1)C(=O)O 40575455 VPYQHUUBNONLQI-UVLALUNPSA-N 445.564 2.350 0 1 IEAF CC(C)NC(=O)CC[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(C)C 40897591 WBUPWRCLPHHIKH-CQSZACIVSA-N 438.377 2.470 0 1 IEAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CO)cc1 40900784 BWXATXFIBGNHGD-ZDUSSCGKSA-N 446.451 2.227 0 1 IEAF CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(-c2ccco2)nn3CC(=O)NC[C@H](C)CC)C1 82196423 UMVXXLVDFWABPG-CQSZACIVSA-N 439.516 2.442 0 1 IEAF COC(=O)c1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@@H](C(C)C)N3)cc1 82206498 QFLWCYOMBPXHPV-IBGZPJMESA-N 449.511 2.302 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@H]1CN(C)C 95860308 NQYPTHXHXGOLGT-ZOCZFRKYSA-N 426.517 2.116 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@H]1CO2 95888022 OFOMNITYAMQOJA-HQRMLTQVSA-N 429.517 2.332 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CC)[C@@H](C(=O)NCc2ccccc2F)[C@@H]1CO 100139669 IDYYFMVECDQCRM-PJKNPHOHSA-N 425.504 2.320 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@@H](O)[C@]5(O)CO[C@H]6O[C@H]([C@@H]4[C@]6(O)C5=O)[C@@]3(C)CC[C@@]2(C)CC1 100776825 YHVXQLPNJVSDTP-MVMWIMFWSA-N 430.541 2.263 0 1 IEAF endogenous,in-man O=C(NC1[C@H]2CC3C[C@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCNC2=O)nc1C1CCCC1 101584679 PVQLKYMMJSZPJU-LPNJQQFSSA-N 439.560 2.104 0 1 IEAF COc1ccc([C@@H]2[C@@H](C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC 110766593 OHSXTVPHZMEZHA-VQTJNVASSA-N 428.460 2.356 0 1 IEAF Cc1ccc(C(=O)NC[C@H]2CCOC2)cc1Nc1ncnc2cnc(N3CCOCC3)nc12 148180525 RPAQFXSQTDISBJ-MRXNPFEDSA-N 449.515 2.075 0 1 IEAF COc1ccc(C(=O)N2C[C@H]3COCCN3C3(CN(Cc4ccccc4F)C3)C2)cc1 2356342000 CROFZFMGIQOJCB-FQEVSTJZSA-N 425.504 2.246 0 1 IEAF O=C(O)CCC(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@H]12 2356863312 UQRCFAVJSQVFIU-KNQAVFIVSA-N 449.463 2.079 0 1 IEAF CC(C)CNc1ccc2c(c1)-c1c(c(C(N)=O)nn1-c1ccc(S(N)(=O)=O)cc1)CC2 34241187 REYOIXPRBUEXDV-UHFFFAOYSA-N 439.541 2.452 0 1 IEAF COC(=O)[C@@]1(CCS(=O)(=O)c2ccccc2)COC(c2ccc(OCCCO)cc2)=N1 36375583 JAZMKMZILHSKAQ-JOCHJYFZSA-N 447.509 2.000 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@H](C)N(C)C[C@H]1C 95690598 WHHUAOMDORXOMQ-VWKPWSFCSA-N 441.532 2.165 0 1 IEAF CNCCNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1 138807256 BCUJPBNUGKHRSC-HNNXBMFYSA-N 438.532 2.049 0 1 IEAF CSc1ccc(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1 145922543 CKMKCQFVYBPGMH-NVNXTCNLSA-N 436.501 2.213 0 1 IEAF O=C(Nc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1)N1Cc2ccncc2C1 166828445 IPRZLDFWTPSWSQ-UHFFFAOYSA-N 429.484 2.382 0 1 IEAF CC(=O)O[C@H]1[C@@H]2C[C@]3(OC2(C)C)[C@H](C)CC[C@H](O)[C@@]3(CO)[C@H]1OC(=O)c1ccccc1 238763032 GCFQOAVTRWVJDV-LYPPSIOTSA-N 432.513 2.481 0 1 IEAF CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)NCCF 473170121 QCYAIEMNEMCNGN-UHFFFAOYSA-N 436.528 2.080 0 1 IEAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3[C@@H](O)[C@]21C 504640317 KJPDWMMNIXDJJC-GIRCKOLKSA-N 428.529 2.322 0 1 IEAF biogenic Nc1ncnc2[nH]c([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)nc12 586978570 XBQNWBDVELLCBZ-QMMMGPOBSA-N 428.088 2.408 0 1 IEAF COC(=O)[C@@H]1C[C@H]1c1ccc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1 587783801 AMPLDOPRUFHJSD-VQTJNVASSA-N 448.523 2.257 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)[C@@H]1CCCN(S(C)(=O)=O)C1 587869184 DLSXKDRYIHHIKJ-GFCCVEGCSA-N 432.424 2.284 0 1 IEAF Nc1ncc(-c2nc(N3CCOCC3)c3ccc(NC(=O)c4cccnc4)cc3n2)cn1 653713279 UJTFQMFHVDVGEW-UHFFFAOYSA-N 428.456 2.153 0 1 IEAF COc1cc(-c2nnc(SCC(=O)NCCc3ccccc3)n2N)cc(OC)c1OC 653901723 ISOURSCAAUQIPT-UHFFFAOYSA-N 443.529 2.136 0 1 IEAF COC(=O)C1=C(CN2C[C@H]3C[C@H]2CO3)NC(c2nccs2)=N[C@@]1(C)c1ccc(F)cc1 1857620066 FAHQTUBZCXPPRY-DMPWYTOCSA-N 442.516 2.448 0 1 IEAF CC(=O)N1CCCN(CC[C@@H]2CN(C(=O)Cc3ccccc3)CC[C@H]2CC(=O)O)CC1 2356311564 CKMDCYFYUFGIHR-FCHUYYIVSA-N 429.561 2.113 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC[C@@H](O)CO 2356625137 AWSHXGOINMVSGP-WHZJULEDSA-N 426.550 2.063 0 1 IEAF NCC(=O)OCO/C(=C1/C(=O)N(C(N)=O)c2cc(Cl)c(F)cc21)c1cccs1 1538273 BSPSJEKUHVUDGC-CCEZHUSRSA-N 425.825 2.310 0 1 IEAF COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)cc1OC 18098979 KSCDSUXUJDYGRH-ROUUACIJSA-N 425.485 2.325 0 1 IEAF CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2ccc(OC)cc2)n(CCCC)c1=O 28232197 FVOKCBYAWPDIJK-UHFFFAOYSA-N 434.518 2.206 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@H]2SC1 40434226 DOFARGWBIZFTGU-SPYBWZPUSA-N 431.901 2.252 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4O[C@@H]3C2=O)CC1 40980084 MJAGDZMQLUKTIZ-VXKWHMMOSA-N 436.512 2.261 0 1 IEAF C[C@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C 95854735 NQYPTHXHXGOLGT-GCKMJXCFSA-N 426.517 2.116 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NC3CCC3)[C@H]2N1Cc1ccncc1 95864478 WAHFSOJZKGDHSM-YGXMZTQFSA-N 434.540 2.109 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(C)CC31CN(S(=O)(=O)c2ccc(C)cc2)C1 95865321 IWMIBHJXICLCJV-HXUWFJFHSA-N 441.553 2.406 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1CC1CC1 95879772 VWTLLXXOGZOHCL-RPHTVSPISA-N 425.504 2.164 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2CC1CCCC1 95881399 MUAUKWAILLHBOA-ZXMXYHOLSA-N 439.531 2.458 0 1 IEAF O=C(Cc1cccnc1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@H]1CO 95905707 MJPBAXXGMLUHIX-WEYGHZABSA-N 439.491 2.137 0 1 IEAF COc1ncc(Nc2ncc(CN3CCOC[C@@H]3C)cc2-c2nc(C)nc(N)n2)cc1F 113156680 NXRARIJYVQLWEA-LBPRGKRZSA-N 440.483 2.331 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2cccc([C@@]3(Cc4ccccc4)CCNC3)c2)c1 114259617 SMMSWRPABQHXRV-HSZRJFAPSA-N 440.569 2.251 0 1 IEAF C=Cc1ccccc1S(=O)(=O)NC[C@@H]1C[C@@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1 220912392 AKQTWWLWVXWDCR-ZYSLNFODSA-N 445.537 2.111 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC(C(F)F)C3)n2)cc1OC(F)F 653748770 YCPFDUWNECSHTL-RYUDHWBXSA-N 440.401 2.401 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@H](c3ccc(F)s3)C2)nc1 1772610035 UDULSVDSWQVTQH-HNNXBMFYSA-N 438.550 2.200 0 1 IEAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(CC3CCCCC3)C2)C(=O)N1Cc1cccc(Cl)c1 2356290358 QLYQAJBMLQGDRW-WOJBJXKFSA-N 431.964 2.279 0 1 IEAF COC(=O)C=C[C@H](O)[C@H](O)CCC(C)=C[C@@H]1C=C(C)[C@H](C)[C@@H]2[C@H](CC(C)C)NC(=O)[C@]12O 2356710908 YUXUTEAAGHFKKH-IHLKHFONSA-N 449.588 2.268 0 1 IEAF CCC(=O)N1CC2(C1)CN(C(=O)c1ccccn1)[C@H](CO)c1c2c2ccc(OC)cc2n1C 95868826 WNJLLGLVGYQEBD-HXUWFJFHSA-N 448.523 2.261 0 3 IEAF COc1ccc(S(=O)(=O)NC[C@H]2CCCN(C(=O)Cn3cnc4ccccc43)C2)cc1 12431675 YJEDMEBUBLLSLM-QGZVFWFLSA-N 442.541 2.262 0 1 IEAF CC(C)Cc1nn(CC(F)(F)F)c2[nH]c(=O)c3c(c12)CCN(C(=O)N1CCOCC1)C3 82222886 WHMRGPIYADBRQF-UHFFFAOYSA-N 441.454 2.296 0 1 IEAF O=C(Cc1ccccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95866412 MSSUKJNHUJFMOW-MVERNJQCSA-N 427.504 2.489 0 1 IEAF CN1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCC3)CNC5=O)nc2)CC1 168559095 NCACIGFDMRLLIY-UHFFFAOYSA-N 432.532 2.334 0 1 IEAF O=C(NCc1ccc(S(=O)(=O)c2cc(F)cc(F)c2)cn1)c1cnc2[nH]ncc2c1 206004425 ORZFIKBIPWUAQH-UHFFFAOYSA-N 429.408 2.394 0 1 IEAF C=Cc1ccc(S(=O)(=O)NC[C@@H]2C[C@@H]3O[C@H](CO)[C@@H](OCc4ccccc4)[C@@H]3O2)cc1 220716553 DZYKLFDQPZJAEY-LHLZYUOTSA-N 445.537 2.111 0 1 IEAF O=C1C(=O)N(CCn2cc(COc3cc(=O)oc4ccccc34)nn2)c2ccc(F)cc21 1772574936 FWCALDQWDFRQOR-UHFFFAOYSA-N 434.383 2.332 0 1 IEAF O=C(O)CCNC(=O)c1cc(-c2cccc3ccccc23)cc(C(=O)NCCC(=O)O)n1 29128812 QRHXNVNCCIQFIG-UHFFFAOYSA-N 435.436 2.311 0 1 IEAF O=C(O)Cn1nnc(-c2cc(OCCCOc3cc(F)ccc3Br)no2)n1 43200414 PDACCUWRIROUSQ-UHFFFAOYSA-N 442.201 2.162 0 1 IEAF O=C([C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2CC1CC1)N1CCCCC1 95881412 BADQSRGGHRKUPF-AZOUXBGGSA-N 448.567 2.296 0 1 IEAF O=C(O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)Cc1ccccn1 95884493 OUKGSGKLYXRNMA-NEKRIBJYSA-N 449.507 2.018 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F 95886056 FXMWNYSQGNRSJG-LCLWPZTBSA-N 449.548 2.098 0 1 IEAF O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903229 CEDMVILSAFEDMB-UWVAXJGDSA-N 433.505 2.142 0 1 IEAF O=C(CCN1CCCCC1)N[C@@H]1CC[C@@H](CCn2cc(-c3ccccc3)nn2)O[C@@H]1CO 95906363 RXYOGPNPKOIUIU-QZNHQXDQSA-N 441.576 2.236 0 1 IEAF O=C(c1nn(-c2ccccc2F)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 112940040 GCDCBGZTOCEZBC-UHFFFAOYSA-N 427.457 2.438 0 1 IEAF C#CCN(Cc1ccc([N+](=O)[O-])cc1)C[C@](O)(Cn1cncn1)c1ccc(F)cc1F 142522384 GJWXERQAKHDRRB-NRFANRHFSA-N 427.411 2.488 0 1 IEAF CCOC(=O)N1CCN(C(=O)[C@@H](NC(=O)c2cc(OC)c3ccccc3n2)C(C)C)CC1 143342223 WBAJHWMNXXEWLF-FQEVSTJZSA-N 442.516 2.299 0 1 IEAF Cc1cc(C)nc(N2C[C@H]3CN(C(=O)c4cc(F)c(F)cc4-n4nccn4)C[C@@H]3C2)n1 167214809 FSVYSEDKEGUOFP-HUUCEWRRSA-N 425.443 2.161 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)CC1 195125248 VMZGYYIBHIORNR-RVEDGADZSA-N 447.535 2.240 0 1 IEAF N=C(N)NCCC[C@H](NC(=O)CSCC(c1ccccc1)c1ccccc1)C(=O)O 299836969 OVJFQPIFXZBDKN-IBGZPJMESA-N 428.558 2.384 0 1 IEAF in-vitro COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Br)ccnc3[nH]2)[C@H](C)O)cc1 586935762 GIKIEHSYNGHQNY-ZANVPECISA-N 441.307 2.129 0 1 IEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586958588 JUISQPJNXDLMET-HNNXBMFYSA-N 449.432 2.325 0 1 IEAF CC(=O)N[C@H](Cc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)c1ccc(C)cc1 587216807 NHDSVAMBHDBLML-HXUWFJFHSA-N 442.541 2.312 0 1 IEAF C[C@@]1(c2cc(Br)ccc2F)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963205121 NFVAQPGSJVJUCR-YZVOILCLSA-N 433.281 2.333 0 1 IEAF NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(Cl)cc2)cc1 1857607769 RUQCHYCKAXSHSK-UHFFFAOYSA-N 446.916 2.313 0 1 IEAF O=C([C@H]1CCCO1)N1CCC(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CCC2)CC1 206492287 VFSOSQKLRYAENN-OAQYLSRUSA-N 446.569 2.320 0 3 IEAF COc1cc(C(=O)O[C@H]2C[C@H]3[C@H](OC(=O)c4cccn4C)C[C@@H](C2)N3C)cc(OC)c1O 36454749 FDOGTDAJEOKOQD-XYVMCAHJSA-N 444.484 2.365 0 1 IEAF COc1cc2c3c(n(CCCN4CCOCC4)c(=O)c2cc1OC)-c1ccncc1C3=O 84618557 SJQYBKNWOULVAC-UHFFFAOYSA-N 435.480 2.347 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 95600802 KRQAAGOFZVBHDO-NOOBJOLFSA-N 445.560 2.020 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(C)=O)CC31CN(C(=O)c2ccccc2)C1 95793839 FKYOZFFEXRTSML-NRFANRHFSA-N 433.508 2.476 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(=O)C1CCC1 95879036 RYCMYVQDTJVJFE-TWSJCRGDSA-N 448.519 2.482 0 1 IEAF NC1=N[C@@](c2cc(NC(=O)c3cnc(OCC(F)F)cn3)ccc2F)(C(F)F)COC1 113660041 KADQXWUYWQGVBV-SFHVURJKSA-N 445.348 2.360 0 1 IEAF O=C1CC[C@@H](N2Cc3cc(CNC(=O)Nc4ccccc4Cl)ccc3C2=O)C(=O)N1 116111317 XLLJOANDXFNPPG-QGZVFWFLSA-N 426.860 2.423 0 1 IEAF N#Cc1ccc2[nH]c(=O)n([C@@H]3CCN(C(=O)OC4[C@H]5CC6C[C@H]4CC(C(N)=O)(C6)C5)C3)c2c1 168441679 UTMJNDXJBCZLGU-SGVFRBSHSA-N 449.511 2.265 0 1 IEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 169294515 VUPXZFYWVQJPTN-RDNOGQQASA-N 441.963 2.085 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)C/C=C/[C@@H]1C 169353342 HHEXKUYCUJXZBF-XCXCMYPCSA-N 437.533 2.272 0 1 IEAF COC[C@H]1CN[C@H](C)CN1CC(=O)N1C[C@](C)(COC)c2ccc(Br)cc21 219014332 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COC[C@@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 100851312 QODLQMRVDCCJTB-NSHDSACASA-N 433.461 2.153 0 1 IEAF CN([C@@H]1CCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)C1)S(C)(=O)=O 139818742 DQAOPQBIBBKTDL-GOSISDBHSA-N 438.557 2.099 0 1 IEAF NS(=O)(=O)c1ccc(NC(=O)N2CCN(c3ncccc3C(F)(F)F)CC2)cc1 473087612 KWXYUGDPNTWQKV-UHFFFAOYSA-N 429.424 2.102 0 1 IEAF CC(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(=O)O)C(N)=O 1772641905 HGBFTMVUJWNXSM-OALUTQOASA-N 445.541 2.052 0 1 IEAF Cc1c(C(=O)N2CC(CNC(=O)OC(C)(C)C)C2)cnn1-c1nc(O)c2sccc2n1 1857609751 YAUMRVATHLKQHC-UHFFFAOYSA-N 444.517 2.488 0 1 IEAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@H]3CCOC3)C[C@]21C 13607535 BZHHZFMVJDKCIW-LBYCSHAESA-N 436.501 2.071 0 1 IEAF CC(C)[C@@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 13779857 AQIWTLCCMPNDGQ-LJQANCHMSA-N 430.549 2.465 0 1 IEAF O=C(N[C@H](Cc1ccc(O)cc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)O)c1ccccc1 28095360 NDMBLCSBXANGDL-UXHICEINSA-N 438.480 2.158 0 1 IEAF 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CWIUCTLMMSMTPK-UHFFFAOYSA-N 444.451 2.420 0 1 IEAF CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]1C 95690666 GJWLNKOJEVXCCA-GUXCAODWSA-N 441.594 2.274 0 1 IEAF CC(C)(CO)Nc1ncc(C(=O)NC2[C@@H]3CC4C[C@@H]2CC(O)(C4)C3)c(OC2CCC2)n1 101584846 FVDARAUNAZZETI-RHDQDTOGSA-N 430.549 2.260 0 1 IEAF CC(=O)O[C@H]1CCC(C)(C)[C@H]2C[C@@H](O)[C@@]34C(=O)[C@@H](C)[C@H](C[C@@H](OC(C)=O)[C@H]3[C@@]12C)[C@@H]4O 504652901 LGRQSRYHHCUXCE-MIWCZYNWSA-N 436.545 2.259 0 1 IEAF biogenic CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)CN1CCS(=O)(=O)CC1 587866685 JNAUAIYBIJQQGJ-UHFFFAOYSA-N 431.436 2.338 0 1 IEAF O=C(NCS(=O)(=O)c1ccccc1)[C@H]1CC[C@H](c2nnn3cnc4[nH]ccc4c23)CC1 1772581815 SRRXBKOXJAKVIC-SHTZXODSSA-N 438.513 2.427 0 1 IEAF CN1C(=N)N[C@](C)(c2sc(-c3cc(-c4nnco4)ncc3F)cc2F)CS1(=O)=O 1772587179 XBQWDFCCZDPOMK-INIZCTEOSA-N 440.457 2.153 0 1 IEAF COc1cc2ncn(CC(=O)N(C)C[C@H]3CCCN4CCCC[C@H]34)c(=O)c2cc1OC 2356708808 CZVAYSFOJQBQOW-VQIMIIECSA-N 428.533 2.137 0 1 IEAF 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CC(C)C[C@@H](NC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)C(=O)NCCCOC(C)C 15957007 KPDHGBNDPTXVDC-HSALFYBXSA-N 446.592 2.323 0 1 IEAF biogenic NCCCC[C@H](N[P@](=O)(O)CCCCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 26185553 PQURVZYNWRJZML-OALUTQOASA-N 439.493 2.358 0 1 IEAF CC(C)C[C@@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 26377668 NSNQFJJAOZCDFJ-WDSOQIARSA-N 435.565 2.150 0 1 IEAF COc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)C2 38460488 DRWJPOTZQUCTJY-UHFFFAOYSA-N 430.472 2.383 0 1 IEAF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2C(=O)C1CC1 43014866 NOCCVKMSIFGLNB-DEOSSOPVSA-N 432.432 2.378 0 1 IEAF COC(OC)[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 49111683 VAYVUYLKEYOOJT-ROUUACIJSA-N 436.599 2.213 0 1 IEAF CCC(CC)O[C@@H]1CC(C(=O)O)=C[C@H](n2cc(C3(O)CCCCC3)nn2)[C@H]1NC(C)=O 64528089 XHTKXCNFHWZERT-NLWGTHIKSA-N 434.537 2.464 0 1 IEAF Cc1nc([C@@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CCO 84758280 JGZOKWRUKQVHKG-WBVHZDCISA-N 438.500 2.203 0 1 IEAF 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O=C(O)C[C@@H](C(=O)O)N1C(=S)SC/C1=C1/C(=O)Nc2ccc(Br)cc21 1772632039 XGWVFNPSMDKMPF-ZJVCQKQLSA-N 443.300 2.374 0 1 IEAF COc1ccc(C(=O)N[C@@H]2CCC[C@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 2356500006 OJCPZUDQYKWDKT-ZWKOTPCHSA-N 442.516 2.055 0 1 IEAF COC(=O)C1CCN(C(=O)[C@H]2CN3CC[C@H]2C[C@H]3Cn2cc(-c3ccccc3)nn2)CC1 2356874351 YVKFEEAYCBHIKW-ACRUOGEOSA-N 437.544 2.067 0 1 IEAF CN(C)CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3c(c2)OCO3)C1=O 13489195 KEAPMISKVGBQTI-NTKDMRAZSA-N 446.507 2.143 0 1 IEAF COc1ccccc1CNC(=N)c1ccc(C2=NO[C@@H](CC(=O)NCCC(=O)O)C2)cc1 26290352 HTKQOPDYLSNJQL-GOSISDBHSA-N 438.484 2.284 0 1 IEAF Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(C(F)F)c21 27859079 WKYKQELLARVFBY-UHFFFAOYSA-N 433.390 2.430 0 1 IEAF CCCCNc1ncc(C(=O)NCCNC(C)=O)c(-c2cc(OC)c(OC)c(OC)c2)n1 82144630 XOMFIUTUEHOHFE-UHFFFAOYSA-N 445.520 2.247 0 1 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O 86010057 ISKLVGANHNNXLD-FXJJGOGXSA-N 431.441 2.153 0 1 IEAF biogenic Cc1nnc(-c2cn(CCCCO)c(Cn3c(=O)n(C4CC4)c4ccncc43)n2)s1 95590493 PFSQUAKQHKLPQR-UHFFFAOYSA-N 425.518 2.377 0 1 IEAF O=C(CCN1CCCCC1)N[C@H]1CC[C@H](CCn2cc(-c3ccccc3)nn2)O[C@@H]1CO 95605470 RXYOGPNPKOIUIU-FUPPJEDESA-N 441.576 2.236 0 1 IEAF COC(=O)[C@@H](C)N[P@](=O)(OCC=C=Cn1cnc2c(N)ncnc21)Oc1ccccc1 100819814 ZWOUVTOOKNGCTM-KVGZLURASA-N 444.388 2.389 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCC1 104411496 RPHPHNVVDAHDDN-FSAGPXTJSA-N 429.561 2.053 0 1 IEAF COc1ccc(C(=O)N2C[C@@H]3CN(c4nc(C)c(F)c(C)n4)C[C@H]3C2)c(-n2nccn2)c1 116823483 OMLRZKUXAYHIPR-HZPDHXFCSA-N 437.479 2.030 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@H]3c4ccccc4O[C@@H]3C2=O)CC1 169293510 RNPHYHTVIULEDY-XGRCMKMKSA-N 436.512 2.260 0 1 IEAF Nc1ncc(-c2ccc(-c3ccccc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1 224814681 LHWFZVLYYAXYFF-UHFFFAOYSA-N 426.473 2.403 0 1 IEAF O=C(O)C(=NC(=O)[C@@H](CS)CCc1ccccc1)c1ccc(Cn2cnnn2)s1 263620375 DUKDFMPUZRDWLT-CQSZACIVSA-N 429.527 2.362 0 1 IEAF in-vivo CC(=O)Nc1nc(C(=O)Nc2nc(C(=O)Nc3nc(C(=O)O)cs3)cs2)cs1 1772656779 WNYUBOGJEZLRRH-UHFFFAOYSA-N 438.472 2.217 0 1 IEAF CCCCCC[C@H](O)CCCCCCC=C[C@H](O)[C@H](OC(C)=O)[C@H](O)[C@H](N)C(=O)O 2356660857 OOEOVXMORBPOKC-FCMAGTKHSA-N 431.570 2.280 0 1 IEAF CC1=C[C@H](CN2CCN(CCO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356815437 CRKANTHHUDYECC-HBMCJLEFSA-N 442.608 2.477 0 1 IEAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3c(NC(=O)CSC)ccc2=O)cc1 25435849 ZBGRVRHPXRRQIP-ZBFHGGJFSA-N 427.526 2.418 0 1 IEAF biogenic COC(=O)[C@@H](C)N[P@@](=O)(CO[C@H](C)Cn1cnc2c(N)ncnc21)Oc1ccccc1 26003333 CHUKKLIYPXUHTH-JUUBXWOQSA-N 448.420 2.194 0 1 IEAF CC(C)C[C@H](NC(=O)c1cccc2c1N[C@H]1C=CC=C[C@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27208054 SOWCNGSORKLXDE-CKBXSBTMSA-N 443.569 2.435 0 1 IEAF CN(C)CCN1C(=O)CC[C@@H](N2C(=O)C(c3ccccc3)=C(c3ccccc3)C2=O)C1=O 38398978 AOPUCXJOQDSGGJ-LJQANCHMSA-N 431.492 2.045 0 1 IEAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)OC[C@@H]1CCCN1C 82082525 QUHLWHOGFDSXAN-HNAYVOBHSA-N 429.473 2.462 0 1 IEAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]2N1CCC 95879383 OKYNCYSHBAIWIK-RLBLXZPPSA-N 439.556 2.424 0 1 IEAF Cc1cc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)ncc1S(=O)(=O)NC1CC1 203856925 FGFPLDKODKMIRV-UHFFFAOYSA-N 449.536 2.428 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@H]2Cn2ccc(-c3ccc(F)cc3)n2)n1 210611097 QTGVVJKIDVNSKU-FQEVSTJZSA-N 433.447 2.472 0 1 IEAF Cc1cnn(-c2cc(-c3cc(F)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)ccn2)c1 219616679 OJGHMQGAJTWXOQ-SFHVURJKSA-N 434.522 2.248 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 253671077 GFWCASGSHHDONA-HGGGDRJSSA-N 441.487 2.242 0 1 IEAF CC1(C)[C@H]2CC[C@]1(C)C[C@H]2NC(=O)[C@@H](CC1CC1)NC(=O)N[C@@H](CCCCN)C(=O)O 473114716 PFLUEQHIMCTTNI-RJYKNLHPSA-N 436.597 2.368 0 1 IEAF C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@H]2[C@H]1C 618014380 XQHFDFNKFUQLTB-UJDAFLPVSA-N 448.614 2.243 0 1 IEAF CCOC(=O)[C@]12CCCC=C1N(Cc1ccco1)C(=O)[C@H](CC(=O)N1CCOCC1)C2 169303186 SZTUSCKJAHEIIR-HXOBKFHXSA-N 430.501 2.494 0 3 IEAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cc1 1780948 WSHCKOLBMMLRCW-FGZHOGPDSA-N 436.508 2.287 0 1 IEAF C[C@H]1C[C@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 3957677 JUYUFPQHYYORJK-OKZBNKHCSA-N 448.637 2.366 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3cccc4ccc(Cl)cc34)[C@H]2SC1 40374912 KPZCKTSDLFQVDS-SPYBWZPUSA-N 431.901 2.252 0 1 IEAF O=c1[nH]ccc2c(Cc3nnc4ccc(-c5cnn(C6CCNCC6)c5)nn34)cccc12 73196406 KDAUSEFTWDPYOA-UHFFFAOYSA-N 426.484 2.345 0 1 IEAF CCCn1c(=O)c2[nH]c(-c3cnn(CC#Cc4cccc(C#N)c4)c3)nc2n(CCC)c1=O 88247882 FHLXWINWSHYMAX-UHFFFAOYSA-N 441.495 2.493 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)NC[C@@H]1C 95688285 MUAQGGJYISSHLV-MRUHUIDDSA-N 433.549 2.145 0 1 IEAF O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccccc1 95879510 NXVVMBSRACJMDP-SQMBMXPBSA-N 429.476 2.291 0 1 IEAF NC1=N[C@](CF)(c2cc(NC(=O)c3ncc(Br)cc3O)ccc2F)COC1 113661635 UYYHMVGSGAVEBQ-KRWDZBQOSA-N 441.232 2.493 0 1 IEAF COc1cc(C(F)(F)F)cc(SC)c1C(=O)N[C@H]1COCC[C@@H]1N1CC[C@H](O)C1 147778810 DBLRCMREIKQWNT-IHRRRGAJSA-N 434.480 2.390 0 1 IEAF Cc1ccc(N2CCN(C)CC2)cc1Nc1ncc2c(n1)-c1c(c(C(=O)O)nn1C)CC2 169687799 NIYZKZFROMUIEF-UHFFFAOYSA-N 433.516 2.478 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@@](C)(O)C4)ncc3F)C2)cc1 261144512 NQESSBASKFXBHD-FCORRRHLSA-N 443.523 2.432 0 1 IEAF CCc1ccc(-n2cc(-c3ccc(CC[C@@](N)(CO)COP(=O)(O)O)cc3)nn2)cc1 299833635 HWWXHJZEJUIBPR-OAQYLSRUSA-N 446.444 2.228 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@@H]1C(=O)NC[C@H](C)O 299882290 PLBSIJJCQFWNPD-KVSKMBFKSA-N 429.542 2.100 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccsc2)N[C@H](c2ccsc2)[C@@H](C(=O)OCC)S1(=O)=O 653779719 RRNHHXJBGBWMPZ-FZKCQIBNSA-N 443.568 2.473 0 1 IEAF COc1ccc(C(=O)N[C@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)cc1 2356500002 OJCPZUDQYKWDKT-MSOLQXFVSA-N 442.516 2.055 0 1 IEAF COc1cc(C[C@H](CO)[C@H](C[C@H](CCC[C@H](C)O)OC(C)=O)OC(C)=O)ccc1O 2356545907 RUDBRFGTOROPKF-UEXHFKJGSA-N 426.506 2.356 0 1 IEAF NCCC[C@@H](N)[C@H](O)CN[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 13587028 OWDXRKBOLKWJAT-GMKZXUHWSA-N 435.572 2.191 0 1 IEAF COC(=O)[C@@H](C)N[P@](=O)(OCC=C=Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26269735 QKKZHFYFOSZJAV-KVGZLURASA-N 445.372 2.100 0 1 IEAF C[C@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3cc(C[n+]4ccc(N)cc4)c4ccccc4c3)C[C@H]12 26731369 NICNLJNTVQERCG-GAQQMNMRSA-O 430.484 2.165 0 1 IEAF O[C@]1(c2ncccn2)CCCN(c2nnc(N3CCC(N4CCCCC4)CC3)s2)C1 84651873 WVCQFPYIAZALNI-OAQYLSRUSA-N 429.594 2.271 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@H]2CC[C@@H](CCNC(=O)C3CCCCC3)O[C@H]2CO)cc1 95908240 DVSDZAFRLPIFCS-JBACZVJFSA-N 438.590 2.268 0 1 IEAF CC(C)(O)CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 116881355 KLTVYCHNHMTZNG-KDURUIRLSA-N 430.593 2.365 0 1 IEAF C[C@@]1(c2cc(NC(=O)[C@@H]3CCC3(F)F)ccc2F)CS(=O)(=O)[C@]2(CCOC2)C(=N)N1 147247630 RZUQXEBCUFXLCE-IGNZVWTISA-N 445.463 2.179 0 1 IEAF Cc1cccc(C)c1C(=O)N1CCC(C(=O)NN2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)CC1 169290893 VMZGYYIBHIORNR-NVLJRBADSA-N 447.535 2.240 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 299887036 YFGHLJOXLFMJBE-SUMDDJOVSA-N 435.590 2.481 0 1 IEAF CC(=O)Nc1cc2c(cc1NC(=O)Cn1nc(-c3ccccc3F)ccc1=O)OCCO2 4411617 SSYOTSYKSIDGFH-UHFFFAOYSA-N 438.415 2.418 0 3 IEAF CC1CCN(CCNC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)CC1 9678326 MNOKWOUDLPBYHS-UHFFFAOYSA-N 444.601 2.484 0 1 IEAF O=C(O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 13152978 AIWUHOMYUGXUCX-ZGXWSNOMSA-N 440.477 2.031 0 1 IEAF COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 28456848 BGERUPJMWXMVEG-UHFFFAOYSA-N 427.432 2.294 0 1 IEAF C=CCO[C@@H]1C[C@@H]2C(=O)N3CC[C@@H](NC(=O)Nc4cccc(SC)c4)C[C@@H]3C(=O)N2C1 33674708 HCLMUWQUZYRFNR-PSBWJHGTSA-N 444.557 2.075 0 1 IEAF biogenic CN1CCc2cc3c(cc2[C@]12NC(=O)c1cc4c5c(ccc4c(O)c1C2=N)OCO5)OCO3 38232362 LUXLOXDDGNJPIC-DEOSSOPVSA-N 445.431 2.455 0 1 IEAF biogenic Cn1cnc2c(c(Nc3ccc(I)cc3F)cc(=O)n2C)c1=O 66138240 KZRPLGCWNHYBDB-UHFFFAOYSA-N 426.189 2.120 0 1 IEAF Cc1noc(C)c1NC(=O)NCC[C@H]1CC[C@@H](NC(=O)c2ccc(F)cc2)[C@@H](CO)O1 95677750 VZLRHERICGIZBB-KZNAEPCWSA-N 434.468 2.281 0 1 IEAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C 95688311 CBUFPLKBNRJCSB-LLGFUMIMSA-N 435.565 2.488 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@H]3c4ccccc4N[C@@H]3C2=O)CC1 169290310 GZRHSNKERQYZPU-XGRCMKMKSA-N 435.528 2.293 0 1 IEAF COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)NCCCCO)c2n1 169704228 AOJMWGVTAHSRAA-QGZVFWFLSA-N 428.468 2.116 0 1 IEAF C/C=C1/CN(C)CC[C@]23C(=O)C[C@@H]1[C@H]1CO[C@@H](OC)C(=O)N(c4ccc(OC)cc42)[C@@H]13 238770246 ZCTHOTXPRNWRNQ-ZKOSMSMXSA-N 426.513 2.138 0 1 IEAF CS(=O)(=O)CCc1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2cc(Cl)ccn12 299852590 VBHUDCXGFXRLFM-UHFFFAOYSA-N 445.932 2.469 0 1 IEAF CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3C[C@@H]2NC(=O)c2ccc3c(ccn3C)c2)C1 1857645006 SQZANCWDFOCKIV-PMVMPFDFSA-N 432.524 2.021 0 1 IEAF CC(=O)N1CCC(NC[C@@H]2O[C@@H](Cc3cc(COc4ccccc4)on3)CC[C@@H]2O)CC1 2356473726 OFQZISBORONQTO-NHTMILBNSA-N 443.544 2.305 0 1 IEAF O=C1NC[C@@H](COc2c(Br)cc([C@H]3CNC(=O)O3)cc2Br)O1 13450709 ZAXCQPPMIUFZFV-OIBJUYFYSA-N 436.056 2.480 0 1 IEAF biogenic CN1CCN(CCCNC(=O)[C@H]2CCCN2C(=O)c2csc(-c3ccccc3)n2)CC1 82072991 RNAOYHPVQAEEOB-HXUWFJFHSA-N 441.601 2.168 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@H]1CO2 95888026 OFOMNITYAMQOJA-KPFFTGBYSA-N 429.517 2.332 0 1 IEAF Cc1c(NC(=S)Nc2ccc(C(=O)NCC(=O)O)cc2)c(=O)n(-c2ccccc2)n1C 96928663 MNCKXWXPZRJWGW-UHFFFAOYSA-N 439.497 2.108 0 1 IEAF CN(C)C(=O)[C@@H](CC1CCC1)NC(=O)c1cnc(N2CC(F)(F)C2)c(OCC2CC2)n1 219204829 DGGWVAGZDHWTKY-OAHLLOKOSA-N 437.491 2.098 0 1 IEAF CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(\C)O)C[C@H](C)C(=O)CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O 238761972 FPVYXQIHBCMREG-PMNIGTJBSA-N 436.457 2.082 0 1 IEAF CS(=O)(=O)NC[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F 299839160 RVPBGNOMMIGRLE-WGDDSDEBSA-N 447.523 2.073 0 1 IEAF O=S(=O)(c1ccc2nc(C3(c4ccc(O)cc4)CCOCC3)[nH]c2c1)N1CCOCC1 586913449 LEQQONGMCIAGCA-UHFFFAOYSA-N 443.525 2.386 0 1 IEAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(F)cc(C(=O)O)c3[nH]2)c1 587232287 VVHMDRFJXABRRN-UHFFFAOYSA-N 428.420 2.348 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 587754935 FPMUPLCYVAKCRZ-SBKAZYGRSA-N 449.324 2.275 0 1 IEAF CNc1cc(F)cc2c3c(N4CC[C@@H](N)C4)[nH]c(CNC(=O)c4cccnc4)nc-3nc12 1857652206 MHZCSUMGOOSWPG-CQSZACIVSA-N 434.479 2.106 0 1 IEAF CCCCc1c(O)n(-c2ccccc2OC)c(SCC(=O)N2CCOCC2)nc1=O 100642756 ZNXDILWQNNRIDW-UHFFFAOYSA-N 433.530 2.240 0 3 IEAF COC(=O)c1cn([C@@H]2CO[C@@H]3[C@@H](OC(=O)Nc4cccc(C(F)(F)F)c4)CO[C@@H]32)nn1 36365447 JGUZKXNUIYDALY-LXTVHRRPSA-N 442.350 2.040 0 1 IEAF biogenic Cc1cn(C[C@H]2CN(c3ccc(N4CCN(C(=O)C5CCC5)CC4)c(F)c3)C(=O)O2)nn1 43015643 OOTQETJCQQBCBQ-SFHVURJKSA-N 442.495 2.200 0 1 IEAF CCCCO[C@@H]1C[C@@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82219329 UZHUMYVNAXQYRV-CPUCHLNUSA-N 442.940 2.254 0 1 IEAF COCCNc1ncnc2c(Nc3ccccc3SC)nc(N3CCNCC3)nc12 84633267 HLBHCLSWXWEMKG-UHFFFAOYSA-N 426.550 2.353 0 1 IEAF O=C(C[C@@H]1C[C@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@H]2[C@H](CO)O1)NCC1CC1 95900923 LGHYMYOTKHNHQJ-RAKJYXHLSA-N 437.496 2.245 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 253671068 GFWCASGSHHDONA-CXIPVQCASA-N 441.487 2.242 0 1 IEAF Cc1ccc2c(c1)/C(=c1/sc(=Cc3ccc(F)c(F)c3)c(=O)n1CCN(C)C)C(=O)N2 254103727 XQPZRYRYZAOGCE-UFHKUIRSSA-N 441.503 2.038 0 1 IEAF N[C@@H](Cc1ccccc1Cl)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587059014 LAUOEBHCJYOQOW-SFHVURJKSA-N 427.936 2.209 0 1 IEAF COC(=O)C1=C(CN2CC[C@H](O)C2)NC(c2nccs2)=N[C@@]1(C)c1ccc(F)cc1 1857591344 XFFIFRFGQKYAMX-BTYIYWSLSA-N 430.505 2.041 0 1 IEAF O=C(O)CCC/C=C\C[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1OC[C@@H](O)COc1cccc(Cl)c1 3940958 HKIVGBPAUZBIOJ-MSKGSUGCSA-N 428.909 2.408 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc2c(c1)N(CC(=O)Nc1ccc(F)cc1)C(=O)CO2 8598407 LCSFAQPOCSFRMQ-UHFFFAOYSA-N 435.477 2.220 0 1 IEAF Cc1nc(NCc2ccc3c(c2)OCO3)ncc1C(=O)N1CCN(c2ccccn2)CC1 15778400 ONXUZSBFFAGZLN-UHFFFAOYSA-N 432.484 2.483 0 1 IEAF COc1ccc(-c2nc3c(nc2-c2ccc(OC)cc2)N(C)S(=O)(=O)N=C3N)cc1 17218745 GPRRHLKURLZYPL-UHFFFAOYSA-N 425.470 2.228 0 1 IEAF COC(=O)[C@H](C)N[P@](=O)(OC/C=C/Cn1cnc2c(N)ncnc21)Oc1ccccc1 26270290 XZMWWDJOKLNHNR-OKWZZDABSA-N 446.404 2.320 0 1 IEAF C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 95675624 KEJHSICNFQEVJK-WUHBCXKYSA-N 448.516 2.056 0 1 IEAF CN(C1CC1)S(=O)(=O)c1ccc(-c2cc(-c3ccc4c(c3)CCNC4=O)c(N)nn2)cc1 203854864 RXSURCRDZPWEKI-UHFFFAOYSA-N 449.536 2.462 0 1 IEAF CN(C)[C@H](Cn1c(O)ccc1OCC[C@H](N)C(=O)O)c1cccc(Br)c1 587941743 VJNYSVSDYKVECP-LSDHHAIUSA-N 426.311 2.440 0 1 IEAF CN1C(=O)C[C@H]2CN[C@](c3ccc(N4CCNCC4)nc3)(C(F)(F)F)c3cccc1c32 963022252 IJDFULMVACHKID-QKKBWIMNSA-N 431.462 2.350 0 1 IEAF CO[C@@H]1COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)CCC[C@H]1C 8035591 CFJGJPUDSVAWMO-UWJLIRLQSA-N 439.549 2.496 0 1 IEAF COc1ccc(CNc2nc(N(CCO)CCO)nc3c2ncn3C2CCCC2)cc1 26580032 OJWSEKLDYDUVFC-UHFFFAOYSA-N 426.521 2.353 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@@H]3c4ccccc4O[C@@H]3C2=O)CC1 40938262 RNPHYHTVIULEDY-USCONSEESA-N 436.512 2.260 0 1 IEAF CCC(=O)N1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C 95688240 ANPLQDSRLDYPOL-QINHECLXSA-N 449.548 2.014 0 1 IEAF O=C(O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4Sc5nc(O)sc5[C@H](c5ccccc5)[C@H]34)[C@@H]2C1=O 169293622 GBYMFODZINXBOP-UGMYVOLWSA-N 442.518 2.407 0 1 IEAF C[C@H]1C(=O)N(Cc2ccc(OCCN3CCOCC3)cc2)[C@]1(Cc1ccccc1)C(=O)O 210187927 INQONUZORXTJKZ-DFBJGRDBSA-N 438.524 2.442 0 1 IEAF CCN1C(=O)[C@H](c2cc(O)n[nH]2)[C@@]2(N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c2ccccc21 963522600 FQAVVCODNNPBGI-CODAWKSHSA-N 448.479 2.122 0 1 IEAF Cc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@H]3CCOC3)CC2)CC1 1772644638 XGZLXVXPCIKYEL-NRFANRHFSA-N 425.577 2.430 0 1 IEAF CCNC(=O)c1ccc(Nc2ncc(F)c(N3C[C@H]4CC[C@H](C3)N4C(=O)C3CC3)n2)nc1 1857550089 GMSCQYTUKFXFDK-HZPDHXFCSA-N 439.495 2.094 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3nn(C)cc3Nc3ncnc4[nH]ccc34)cc2)CC1 1857748363 CSCSAHUCOGYAGZ-UHFFFAOYSA-N 445.531 2.435 0 1 IEAF COc1ccc(CNC(=O)[C@H]2CCC[C@@H](NC(=O)c3cc(C)on3)CN(C)C(=O)C2)cc1 2356594605 WXSIEOSSXOUUNP-ZWKOTPCHSA-N 442.516 2.055 0 1 IEAF COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@@H](NC(=S)NCC(C)C)CO[C@H]34)n2)cc1 2356728032 XETDTOLQFSGAMZ-IYWMVGAKSA-N 443.573 2.219 0 1 IEAF O=C(O)[C@@H](CCCCn1cnc2c1NC=NC[C@H]2O)C(=O)NCc1ccc(Cl)cc1 13807808 CEZUBTIRYSPQFO-JKSUJKDBSA-N 433.896 2.211 0 1 IEAF CCC(=O)N1CC2(C1)CN(CC1CCOCC1)[C@@H](CO)c1c2c2ccc(OC)cc2n1C 95865130 CGHYDWXRZBVQRQ-NRFANRHFSA-N 441.572 2.453 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2Cc1cccnc1)c1ccccc1 95880101 YEKDNFMIHNYWEE-DSBSCMLLSA-N 444.535 2.285 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@@H]([C@@H]1CO)N2CCc1ccccc1 95881324 VVUFFLHQISDCRV-IQFVJIFQSA-N 445.519 2.290 0 1 IEAF CC[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1 96172758 VYAUNZPPKOMESP-INIZCTEOSA-N 438.521 2.463 0 1 IEAF Cc1ccc(C(=O)Nc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1F 205025913 ZWBGIVRPYAFQIC-CHHVJCJISA-N 435.419 2.184 0 1 IEAF CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C3(C)COC3)c(=O)c2=O)c1O 207353544 UNCINWBLAXGFOS-FQEVSTJZSA-N 425.441 2.216 0 1 IEAF O=CN1CC[C@@]23C[C@@H](O)CC[C@@H]2[C@H]1Cc1cc(Oc2nnnn2-c2ccccc2)cc(O)c13 254075417 FTZMSPHFNOLQKD-CSNZXNIXSA-N 447.495 2.346 0 1 IEAF CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=C[C@@H]2C(C)=NN[C@@H]12 261137309 MIYUGXOUAPBAGJ-MOPGFXCFSA-N 436.560 2.135 0 1 IEAF CCCC(=O)N[C@@H](Cc1c[nH]c2ccc(OCCCN3CCN(C)CC3)cc12)C(=O)O 473137255 XKLCAWXWABHIOY-NRFANRHFSA-N 430.549 2.096 0 1 IEAF CCOC(=O)C[C@]1(c2ccn(C)n2)N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629895 INMGLCAYHAXLGT-KSSFIOAISA-N 427.379 2.114 0 1 IEAF Cn1cc(NC(=O)c2cccc(-c3ccnc(NCC4CCOCC4)c3)n2)c(C(N)=O)n1 1857590044 INTFQTHMHJDKBR-UHFFFAOYSA-N 435.488 2.067 0 1 IEAF C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(CCN4CCCC4)cc3)n2)C1 1857649982 APJMAQHTUILKLX-FQEVSTJZSA-N 448.571 2.443 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CCO[P@](=O)(CNC(C)=O)N[C@H](Cc1ccccc1)N[C@@H](CCSC)C(=O)O 100683529 HBPDXBYVKDZYAK-ANAQZDLVSA-N 431.495 2.264 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@H](C)O)ncc3F)C2)cc1 261129748 KXCKQNGEDFXQDR-YZVOILCLSA-N 431.512 2.288 0 1 IEAF COc1ccc(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@H]3CCCO3)n2)cc1OC 299885205 VBRLRGVQIGEWOV-UXLLHSPISA-N 433.530 2.062 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@@H](C)O)cc1 586938244 PKRNOSWGMKUQET-ABKXIKBNSA-N 441.412 2.293 0 1 IEAF O=C1COc2cc3[nH]c(CNS(=O)(=O)c4ccc(Br)s4)nc3cc2N1 586943284 YNVWRMZHHXOUAP-UHFFFAOYSA-N 443.304 2.196 0 1 IEAF O=S(=O)(c1ccc2nc(O)cc(-c3nc4cc(F)cnc4[nH]3)c2c1)N1CCOCC1 586960752 OBBQXAUOGKMBCJ-UHFFFAOYSA-N 429.433 2.039 0 1 IEAF CC(=O)C[C@@]1(c2cc3c(=O)oc(C)cc3oc2=O)N[C@H](C(=O)O)Cc2cccc(F)c21 962905287 ZPWCOIVDFVZNQL-AOMKIAJQSA-N 427.384 2.015 0 1 IEAF NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc([C@H](O)CO)s1 1857607426 MHTLFAPXOJXGHR-ZIAGYGMSSA-N 441.435 2.008 0 1 IEAF 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JJFUWYPZWWSSRL-UHFFFAOYSA-N 447.395 2.360 0 1 IEAF COC(=O)C(=O)C[C@]1(c2[nH]c(C)c(C(=O)OC)c2C)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587438372 NYQDNZKUJBJNMW-FATZIPQQSA-N 441.436 2.202 0 1 IEAF Cn1c([C@@H]2NCC3(CCOCC3)c3cccc(C(F)(F)F)c32)nc2c1c(O)nc(=O)n2C 962948713 BMSMRRUPNYJNKG-CQSZACIVSA-N 449.433 2.132 0 1 IEAF O=C(O)c1[nH]c2ccc(Cl)cc2c1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963226892 YHOTXPBARNVILR-SUNYJGFJSA-N 439.859 2.090 0 1 IEAF Cn1cc(-c2ccc(Cn3cc(C(=O)N[C@H]4CCOC[C@@H]4O)c4ncccc43)cc2)cn1 1857643417 UHRBNANVNMAJTF-UNMCSNQZSA-N 431.496 2.365 0 1 IEAF Cc1ccc(CN2CC[C@@H](NC(=O)CNC(=O)c3cc(C(F)(F)F)ccc3N)C2)cc1N 29125648 NOGPHHMBVTVGAF-MRXNPFEDSA-N 449.477 2.299 0 1 IEAF COc1ccc(CCNC[C@H](O)CN(C)S(=O)(=O)c2cccc3cnccc23)cc1 29129724 OWFFPEJRTLFSIY-IBGZPJMESA-N 429.542 2.057 0 1 IEAF O[C@H]1CCN(C/C=C/I)C[C@@H]1N1CCN(c2ccccc2)CC1 40564243 VRYCGFIQYQENPX-AEEZDXSHSA-N 427.330 2.193 0 1 IEAF CC[C@H](COC)Nc1nc(N(C)CCN(C)C(=O)COC)nc2cc(OC)c(OC)cc12 82118204 CNQMRVCYPICMJI-OAHLLOKOSA-N 449.552 2.025 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1)c1ccccc1 95880100 YEKDNFMIHNYWEE-KTBWBGJDSA-N 444.535 2.285 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccc(F)c4)c3=O)[C@@H]1N2CC1CC1 95880587 ZXCGETRNQDLAIC-YJMBLLCNSA-N 425.504 2.116 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)N3CCCCC3)[C@H]2N1C(=O)C1CCC1 95881494 RGMNVADEAWNQHQ-KNVIFDRLSA-N 439.556 2.184 0 1 IEAF COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 95903177 HFIMGBHSBJMCIP-SQKDIAQBSA-N 441.436 2.225 0 1 IEAF Cn1cnc(S(=O)(=O)N2C[C@@H]3[C@@H](CC[C@H]3NC(=O)c3ccccc3C(F)(F)F)C2)c1 169313626 HNZDIBUMTJVUGG-JGGQBBKZSA-N 442.463 2.268 0 1 IEAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)[C@H](C(=O)OC)CC1=O 587807025 KPWGDSWOMLRYHM-VRDVMMCMSA-N 442.281 2.259 0 1 IEAF CCc1nc2ccc(C(=O)NCCCN3CCCC3=O)cn2c1N(CC)CCN(C)C 61903890 CIQBWIOJLJADRW-UHFFFAOYSA-N 428.581 2.027 0 3 IEAF O=C(NCc1ccc(F)cc1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2CC1CCCC1 95881400 MUAUKWAILLHBOA-NAMDQGSHSA-N 439.531 2.458 0 3 IEAF COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@@H]3C[C@H]1O)O2 29569491 SDDDJXPNYQPJCG-KAXBHELOSA-N 446.496 2.187 0 1 IEAF CCOC(=O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1cn(C[C@H]2OCOC2(C)C)nn1 84739705 CUXQIJKULUWTHG-SCTDSRPQSA-N 446.529 2.249 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(Cc1nccs1)CC31CN(C(C)=O)C1 95867417 ZEGJXTYBHOELHQ-GOSISDBHSA-N 426.542 2.293 0 1 IEAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@@H]2CCOC2)nc1OC1CCC1 101584961 WOGPRQJEAZLPIH-JEWMDCEHSA-N 428.533 2.278 0 1 IEAF COc1cc(NC2CCOCC2)cc(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 217068724 GFXLSHVWLGUQDB-HSZRJFAPSA-N 439.556 2.435 0 1 IEAF COC(=O)c1cc2nc(CNS(=O)(=O)c3ccc(Br)s3)[nH]c2cn1 586943306 ZTLCBXABJVZWIS-UHFFFAOYSA-N 431.293 2.047 0 1 IEAF N[C@@H](Cc1ccccc1)C(=O)NC(=O)c1ccc(NC(=O)N2Cc3cccnc3C2)cc1 1772657213 HLAYDPLTZQDQNX-FQEVSTJZSA-N 429.480 2.456 0 1 IEAF CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 2356301789 FLYGGFZKHIYWCC-GOSISDBHSA-N 426.498 2.386 0 1 IEAF CCSc1nnc(-c2ccc(S(=O)(=O)N3CCOCC3)cc2)n1C[C@H]1CCCO1 924279 KBYQMUDUZVTZSL-MRXNPFEDSA-N 438.575 2.257 0 3 IEAF CCOC(=O)c1cccc(NC(=O)CN(C)S(=O)(=O)c2cc(OC)ccc2OC)c1 201466681 WZVIYCNEUHVIDP-UHFFFAOYSA-N 436.486 2.140 0 3 IEAF COc1cccc(CNC(=O)[C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C[C@@]34C=C[C@H]2O4)c1OC 263590751 NPQQCFDNFFJUSH-JKPKGCNWSA-N 434.492 2.302 0 3 IEAF O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1)[C@@H]1C[C@H]31 13603583 VUPXZFYWVQJPTN-PJOLERSMSA-N 441.963 2.085 0 1 IEAF COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1OC 18042795 KSCDSUXUJDYGRH-QZTJIDSGSA-N 425.485 2.325 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]1N2C)c1ccccc1 95880237 PHKYBFDSCWYMMN-UYUJXXBBSA-N 444.535 2.381 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1C2C[C@@H]3C[C@@H](C2)CC1(O)C3 100065967 HDLZHQFBHVJHLK-MUPZSYQQSA-N 438.494 2.278 0 1 IEAF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(O)cc2[nH]1 586935831 JKEHBHXROLMQCY-OAHLLOKOSA-N 443.934 2.376 0 1 IEAF O=C(/C=C/c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)Nc1ccc(F)cc1 587167603 WTMHOMQMLFGNBT-BQYQJAHWSA-N 430.461 2.375 0 1 IEAF Cn1nc(-c2nc3cnc(C(F)(F)F)[nH]c-3n2)c(I)c1C(=O)O 587179600 BZAZESYQIFQLLW-UHFFFAOYSA-N 438.107 2.027 0 1 IEAF COc1ccc2cc(CN(C[C@@H]3COCCO3)S(=O)(=O)c3ccccc3)c(=O)[nH]c2c1 8586486 VBQDDBCYKDFDDV-LJQANCHMSA-N 444.509 2.143 0 3 IEAF CS(=O)(=O)c1ccc(CN2CCN3C(C(=O)Nc4ccccc4)=COC3=NC2=O)cc1 206394840 CKDUPNOIUDIPML-UHFFFAOYSA-N 440.481 2.194 0 3 IEAF Cc1cccc2c1O[P@@](=O)(OC[C@H]1C[C@@H](O)[C@@H](n3cnc4c(N)ncnc43)O1)OC2 26721004 ANQWWUWQNXMQBV-KNDFWCDDSA-N 433.361 2.099 0 1 IEAF O=C(O)[C@H]1CCCN1C(=O)Cc1ccc(CC(=O)N2CCC[C@@H]2C(=O)O)c2ccccc12 82101578 HPBMSFHSKAZEQO-WOJBJXKFSA-N 438.480 2.076 0 1 IEAF COC1=C2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@H](OC(C)=O)[C@H]1OC(C)=O 85885755 ZYHWPODSLMIRCA-AIVLZAJPSA-N 431.485 2.066 0 1 IEAF biogenic COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2cccc(C)c2)C1 95664751 CBABKMAMAPWWJY-IBGZPJMESA-N 441.553 2.074 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N(C)C)N(Cc3cccc(F)c3)[C@@H]21 95881344 WNLLOSWHNSGOOP-HMXNHIKPSA-N 425.504 2.273 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCOC[C@H]2Cc2cccc(-n3cccn3)c2)n1 205660111 ZITMXEDGKUYCKA-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@H](C)O)cc1 586937744 NCUYTBNQKOUYSJ-VFZGTOFNSA-N 430.408 2.386 0 1 IEAF Cc1ccn2ccnc2c1N1CCCN(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)CC1 1772644639 XGZLXVXPCIKYEL-OAQYLSRUSA-N 425.577 2.430 0 1 IEAF NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc([C@H](O)CO)s1 1857570189 MHTLFAPXOJXGHR-UONOGXRCSA-N 441.435 2.008 0 1 IEAF CC(C)C(=O)N1C[C@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 2356709978 DSJMQILHRHSFEN-KRWDZBQOSA-N 427.467 2.339 0 1 IEAF CN1C[C@@H](NC(=O)CCC(=O)O)C[C@H]1c1nc(-c2ccc(OC(F)(F)F)cc2)no1 12529788 NMDUGHMEYHUCCW-AAEUAGOBSA-N 428.367 2.361 0 1 IEAF biogenic COc1cc([C@H]2O[C@H](c3cc(OC)c(O)c(OC)c3)[C@@H](CO)[C@@H]2CO)cc(OC)c1O 13891773 WKDDUPJDCWIWAP-HCIHMXRSSA-N 436.457 2.162 0 1 IEAF biogenic,in-vitro OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O 28571478 KOBLLUJNYLNPMB-XDXGNBCUSA-N 449.503 2.285 0 1 IEAF CC(C)[C@@H](NC(=O)c1coc(-c2ccc3c(c2)OCO3)n1)C(=O)NCCCN1CCCC1 82082283 JVSYMMIEMFGYGL-HXUWFJFHSA-N 442.516 2.427 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C 95861381 RIHRPLOFFJCHJI-IEGUWTFLSA-N 439.556 2.236 0 1 IEAF CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95891576 GZEDAVZGEAHBCV-ILZDJORESA-N 444.532 2.125 0 1 IEAF CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(N)=O 299845050 HDAAHSBIRUHTPW-CWFSZBLJSA-N 427.501 2.246 0 1 IEAF NS(=O)(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586946018 PWNUOEVNYZYMSS-UHFFFAOYSA-N 438.512 2.010 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCOCC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O 587448693 LRNDFXLMSFSXIC-JTSKRJEESA-N 429.494 2.424 0 1 IEAF CCOc1ccc(-c2nn(C(=O)Cn3cnc(N)n3)c(=O)c3ccccc23)cc1OCC 587669752 ODROQLVXEGVURM-UHFFFAOYSA-N 434.456 2.375 0 1 IEAF COc1ccc(N2C(=O)[C@H]3ON4[C@H](C(=O)N(C)[C@@]45C[C@H](C)CC[C@H]5C(C)C)[C@H]3C2=O)cc1 1772626938 UWXMSPOCWWKTLF-BIHLFORDSA-N 441.528 2.430 0 1 IEAF CS(=O)(=O)c1ccc2sc(Cn3nc(CC(=O)O)c4ccccc4c3=O)nc2c1 13860752 WBRSNTPRBXONMJ-UHFFFAOYSA-N 429.479 2.085 0 1 IEAF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 40663228 HYRKAAMZBDSJFJ-GUEIPCJCSA-N 434.504 2.322 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccccc2)C1)C1CCCCC1 82152375 BLJRIUMEKILZNZ-VJBMBRPKSA-N 428.621 2.483 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C 95689724 OTZAREIZRHIYQA-VFCRVFHLSA-N 431.533 2.388 0 1 IEAF CNC(=O)[C@@H](NC(=O)c1ccc(Br)c(OC[C@H]2CCCO2)n1)C(C)(C)C 207734900 HXRPRKYDBDQLFE-BXUZGUMPSA-N 428.327 2.292 0 1 IEAF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3c(O)nc(N)nc3[nH]2)CC1 587092011 QINXOMXCSUBIKO-UHFFFAOYSA-N 432.403 2.446 0 1 IEAF CCOc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(Cl)cc1OCC(N)=O 963522599 FPXBYWKRNHHRKY-XOBRGWDASA-N 434.876 2.305 0 1 IEAF Cc1ncc(F)cc1NC(=O)C[C@@H](C)C(=O)N[C@@H]1C(=O)N2CCCN2Cc2ccccc21 1772637394 RMAOZJWPQJSLBK-SZNDQCEHSA-N 439.491 2.314 0 1 IEAF O=S(=O)(NC[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O)c1ccccc1 2356774471 YRFFQZOKRHBDIY-DWLFOUALSA-N 444.509 2.477 0 1 IEAF C[C@@H]1Cn2cnc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)c2C(=O)N1 61921873 AKUXJAAHHLLBKJ-DYVFJYSZSA-N 437.500 2.179 0 3 IEAF C[C@H]1C[C@@]2(C)CC(=O)[C@@H]1[C@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@@H]12 40915112 JXBYZKQDZBIQDJ-DBWBHBQZSA-N 439.556 2.367 0 1 IEAF COc1cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc(OC)c1OC(=O)N[C@@H](C)C(=O)O 66128773 LEHOJNVBGFBUFI-VIFPVBQESA-N 445.380 2.450 0 1 IEAF CNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)cc(C(C)(C)S(C)(=O)=O)n2)cc1 88244401 SOUXVVSBNVPUSB-AWEZNQCLSA-N 447.561 2.400 0 1 IEAF C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 95600338 OLYMEMHCGHYHMA-DEPRQGDXSA-N 430.508 2.039 0 1 IEAF O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2 95880593 QVVMVNURGFCPIW-SDZTWWDVSA-N 441.531 2.050 0 1 IEAF NS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccnc3)cc2)c1 142274992 GIOQWATUMTXEBE-IZZDOVSWSA-N 443.506 2.214 0 1 IEAF O=C(c1ccc2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2)N1CC(C(=O)N2CC[C@H](O)C2)C1 144806692 YTXXGMPZAVDWEG-NYHFZMIOSA-N 446.425 2.130 0 1 IEAF CC(C)(C)N(CCNC[C@@H](O)COc1cccc2c1C[C@H](O)[C@H](O)C2)Cc1ccccc1 169319491 QWJRBHDAYAKKSG-JRFVFWCSSA-N 442.600 2.137 0 1 IEAF COc1c(CO)c2c(c(CO)c1OC)CN1CCc3cc4c(c(OC)c3[C@@H]1C2)OCO4 238782883 LEBRYAVYMBTAIK-KRWDZBQOSA-N 429.469 2.081 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCOC1 261189345 YNWOVSGFFVVSBU-VAMGGRTRSA-N 428.577 2.240 0 1 IEAF COC(=O)CCN1C=C[C@]2(N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c2cc(OC)ccc21 963468916 JAMGLKVNYZHGIX-UUOWRZLLSA-N 438.480 2.449 0 1 IEAF NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(F)c1 1857604869 CUBRWWQVJDKJDA-UHFFFAOYSA-N 428.873 2.416 0 1 IEAF CN=c1[nH]c2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@H]2CC(=O)NCc1ccco1 2356489405 WOIDQABMBXHAPL-WOIVNALZSA-N 433.574 2.322 0 1 IEAF Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)N3CCCCC3)ccc21 6577412 YHGGIBQJBYMYPG-SFHVURJKSA-N 443.525 2.034 0 3 IEAF aggregator CNCC(=O)N1CCN2C(=O)c3cc(-c4cccc(C(F)(F)F)c4)ccc3NC(=O)[C@@H]2C1 25207012 VVVMNFAFFVAAEK-SFHVURJKSA-N 446.429 2.197 0 1 IEAF biogenic CC(C)(C)S(=O)(=O)CCCN1CCN(CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 95588948 NCYAZFIYFUZTPF-UHFFFAOYSA-N 439.666 2.292 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@H](C)N(C(C)=O)C[C@@H]1C 95679663 WOSANDNCOYBBEC-VFCRVFHLSA-N 431.533 2.388 0 1 IEAF CN1[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)Nc1nccs1 95881840 CVDFBNGMHHTSQY-GDAAHCPNSA-N 440.500 2.343 0 1 IEAF COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 95892215 VTLFRCJBSOXUAU-QBIMZIAESA-N 445.497 2.339 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2cc([C@H](CN)Cc3ccccc3)ccc2F)c1 114261199 QQSQJTIMNPKWSG-SFHVURJKSA-N 432.521 2.202 0 1 IEAF Cn1nnc(-c2c(F)cc(Cl)cc2-c2cnc3c(c2)CC[C@H]3NC(=O)C2(N)CC2)n1 142249205 MDKZHOJYEIZDMH-OAHLLOKOSA-N 427.871 2.326 0 1 IEAF NC(=O)CCC1CCN(c2cccc(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)n2)CC1 168989702 ROHLMJDNOQMLQP-CUAKFFPHSA-N 426.561 2.233 0 1 IEAF CC1=CC(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)=C[C@H]2C(C)=NN[C@H]12 261137311 MIYUGXOUAPBAGJ-RBUKOAKNSA-N 436.560 2.135 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC[C@](C)(O)C4)c3F)C2)cc1 261138905 MSWOXBZMRWHRBE-YWBKXGLFSA-N 443.523 2.432 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cc2ccn(-c3ccc(F)cn3)n2)c1 1772639797 CWBJXWWFPDALKJ-OAQYLSRUSA-N 433.447 2.337 0 1 IEAF O=C(N1CCN(c2ncnc3n[nH]c(Cl)c23)CC1)C1(c2ccc(F)cc2)CCNCC1 1857763989 RNAZXNCUGVOVBE-UHFFFAOYSA-N 443.914 2.115 0 1 IEAF COC(=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@@]2(COC(C)=O)OC(C)=O)C1(C)C 2356615192 YGOZDGLVNDTREI-YRFUIESQSA-N 438.473 2.126 0 1 IEAF CCOC(=O)C[C@@H]1CCN(C(=O)c2ccc(OC)cc2)C[C@H]1CCN1CCC[C@H]1C(N)=O 2356835340 KRAJGOXUARFQJA-ZVDOUQERSA-N 445.560 2.067 0 1 IEAF COc1ccc([C@H]2ON=C(c3ccccc3)[C@@H]2C(=O)NCCN2CCOCC2)c(OC)c1 772822 YYVFBWBRODDGOQ-JTHBVZDNSA-N 439.512 2.244 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@@H]1N 27413266 HMKMQVYWJCUWJS-HRJSJKBJSA-N 443.475 2.136 0 1 IEAF Cc1cc([C@H](C)Nc2ccccc2-c2nnn[nH]2)c2nc(N3CCOCC3)cc(=O)n2c1 38839889 VOKGKARHNCQWAZ-HNNXBMFYSA-N 432.488 2.193 0 1 IEAF Cc1ccccc1-c1nc(C(=O)N[C@@H](C(=O)NCCCN2CCN(C)CC2)C(C)C)co1 82070169 NJTIJUIUNLPMFD-OAQYLSRUSA-N 441.576 2.158 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886257 AMOSMMFFMRAXPR-HCXYKTFWSA-N 439.940 2.398 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886507 USTKRYYMXKIIKC-HAGHYFMRSA-N 435.496 2.026 0 1 IEAF Cn1c(N2CCO[C@H](c3ccccc3OCCCN)C2)nc(-c2ccncc2F)cc1=O 113091822 AHHQKPHPPVLNOZ-NRFANRHFSA-N 439.491 2.287 0 1 IEAF COc1ccc(Cc2nc3cc(C(=O)O)c(F)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957360 ZUHSIRSBQSHITA-UHFFFAOYSA-N 449.460 2.021 0 1 IEAF CN(C)C(=O)c1ccc2c(c1)[C@@](CS(C)(=O)=O)(c1ccc(C(F)(F)F)nc1)NCC2 962923762 JUHNYFHPKXHLSV-LJQANCHMSA-N 441.475 2.236 0 1 IEAF O=C(Cn1cccc(NCc2ccccc2)c1=O)NCc1cn(Cc2ccccc2)nn1 1772653891 GYUSWOWMRCLOAA-UHFFFAOYSA-N 428.496 2.417 0 1 IEAF O=S(=O)(Nc1ccc(-c2cn(-c3ccc(F)cc3)nn2)cc1)c1cnc(O)nc1O 1857535528 HKBAXNAGQUFUAX-UHFFFAOYSA-N 428.405 2.075 0 1 IEAF O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1 4239186 GUGBJTLXECIRGE-MRXNPFEDSA-N 429.427 2.147 0 1 IEAF NC(=O)c1ccc(S(=O)(=NS(=O)(=O)c2ccccc2)c2ccc(C(N)=O)cc2)cc1 5846650 IGHXXGQHMGYMAY-UHFFFAOYSA-N 443.506 2.159 0 1 IEAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)[C@H](O)[C@@H]3COC(=O)[C@H]32)cc(OC)c1OC 14589759 URHSJDDWHFGDKK-WTMJQUOKSA-N 444.436 2.418 0 1 IEAF biogenic C=C(Cl)C(=O)N[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 28763562 WCOOYUULXHMRKM-YIQKULIMSA-N 430.932 2.194 0 1 IEAF Cc1ccc(C(=O)N2CCN(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 40763468 YSXVMPQKAZHVJY-HSZRJFAPSA-N 441.482 2.211 0 1 IEAF O=C(NCc1cccc(F)c1)c1nc(N2CCCCS2(=O)=O)c2cccnc2c1O 73138574 UJZGPIDHHPUZMC-UHFFFAOYSA-N 430.461 2.335 0 1 IEAF O=C(N[C@H]1CC[C@@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 95571529 JEWVOUSHTDFCPR-CUWPLCDZSA-N 425.464 2.208 0 1 IEAF CCCC(=O)N1CC2(CCN(S(C)(=O)=O)CC2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95865141 BSZWGDGJKKQCNA-SFHVURJKSA-N 449.573 2.145 0 1 IEAF CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2ccc(C(F)(F)F)cc2)O1 95887782 OUTWOBHUWTVFCP-ZSYWTGECSA-N 430.467 2.293 0 1 IEAF Cn1c(Cl)c([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c2cc(C=O)ccc21 963219842 UPGRPFUWGIUMDH-TXPKVOOTSA-N 437.887 2.215 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(c2ncccn2)CC1)Nc1ccsc1 2356841948 MJNNJEWPZDIOQN-HBFSDRIKSA-N 441.605 2.192 0 1 IEAF CCCCN1CCS(=O)(=O)N(Cc2ccccc2Br)C[C@H](C(=O)OC)C1 61944754 ZPJOBNRYVTUMFL-MRXNPFEDSA-N 447.395 2.486 0 3 IEAF C[C@@H](N)C(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 15970822 XBCIAIFMNHPXTN-IERDGZPVSA-N 440.519 2.078 0 1 IEAF biogenic Nc1ncnc2c1ncn2C[C@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22937645 IOJQHUZPSPYORM-OAQYLSRUSA-N 443.555 2.177 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@H](Cc2ccc(C(=N)N)cc2)C(=O)N2CCCCC2)cc1 26487843 PMAVBGMUJOOBHN-HXUWFJFHSA-N 428.558 2.181 0 1 IEAF O=C(O)C[C@H](NS(=O)(=O)Cc1ccc2ccccc2c1)C(=O)NCCc1ccccc1 29313900 JNWCOVVUDFYKHH-NRFANRHFSA-N 440.521 2.461 0 1 IEAF COc1cc2nc(N(C)CCN(C)C(=O)c3ccoc3)nc(NC[C@@H](C)O)c2cc1OC 82118134 WWUIDCYJDUHJSB-CQSZACIVSA-N 443.504 2.241 0 1 IEAF CCCCO[C@H]1C[C@H](C(=O)NC[C@@H](C)O)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82219328 UZHUMYVNAXQYRV-JKIFEVAISA-N 442.940 2.254 0 1 IEAF N=C(NC(=N)N1CCN(C(=N)NC(=N)Nc2ccc(F)cc2)CC1)Nc1ccc(F)cc1 95696747 JSVRPFBEQBIJIL-UHFFFAOYSA-N 442.478 2.025 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CC1 95880327 VORDGSSVVIKNHN-KXNNKYTPSA-N 447.535 2.055 0 1 IEAF CCN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NCc1ccccc1 95880968 YQTVBOHVMILDGY-IQFVJIFQSA-N 444.535 2.210 0 1 IEAF O=C(Cc1cccnc1)N[C@@H]1CC[C@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95905710 MJPBAXXGMLUHIX-NQSCKRDGSA-N 439.491 2.137 0 1 IEAF COc1cc2c(c(OC)c1)[C@H]1[C@H]3CCC[C@H](C(=O)N1CC2)N3C(=O)C(=O)c1ccncc1 100061621 FKCKHHUOKPWTNI-DBXWQHBBSA-N 435.480 2.171 0 1 IEAF Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2[C@@H](O)C(F)F)n1 207185538 FTFOWEVQLMMZLL-SFHVURJKSA-N 440.458 2.463 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587220241 QZELKPJMKCBDOL-BDAKNGLRSA-N 436.774 2.059 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(Sc3ccccc3)cc2[nH]1)C(=O)O 587222067 GKYLWVPIDVDZIS-GDBMZVCRSA-N 442.497 2.018 0 1 IEAF CC(C)CS(=O)(=O)n1ccc2c(-c3ccc(O)nc3)cc(N3CCN(C)CC3)nc21 653841657 NPCMXOAZPFEQFC-UHFFFAOYSA-N 429.546 2.390 0 1 IEAF COC(=O)C(=O)C[C@@]1(C)c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962626296 JFVKZQDCGJQOEF-AOMKIAJQSA-N 433.457 2.483 0 1 IEAF Cc1ccc(N2C(=S)N[C@@H]3[C@H](O)[C@H](O)C[C@@H](C(=O)Nc4ccccc4)[C@H]32)cc1Cl 2356811496 BPCFYMCEEDXPRO-IQZDNPOKSA-N 431.945 2.461 0 1 IEAF COc1ccc([C@H]2[C@H](C(=O)N3CCN(C=O)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 201458043 TXZRAMQSSDCJBV-GGAORHGYSA-N 437.496 2.099 0 3 IEAF CCOc1ccc([C@@H]2ON=C(c3ccc(N(C)C)cc3)[C@@H]2C(=O)NCCOCCO)cc1 4039635 BXZDTCACGZGXAW-GMAHTHKFSA-N 441.528 2.368 0 1 IEAF Nc1c(F)c(N2C[C@H]3C[C@@H]4C[C@@H]4[C@@H](N)[C@H]3C2)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F 28392593 GVOQBJKQFMZHNR-ZYDQHENWSA-N 448.445 2.263 0 1 IEAF CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C\[C@H]1C 137295968 KBHPPKYRDDJVFM-RCLMSXHMSA-N 426.506 2.461 0 1 IEAF Nc1cnc(-c2ccc(C3CCC3)c(OC[C@@H](O)CNc3cc(N)ncn3)c2F)cn1 224565370 XAFBTUYMRMXGRP-ZDUSSCGKSA-N 425.468 2.356 0 1 IEAF Oc1nc(=Cc2ccccn2)c(O)nc1=Cc1ccc(OCCCc2cccnc2)cc1 253632746 BJERXUSOIKLRIV-UHFFFAOYSA-N 426.476 2.347 0 1 IEAF O=S(=O)(c1ccc2nc(O)cc(-c3nc4ccc(O)cc4[nH]3)c2c1)N1CCOCC1 586957679 DDGVDXWBBIJBIB-UHFFFAOYSA-N 426.454 2.210 0 1 IEAF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2c(I)cnc(Cl)c2[nH]1 587202660 FLERGIXKQZRYBN-QMMMGPOBSA-N 449.680 2.295 0 1 IEAF COC(=O)[C@H]1C[C@]2(CN1S(=O)(=O)c1cccs1)NCCc1cccc(Cl)c12 963391105 QBZGXUXCEDPXJE-RDTXWAMCSA-N 426.947 2.379 0 1 IEAF COc1ccc(Nc2ncc3ncc(=O)n(-c4ccc(NS(C)(=O)=O)cc4)c3n2)cc1 1857585774 KWDQLDUYXZJFHG-UHFFFAOYSA-N 438.469 2.299 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@@H]6CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@]2(C)[C@H](O)C1 2356725297 CWGULWSLLTUZPK-GOICJKKESA-N 446.540 2.002 0 1 IEAF O=S(=O)(N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@H](O)[C@H]1O)c1ccc(Cl)cc1 2356773508 BCWCSISZDLWUIW-WMHQRMGPSA-N 436.839 2.310 0 1 IEAF COc1ccccc1OC[C@H](O)CN1CCC(NC(=O)NC(=O)c2ccccc2)CC1 27983697 ZUORURGDMCWMNG-LJQANCHMSA-N 427.501 2.039 0 1 IEAF CC(C)C[C@@H](O[P@](=O)(O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 29340949 MHNXJGAJYWTHAD-DZGCQCFKSA-N 430.394 2.076 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888690 NPBHNGVMTQKIGK-VDZJLULYSA-N 432.521 2.125 0 1 IEAF CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@@H](C)C(=O)N4)CC2)cc1 96274144 QDUAZTRDSVEUIJ-INIZCTEOSA-N 438.528 2.487 0 1 IEAF COc1ccc([C@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23SC(=O)NC3=O)cc1OC 96888395 RSRLDMJECYYROC-YKAGIRRDSA-N 439.493 2.302 0 1 IEAF CON(C)C(=O)[C@@H]1C[C@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1 169694747 SZEWRLXOHSKGEK-AEFFLSMTSA-N 432.484 2.464 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c1O[C@@H]1[C@H](O)[C@@H](O)CC[C@]21O 2356635427 ZBVSQEYSJDLSLO-XMZJBMFQSA-N 429.513 2.309 0 1 IEAF CCC(=O)N1CC2(CN(C(=O)NC(C)C)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO 95864632 BDKSCZZKLANYDK-GOSISDBHSA-N 428.533 2.144 0 3 IEAF O=C1N[C@@H]2c3c(I)sc(I)c3[C@@H](O)[C@@H]2O1 5847593 SZYJBEJSJAOHDJ-UOWFLXDJSA-N 449.007 2.154 0 1 IEAF Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3C4)cc2)n1 6102086 HVEIJRPFCHFENC-RMHZUWNSSA-N 428.470 2.047 0 1 IEAF CC1=C[C@@H](/C=C(\C)CC[C@H](O)[C@H](O)/C=C/C(=O)O)[C@@]2(O)C(=O)N[C@@H](CC(C)C)[C@@H]2[C@H]1C 36378588 KFLCEMCIDTVRAF-BIGDSIQRSA-N 435.561 2.180 0 1 IEAF COC(=O)N1CCC(n2ncc3c(N4CCOCC4)nc(-c4ccc(N)cc4)nc32)CC1 49783650 OFIHBQUKIUHAHV-UHFFFAOYSA-N 437.504 2.315 0 1 IEAF COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c([nH]c3cc(OC)ccc23)[C@@H]1CO 95864943 VOGWNLNBNYBZJH-NRFANRHFSA-N 435.524 2.452 0 1 IEAF O=C1NC(=O)C(CNc2nnc(CN3c4ccccc4Sc4ccccc43)o2)C(=O)N1 102899627 SRKQLVJKJOITGM-UHFFFAOYSA-N 436.453 2.267 0 1 IEAF COc1ncc(S(=O)(=O)Nc2c[nH]c(C(F)(F)F)cc2=O)cc1Br 222907560 IFZWGNNHPNPTML-UHFFFAOYSA-N 428.186 2.361 0 1 IEAF Cc1cc(S(N)(=O)=O)ccc1OCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586930095 LNZQJZRTSFGZSK-UHFFFAOYSA-N 449.432 2.391 0 1 IEAF O=C(CCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1)Nc1cccc(F)c1 587161752 CJFHXVHSDWSXAX-UHFFFAOYSA-N 432.477 2.294 0 1 IEAF O=C(O)c1nn(Cc2nc3ccc(Br)nc3[nH]2)cc1I 587184829 GDEGDDBWFRACBO-UHFFFAOYSA-N 448.018 2.268 0 1 IEAF COC(=O)Cc1c(C(=O)OC)c(OC)n(-c2c(N)cccc2Br)c1OC 587937089 NXZWPKBWGVIRON-UHFFFAOYSA-N 427.251 2.341 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@H]1[C@H]1C[C@@H]1C 962043477 KKUPEHMONCGOPA-HFZOINSGSA-N 435.524 2.075 0 1 IEAF C[C@@]1(c2ccc(F)cc2)NC(=O)N(C[C@@H](O)CN2CCC(Oc3ccccc3)CC2)C1=O 1857770667 SCKJNCWNAQMULA-CYFREDJKSA-N 441.503 2.497 0 1 IEAF NC(=O)[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1 1857771935 MTMGRLAFCCHMSS-FCHUYYIVSA-N 441.491 2.122 0 1 IEAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@H](COC(=O)C(=CC)COC(=O)CC(C)(C)O)[C@@H]12 2356729442 IFOJBJYZVQYKHB-GGPKGHCWSA-N 437.533 2.152 0 1 IEAF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(=O)C(C)(C)O)[C@H](OC(=O)C(C)C)[C@H]12 1562708 UJBPJKIMHZUROX-AKHDSKFASA-N 434.485 2.200 0 1 IEAF biogenic COc1ccc(CNC(=O)c2cc3c(=O)n(Cc4ccc(C(=O)O)cc4)cnc3cn2)cc1 13980195 YOFJHCFIKFPSLE-UHFFFAOYSA-N 444.447 2.477 0 1 IEAF C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(OCc3ccccc3F)c12 169725264 KPVWMZXWOZTOAD-RVNLWLJESA-N 447.495 2.290 0 1 IEAF C=c1nns/c1=c1\[nH][nH]c(=O)\c1=C/c1cn(C)c2cccc(OCc3ccc(F)cc3)c12 169725268 ZEWGYEBLQNXUAM-DZHOKGPDSA-N 447.495 2.290 0 1 IEAF COc1cccc(CNc2cc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1OC 205048382 ZCOBLRVVWXSNHT-NVNXTCNLSA-N 449.471 2.113 0 1 IEAF CN(c1ncnc2[nH]ccc12)[C@H]1CC[C@H](CS(=O)(=O)N2CCC[C@H](C(=O)O)C2)CC1 261192352 ZPLKIQQTGHLXLQ-JYJNAYRXSA-N 435.550 2.079 0 1 IEAF CCN(CC)c1ccc(-c2nn(C(=O)CS(C)(=O)=O)c(=O)c3ccccc23)c(O)c1 587668080 YVIMXAWUEGRCRG-UHFFFAOYSA-N 429.498 2.300 0 1 IEAF CN(C)C(=O)c1ccc2c(c1)[C@@H]([C@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962928784 SVQIMLICTVFCSC-GHTZIAJQSA-N 444.576 2.339 0 1 IEAF COC(=O)[C@]1(C)[C@H](O)CC[C@]2(C)[C@@H]3CCC(=CC(=O)NCCN(C)C)[C@H](C)[C@H]3C(=O)C[C@@H]12 2356500418 TZEBUKDWHLEPOL-MWLGOIFUSA-N 448.604 2.182 0 1 IEAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](OC(=O)Nc4ccccc4)CO[C@H]32)cc1 2356834304 KARBFEKLRGWTRF-FUMNGEBKSA-N 436.472 2.362 0 1 IEAF NCCC[C@@H](N)[C@@H](O)CN[C@H](CCc1ccccc1)C(=O)Nc1cnc2ccccc2c1 13587027 OWDXRKBOLKWJAT-JRFVFWCSSA-N 435.572 2.191 0 1 IEAF O=C1Nc2ccccc2C(=O)n2cc(c3ccccc32)C[C@@H]([N+](=O)[O-])C(=O)N2CCC[C@@H]12 14682439 YQOXDTHSLKEXLH-VQTJNVASSA-N 432.436 2.461 0 1 IEAF biogenic O=C(O)[C@@H]1CCCN1C(=O)[C@@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 15958892 QUVCPGXJUQZCAW-VQTJNVASSA-N 446.463 2.031 0 1 IEAF biogenic N=C(N)c1ccc(O)c(OCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1 26383488 NUHWZGMWIJFXIT-UHFFFAOYSA-N 440.481 2.008 0 1 IEAF Cc1ccc(CN(c2nnc(S(N)(=O)=O)s2)S(=O)(=O)c2ccc(C)cc2)cc1 71280612 RKNIWRHBCQMGCM-UHFFFAOYSA-N 438.556 2.198 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(Cc2cncnc2)CC1 95662561 HEBFGOCURPOVPS-JOCHJYFZSA-N 449.555 2.406 0 1 IEAF COc1ccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@H](CO)O2)cc1 95675542 DVYXTDYPIFUIBC-NJYVYQBISA-N 430.476 2.179 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886512 USTKRYYMXKIIKC-LWYYNNOASA-N 435.496 2.026 0 1 IEAF CCN1CCN(C(=O)Cc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2)CC1 115624238 NGJZRTJVMJQAAN-UHFFFAOYSA-N 446.555 2.276 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(C(C)(F)F)cc32)[C@@H](CN2CCCC2=O)CN1 219025409 ZWMYITSLGKMQCO-NVXWUHKLSA-N 449.546 2.102 0 1 IEAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](c1csc(-c3ccccc3)n1)N2CCOC 618012876 BAEMPQFYEFBVMC-BZSNNMDCSA-N 429.546 2.407 0 1 IEAF NS(=O)(=O)Oc1ccc(NC(=O)N2CCN(Cc3cc4ccccc4o3)CC2)cc1 1857564230 WBJBLYZJVUELNX-UHFFFAOYSA-N 430.486 2.365 0 1 IEAF Cn1c(=O)n(CCC(C)(C)O)c2cc(N=c3[nH]c(-n4cccn4)ncc3Cl)ccc21 1857591495 RXLWKUXCLVOOHE-UHFFFAOYSA-N 427.896 2.296 0 1 IEAF Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 61896077 JUWKUCJAXMEQHP-GOSISDBHSA-N 443.428 2.003 0 3 IEAF O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCC3)ccc21)NCc1ccc(F)cc1 8604802 PHQPNGNEMITABM-UHFFFAOYSA-N 447.488 2.225 0 1 IEAF O=C1[C@@H]2CCCCN2C(=O)CN1CCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 13861484 MUPQKMRAHPIVMP-IBGZPJMESA-N 438.494 2.441 0 1 IEAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@H]1O)O2 27215502 WPHHUDOBVBINRM-GASWSPIPSA-N 448.560 2.156 0 1 IEAF COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(F)cc1 40429847 NVEIBIBNNZZXLH-INIZCTEOSA-N 432.473 2.355 0 1 IEAF CCOCCN(CCOCC)C(=O)c1cnc(N2CCOCC2)nc1-c1ccccc1 82133005 HSECSWWESXWZGJ-UHFFFAOYSA-N 428.533 2.495 0 1 IEAF CCOC(=O)CN1CCN(c2ncc(C)c(N[C@H](COC)Cc3ccccc3)n2)CC1 82212966 OWQXPFTXLBHVSN-FQEVSTJZSA-N 427.549 2.140 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)c3cnccn3)cc2OC[C@@H](C)N(C)C[C@H]1C 95690609 WHHUAOMDORXOMQ-ZOCZFRKYSA-N 441.532 2.165 0 1 IEAF Cc1nc([C@@](C)(CS(C)(=O)=O)NC(=O)c2cc(O[C@H](C)CF)c(C3CC3)cn2)no1 146295221 JPBYGKVFMVFROO-NSPYISDASA-N 440.497 2.077 0 1 IEAF Cc1cc(C)cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)OCC(=O)NCc3ccco3)[C@H]4C2=O)c1 245227663 RUHWNESPTVCFNF-ZGDJDIHISA-N 436.464 2.042 0 3 IEAF CCOCCCNC(=O)[C@H](C)N1C(=O)N2CCc3c([nH]c4ccc(OC)cc34)[C@]2(C)C1=O 2123403 MKWJCDNGDWHGAJ-LFVRLGFBSA-N 442.516 2.143 0 1 IEAF biogenic COCCCOc1ccc(-c2nccc(-c3cc4c([nH]3)[C@]3(CCCNC3)CNC4=O)n2)cn1 71334049 WEUREPGHRFDCFG-DEOSSOPVSA-N 448.527 2.314 0 1 IEAF COc1ccc(OC)c(-c2csc(N3C[C@@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 82194913 FKSDTHLTEDJZDK-YEWWUXTCSA-N 433.530 2.062 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cc4cn[nH]c4cc3[nH]2)cc1 586939687 CVKOYQYWZXGJKQ-IBGZPJMESA-N 438.513 2.390 0 1 IEAF CCn1cc(-c2cc(C(F)F)n3nc(CCc4nc5c(O)ncnc5[nH]4)nc3n2)cn1 587130345 KXHFDTKDPPITDY-UHFFFAOYSA-N 426.391 2.102 0 1 IEAF Oc1nc(O)c(I)c(-c2nc3cc(-n4cccn4)c(F)cc3[nH]2)n1 587182714 RGHYWVHVRSWHNT-UHFFFAOYSA-N 438.160 2.361 0 1 IEAF Cc1cc(N2C[C@@H](c3nnc(S)n3-c3ccccc3)CC2=O)cc(C)c1S(N)(=O)=O 1857602890 UBNGBOPIZHLQTJ-AWEZNQCLSA-N 443.554 2.341 0 1 IEAF COc1cc(O)c(C(N)=O)c2oc(C(=O)NC3CCN(Cc4ccncc4)CC3)c(C)c12 1857650821 MCWWGWZUFIHSCQ-UHFFFAOYSA-N 438.484 2.344 0 1 IEAF CCCCO[C@H]1C[C@@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 82199471 YZDKAEPYTBBWCZ-HKUYNNGSSA-N 442.516 2.210 0 1 IEAF O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 84757366 ZBQTYWZUWNJULN-NRFANRHFSA-N 433.508 2.244 0 1 IEAF CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889103 IJEGDLNEQMJCTO-XKGZKEIXSA-N 444.532 2.267 0 1 IEAF FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2C[C@@H]3CC[C@@H](C2)O3)n1 101336392 VTWMWRJHQXVFGY-KBPBESRZSA-N 443.458 2.352 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C[C@@H](N)C(=O)O)(c2cccc(O)c2N)N1 587750961 VNQSUJUEIYZKIC-HZCCJMTMSA-N 438.297 2.456 0 1 IEAF COC(=O)c1ccc2c(c1)NC(=O)[C@@]21N[C@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962637111 QLMRTSISPRUCDK-KXBFYZLASA-N 436.342 2.166 0 1 IEAF CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCOCC3)cc2[S@]1=O 1857563503 FVGUNTUWWCOKJG-SSEXGKCCSA-N 425.514 2.261 0 1 IEAF CNC(=O)c1ccc(O[C@@H](C)C(=O)N2CCN(C(=O)c3ccccc3)C[C@H]2C)c(OC)c1 13980016 OQRSXFNMNAQFEB-SJORKVTESA-N 439.512 2.195 0 1 IEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CC[C@]4(C(=O)N(C(C)=O)c5cc(OC)ccc54)[C@@H]3C[C@H]12 14917659 RXBVTENBYJBPEM-XQQZJKCNSA-N 440.496 2.012 0 1 IEAF biogenic CN(Cc1nc2ccccc2n1C)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2 26946108 BPWSYPSAGVVVNV-SFHVURJKSA-N 435.484 2.073 0 1 IEAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@@H]3[C@@H](NCCCc4ccccc4)CO[C@@H]32)cc1 36365770 VZCZFSJCMJYWTI-WBADGQHESA-N 434.544 2.336 0 1 IEAF biogenic CC(=O)c1ccc(N2CCN(C(=O)c3cc(N)ccc3N3CCOCC3)CC2)c(F)c1 40973548 MJMSKGOJHIEYSL-UHFFFAOYSA-N 426.492 2.410 0 1 IEAF CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C 82165828 XQENOKHKGMFWFY-RXVVDRJESA-N 444.576 2.175 0 1 IEAF CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]1[C@@H](C(=O)NCc1ccccc1)[C@@H]2CO 95880926 YHFMFEXYBLNZIZ-AZOUXBGGSA-N 447.535 2.242 0 1 IEAF O=C1CN(S(=O)(=O)CCc2ccc(Cl)s2)CCN1Cc1cc2c[nH]ccc-2n1 100935032 FDADJCIHSMKTAA-UHFFFAOYSA-N 438.962 2.446 0 1 IEAF Cc1c(F)c(N2C[C@@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 102215691 WTPPNSARDCVKJY-NWDGAFQWSA-N 430.386 2.360 0 1 IEAF Cc1nc([C@](C)(NC(=O)c2cnc(N3CC(F)(F)C3)c(OCC3CC3)n2)C2CC2)no1 207392878 HWKKDEJOGXDYCL-LJQANCHMSA-N 434.447 2.467 0 1 IEAF CC1=CC(=O)O[C@H]1CC[C@@]1(C)O[C@]2(C[C@@H](C)CO2)[C@@]2(O)[C@H](C)[C@H]3[C@@H](O)C[C@H](C)[C@H]3C(=O)[C@@H]12 255219737 ILGCHFGLRVXFPQ-ADRZAECMSA-N 448.556 2.379 0 1 IEAF Cc1ccc(S(=O)(=O)N2CCC(c3nc4cccc(S(N)(=O)=O)c4[nH]3)CC2)cc1 586955058 SMKFSJFOSCKNJT-UHFFFAOYSA-N 434.543 2.087 0 1 IEAF Cn1nc(-c2nc3cc(C(=O)O)c(F)cc3[nH]2)c(I)c1C(=O)O 587180471 RGPCAVNMXBDIMH-UHFFFAOYSA-N 430.133 2.104 0 1 IEAF Cc1c(O)ccc2c1[C@H]([C@@H](CNC(=O)OC(C)(C)C)Cc1cnn(C)c1)N[C@H](C(=O)O)C2 963469894 LJTLHFXAPFQPKM-UWVAXJGDSA-N 444.532 2.458 0 1 IEAF CC(=O)N[C@@H]1[C@H](O[C@]2(C)C=C[C@H]([C@H](C)CCC=C(C)C)CC2)O[C@H](CO)[C@H](O)[C@H]1O 2356326030 SGHQZCXISQZLSS-ZITVTUJRSA-N 425.566 2.054 0 1 IEAF CN(C)c1ccc(NC2=N[C@H]3[C@@H](S2)[C@H](C(=O)Nc2ccccc2)C[C@@H](O)[C@H]3O)cc1 2356872491 YZILCBSWMPPCSX-WAPOTWQKSA-N 426.542 2.385 0 1 IEAF O=S(=O)(NC1CCCCC1)c1ccc2c(c1)OCCOCCOCCOCCO2 5851731 IKTMHIVNKJEVFX-UHFFFAOYSA-N 429.535 2.119 0 1 IEAF O=C(N[C@@H](Cc1ccccc1)C1=NO[C@H](C(=O)N2CCC[C@H]2C(=O)O)C1)c1ccccc1 26672479 VBYRXWKUSXFHQE-JBACZVJFSA-N 435.480 2.248 0 1 IEAF O=C1[C@@H]2CCCCN2C(=O)CN1CCCN1CCN(c2ccccc2C(F)(F)F)CC1 26716319 KPTPMCGXJVLCBD-IBGZPJMESA-N 438.494 2.441 0 1 IEAF O=C(O)c1cn2c3c(cc(N4CCN(C(=O)C(F)(F)F)CC4)cc3c1=O)SCC2 27524879 ZOABSWUTZJXIDT-UHFFFAOYSA-N 427.404 2.016 0 1 IEAF C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 28563209 MYJJEKKTMAKVKT-SWLSCSKDSA-N 443.414 2.300 0 1 IEAF COc1ccc(-c2cc(=O)c3c(O)c([C@H]4C[C@@H](O)[C@H](O)[C@H](C)O4)c(O)cc3o2)cc1O 40873270 VOXHZFGNVVKUEG-NRGAKEJDSA-N 430.409 2.157 0 1 IEAF biogenic,in-vitro O=C(CN1CCOCC1)N1CCCCN2[C@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95874704 YYRMYXBGXGANGU-ZWEKWIFMSA-N 449.595 2.437 0 1 IEAF O=C(NC1Cc2ccccc2C1)[C@H]1N[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]2[C@@H]1CO 95881104 VGCYDADVCAEPMT-HFOXQMJASA-N 445.563 2.341 0 1 IEAF CCNC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95891575 GZEDAVZGEAHBCV-YVWKXTFCSA-N 444.532 2.125 0 1 IEAF O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 95908191 DNUVWNCDCIVCLB-XERREHJYSA-N 444.459 2.013 0 1 IEAF Cc1nn(C)cc1-c1nc2c(N3CCC[C@H](CNS(C)(=O)=O)C3)c(Cl)cnc2[nH]1 103273761 PASPLONSFSXGKA-GFCCVEGCSA-N 437.957 2.086 0 1 IEAF CC(=O)O[C@@H]1C[C@@]23CC(=O)O[C@@H](C[C@H]2C)[C@]3(O)[C@](C)(COC(=O)c2ccccc2)[C@@]1(C)O 141321472 UTWZPWAOYDZTLT-ADCAHEKWSA-N 446.496 2.009 0 1 IEAF C=CC(=O)N1C[C@H](COC)[C@@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)C1 220434902 ZBGGBRQHYYAQQU-CHWSQXEVSA-N 445.911 2.374 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)NCc3nc4[nH]c(=N)[nH]c(Cl)c-4n3)cccc12 586941734 NONSGZJTXDEGEP-UHFFFAOYSA-N 431.909 2.068 0 1 IEAF Cc1c(O)ccc2c1[C@@](c1nnc3c(Cl)nccn13)(C(F)(F)F)N[C@H](C(=O)O)C2 963508708 LRSQLVKFVAYBNP-XXFAHNHDSA-N 427.770 2.197 0 1 IEAF CCN(CC)c1ncnc2c1ncn2[C@H]1CN(Cc2ccc(OC)cc2)C[C@@H](CO)O1 61906213 ZNVOYSHDPYOJBX-RBUKOAKNSA-N 426.521 2.073 0 3 IEAF CC(=O)OC[C@]12C(=O)[C@H](O)[C@H](C)[C@](C)(CCc3ccoc3)[C@@H]1CC[C@@H](OC(C)=O)[C@@]21CO1 14968802 QSVDZKYXMZJQNL-GGFRUUEUSA-N 448.512 2.458 0 1 IEAF biogenic CC(C)(C)NS(=O)(=O)c1ccc(-c2cc3c(N)ncc(C(=O)NCCO)c3s2)cc1 73220882 CXVHVGLFXSFLSB-UHFFFAOYSA-N 448.570 2.344 0 1 IEAF COCCCNC(=O)c1ccc2c(c1)[C@@H](NCCCOC)CC1(CCN(C(C)=O)CC1)O2 82181942 XPQHKEOHVBHMRC-NRFANRHFSA-N 447.576 2.284 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@H](c1ccc(/C=C/c3ccccc3)cc1)[C@@H]2CO 95795203 GBNDAOCBOQNOMP-JBSPCZEYSA-N 440.503 2.458 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(-c4cccc(F)c4)cc3)[C@H]2C1 95795488 RBGWWDWZZPGPAM-XPNTWCBSSA-N 432.455 2.094 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(/C=C/c4ccccc4)c3=O)[C@@H]1N2C(C)=O 95879565 BRPRVVQOKFVDFG-IFWXAQOKSA-N 435.524 2.055 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2CC1CCOCC1 95880936 OBQGCSRJHSBODM-LGKPFJOYSA-N 438.524 2.079 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3Cc4ccccc4C3)N(CC)[C@@H]21 100142478 SKIOLEAINHAYRR-VMOCSCIQSA-N 433.552 2.149 0 1 IEAF COc1cc(/C=C\C(=O)OCC(O)COC(=O)/C=C\c2ccc(O)c(OC)c2)ccc1O 118080713 PATJZXBBUQEFOY-OZDSWYPASA-N 444.436 2.289 0 1 IEAF C=Cc1ccccc1S(=O)(=O)NC[C@H]1C[C@@H]2O[C@H](CO)[C@@H](OCc3ccccc3)[C@@H]2O1 220751075 AKQTWWLWVXWDCR-QGAVKGNSSA-N 445.537 2.111 0 1 IEAF COC(=O)N1c2ccccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@](CO)(C(=O)OC)C5)[C@@H]43 238763281 JBYCCXZYXHKELM-FBHBTBFLSA-N 426.513 2.453 0 1 IEAF COc1cc(C(=O)N2CCC3(CC2)Cc2cn(C(C)(C)C)nc2C(=O)N3)cc2[nH]ncc12 261143943 NNTVOQAABYVUKH-UHFFFAOYSA-N 436.516 2.484 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc(CCN(CCC(=O)O)Cc3ccccc3)[nH]c2c1 587193220 FWTVQBXSVBKDHR-UHFFFAOYSA-N 430.530 2.333 0 1 IEAF CC=C(C)C(=O)O[C@H]1C(C)=C[C@]23C(=O)[C@@H](C=C(CO)[C@@H](O)[C@]12O)[C@H]1[C@@H](C[C@H]3C)C1(C)C 1857578627 VDJHFHXMUKFKET-IYACTCEOSA-N 430.541 2.332 0 1 IEAF Cc1cc(CNC(=O)[C@H]2CCC[C@H](NCc3cccc4c3OCO4)CN(C)C(=O)C2)no1 2356444376 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2.061 0 1 IEAF Cc1ccc(-c2nc(C(=O)N[C@H](COCc3ccccc3)C(=O)N3CCNCC3)co2)cc1 82074429 VLVBLWJICASNTB-JOCHJYFZSA-N 448.523 2.397 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)N(C)C[C@H]1C 95688365 YTFMHZRWJRHUBM-JLHGSKIFSA-N 447.576 2.488 0 1 IEAF CC(=O)OC(OC(C)=O)(OC(C)=O)O[P@](=O)(O)[C@H](O)c1ccc2ccccc2c1 96941832 HMQXNCRPCVSBME-KRWDZBQOSA-N 426.314 2.333 0 1 IEAF O=C(N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 101584932 WOGPRQJEAZLPIH-RRLHRCRRSA-N 428.533 2.278 0 1 IEAF CNC(=O)[C@H](CC(C)(C)C)NC(=O)c1ccc(N2CCC23COC3)c(OCC2CC2)n1 143379344 PWXQOSBCKCYZKJ-KRWDZBQOSA-N 430.549 2.130 0 1 IEAF NC(N)=Nc1nc(-c2ccc(N3CCN(CC(=O)O)CC3)cc2)c2cc(Cl)ccc2n1 166488419 RRPQAZUPIZJAQK-UHFFFAOYSA-N 439.907 2.062 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)NC[C@H](C)O)c1 299874201 AZDQZPZMIFRDND-SCWSEQNSSA-N 448.560 2.381 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 299878029 IFZMBKLJAHITIY-LDQXTDLNSA-N 448.560 2.381 0 1 IEAF Oc1nc(O)c(I)c(-c2nc3cc4c(cc3[nH]2)OCCCO4)n1 587183437 YPFGLSQEWLOUNQ-UHFFFAOYSA-N 426.170 2.197 0 1 IEAF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2c(I)cnc(Cl)c2[nH]1 587202659 FLERGIXKQZRYBN-MRVPVSSYSA-N 449.680 2.295 0 1 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@H](OC(=O)c1ccc(-n3oo3)cc1)C=C1C(=O)OC[C@]12O 2356715779 QZSVUQMGYQDDIX-QFOSDGOKSA-N 431.441 2.222 0 1 IEAF OC[C@@H]1CN(Cc2cccs2)C[C@H](n2cnc3c(NCc4ccco4)ncnc32)O1 61929753 MZMMZJTYQYEWQJ-DOTOQJQBSA-N 426.502 2.485 0 3 IEAF CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)c4c(C)noc4C)CO[C@H]23)cc1 4259159 RQMIUQNIJILPMB-QFHJOOASSA-N 429.429 2.007 0 1 IEAF biogenic C[C@@H]1CN(CCC(=O)N2CCC(C(=O)N3CCOCC3)CC2)Cc2cc(Cl)ccc2O1 12054724 XHUVRQSVWIBJPE-QGZVFWFLSA-N 449.979 2.410 0 1 IEAF Cc1cc(C)nc(O[C@H](C(=O)O)[C@@]2(c3ccccc3)NCC(=O)N(C)c3ccccc32)n1 13561023 FINMPMBYTTVLPJ-QPPBQGQZSA-N 432.480 2.435 0 1 IEAF NS(=O)(=O)c1nnc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)s1 71295695 TZGUSJOKNXOXLK-UHFFFAOYSA-N 444.947 2.234 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)OCCOCCN(C)C)cs1 82070907 VOAJSGDWJGTPAJ-HNNXBMFYSA-N 435.546 2.449 0 1 IEAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(Br)cc3)[C@H]2C1 95866883 KHVUMFIUAWWNMC-DBXWQHBBSA-N 429.314 2.189 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC1CC1 95880615 VATWEJOSBHGAQM-HVJHZFLKSA-N 426.513 2.269 0 1 IEAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888442 GCTHDWJSWMFTNQ-HHXXYDBFSA-N 432.521 2.123 0 1 IEAF Cn1cc(-c2ccc3c(c2)CCn2c-3cc(OC[C@@H]3COc4ncccc4O3)nc2=O)cn1 220173486 MASQJQGPSQJCKU-GOSISDBHSA-N 443.463 2.481 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)N(C)C)o3)nc2c1 586930861 IQCOSHDPFNPJDV-UHFFFAOYSA-N 426.520 2.104 0 1 IEAF COc1cc2c3c(c1)O[C@](C)(c1ccc(S(=O)(=O)N4CCOCC4)cc1)[C@@H](C2)C3=O 587448323 IEZTVHJTXMXBHI-PGRDOPGGSA-N 429.494 2.379 0 1 IEAF O=C1N=C2NNC(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)=C2[C@@H](C(F)(F)F)[C@H]1O 1857546179 MGSSKLHSJWOWAY-TZMCWYRMSA-N 449.355 2.157 0 1 IEAF CN(C)c1cccc(Oc2nnnn2[C@@H]2CO[C@@H]3[C@H](NCC4CCCCC4)CO[C@@H]32)c1 2356854204 RMSJHKFFXMCKII-XRXFAXGQSA-N 428.537 2.409 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)NCc3ccc(Cl)cc3)ccc21 203474682 JADFQWMHJUABKL-UHFFFAOYSA-N 435.933 2.234 0 3 IEAF CCOC(=O)C1CCN(C(=O)CCCOc2ccc3nc4[nH]c(=O)[nH]c4cc3c2)CC1 13725678 FYTROBAKOHFNCC-UHFFFAOYSA-N 426.473 2.365 0 1 IEAF N=CN1CCC(CCC(=O)N2CCC[C@@H](C(=O)N[C@@H](CC(=O)O)c3cccnc3)C2)CC1 13803246 ZCECQUACUYXKTJ-UXHICEINSA-N 443.548 2.051 0 1 IEAF N=C(N)c1ccc2c(c1)ncn2CC(=O)Nc1ccc(-c2ccccc2S(N)(=O)=O)cc1 13835118 UUIKNXMLKCXFFZ-UHFFFAOYSA-N 448.508 2.273 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccncc3)s2)CCN1CCNc1ccncc1 25986516 WQUMQKDHQHWSSX-KRWDZBQOSA-N 443.554 2.196 0 1 IEAF O=C([C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1)N1CCSCC1 45338789 CNDSJWDEFSAWMN-FBHSLPMESA-N 438.549 2.326 0 1 IEAF CCc1nc(C(=O)N[C@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 82074640 PUQSJFBLBDIPCP-GOSISDBHSA-N 449.573 2.142 0 1 IEAF 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GNPPMCPCONLORU-DYXWJJEUSA-N 432.565 2.180 0 1 IEAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 95886395 ULRKEPHJJCGVCG-TVFCKZIOSA-N 445.343 2.269 0 1 IEAF NC(=O)n1cc(CC(=O)N2NCC[C@@H]2C(=O)NCc2cccc(Cl)c2)c2ccccc21 148196828 HIEUQZOATBCTOB-LJQANCHMSA-N 439.903 2.186 0 1 IEAF Nc1ncc(-c2ccc(-c3cccnc3S(=O)(=O)CCN3CCOCC3)cc2F)cn1 224703775 YFCRGWQEPHVVPI-UHFFFAOYSA-N 443.504 2.033 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]1[C@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N 253749790 HMKMQVYWJCUWJS-YRWGSWDYSA-N 443.475 2.136 0 1 IEAF C[C@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(Br)cc(C(=O)O)c2[nH]1 586958675 KWKXICCWKKEPQM-INIZCTEOSA-N 440.275 2.493 0 1 IEAF C[C@@H]1S[C@@H]2N[C@H](CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)NC(=O)[C@@H]2[C@@H]1C 618014381 XQHFDFNKFUQLTB-ZQEVQQAZSA-N 448.614 2.243 0 1 IEAF c1cc(=NCCN2CCOCC2)[nH]cc1-c1cn2c(-c3ccc4c(c3)OCO4)cnc2cn1 1857587757 NVOAIHYLNIPNOB-UHFFFAOYSA-N 444.495 2.353 0 1 IEAF COc1ccc(CNC(=O)c2cnc(C(F)(F)F)nc2N2CCOCC2)c(OC)c1 1857774996 ZKZGTDRKXSRLBM-UHFFFAOYSA-N 426.395 2.279 0 1 IEAF O=S(=O)(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCSCC1)c1ccc(Cl)cc1 2356718521 XUUZXHCGSVBPGE-NUJGCVRESA-N 430.039 2.378 0 1 IEAF COc1ccc2nc(N3CCC[C@@H](C(=O)NCCCN4CCN(C)CC4)C3)sc2c1 20113923 FIOBDPCCLWNSCI-QGZVFWFLSA-N 431.606 2.275 0 3 IEAF O=C(Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cc1)c1cnccn1 26147178 WIYVPLMTDSOTHN-UHFFFAOYSA-N 437.525 2.235 0 3 IEAF COc1cc(Nc2nn3c(N[C@@H](CO)C(C)C)cc(C)nc3c2C(N)=O)cc(OC)c1 29123380 LGJSOGNULIDMSX-INIZCTEOSA-N 428.493 2.326 0 1 IEAF CCOC(=O)c1sc(Nc2nccc(NCc3ccc(S(N)(=O)=O)cc3)n2)nc1C 40404772 FRQXJRYOEOHNKP-UHFFFAOYSA-N 448.530 2.421 0 1 IEAF CCNCc1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 40505887 WXTLHARMIULLGQ-PFBSIADCSA-N 445.585 2.086 0 1 IEAF N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)c1nccs1 40564641 WOPVWOZKWCHHCX-INIZCTEOSA-N 431.543 2.089 0 1 IEAF O=C(N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC(Br)=NO1)Oc1cccnc1 70460293 OBPIODFSFQWPRP-HOTGVXAUSA-N 447.289 2.395 0 1 IEAF C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 82213272 RDIUJKUNNHBFNZ-NBHGPNQESA-N 440.544 2.071 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CC3)ccc2OC[C@@H](C)N(C(C)=O)C[C@@H]1C 95679660 WOSANDNCOYBBEC-PDSXEYIOSA-N 431.533 2.388 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCC3)N(Cc3ccncc3)[C@@H]21 95795539 OKFZFSWRFDKJHI-IVICNMDLSA-N 434.540 2.109 0 1 IEAF CCNC(=O)c1ccc(N2CCN(Cc3cc4c(c(OC)c3)O[C@H](C)C(=O)N4)CC2)cc1 96274143 QDUAZTRDSVEUIJ-MRXNPFEDSA-N 438.528 2.487 0 1 IEAF COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(NC(C)=O)ccc4c3=O)C[C@@H]21 100886713 CDHRNZXTVNDRBC-HRAATJIYSA-N 448.523 2.319 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)[C@@H]1CCOC1 169697023 YNWOVSGFFVVSBU-AQNXPRMDSA-N 428.577 2.240 0 1 IEAF COc1ccc(NC(=O)CSc2nc3ccc(N4CCN(C)CC4)nc3[nH]2)cc1OC 299822872 PGIPTIRCQWQATK-UHFFFAOYSA-N 442.545 2.458 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO 299883526 RMBIUPUSRMHUHG-KVSKMBFKSA-N 435.590 2.481 0 1 IEAF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@H]1c1cncc(F)c1 963689159 ZOBNOVBHBRWIEE-FDFHNCONSA-N 435.455 2.424 0 1 IEAF C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 1857545710 YJLSDGOPIVJYAD-JOCHJYFZSA-N 437.477 2.137 0 1 IEAF Cc1cc2c(c(C(=O)NCC(=O)O)c1)Oc1c(cc(C)cc1C(=O)NCC(=O)O)S2 1649652 SVAAASCIDOTRJA-UHFFFAOYSA-N 430.438 2.189 0 1 IEAF COc1cc2nc(NCCCCCO)nc(NCCCN3CCOCC3)c2cc1OC 82119735 FXKYTLJFMIZZPN-UHFFFAOYSA-N 433.553 2.356 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95795204 GBNDAOCBOQNOMP-LMLBSLPGSA-N 440.503 2.458 0 1 IEAF COc1cccc([C@@H]2[C@H](C(=O)c3cccs3)C(=O)C(=O)N2CCN2CCOCC2)c1 100270889 AEDPGIQJHVIABA-RTBURBONSA-N 428.510 2.040 0 1 IEAF CN1CCN(c2ccc(Nc3nccc(Nc4cccc(S(N)(=O)=O)c4)n3)cc2)CC1 1772613710 LSQMEVXMJBSOCB-UHFFFAOYSA-N 439.545 2.363 0 1 IEAF CNCC(=O)N[C@H]1CCN2C(=O)c3cc(C=Cc4ccc(OC)cc4)ccc3NC(=O)[C@@H]2C1 2356864254 VSWSLUWVTQBVBK-AVRDEDQJSA-N 448.523 2.127 0 1 IEAF CCc1c2c(nc3ccc4c(c13)NCCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 3934178 PWZXVWDJDUNFLF-DEOSSOPVSA-N 433.464 2.446 0 1 IEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NCc4ccccc4)CO[C@H]23)cc1 4235617 WODAUJWZNLMVEU-MTQWCTHYSA-N 427.457 2.278 0 1 IEAF biogenic CNCC(=O)N[C@@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]2C1 25202218 YWFAHMQOGKOKCD-VQIMIIECSA-N 426.904 2.268 0 1 IEAF biogenic N=C(N)c1cccc(C(=O)N[C@@H](C(=O)N2CCN(c3ccncc3)CC2)c2ccccc2)c1 27763614 FNTOJBJUDKELHS-JOCHJYFZSA-N 442.523 2.186 0 1 IEAF CC(C)[C@H](NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)O 40403881 MFYWCBCSORYQGC-KRWDZBQOSA-N 440.499 2.345 0 1 IEAF C[C@]1(O)[C@](C)(O)[C@H](CO)O[C@](C)(Oc2ccc3cc(Br)ccc3c2)[C@]1(C)O 95535407 FBCOCEOUPLDMNE-YHDCXSKOSA-N 441.318 2.341 0 1 IEAF O=C(C[C@H]1C[C@H]2c3cc(NC(=O)C4CCC4)ccc3O[C@H]2[C@@H](CO)O1)NCC(F)(F)F 95899668 JJTXKXWGELMLKZ-ZSFPCNDZSA-N 442.434 2.488 0 1 IEAF C[C@@H](O)Cn1c2cnccc2c2cnc(Nc3ccc(N4CCC(N(C)C)CC4)nn3)nc21 169706864 WAFWIBSOAOXTBP-OAHLLOKOSA-N 447.547 2.424 0 1 IEAF O=C(CCc1nc2ccc(S(=O)(=O)O)cc2[nH]1)Nc1nnc(-c2ccncc2)s1 587024473 BDCWXYRVCRJNAN-UHFFFAOYSA-N 430.471 2.294 0 1 IEAF CN1CCN(CCc2ccc(NC(=O)c3ccc4nc(CC(=O)N(C)C)[nH]c4c3)cc2)CC1 587197908 XKLJJCCVIBVWII-UHFFFAOYSA-N 448.571 2.236 0 1 IEAF Cn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)n3nc4cc3Oc3ccc(F)cc3-4)C2)cn1 587875184 HLIAFAYWNZKKGD-GFCCVEGCSA-N 431.449 2.270 0 1 IEAF O=S(=O)(NC[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@H]1O)c1ccccc1 2356774472 YRFFQZOKRHBDIY-UZKOGDIHSA-N 444.509 2.477 0 1 IEAF O=C(c1cccc(F)c1)N1CC(=O)N2[C@H](CO)[C@@H](c3ccc(Br)cc3)[C@@H]2C1 206063912 FXRLIPBAAULXAR-SCTDSRPQSA-N 433.277 2.400 0 3 IEAF C=CC(=O)OCCOC(=O)CCC(=O)O[C@H]1C(=O)N(SC)[C@@H]1c1ccccc1Cl 28816438 LPFBBGRRTMIUGF-QZTJIDSGSA-N 441.889 2.466 0 1 IEAF O=C(NCc1ccc(-c2cccnc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1 71333141 BJJLXZDUELMSPM-WXFUMESZSA-N 445.519 2.450 0 1 IEAF CCOC(=O)[C@H]1[C@@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291563 JGPVDMQJJVPTJR-SPYBWZPUSA-N 428.359 2.395 0 1 IEAF CC(C)(NS(=O)(=O)c1ccccc1F)C(=O)NC1[C@H]2CC3C[C@H]1CC(C(=O)O)(C3)C2 473128613 CVRKUBKSVAOYAB-OAPRPUCWSA-N 438.521 2.278 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)ncc3[nH]2)[C@@H](C)O)cc1 586937741 NCUYTBNQKOUYSJ-PSLIRLAXSA-N 430.408 2.386 0 1 IEAF Nc1c(O)cccc1[C@]1(C[C@H](N)C(=O)O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587582284 ZJYRALKPWNCLDG-IJRIMCCZSA-N 436.420 2.339 0 1 IEAF Nc1cc(C(=O)Nc2cc(F)c(F)c(F)c2)cc(S(=O)(=O)N2CCC(O)CC2)c1F 1857614067 KSVGSHZZCSUZRU-UHFFFAOYSA-N 447.410 2.223 0 1 IEAF CCN(CC)C[C@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 8662091 DVKDZWDFJUUCND-MRXNPFEDSA-N 448.589 2.020 0 1 IEAF Nc1nc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)cs1 13766352 LNYPUAWZFHLMGZ-PZJWPPBQSA-N 449.580 2.492 0 1 IEAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)[C@H](O)c3ccccc3)C[C@H]12 25209408 JXHFZGCMKZHUFW-TZIWHRDSSA-N 431.448 2.285 0 1 IEAF biogenic N[C@@H](C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3cccs3)CC[C@H]12)c1ccccc1 26295913 FFCYZYKFZYHCDI-WQVCFCJDSA-N 429.523 2.326 0 1 IEAF COc1cccc(-c2nc3c(nc2-c2cccc(OC)c2)N(C)S(=O)(=O)N=C3N)c1 26979700 SDIDCKMYDAORIG-UHFFFAOYSA-N 425.470 2.228 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc2c(c1)N[C@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27216238 RFXILZMBDGHUBF-VPWPZPCASA-N 443.569 2.435 0 1 IEAF O[C@H]1CCN(C/C=C/I)C[C@H]1N1CCN(c2ccccc2)CC1 40564240 VRYCGFIQYQENPX-PGHYUYILSA-N 427.330 2.193 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N3CCC[C@@H](C(=O)N4CCNCC4)C3)cs2)c1 82081393 YIVSBUALPLKIOR-OAHLLOKOSA-N 444.557 2.111 0 1 IEAF C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)CCc3ccccc3)CC2)cc1 84733821 QLXWMPCZCUDTNR-UHFFFAOYSA-N 427.526 2.277 0 1 IEAF Cc1ccc(N2C(=O)[C@H]3C[C@H](n4[nH]c(=O)n(Cc5ccccc5)c4=O)C=C[C@H]3C2=O)cc1 299814214 NSKRXGIBHQDJKC-AQNXPRMDSA-N 430.464 2.002 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@H](C)CO 299874163 AXQFQXGWVHHFIC-DUXKGJEZSA-N 432.561 2.301 0 1 IEAF CC(C)CCC[C@H](C)CCOc1ccc[n+](CC(O)(P(=O)(O)O)P(=O)(O)O)c1 1857533613 WVZIPNOUIZBWTA-HNNXBMFYSA-O 440.390 2.207 0 1 IEAF CO[C@@H]1C=C[C@H](OC(=O)c2ccccc2)[C@@H](OC(C)=O)[C@@]1(O)COC(=O)c1ccccc1 14489603 LKJMMXIRHXNZPL-FBHSLPMESA-N 440.448 2.317 0 1 IEAF biogenic COC1=C2C(=C[C@@H](OC)[C@@H]1OC)CC[C@H](NC(=O)CO)c1cc(=O)c(SC)ccc12 27718641 UQOMYZHHEJVIHI-XPIZARPCSA-N 433.526 2.040 0 1 IEAF CCCCCCCCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CNC(=O)[C@H]1Cc2ccccc21 59426390 FTHVWECPTFDQCS-ODTAKUCXSA-N 432.605 2.350 0 1 IEAF CS(=O)(=O)N1CCC(NC(=O)N[C@@H]2CCN(Cc3ccc4cc(F)ccc4c3)C2)CC1 95578388 MRDALPNNBFAFFS-OAQYLSRUSA-N 448.564 2.276 0 1 IEAF Cc1cc(C(=O)Nc2n[nH]c3c2CN(C(=O)N2C[C@@H]4CCCN4C[C@@H]2C)C3(C)C)n(C)n1 114179918 KUVBGTNKTILQEZ-GJZGRUSLSA-N 440.552 2.043 0 1 IEAF O=C1C[C@](O)(C(F)(F)F)C2=C(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)NNC2=N1 210614360 HNXQXQMRFKVNKY-MRXNPFEDSA-N 449.355 2.301 0 1 IEAF Cn1ccnc1SCC1=C[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)C(=O)CO1 963215530 BNOVBLWWAJKNNJ-AVRDEDQJSA-N 436.493 2.038 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(N)(=O)=O)[C@@]1(C2)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963222151 GGZXLYRYAANAJS-YDKIPTJISA-N 429.542 2.144 0 1 IEAF C[C@](O)(CCCCCCCCCCCCC[C@@H]1O[C@H](O)[C@H](N)[C@H](O)[C@H]1O)CCC(=O)O 2356448109 OWCIHWWFLRMJBF-VWVXBLKWSA-N 447.613 2.440 0 1 IEAF COc1cc([C@@H]2c3cc4c(c(O)c3C(=O)[C@@H]3CCC(=O)N32)OCO4)cc(OC)c1OC 1856978 BARMBVQBEBSKCX-KPZWWZAWSA-N 427.409 2.423 0 1 IEAF O=C1Nc2ccc(-c3ccc(Cl)cc3)cc2C(=O)N2CCN(C(=O)[C@@H]3CCCN3)C[C@@H]12 25208129 XMWGQICRJTXCNR-PMACEKPBSA-N 438.915 2.364 0 1 IEAF biogenic COc1cccc2c1C[C@]1(C2)C[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3C)[C@H](O5)C1=O 36286733 BIEACPWHNAUZTR-WWCQIOBWSA-N 433.504 2.149 0 1 IEAF NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1c1ccc(N)cc1 38739081 NXBVVXKBCHFRQO-DYVFJYSZSA-N 437.475 2.330 0 1 IEAF O=C1NCCN(Cc2cccc(F)c2F)[C@H]1CC(=O)N1CCC(O)(c2ccccc2)CC1 39437466 DQCADZNUUJDHOS-FQEVSTJZSA-N 443.494 2.166 0 1 IEAF COc1ccc(-c2cc(-c3ccc(C(=O)NCCN4CCOCC4)cc3)cnc2N)cn1 95572845 WGEPNHZGKKWHID-UHFFFAOYSA-N 433.512 2.463 0 1 IEAF 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CCCCC[C@@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cc(C)cc2C1=O 82167592 WHZGILOMWCHTGD-FQEVSTJZSA-N 444.576 2.095 0 1 IEAF C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@H](C)CO)S2(=O)=O 95702141 HGRXOVGPYAFSIY-AGICPTHUSA-N 436.574 2.357 0 1 IEAF O=C(CC1CC1)N1[C@@H](CO)[C@@H]2c3ccccc3N(S(=O)(=O)c3ccccc3F)C[C@@H]21 95894755 ZYQPXGZEYFFOJA-CNNODRBYSA-N 430.501 2.490 0 1 IEAF N#Cc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC2CCOCC2)C3)c1 112974121 BSKNXUASTKGGSI-UHFFFAOYSA-N 427.892 2.483 0 1 IEAF C[C@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 169703266 LVDBZNXFTRKCRA-KRWDZBQOSA-N 438.528 2.340 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)c1ccccc1)c1ccccc1 195141861 GFWCASGSHHDONA-VUZIEMLISA-N 441.487 2.242 0 1 IEAF Cc1cc2cc(Oc3nc(NC4CC4)n4ncc(/C=C5\NC(=O)NC5=O)c4n3)ccc2[nH]1 205028048 LLXMPDLVJDPXLI-PXNMLYILSA-N 430.428 2.461 0 1 IEAF C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 299886073 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169699479 ALMDHEUNMRPHNP-ZIAGYGMSSA-N 444.540 2.347 0 1 IEAF Cc1cccnc1N(C(=O)c1ccc(-c2cnn(C)c2-c2nn[nH]n2)cc1)[C@@H]1CCCNC1 219154228 HJTMDLYIUBUNBH-GOSISDBHSA-N 443.515 2.369 0 1 IEAF CCOC(=O)CNC(=O)O[C@@H]1C(=O)c2ccc(OC)cc2O[C@H]1c1ccc2c(c1)OCO2 8681975 GVEHTRFPNPSVNZ-LEWJYISDSA-N 443.408 2.398 0 1 IEAF CC(=O)OCC(=O)[C@]1(O)[C@H](C)C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C 13783338 AKUJBENLRBOFTD-QMLCSPHBSA-N 434.504 2.467 0 1 IEAF CS(=O)(=O)c1ccc(-c2cnc3ccc(-c4cccc(S(N)(=O)=O)c4)nn23)cc1 169306653 FSQQVDWFEFMBIK-UHFFFAOYSA-N 428.495 2.114 0 1 IEAF C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(CN2CCN(C)CC2)cc1 221665582 GNNQUSABQDTPGU-SQGPQFPESA-N 440.548 2.103 0 1 IEAF COCC(=O)Cc1nc2ccc(C(=O)Nc3ccc(CN4CCN(C)CC4)cc3)cc2[nH]1 587563659 WAMIPKIBWMRWJO-UHFFFAOYSA-N 435.528 2.321 0 1 IEAF C[C@H]1CCCN(c2ccccc2CNC(=N)NC(=O)c2ccc(C[C@H](N)C(=O)O)cc2)C1 653850163 KNCSKDAOWPOUFL-JXFKEZNVSA-N 437.544 2.332 0 1 IEAF COC(=O)N1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(=N)[nH][nH]3)CC2)C[C@@H]1C 1857640163 NZJYXHAPDQHINW-KSSFIOAISA-N 447.971 2.223 0 1 IEAF CN(Cc1ccccc1)[C@@H]1[C@H](CNC(=O)c2ccc(C(F)(F)F)cc2)O[C@H](CO)[C@H]1O 2356543475 NZGQZEPGVHMYQD-MTQWCTHYSA-N 438.446 2.056 0 1 IEAF CO[C@]1(Cc2ccc3c(c2)OCO3)OC[C@@H]2[C@H](Cc3ccc4c(c3)OCO4)OC[C@]21O 2356644392 DOHWIZQQMDSAHJ-FERXELFHSA-N 428.437 2.048 0 1 IEAF CN1[C@H]2CCN(Cc3ccccc3)[C@H]2C(=O)NC[C@H]1CCC(=O)NCc1ccc(F)cc1 2356868488 XCJDVUZSHVQPGR-AOHZBQACSA-N 438.547 2.295 0 1 IEAF CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)NCc2ccccc2)CC1 13084809 WWASNCSXONDAFM-JOCHJYFZSA-N 440.519 2.363 0 3 IEAF N[C@H](Cc1ccccc1)C(=O)N1CCc2nc(O)n3nc(-c4ccccc4F)nc3c2C1 13824538 NPDXWHHLLNTIIB-GOSISDBHSA-N 432.459 2.091 0 1 IEAF CCc1c2c(nc3ccc4c(c13)N(C)CCO4)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 13862718 DEDSBNULGFPKPQ-VWLOTQADSA-N 447.491 2.471 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)C1CCOCC1)O2 95734287 WESXQGCLCDUYEJ-UENYPMNWSA-N 445.560 2.220 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)Cc1ccccc1)CC31CN(C(C)=O)C1 95865185 AJVUIOQEUKYYNV-JOCHJYFZSA-N 447.535 2.405 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2C(=O)Nc2ccc(F)cc2)O1)NC1CCC1 95886509 USTKRYYMXKIIKC-FUMNGEBKSA-N 435.496 2.026 0 1 IEAF O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CC[C@@H](CCNC(=O)C2CCCC2)O[C@H]1CO 95903222 CEDMVILSAFEDMB-ZWOKBUDYSA-N 433.505 2.142 0 1 IEAF CCCc1cn(CC[C@H]2CC[C@@H](NC(=O)Nc3ccc4c(c3)OCO4)[C@H](CO)O2)nn1 95906802 IGZZKGWMEGNSAE-HLIPFELVSA-N 431.493 2.080 0 1 IEAF Cc1ccc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2cccnc2)s1 96282345 CONNDCLCLLMVFT-IFPLKCGESA-N 427.522 2.224 0 1 IEAF CC(C)C1=C2[C@H]3CC=C4[C@H]5[C@H](O[C@H]6OC[C@@](O)(C(=O)[C@]56O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 104359966 YHVXQLPNJVSDTP-ADUOXZNDSA-N 430.541 2.263 0 1 IEAF in-man NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1ccc(-c2ccccc2)n1 114056311 YAJUREDVHDQEOI-NRFANRHFSA-N 439.475 2.330 0 1 IEAF CO[C@@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C\[C@H]1C 169299092 HHEXKUYCUJXZBF-QXCXWNSCSA-N 437.533 2.272 0 1 IEAF O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(C4CC4)cc3)nc2)C1=O 208177142 FRLBQNHFDRCBNF-UHFFFAOYSA-N 437.452 2.497 0 1 IEAF Cc1ccc(S(=O)(=O)N[C@@H](CNC(=O)OC(C)(C)C)c2nc3cnncc3[nH]2)cc1 586953439 UQXBGYORPGPXHN-INIZCTEOSA-N 432.506 2.206 0 1 IEAF CS(=O)(=O)[C@@H](C(=O)NCC(=O)NC1CC1)c1nc2ccc(-c3ccccc3)cc2s1 1857585311 GHCPCACIMXRWEZ-IBGZPJMESA-N 443.550 2.444 0 1 IEAF COc1ccc([C@H]2O[C@@H](O)[C@@H]3[C@@H](c4cc(OC)c5c(c4)OCO5)OC(=O)[C@H]23)cc1OC 1911576859 VBRSHBGIUDRWEJ-FEEZOJJESA-N 430.409 2.361 0 1 IEAF COc1cc(NC(=O)c2cc(-c3ccc(OC)c(S(N)(=O)=O)c3)[nH]n2)cc(OC)c1 1911578673 YWVSQEMDOHGIOR-UHFFFAOYSA-N 432.458 2.002 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O)c1ccccc1 2356367156 XDYXBHOWEUHZGF-PFKOEMKTSA-N 446.595 2.408 0 1 IEAF CCn1cc(C(=O)NC[C@H]2CCCO2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21 4034932 ICMSKBJJXQSAAH-MRXNPFEDSA-N 447.557 2.105 0 3 IEAF Cn1c(=O)c2ccccc2n2c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)nnc12 9831569 WXNGSBLPHRZOAP-UHFFFAOYSA-N 444.539 2.295 0 1 IEAF N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC2(c3cccnc3)CC2)c1F 28956124 FEKRCUYOLHODEZ-UHFFFAOYSA-N 434.903 2.091 0 1 IEAF COC(=O)[C@@H]1Cc2ncn(Cc3ccc(OC)cc3)c2CN1C(=O)c1ccccc1C(=O)O 35442244 VIULHUIQUDHTBC-FQEVSTJZSA-N 449.463 2.378 0 1 IEAF biogenic CC(C)C[C@@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82208600 GNPPMCPCONLORU-ZJOUEHCJSA-N 432.565 2.180 0 1 IEAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@H]1C 95690479 ZSTCKDKDRWVGTF-FVJLSDCUSA-N 435.565 2.488 0 1 IEAF CCCN1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@@H]1C 95690660 GJWLNKOJEVXCCA-GQIGUUNPSA-N 441.594 2.274 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cc(C)on3)ccc2OC[C@H](C)NC[C@H]1C 95693209 JSRBXIHVEPNVJQ-CKNLXJGOSA-N 430.505 2.329 0 1 IEAF CNC[C@@H]1Oc2cc(-c3ccccc3OC)ccc2S(=O)(=O)N([C@H](C)CO)C[C@H]1C 95726775 JZQFKZVEVPOAGL-ZOCZFRKYSA-N 434.558 2.350 0 1 IEAF 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O=C(NC[C@@H](c1ccc(C(F)(F)F)nc1)N1CCOCC1)[C@@H]1COc2ncsc21 223961290 FBNQMSCEOQSEST-OLZOCXBDSA-N 428.436 2.223 0 1 IEAF CCOC(=O)CCOCCCOCCc1nc2cc(I)cnc2[nH]1 587569147 PDNUCWMWMIQGEB-UHFFFAOYSA-N 447.273 2.482 0 1 IEAF O=C(Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12)N1CCOCC1 621478349 PHAFJNFDDUJXQJ-UHFFFAOYSA-N 436.472 2.049 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@@H]2O)cc1 2356286795 QHTMMJHSAKIGIG-MLHJIOFPSA-N 431.432 2.270 0 1 IEAF CC(=O)O[C@H]1C[C@@]2(O)[C@@H]3CC[C@H]4C[C@@H](O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1C1=CC(=O)OC1 2356585350 MRSYLGMKONMJAQ-POPQMPLFSA-N 448.556 2.117 0 1 IEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@]4(CO)C(=O)O[C@@H]5CC[C@H](C)[C@@]1(C)[C@@]5(O)C[C@@]24O3 2356590496 QBBBYGQGNJHPPR-FSXAZUOPSA-N 432.513 2.197 0 1 IEAF CO[C@]1(Cc2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)OC[C@@]21O 2356644390 DOHWIZQQMDSAHJ-BGACZQCLSA-N 428.437 2.048 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@H]2CN1CCN(C2=CC=C[CH]N2)CC1)Nc1ccccc1 2356870021 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O=C(C[C@@H]1C[C@@H]2O[C@H](CNC(=O)Nc3cccs3)[C@H](O)[C@@H]2O1)NCc1ccc(F)cc1 2356737556 CMHOMNWLJQKQGW-RQOBALISSA-N 449.504 2.001 0 1 IEAF O=C(NC[C@H]1C[C@H]2CCN1C[C@H]2CN1CCN(C2=CC=C[CH]N2)CC1)Nc1ccsc1 2356827573 HZYAGPPIQLLIOQ-SFHLNBCPSA-N 441.625 2.360 0 1 IEAF CCOC(=O)C1=Cc2c(nc3ccccn3c2=O)N(CCc2ccc(OC)c(OC)c2)[C]1N 2356862744 IAXRQFFJZQORHL-UHFFFAOYSA-N 449.487 2.169 0 1 IEAF O=C(Cn1c(=O)n(Cc2ccccc2)c(=O)c2c3c(sc21)CCC3)NC[C@H]1CCCO1 2467544 WSIJDMUBKMAIIX-MRXNPFEDSA-N 439.537 2.057 0 1 IEAF O=C(N[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 4547846 VEDFFGQWIFFECN-QCFAMHMHSA-N 430.549 2.076 0 1 IEAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)[C@@H](O)[C@H](O)C(C)(C)O4 13436887 KANDATZVPJBSEB-FIBVWIARSA-N 428.437 2.389 0 1 IEAF biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NCc2cccnc2)C(=O)[C@@]31C 15955482 BJEUBCIHSANOBT-JBEBIEQOSA-N 447.495 2.312 0 1 IEAF biogenic Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@H]2C)cc1 95818613 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CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1Cc2ccccc2C1 95880665 RYRKJVGHCQEZAP-YQIMAOPZSA-N 445.563 2.293 0 1 IEAF CCOCC[C@]1(Oc2ccc(Oc3cccc(Cl)c3)cc2)C(=O)NC(=O)[C@H](N)C1=O 101011888 HYDHEJPXRHGPLP-DYESRHJHSA-N 432.860 2.229 0 1 IEAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(N2CCc3c(N)cccc3C2)nc1 199941895 GKWYRCLXFREPES-UHFFFAOYSA-N 426.546 2.402 0 1 IEAF C[C@@]12CC[C@@H](O)[C@@](C)(CO)[C@H]1CC=C(Cn1ccc(=N)nc1O)[C@H]2CCC1=CCOC1=O 653762975 PTBKNAVOKZUQFR-CXUMOHRFSA-N 443.544 2.054 0 1 IEAF Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc3c(cc12)CC[C@@H]3O 1857594761 CKJISAGXNOAAKI-SFHVURJKSA-N 437.569 2.240 0 1 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccc(-n3oo3)cc1)C=C1C(=O)OC[C@]12O 2356715780 QZSVUQMGYQDDIX-RNPPMORTSA-N 431.441 2.222 0 1 IEAF Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)CC2)cc1 9856464 GSUZJSFCWZHEAS-UHFFFAOYSA-N 429.498 2.479 0 3 IEAF OC[C@@H]1CN(Cc2cccs2)C[C@H](n2cnc3c(NCc4ccncc4)ncnc32)O1 61902173 LXYIUIOLHBSQCJ-FUHWJXTLSA-N 437.529 2.287 0 3 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)N[C@@H](C)CO 4381827 ZOAMONKLMYFYBX-IEZWGBDMSA-N 429.542 2.100 0 1 IEAF COc1ccc(NC(=O)O[C@@H]2CO[C@@H]3[C@@H](NC(=O)NCc4ccccc4)CO[C@@H]23)cc1 25228124 WODAUJWZNLMVEU-NMLBUPMWSA-N 427.457 2.278 0 1 IEAF biogenic Cc1c(Cl)nc(NCc2cccc(CN)c2)c(=O)n1CC(=O)Nc1cccc(CN)c1 28379135 YBRIOBCYUFHTCF-UHFFFAOYSA-N 440.935 2.373 0 1 IEAF CCOc1ccccc1-c1nc(C(=O)N[C@@H](C)C(=O)N[C@H]2CCCCNC2=O)cs1 82070576 XKJNEPHPLFCFLH-ZFWWWQNUSA-N 430.530 2.112 0 1 IEAF O=C(NCc1ccccc1F)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1CC1CCCC1 95881009 RZSKPYRTHIMURV-PBIIQAGSSA-N 439.531 2.458 0 1 IEAF O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3ccc(Cl)cn3)cc2)C1=O 208177086 XAXSBHIQUNHEPP-UHFFFAOYSA-N 431.832 2.273 0 1 IEAF Nc1cnc(-c2ccc(-c3ccccc3C(=O)N3CCS(=O)(=O)CC3)cc2F)cn1 224779845 SAGCLNJHRTWHGT-UHFFFAOYSA-N 426.473 2.403 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@@H](C)CO)c1 299886117 WPXZETWTKRTYHQ-LDQXTDLNSA-N 442.512 2.001 0 1 IEAF C[C@H](CC=CC=C[C@@H]1CC[C@]2(C[C@@H]3OC(=O)[C@](C)(CO)[C@@H]3O2)O1)OC(=O)[C@H](C)[C@@H](C)O 2356628279 NQHCVEOIXCDKGY-ZVSMCMQZSA-N 438.517 2.026 0 1 IEAF COc1ccc(CCNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@H](O)[C@@]3(C)CO)cc1OC 2356736829 SQERSHJUKJUYMS-BUUJQURPSA-N 449.588 2.299 0 1 IEAF COc1ccc2c(c1)[C@@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)CC2=O 26268355 UPBQIORKOUEFRI-XPGWFJOJSA-N 445.560 2.302 0 1 IEAF CC1(C)S[C@@H]2[C@H](N3C(=O)c4ccccc4C3=O)C(=O)N2[C@H]1C(=O)NCc1ccccc1 49784473 IOIZJJAYUVTSQN-HYFFOGBASA-N 435.505 2.030 0 1 IEAF CC[C@@H](C)[C@H](NC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O)C(=O)O 66104219 WLKPBQNNCGHZSN-PVAVHDDUSA-N 437.493 2.335 0 1 IEAF Cc1ccccc1CN(C)C[C@@H]1OCc2cn(nn2)CCCC(=O)N([C@@H](C)CO)C[C@@H]1C 95818540 RZJYZFKNZOCSJO-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)NC[C@H]3CNC(=O)C3)[nH]c12 205653843 YBLMLDRHOABNCC-CQSZACIVSA-N 444.499 2.276 0 1 IEAF O[C@@H]1CN(C/C=C/I)CC[C@H]1N1CCN(c2ccccc2)CC1 253639726 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CC1=NN(C(=O)c2cc3ccccc3oc2=O)C(=O)[C@H]1CNc1ccc(O)c(C(=O)O)c1 169351900 DFPQDTAFBIPZQL-INIZCTEOSA-N 435.392 2.283 0 1 IEAF CC[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(C)cn1 205040373 ZEILGIXAMITBLV-MEFZMRIGSA-N 433.476 2.146 0 1 IEAF C[C@H](NC(=O)[C@@H](N)c1ccccc1)C(=O)N[C@H]1CC=C[C@H](C2CCCCC2)N(C)C1=O 473096826 AQHAXDQTHJUEHN-DVWBAYGPSA-N 426.561 2.043 0 1 IEAF O=S(=O)(c1ccc2nc(-c3cc(F)nc(N4CCCC4)c3)[nH]c2c1)N1CCOCC1 587177232 DLYWQXSOIGYBRF-UHFFFAOYSA-N 431.493 2.385 0 1 IEAF COc1nccc(I)c1[C@@H]1N[C@H](C(=O)O)Cc2ccc(O)c(C)c21 963522536 FFHYRCNUEGYWPI-XHDPSFHLSA-N 440.237 2.397 0 1 IEAF O=C1N=C2NNC(C3CCN(c4ccc(C(F)(F)F)cn4)CC3)=C2[C@H](C(F)(F)F)[C@@H]1O 1857583484 MGSSKLHSJWOWAY-JSGCOSHPSA-N 449.355 2.157 0 1 IEAF C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCO)c2c1 1857621337 UJXNXYAPCCFTSF-GOSISDBHSA-N 445.519 2.423 0 1 IEAF CO[C@@H]1C(C)=C(C)[C@@H]2[C@H](Cc3ccccc3)NC(=O)[C@]2(O)[C@@H]1C=CC[C@H](C)[C@H](O)[C@H](C)O 2356839748 LXRTXCAMHFXNMG-ZKLXTJGDSA-N 443.584 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IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3ccc(C(=N)N)cc3[nH]2)C(C)C)cc1 586932392 DSTIVGZCQBAMCV-IBGZPJMESA-N 442.545 2.159 0 1 IEAF CC(C)(C(=O)N[C@H]1[C@H]2C[C@@H]3C[C@H]1C[C@@](CC(N)=O)(C2)C3)c1ccc(N2CCOCC2)nc1 1857575359 BMMNJMWULKMUEW-USNLYPJFSA-N 440.588 2.382 0 1 IEAF COC(=O)C1=C(CN2CCOCC2)NC(c2ncc(C)o2)=N[C@]1(C)c1ccc(F)cc1 1857605223 XBRKGOJEVPIFGX-JOCHJYFZSA-N 428.464 2.147 0 1 IEAF COCC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(C=Cc4ccc(OC)cc4)cc3C(=O)N2C1 2356417722 KCVVWJQZPSOUQJ-UWJYYQICSA-N 435.480 2.163 0 1 IEAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCC(F)(F)CC3)[C@H](O)[C@@H]2O1)NCc1ccc(F)cc1 2356470027 LCTNLIBORYHABU-GCGJSEPQSA-N 442.478 2.285 0 1 IEAF CC(C)N1C(=O)[C@@H]2[C@H](C(=O)NC3CCCCC3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCC1 248012560 RPHPHNVVDAHDDN-OCWLBIEKSA-N 429.561 2.053 0 3 IEAF C[C@H](CO)NC(=O)[C@@H]1C[C@H](OCc2ccc(C(C)(C)C)cc2)CN1C(=O)c1cnccn1 791576 RDIUJKUNNHBFNZ-PBEJRMEISA-N 440.544 2.071 0 1 IEAF Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCCN4C[C@H](C)C[C@@H](C)C4)C3)sc2n1 15943628 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COc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cc(C(=O)N3CCOCC3)no2)cc1 61903750 QFYMVOOTFFISMA-SFHVURJKSA-N 435.502 2.072 0 3 IEAF Cc1cccc(C)c1NC(=O)[C@]1(C)CN(S(C)(=O)=O)CC(=O)N1Cc1cccc(F)c1 199233894 IDXFDSXHWNICQX-QFIPXVFZSA-N 447.532 2.444 0 3 IEAF CCCC(=O)N[C@@H](Cc1ccc(O)cc1)[C@@H](O)NCCCNCCCCCCCCN 27651486 JTDSKKPKSNZTHK-LADGPHEKSA-N 436.641 2.407 0 1 IEAF CC(C)C[C@H](C(=O)N[C@H](C)C(=O)O)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 35804817 XIIBSDVOMUVKRA-MBSYMSIGSA-N 440.500 2.207 0 1 IEAF biogenic CN1CCN(c2ccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3C)C(C)(C)C4)cc2)CC1 53119605 YJAHDBYTVJLWQB-UHFFFAOYSA-N 446.559 2.305 0 1 IEAF COc1ccc(CNC(=O)C[C@H]2CC[C@@H](NC(=O)c3cccc(F)c3)[C@@H](CO)O2)cc1 95675545 DVYXTDYPIFUIBC-NJDAHSKKSA-N 430.476 2.179 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)COC)[C@@H](C)CO2 95680074 PYQSBCBLWVDVHP-FTRWYGJKSA-N 449.548 2.014 0 1 IEAF COCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@H](CO)N2C(=O)C1CC1 95793918 FPZJGDBCVHHPBM-GMAHTHKFSA-N 438.499 2.417 0 1 IEAF O=C(NC[C@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 103298137 HTIOQLIPCSTKTE-JTQLQIEISA-N 429.072 2.046 0 1 IEAF Cc1noc(-c2cc3cc(-c4nc(C(=O)NCCN5CCOCC5)[nH]c4C)ccc3[nH]2)n1 115832804 CMKWGMNMXRXSCJ-UHFFFAOYSA-N 435.488 2.287 0 1 IEAF Cc1c[nH]c2ncnc(N3CCC(O)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12 149823111 JFKVNPYSINXUEZ-UHFFFAOYSA-N 438.488 2.297 0 1 IEAF Cc1cc2c(cc1Cl)SC(NCCc1ccc(S(N)(=O)=O)cc1)=NS2(=O)=O 299826908 IKQLYHAZYIPDPS-UHFFFAOYSA-N 445.975 2.279 0 1 IEAF COC(=O)[C@@]12COC[C@@H](C[C@]3(C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2 587353656 ZRMZEMKCRXLJSP-MQRINHCJSA-N 427.428 2.323 0 1 IEAF COc1ccc(OC)c(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1OC 587927740 TZVXYJSGDFEGQO-UHFFFAOYSA-N 433.486 2.277 0 1 IEAF CN1CCN(C(=O)Cc2cc(-c3ccc(C(=N)N)cc3)oc2-c2ccc(C(=N)N)cc2)CC1 1772590870 WYCYPXINMGJLPZ-UHFFFAOYSA-N 444.539 2.498 0 1 IEAF CCOC(=O)[C@@H](Oc1ccc2c(c1)CN(C(=N)N)CC2)c1ccc(O[C@H]2CCNC2)cc1 3951372 OWKHETGLSIQENA-VXKWHMMOSA-N 438.528 2.362 0 1 IEAF 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CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95855379 MPDMLCBONFVZSW-ZJNRKIDTSA-N 445.520 2.375 0 1 IEAF CN1[C@H](C(=O)NCC2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]21 95881712 ODVRBXJNMOGDSF-RLBLXZPPSA-N 436.556 2.200 0 1 IEAF COc1ccccc1CNC(=O)C1CCC(C/N=c2/c(N3CCCC3)c(O)c2=O)CC1 103590220 ZRADEZWWDCXGSR-QQTULTPQSA-N 425.529 2.260 0 1 IEAF Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(NCCO)nc5)n4)CCC3)cn2)cn1 114767943 GDFNFNBFOVSJBQ-UHFFFAOYSA-N 430.472 2.440 0 1 IEAF O=C(NC[C@@H](c1ccc(C(F)(F)F)nc1)N1CCOCC1)[C@H]1COc2ncsc21 223961391 FBNQMSCEOQSEST-STQMWFEESA-N 428.436 2.223 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H](C)O)ncc3F)C2)cc1 261129750 KXCKQNGEDFXQDR-ZRGWGRIASA-N 431.512 2.288 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O 299874534 BNQCACLDAKCEET-IOMROCGXSA-N 432.561 2.301 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCC2CCCCC2)C[C@@H]1C(=O)NC[C@H](C)O 299887035 YFGHLJOXLFMJBE-KVSKMBFKSA-N 435.590 2.481 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(C(F)(F)F)cnc3[nH]2)[C@H](C)O)cc1 586937829 NSVXWGFAYVTDML-XPTSAGLGSA-N 430.408 2.386 0 1 IEAF CNS(=O)(=O)NCc1nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2[nH]1 586942365 KOQXABZVLNZMQI-UHFFFAOYSA-N 427.408 2.388 0 1 IEAF C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(CC(=O)c2ccc3ccccc3c2)C1=O 1857545711 YJLSDGOPIVJYAD-QFIPXVFZSA-N 437.477 2.137 0 1 IEAF COc1ccc(-n2nc(C(=O)NCC(=O)N3CCC[C@@H](C)C3)c3ccccc3c2=O)cc1 9833403 JSZVXSPTXSYRIH-MRXNPFEDSA-N 434.496 2.383 0 3 IEAF CC(=O)Nc1ccc(S(=O)(=O)NCC2CCN(C(=O)C(=O)c3cccs3)CC2)cc1 199719337 ZKBDQHSKYTUPEZ-UHFFFAOYSA-N 449.554 2.106 0 3 IEAF CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCC(=O)NCc1ccccc1Cl 8673304 GZSHWRVQAKEQDC-UHFFFAOYSA-N 427.910 2.056 0 1 IEAF COCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCCC2)C1 13832113 HCTKREBASUIYNT-INIZCTEOSA-N 428.360 2.318 0 1 IEAF COc1cc(NC(=O)N2CCN3C(=O)[C@@H](CC4CCCCC4)NC(=O)[C@H]3C2)cc(OC)c1 25221306 OCGQTWALKJPRQI-WOJBJXKFSA-N 444.532 2.217 0 1 IEAF biogenic CN(CCCSc1ccc(Cl)cc1)CCC(O)(P(=O)(O)O)P(=O)(O)O 26748203 BHOLRSHAOLPRGS-UHFFFAOYSA-N 433.787 2.146 0 1 IEAF CCOc1c(OC)c(OC)cc2c1C(=O)[C@]1(OC)C=C[C@H]2N(C(=O)OC)N1C(=O)OC 28823721 JSLPYDFSHYUUKS-MPBGBICISA-N 436.417 2.304 0 1 IEAF O=C(O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@H](C(=O)O)C2)C1 72108043 WAERPIMXGQHJEY-STQMWFEESA-N 429.433 2.140 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1CC(C)C 82235301 PUZRZRBRQSFMFT-SFTDATJTSA-N 444.576 2.113 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)CC 95879838 ZQMXAJVKWPPDFG-FTIBCMOBSA-N 441.503 2.081 0 1 IEAF COc1ccccc1-c1cccc2c1CCN2C(=O)Cc1nc(N2CCOCC2)cc(=O)[nH]1 147101702 QSOROLZTNJSTBL-UHFFFAOYSA-N 446.507 2.414 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(Oc4ccc(Cl)cc4F)nc23)N1 205046433 PIJWCTWOUBGLEF-XGICHPGQSA-N 429.799 2.464 0 1 IEAF CN(C)C(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586947401 XNLQSZRTXQRBDH-MRXNPFEDSA-N 428.514 2.389 0 1 IEAF COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1)N2 587353650 ZRMZEMKCRXLJSP-CHEWIWEYSA-N 427.428 2.323 0 1 IEAF CCCCCn1c(C)c(I)c(=O)n(CC(=O)NC(C)(C)C)c1=O 1772606739 DQKWVTPUMXRCPZ-UHFFFAOYSA-N 435.306 2.028 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@@H]2O[C@@H](Cc3cc(-c4ccccn4)on3)CC[C@H]2O)cc1 2356301907 HHPGNSZACNXXAG-ZNLUXHQJSA-N 443.525 2.475 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccsc4)ccc3NC(=O)[C@H]2C1)[C@H]1CSCN1 2356311585 DTXBMQQVHMMDDB-ZTFGCOKTSA-N 442.566 2.119 0 1 IEAF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]2(C)C(=O)[C@H](C(=O)N(C)[C@H](CO)C(=O)O)[C@H](C=C[C@@H](C)O)[C@H]12 2356331452 JDXAKDFLLVKKOO-ADGLYIQNSA-N 447.572 2.277 0 1 IEAF CO[C@@H]1COC(=O)C/C=C\[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H]1C 7998137 KBHPPKYRDDJVFM-NCVHIBIJSA-N 426.506 2.461 0 1 IEAF CC(C)C[C@@H](O[P@](=O)(O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)O 29343929 HXDXVKHKXNKZKA-OFQRWUPVSA-N 444.421 2.465 0 1 IEAF COc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(F)cc(F)cc3F)cc2N)cc1 45300552 GOQGGPPJRFDHSO-UHFFFAOYSA-N 427.360 2.347 0 1 IEAF CNC(=O)NC1=NC(C)(C)N(OCc2ccc(Cl)c(Cl)c2)C(NC(=O)NC)=N1 45334779 OGZRZPUNWBLBPS-UHFFFAOYSA-N 430.296 2.047 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@H]3c4ccccc4N(C)[C@@H]3C2=O)CC1 58661031 ZQYCWXVKNCHKFC-RTFZILSDSA-N 449.555 2.317 0 1 IEAF N[C@@H](CC(=O)N1CCN(C(=O)c2cc(Cl)ccn2)CC1)Cc1cc(F)c(F)cc1F 84712309 LYEAZYRBSQPWTL-CQSZACIVSA-N 440.853 2.397 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1)c1ccccc1 95880986 GJWKGLTUVJKWGL-KTBWBGJDSA-N 444.535 2.285 0 1 IEAF COc1c(N2C[C@@H]3C[C@@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 101017300 GVXGDRVPKYAEOK-WCQYABFASA-N 425.416 2.093 0 1 IEAF Cn1cnc(S(=O)(=O)NCCOc2cccc([C@]3(Cc4ccccc4)CCNC3)c2)c1 114259619 SMMSWRPABQHXRV-QHCPKHFHSA-N 440.569 2.251 0 1 IEAF COC(=O)c1cnc(N2CCN(c3nnc([C@H](O)c4ccccc4)c(C)c3C)C[C@H]2C)cn1 203589526 UYIXVHMWXHJLMV-IVZQSRNASA-N 448.527 2.467 0 1 IEAF O=C(O)Cn1cc(I)c(-c2nc3cc4c(cc3[nH]2)CCC(=O)N4)n1 587186166 SSJBIUIRLMONAQ-UHFFFAOYSA-N 437.197 2.000 0 1 IEAF O=C1[C@@H]2C[C@H](O)CN2C2(CN(Cc3ccccc3F)C2)C(=O)N1Cc1cccc(Cl)c1 2356289870 CCLHYOMOUGUTKZ-ICSRJNTNSA-N 443.906 2.038 0 1 IEAF CN1C[C@@H](NCc2nccn2C)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356633220 QFLGFGUYXOLPLO-LPHOPBHVSA-N 433.503 2.122 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)c([C@]2(O)CCC(=O)C[C@@H]2O)cn(O)c1=O 2356792531 JVCNJRRYBFATFY-ZSOYMLAWSA-N 445.512 2.150 0 1 IEAF CC[C@@H](N)c1ccc([C@H]2C[C@H](SC3=C(C(=O)O)N4C(=O)[C@H]([C@@H](C)O)[C@H]4[C@H]3C)CN2)cc1 40801257 GVJXPQVHOXRUHU-LBGVSTQZSA-N 445.585 2.386 0 1 IEAF Cc1ccc(C(=O)N2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(C)n3-4)CC2)cc1 40846628 BCRWRIOXTVWMGQ-UHFFFAOYSA-N 444.539 2.379 0 1 IEAF CCOCCC(=O)Nc1c2n(c(=O)n(Cc3ccsc3)c1=O)[C@H](c1ccccc1)CN2 82224501 SSFQFTSMGQAWTD-KRWDZBQOSA-N 440.525 2.500 0 1 IEAF O=S(=O)(N[C@@H]1CCN(Cc2cccc(OCCO)c2)C1)c1cccc2cccnc12 95785262 MCVFTFKBMVSRLI-LJQANCHMSA-N 427.526 2.159 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5[C@@H](O[C@@H]6OC[C@@](O)([C@@H]4O)[C@@H](O)[C@]65O)[C@@]3(C)CC[C@@]2(C)CC1 100772064 YUCYEVHMFBEBSC-HZFLJUNOSA-N 432.557 2.054 0 1 IEAF endogenous,in-man CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C 137290002 KBHPPKYRDDJVFM-OOSUBPJNSA-N 426.506 2.461 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1 195409128 MTXGZVVJWPJPOQ-CZTSOSIMSA-N 443.588 2.443 0 1 IEAF COc1cccc(NC(=O)CN(C)C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)c1 199209292 CXQXGOXASYTJFT-NRFANRHFSA-N 431.443 2.023 0 1 IEAF CN(C1CC1)S(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc4c(c3)CCNC4=O)c2)cn1 205119341 HROMQVCPMDSQOR-UHFFFAOYSA-N 449.536 2.462 0 1 IEAF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@@H]4CCCO4)ccc3C)[nH]c2n1 586945004 BAQVGSAOORHJHZ-ZDUSSCGKSA-N 430.486 2.177 0 1 IEAF COc1cc(C(=O)N2CCN(C)CC2)ccc1NC(=O)c1csc2c(O)ncnc12 653901701 FSWKGEBKYBJQAA-UHFFFAOYSA-N 427.486 2.045 0 1 IEAF Cc1cnc(N2CCN(C(=O)C3CCS(=O)(=O)CC3)[C@@H](c3ccc(F)cc3)C2)cn1 1772646588 ALBAROWOQXOADD-LJQANCHMSA-N 432.521 2.139 0 1 IEAF O=C(Cc1nc2ccccc2[nH]1)NCCc1nc(C(=O)NCc2ncccc2F)cs1 1857599993 QLUXWWIIRXEKPA-UHFFFAOYSA-N 438.488 2.385 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@H](CO)[C@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 2356485128 UEPZAGOCXMHAIE-UOIPHLHCSA-N 428.529 2.156 0 1 IEAF CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 2356716728 WDPQEYATNKJGKN-GOSISDBHSA-N 426.498 2.386 0 1 IEAF Cc1ccn(CCC(=O)N2CCC[C@@H](CCC(=O)N3CCN(c4ccccn4)CC3)C2)n1 12718453 QRPCVAMFXRGWFN-NRFANRHFSA-N 438.576 2.344 0 3 IEAF O=C1Nc2ccc(-c3cccs3)cc2C(=O)N2CC[C@H](NC(=O)N3CCOCC3)C[C@@H]12 8299974 HTOKABHLTFULRX-YJBOKZPZSA-N 440.525 2.382 0 1 IEAF biogenic CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O 13833765 JKZCALXNJCQERK-PMACEKPBSA-N 439.512 2.109 0 1 IEAF CC(=O)N[C@H](C(=O)N1CCC[C@@H]1[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O)C(C)C 14976241 SEUJXYJXXTVJLF-QYZOEREBSA-N 438.461 2.310 0 1 IEAF COc1ccc([C@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@H]32)cc1OC 18042793 KSCDSUXUJDYGRH-MSOLQXFVSA-N 425.485 2.325 0 1 IEAF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4oc(=O)oc4C)CC3)cc21 27741255 PLARREUCIWJWCL-UHFFFAOYSA-N 431.420 2.036 0 1 IEAF COc1ccccc1CC(=O)N1C[C@@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@@H](C)O 82219985 BNQCACLDAKCEET-QMMLZNLJSA-N 432.561 2.301 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@H]1C 95693603 BIFUFKYMXIZDEA-VWKPWSFCSA-N 433.549 2.145 0 1 IEAF O=C(NCCN1CCN(c2ccncc2)CC1)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3 103174373 DBFJBTVRSZKKTR-UHFFFAOYSA-N 449.580 2.264 0 1 IEAF Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)OCCC3)cc1 214189532 ZKCYPXCHRUYRLN-SQKWCZRTSA-N 434.916 2.079 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@H]1[C@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@@H]12 254113688 HPMLNBIUWWBSTD-NEMUNFNQSA-N 438.572 2.220 0 1 IEAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3[C@H](O)[C@]21C 504640318 KJPDWMMNIXDJJC-HTEHDADZSA-N 428.529 2.322 0 1 IEAF biogenic CNCCOC(=O)C=C1CC[C@@H]2[C@H]([C@H](O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@H]1C 2356456374 BEHATSBFTMUVJZ-LVQRXTKTSA-N 437.577 2.059 0 1 IEAF COC(=O)[C@H]1[C@@H](CO)[C@@H](O)c2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 2356581708 HBBWXDGEOJRBFR-PLBGURBNSA-N 446.452 2.018 0 1 IEAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@@H]1Cc1sc(=N)[nH]c1[C@H]2CC(=O)NCc1cccnc1 2356606822 GFHGJEPRRYUQDJ-KOCIQDSWSA-N 430.574 2.073 0 1 IEAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)C[C@H](O)[C@H](O)C[C@@H](CO)C1 2356791981 JEPMATUFQDEVNO-VJKHGTOPSA-N 433.589 2.375 0 1 IEAF COc1ccccc1C(=O)O[C@H]1[C@H](Cc2ccccc2)NS(=O)(=O)[C@H]2C[C@@H]3C=C[C@]12O3 36383107 WQDHCGPGIMNABS-CUDVDWHUSA-N 441.505 2.231 0 3 IEAF CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O 13528354 RSRFHMTXQRECCQ-UHFFFAOYSA-N 447.543 2.100 0 1 IEAF CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 15969288 OTKIBBDKIOYGGC-UYAOXDASSA-N 437.496 2.100 0 1 IEAF biogenic CNC(=O)C1=CC[C@]23CC[C@H]([C@@]2(OC(C)=O)CC1)[C@@](C)(/C=C/C=C(\C)C(=O)O)OC3=O 28966525 OWKSDQLDHNUPSK-YDRCMHEVSA-N 431.485 2.444 0 1 IEAF CCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C 82235828 NXZOYPRCDSZLMU-UYAOXDASSA-N 444.576 2.175 0 1 IEAF O=C1N/C(=C\c2ccc(Cl)cc2)C(=O)N1C[C@H](O)CN1CCN(c2ccccc2)CC1 84688283 MCCFYSJUNSXQJD-PLDFPGSMSA-N 440.931 2.416 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)c1ccccn1)CC31CN(C(=O)C2CC2)C1 95665775 DRACXALBOOHMBP-FQEVSTJZSA-N 446.507 2.251 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCC1 95879042 AFLQWFMVHWKXNI-VRXWPRPYSA-N 440.471 2.118 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1C(=O)c1ccccc1 100140304 OPQYYHYUBIHWMJ-RLKXLNHUSA-N 435.524 2.212 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 169367669 OLRJWQJNJDEKHM-RDNOGQQASA-N 443.979 2.309 0 1 IEAF Cc1c([C@@H](O)CN2C[C@H]3CCN(C(=O)c4ccc(C#N)cn4)C[C@@H]3C2)ccc2c1COC2=O 205489602 CLNGILJCXMENOY-STSQHVNTSA-N 446.507 2.060 0 1 IEAF CN(c1ccc(-c2csc(-c3cccnc3N3CCNC(=O)C3)n2)cc1)S(C)(=O)=O 587923988 WNDLZUHJNOHQKW-UHFFFAOYSA-N 443.554 2.204 0 1 IEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2Cc3ccccc3C[C@H]2CO)nc1 1772611004 ZQMWALMBDBGYSZ-SFHVURJKSA-N 427.530 2.156 0 1 IEAF C=CC(=O)N[C@H]1CCN(c2ccc(C(N)=O)c(Nc3ccc(N4CCCCC4)nc3)n2)C1 1857648470 AMLPUCGCCQQMBJ-KRWDZBQOSA-N 435.532 2.190 0 1 IEAF COCc1c(O)ccc(Cc2c(O)cccc2C=C[C@H](O)[C@H](C)O)c1C=C[C@H](O)[C@H](C)O 2356722075 XPBZOXVPRZUJPE-ZMMDUFCOSA-N 444.524 2.345 0 1 IEAF Cc1ccc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)[C@H](C)C(=O)N4)C[C@H]2C)cc1 15941988 PYIDKOQMTVHMHX-HZPDHXFCSA-N 442.541 2.421 0 3 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCc2ccccc2)C[C@H]1C(=O)NC[C@@H](C)O 82218375 PLBSIJJCQFWNPD-AYBZRNKSSA-N 429.542 2.100 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cc(F)ccc4Cl)nc23)N1 205049326 ROAAEOQZSHLOOP-NSIKDUERSA-N 442.842 2.284 0 1 IEAF O=C1CCC=CC[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 254096531 VMOFPJSYIJSTGA-SFTDATJTSA-N 428.529 2.288 0 1 IEAF COC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1OC 586945897 CTMVNHCYCFCVGA-CQSZACIVSA-N 445.497 2.482 0 1 IEAF O=C(c1ccc2nc(Cn3cc(-c4ccc(F)cc4)cn3)[nH]c2c1)N1CCN(CCO)CC1 587165339 RFDCLUBRHJLERH-UHFFFAOYSA-N 448.502 2.364 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(S(C)(=O)=O)cc1N1CCN(C)CC1)[C@@H](C2)C3=O 587449630 QGRLQUANIZLNLJ-FDDCHVKYSA-N 442.537 2.339 0 1 IEAF CS(=O)(=O)NCC(=O)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 618017005 SDHDZWWOUDQOSK-MAUKXSAKSA-N 428.938 2.111 0 1 IEAF CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 4436641 OXWUDOWGIXVRLO-LJQANCHMSA-N 429.542 2.376 0 3 IEAF OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)c(Cl)cc2O)[C@H](O)[C@@H](O)[C@@H]1O 38656220 NAMSMILFAIGVER-RQXATKFSSA-N 436.913 2.366 0 1 IEAF C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)[P@](=O)(O)C[C@H](CCC(=O)O)C(=O)O 96903630 MYJJEKKTMAKVKT-WFASDCNBSA-N 443.414 2.300 0 1 IEAF COC(=O)[C@@H]1C[C@@]23C(=O)N4C[C@@H](CCC5=C2[C@@H]1CC5)[C@]3(COC(C)=O)CC[C@@H](O)[C@H](C)C4 137804438 QETSACBKOAOEMQ-YYTSTUDNSA-N 445.556 2.465 0 1 IEAF CC(C)(C)C(=O)OCOC(=O)[C@@H]1/C(=C(/C/C=C/c2ccccc2)C(=O)O)O[C@@H]2CC(=O)N12 205376290 ZXZLCZGIXSRHMF-SKNFGBCXSA-N 443.452 2.476 0 1 IEAF CCc1ccccc1-n1c(C)cn2c3c(=O)n([C@@H](C(=O)OC)C(C)C)c(=O)n(C)c3nc12 473172482 WZTHYPKDVIMHHT-QGZVFWFLSA-N 437.500 2.380 0 1 IEAF COC(=O)C(=O)C[C@@]1(c2ccc(OC)c(OC)c2)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587444935 XKWIALKRXCVGOC-CMJOXMDJSA-N 426.421 2.488 0 1 IEAF Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587606269 GTQXEAPIZRVRSP-NQIIRXRSSA-N 426.450 2.120 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3cnn(Cc4ccccc4)c3Cl)N2C(=O)[C@@H]2CCCN12 963225950 WJRXQAKWUKPJTG-LNLFQRSKSA-N 436.903 2.155 0 1 IEAF COc1ncc(-c2cn3c(=O)ccnc3cn2)cc1NS(=O)(=O)c1ccc(F)cc1F 1857655844 IUKXQBPVDHHWTI-UHFFFAOYSA-N 445.407 2.239 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@H](C(=O)C[C@H]3[C@](C)(C(=O)OC)[C@@H](O)CC[C@]23C)[C@@H]1C 2356688919 QXVLIRIYIXSOMI-XWHSYWHUSA-N 435.561 2.267 0 1 IEAF COC(=O)[C@H]1CN(Cc2ccc(OC)cc2)CCS(=O)(=O)N1Cc1ccc(C)cc1 96020398 JOWAFMYLEWHMSV-OAQYLSRUSA-N 432.542 2.193 0 3 IEAF O=C([C@H](O)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 199244024 JBLKXNSBLKIYIC-QGZVFWFLSA-N 444.431 2.152 0 3 IEAF Nc1nc(N2CCN(Cc3c(Cl)cncc3Cl)CC2)nc2nc(-c3ccco3)nn12 13581816 WHALMEZLXLYARI-UHFFFAOYSA-N 446.302 2.386 0 1 IEAF COc1cc(C)c(C(=O)O[C@H]2C[C@]3(C)[C@@H]4[C@H](C=C(CO)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 14681012 NHDJKXOHRUHQHG-VAWLUIFUSA-N 432.513 2.331 0 1 IEAF endogenous,in-man COc1cccc(C(=O)Nc2ccc(N3S(=O)(=O)c4ccccc4S3(=O)=O)cc2)n1 73156753 QGFRETHVYPMTPM-UHFFFAOYSA-N 445.478 2.240 0 1 IEAF COCCn1c(=O)c(NCc2ccc(NC(C)=O)cc2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82208893 XPBDNPNLSDFLCM-HXUWFJFHSA-N 449.511 2.242 0 1 IEAF CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@@H]1C 82235330 ZQJOZFWRHHNGHR-GHTZIAJQSA-N 444.576 2.257 0 1 IEAF O=C(CCN1CCCCC1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3)nn2)O[C@@H]1CO 95906358 RXYOGPNPKOIUIU-QNWVGRARSA-N 441.576 2.236 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 100795655 BRRFCLVJGYVEQO-KBXIAJHMSA-N 429.254 2.472 0 1 IEAF O=C1N[C@]2(CC[C@H]3C[C@H]32)n2c1c1c(c(O)c2=O)C(=O)N(Cc2ccc(F)c(Cl)c2)CC1 148182695 PBCPAPYNBOUQJL-WBLQJCTDSA-N 443.862 2.371 0 1 IEAF CCN(C(C)=O)[C@@H]1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1 148346609 JLLVFFJKZGLHHJ-QGZVFWFLSA-N 440.519 2.462 0 1 IEAF Nc1c(-c2ccccc2-c2c(N)[n+](=O)c3ccccc3n2O)n(O)c2ccccc2[n+]1=O 377840976 GQQVTRASGLVQCW-UHFFFAOYSA-N 430.424 2.398 0 1 IEAF CC(C)Cn1c(N)c([C@H]2N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587756360 DFHDUXPDQATQKW-QFYYESIMSA-N 439.329 2.310 0 1 IEAF Nc1n[nH]c(C[C@@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962644206 UCQXCFVAGYRPEG-BEFAXECRSA-N 433.390 2.371 0 1 IEAF CCCCCC[C@H](O)CCCCCCC=C[C@H](O)[C@H](OC(C)=O)[C@@H](O)[C@@H](N)C(=O)O 2356660859 OOEOVXMORBPOKC-WHZJULEDSA-N 431.570 2.280 0 1 IEAF CC(=O)N1CCC2(CC1)C[C@@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 768072 LVZCVYKWYSDXDJ-AZUAARDMSA-N 429.517 2.018 0 1 IEAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3cccnc3)CC2)c(F)c1 40915528 MQMFONFHHOKTJI-IBGZPJMESA-N 437.479 2.160 0 1 IEAF CC(=O)O[C@@H]([C@H]1C[C@@H]1C(=O)[C@@H](C)OC(=O)/C=C\c1ccc(O)cc1)[C@H]1CC=CC(=O)O1 49067049 HEYOPWSFHOXZQH-QLDBWZRSSA-N 428.437 2.346 0 1 IEAF in-vitro COc1ccc(-n2c(-c3ccc(NC(C)=O)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1OC 72172316 XHMSRTLXXNFVDK-UHFFFAOYSA-N 449.467 2.066 0 1 IEAF COc1cc2nc(NCCCn3ccnc3)nc(N[C@@H]3CCCCNC3=O)c2cc1OC 82130657 QRXOBBXTLLJNRB-MRXNPFEDSA-N 439.520 2.426 0 1 IEAF NS(=O)(=O)c1ccc(N2C(=O)O/C(=C\c3ccc(O)c(Br)c3)C2=O)cc1 84616718 JRWMMEGWNGRVBK-ZSOIEALJSA-N 439.243 2.326 0 1 IEAF COc1cccc(CN(CCO)C(=O)Nc2ccc(-c3cn[nH]c3)cc2OCCO)c1 95586313 NBEZUQQBPPIHDQ-UHFFFAOYSA-N 426.473 2.483 0 1 IEAF CCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NCC(F)(F)F)[C@@H]2CO 95661708 XLHKWUMWHWDVIW-YSHGAJCASA-N 439.478 2.468 0 1 IEAF CON(C)C(=O)C(=O)N(C)c1ccc(CNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 103236752 JKQUIROPWVMPLO-UHFFFAOYSA-N 428.533 2.437 0 1 IEAF COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCNCC3)c12 117797092 LEKCAWLPDVDUQR-UHFFFAOYSA-N 446.463 2.362 0 1 IEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 253636873 WJMXEGCIFZKOOF-ZQIUZPCESA-N 449.495 2.372 0 1 IEAF COC(=O)[C@]1(CC(=O)c2ccc(OC)cc2F)NCCc2ccc(C(=O)N(C)C)cc21 962934215 WDAOEORVAUVOLI-HSZRJFAPSA-N 428.460 2.323 0 1 IEAF COc1ccc([C@H]2N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)cc1Cn1cc(C(=O)O)cn1 963466781 FKLWFVZQSZHPPO-LAUBAEHRSA-N 437.452 2.341 0 1 IEAF O=C(CN1c2nc(N3[C@H]4CC[C@H]3COC4)cc(=O)n2CC[C@H]1C(F)(F)F)c1cccnc1 1772609000 HAVYZWKCZUHDGX-ZOBUZTSGSA-N 449.433 2.030 0 1 IEAF COc1ccccc1C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1SCCCSCC(=O)O 13836439 UFVYMWZFQCQLEP-KNBXEBOLSA-N 440.583 2.414 0 1 IEAF CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1 38166912 POPFMWWJOGLOIF-ZGYDNOGKSA-N 436.520 2.499 0 1 IEAF COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCC(F)=C(F)F 40430419 KECFNHULKQPLHJ-NSHDSACASA-N 432.420 2.483 0 1 IEAF CC(C)NC(=O)CC[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(C)C 40915390 MKVDDZCMXCPYTA-GOSISDBHSA-N 425.595 2.460 0 1 IEAF CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C 82166101 VVQGQDVLJNKTAH-LAUBAEHRSA-N 444.576 2.031 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2)C[C@H]2CC[C@H]1N2C 100805808 BRRFCLVJGYVEQO-APIJFGDWSA-N 429.254 2.472 0 1 IEAF CNC(=O)Nc1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(F)ccc1O2 103235643 MIRODSZXBGGDNK-SFHVURJKSA-N 445.491 2.492 0 1 IEAF CCn1ncc(-c2nc3c(C[C@@H]4CCN(C(=O)C5CCOCC5)C4)ncnc3n2C)c1C 220259398 HQDBDXZOWDIWKU-INIZCTEOSA-N 437.548 2.373 0 1 IEAF CO[C@H]1C=C(CO)[C@H]2C1=C(COC(=O)CC(C)C)[C@H](OC)O[C@@H]2OC(=O)CC(C)C 238745261 LERLQQKAXDNEKW-VHHKXPHXSA-N 426.506 2.354 0 1 IEAF CS(=O)(=O)c1ccc(-c2nnc3ccc(-c4cccc(S(C)(=O)=O)c4)nn23)cc1 473155175 PQVGFZHRXLYRPD-UHFFFAOYSA-N 428.495 2.265 0 1 IEAF COC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)[nH]c2n1 586945003 BAQVGSAOORHJHZ-CYBMUJFWSA-N 430.486 2.177 0 1 IEAF CCOC(=O)c1cc([C@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)nn1C 962642363 YZWSNQQLFUJUCD-SCLBCKFNSA-N 427.379 2.358 0 1 IEAF CN(C)CCCNS(=O)(=O)c1ccc([C@]2(C)NCCc3c(C(=O)O)cccc32)cc1 963118306 BOIPUCMFPSCZRP-QFIPXVFZSA-N 431.558 2.024 0 1 IEAF C[C@]1(O)CCN(C(=O)N2CCOCC2)[C@@H](c2cccs2)[C@H]1NC(=O)c1ccccc1 2356515514 RJZLCJJZIAJSBP-JQVVWYNYSA-N 429.542 2.497 0 1 IEAF Cc1ccc(CN(C)C[C@H]2OCc3cnnn3CCCC(=O)N([C@H](C)CO)C[C@@H]2C)cc1 61945801 WGPDLCVCGOLGPE-MIZPHKNDSA-N 443.592 2.243 0 3 IEAF COc1cc([C@@H]2Oc3c(OC)cc(CCCOS(=O)(=O)O)cc3[C@H]2CO)ccc1O 15169044 KXNUUGLBJAAEGW-BEFAXECRSA-N 440.470 2.371 0 1 IEAF biogenic Cn1c(C(C)(C)C)nc(C(=O)NCc2ccc(F)cc2C(=O)N2CCCC2)c(O)c1=O 29047280 WAAXIFKLWWKGDC-UHFFFAOYSA-N 430.480 2.089 0 1 IEAF Cc1nnsc1/C(Br)=C(/NC(=O)c1ccccc1)C(=O)N1CCOCC1 49055583 KJCNPSPSGOHALT-YPKPFQOOSA-N 437.319 2.199 0 1 IEAF COc1c(N2CCN(CC(C)=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72113781 WOTWYVOMNZFFAP-GFCCVEGCSA-N 431.464 2.282 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C 95857578 RIHRPLOFFJCHJI-BSRJHKFKSA-N 439.556 2.236 0 1 IEAF O=C(NC1CCCCC1)[C@@H]1N[C@@H]2c3ccc(-c4cccc(F)c4)c(=O)n3C[C@@H]2[C@H]1CO 95881813 VBHCGIGHTBBWQL-KRXUUXHPSA-N 425.504 2.355 0 1 IEAF C=Cc1[nH]c([C@@H](C)NC(=O)c2ccc(=O)n(CC(=O)NCc3ccc(F)cc3)c2)nc1C 169347529 MHWMSNXWHBTTSY-OAHLLOKOSA-N 437.475 2.469 0 1 IEAF C[C@@H]1C=CC=C1C(=O)N1CCN(C(=O)NC2CCN(c3ccc(C(=O)O)cc3)CC2)CC1 169703265 LVDBZNXFTRKCRA-QGZVFWFLSA-N 438.528 2.340 0 1 IEAF O=C(c1cccc(F)c1-n1nccn1)N1CCOC[C@H]1Cc1cccc(-n2nccn2)c1 205660169 BQVDTYWMMKIXOA-GOSISDBHSA-N 433.447 2.071 0 1 IEAF COC(=O)[C@@H]1C[C@@]23C=CCN2CC[C@]2(C(=O)OC)c4ccccc4N(C(=O)OC)[C@@]12CC3 238741156 YLBUDFTWGUSIKB-ZFWPHHPHSA-N 440.496 2.410 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12Oc1ccccc1C(=O)[C@@H]2C(=O)c1ccco1 587614099 QTZAPEQOEMSYHR-AVBTWRTFSA-N 432.450 2.090 0 1 IEAF Cn1cc(S(=O)(=O)N2CCC[C@H](C(=O)n3nc4cc3Oc3ccc(F)cc3-4)C2)cn1 587875196 HLIAFAYWNZKKGD-LBPRGKRZSA-N 431.449 2.270 0 1 IEAF O=C(OCCOC(=O)[C@@H]1CCCCN1S(=O)(=O)Cc1ccccc1)c1cccnc1 1772582810 KUWLHSSIHRTCQU-IBGZPJMESA-N 432.498 2.166 0 1 IEAF O=C(Nc1cc2[nH]nc(OCC(F)F)c2c(CO)n1)N[C@@H](c1ccccc1)C1(O)CC1 1772585656 HZYZAEKZYPKUTO-KRWDZBQOSA-N 433.415 2.482 0 1 IEAF CC1(C)NC(=O)N(C[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)C1=O 1857769546 PTJNFOHRMGJLPA-NRFANRHFSA-N 436.556 2.085 0 1 IEAF COc1ccc(C(=O)N[C@@H]2CO[C@@H]3[C@H]2OC[C@H]3n2cc(COc3ccccc3)nn2)cc1 2356823464 GMWSKQGSXMOEHU-CZYKHXBRSA-N 436.468 2.003 0 1 IEAF C[C@H]1CCC[C@H](C)N1CCCNC(=O)[C@@H]1CCCN(S(=O)(=O)N2CCCCC2)C1 6894382 VHJFNQGJAJWSQF-SLFFLAALSA-N 428.643 2.198 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@]2(O3)[C@H]1C(=O)NC1CCCC1 12467313 RPHPHNVVDAHDDN-UXRROIJYSA-N 429.561 2.053 0 1 IEAF N=C(N)c1ccc(-c2csc(N(CCCC(=O)O)C3CCN(CC(=O)O)CC3)n2)cc1 13765839 OQCZUOBRJHZFIL-UHFFFAOYSA-N 445.545 2.314 0 1 IEAF COc1cc(-c2oc3cc(OC)c(OC)c(O)c3c(=O)c2OS(=O)(=O)O)ccc1O 14436906 VQSPGZFMRQWZRO-UHFFFAOYSA-N 440.382 2.079 0 1 IEAF biogenic COC(=O)Nc1ccc2c(c1)C[C@H](C(=O)N(C)[C@H](CN1CC[C@H](O)C1)c1ccccc1)O2 28529062 VMJRNRWFFHGSDM-TUNNFDKTSA-N 439.512 2.435 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@@H]2SC1 29559370 IWVLHDMJLRWKLA-DCGLDWPTSA-N 437.930 2.313 0 1 IEAF CCc1nc(C(=O)N[C@@H](COCc2ccccc2)C(=O)OCCOCCN(C)C)cs1 82074639 PUQSJFBLBDIPCP-SFHVURJKSA-N 449.573 2.142 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@H]2N1CCC 95879384 OKYNCYSHBAIWIK-YXPKMTABSA-N 439.556 2.424 0 1 IEAF O=C(NC1[C@@H]2CC3C[C@@H]1CC(O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 101584937 WOGPRQJEAZLPIH-LCXTXHMYSA-N 428.533 2.278 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(N[C@H]3CC[C@@H](CO)C3)c2c1=O 143128130 HKSFYAVQSYARIU-AEFFLSMTSA-N 435.528 2.405 0 1 IEAF O=C(c1ccc(Cl)cc1)N1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1 169310865 PQPTVVNFJSVKJN-UHFFFAOYSA-N 435.919 2.445 0 1 IEAF CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc3cc(NC(=O)C4CCC4)c(=O)oc3c2C)OC1(C)C 1857598276 KHACQEYOXRKSPL-ODULNIPZSA-N 447.484 2.091 0 1 IEAF COc1cc([C@@H]2c3cc4c(c(OC)c3[C@H](O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1O 2356465791 HCKCVXCPSCVJQG-NFBAFIMDSA-N 430.409 2.115 0 1 IEAF O=C(OC[C@@H](O)[C@H](O)CO)c1nn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12 29127484 XZPGLPVZKWFWAW-IAGOWNOFSA-N 425.268 2.262 0 1 IEAF CC(C)Oc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1 72116592 FJRMNCPUJYIBGD-FTWQHDNSSA-N 428.934 2.294 0 1 IEAF O=C(Nc1nccs1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1C(=O)C1CCCCC1 95879244 IPBQFYLEAVQVRV-SAKMYQHLSA-N 442.541 2.014 0 1 IEAF O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO 95905309 MJAFNQKPRSYMCV-GBESFXJTSA-N 447.511 2.299 0 1 IEAF CCS(=O)(=O)NCCN1CCCc2c(-c3ccc4c(c3)CCC(=O)N4C)cncc21 204995570 NIXGHBHIMPTIEW-UHFFFAOYSA-N 428.558 2.350 0 1 IEAF Cc1ccc(CNC(=N)NC(=O)c2ccc(C[C@H](N)C(=O)O)cc2)c(N2CCCCC2)c1 653846602 VCYIRXKAYSWWPF-FQEVSTJZSA-N 437.544 2.394 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NCc2noc(-c3ccccn3)n2)[C@H]1NC(C)=O 1857548241 XQNSYYCHYQDWDS-NLWGTHIKSA-N 443.504 2.083 0 1 IEAF CN1CCN(CCCn2cc(-c3ccc(Cl)c(NC(=O)c4coc(=N)[nH]4)c3)cn2)CC1 1857595551 FPYCTBSTQYPWLG-UHFFFAOYSA-N 443.939 2.494 0 1 IEAF NS(=O)(=O)c1ccc(Oc2ccc(F)c(Cl)c2)c(CN2CCN(CCO)CC2)c1 1911586834 HUVTWNBICYMJQQ-UHFFFAOYSA-N 443.928 2.029 0 1 IEAF CO[C@@H]1CC(=O)[C@H]2[C@H]3C(=C(C=CC=CC=CC(=O)O)O[C@@H]31)C(=O)O[C@@H](C)CCC[C@H]2O 2356447071 KZMINERHJZACPQ-VUCIQSSFSA-N 432.469 2.089 0 1 IEAF O=C(CN1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)N1CCCCC1 14950124 JGFOOSCAWPOWNG-IBGZPJMESA-N 449.960 2.385 0 1 IEAF NCCCC[C@H](O[P@](=O)(O)CCCCc1cccnc1)C(=O)N1CCC[C@H]1C(=O)O 26251803 WTYROLQJELVKOU-ROUUACIJSA-N 441.465 2.180 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Oc4ccccc4[C@H]3N(C)C2=O)CC1 40977288 ZZWVNTAISAHQHB-FGZHOGPDSA-N 436.512 2.214 0 1 IEAF CCCNC(=O)C[C@@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888686 NPBHNGVMTQKIGK-KVSKMBFKSA-N 432.521 2.125 0 1 IEAF CCOC(=O)Cc1nc(N2CC(c3nc4ccccc4n3C)C2)cc(-n2nc(C)nc2C)n1 143108206 KKWKXZAWTIFNLX-UHFFFAOYSA-N 446.515 2.270 0 1 IEAF CC(C)C[C@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)[C@@H](O)N[C@H](C)C(=O)O 299805768 CGITWACPUYXSBM-DJIMGWMZSA-N 430.438 2.184 0 1 IEAF CC(C)[C@@H](NC(=O)NC[C@@H](C)O)C(=O)N1CC[C@](O)(c2ccc(Cl)cc2)C(C)(C)C1 299820511 HMBHNHFKXQNPGY-LDJQZATESA-N 439.984 2.491 0 1 IEAF COc1ccc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1Br 963224247 RRCAOFHMTRINJB-ZQIUZPCESA-N 431.290 2.028 0 1 IEAF CC(=O)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@H]3NC(=O)c2c(C)noc2C)cc1 2356854595 RQMIUQNIJILPMB-PSBWJHGTSA-N 429.429 2.007 0 1 IEAF COc1ccc(-c2onc(-c3ccccc3F)c2C(=O)NC[C@@H](O)CO)c(OC)c1OC 775406 NBKWSROEPXLCDL-GFCCVEGCSA-N 446.431 2.257 0 1 IEAF CCc1ccc(N2C(=O)CN(S(=O)(=O)CC)C[C@@]2(C)C(=O)NC2CCCCC2)cc1 8590711 SHQJSCDAHWTCDY-QFIPXVFZSA-N 435.590 2.455 0 1 IEAF CC(C)C[C@H](NC(=O)c1ccc2c(c1)N[C@@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27216246 RFXILZMBDGHUBF-PAFTZMEZSA-N 443.569 2.435 0 1 IEAF CC(=O)Nc1ccc(Oc2ccc(N3C[C@H](CNC(=S)NN)OC3=O)cc2F)cc1 28352772 CELVDRBSIKOERN-HNNXBMFYSA-N 433.465 2.239 0 1 IEAF O=C(N[C@H]1Cc2ccccc2N(CC(CO)CO)C1=O)c1cc2cc(Cl)ccc2[nH]1 28818315 OJDVPOOGBKNXRM-IBGZPJMESA-N 427.888 2.110 0 1 IEAF Nc1ncn(C/C=C2\OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 72173066 OTLIKQXOMBIBQL-WQRHYEAKSA-N 432.436 2.306 0 1 IEAF CCOC(=O)C1=C(COCCN)N=C(C)[C@H](C(=O)OC)[C@H]1c1cccc(-n2ccnc2)c1 79166825 NJPFIFPUZHOUBV-VQTJNVASSA-N 440.500 2.012 0 1 IEAF Cc1ccc(NC(=O)C(=O)N[C@@H](c2nc(C)c(CCO)s2)[C@@H]2CCCCN2)c(F)c1 84654325 AATINBWSCNRUAW-FUHWJXTLSA-N 434.537 2.372 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@H]2N1CC 95880110 NMZKHSXSZCCEFB-RPHTVSPISA-N 425.529 2.034 0 1 IEAF CCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 95886398 ULRKEPHJJCGVCG-XWTMOSNGSA-N 445.343 2.269 0 1 IEAF N[C@H](CCC(=O)Nc1cc(Cl)cc(S(=O)(=O)O)c1O)C(=O)NC1CCCCCC1 213871103 JBQODLLVLLMJRU-CYBMUJFWSA-N 447.941 2.177 0 1 IEAF COc1cccc(NC(=O)CN(C)C[C@@H]2NC(=O)[C@@H]3[C@@H](N2)SC[C@@H]3c2ccccc2)c1 618013359 UVLYSALCVRZCGR-ZNTQHIFFSA-N 440.569 2.084 0 1 IEAF CCN1C(=O)[C@@H](c2cc(O)n[nH]2)[C@@]2(N[C@H](C(=O)O)Cc3cc(C)c(O)cc32)c2ccccc21 963522607 FQAVVCODNNPBGI-XVWGUNQUSA-N 448.479 2.122 0 1 IEAF COc1cc(CCn2cncc(-c3cccc(S(=O)(=O)N(C)C)c3)c2=O)cc(OC)c1 1857607868 QIFCMTXMUXFGSM-UHFFFAOYSA-N 443.525 2.421 0 1 IEAF COC(=O)C1=CO[C@H](OC(C)=O)[C@@H]2[C@@H]1[C@@H]1[C@H](CC[C@]2(COC(C)=O)OC(C)=O)C1(C)C 2356615191 YGOZDGLVNDTREI-YOQUCBGHSA-N 438.473 2.126 0 1 IEAF CC=C(C)C(=O)O[C@@H]1CCN2CC[C@@H](COC(=O)C(=CC)COC(=O)CC(C)(C)O)[C@H]12 2356729443 IFOJBJYZVQYKHB-NLWGTHIKSA-N 437.533 2.152 0 1 IEAF COc1ccc(N(CC(=O)Nc2nccs2)S(=O)(=O)c2c(C)nn(C)c2C)cc1 6530788 ZBPYDJUMYJBBQZ-UHFFFAOYSA-N 435.531 2.336 0 3 IEAF CO[C@H]1O[C@H](CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)[C@@H](O)[C@H](O)[C@@H]1O 27443467 PQVXQVZSWFDDLF-MKCNHSFFSA-N 428.510 2.290 0 1 IEAF 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433.871 2.281 0 1 IEAF O=C(NC1CCCCC1)N1CCN2C(=O)[C@@H]3C[C@@H](SCc4ccco4)CN3C(=O)[C@@H]2C1 2356844523 NWBVUFRNKSZVCR-QYZOEREBSA-N 446.573 2.051 0 1 IEAF Cc1ccc(C)c(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4cccnc4)C3)CC2)c1 20215853 GGSPHQAJIFRHCP-FQEVSTJZSA-N 442.585 2.448 0 1 IEAF N=C(N)c1ccc(OCCOc2ccc(C[C@H](NC(=O)c3ccco3)C(=O)O)cc2)cc1 29558514 MEBSLWPFKRRKKE-IBGZPJMESA-N 437.452 2.447 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@H]2N1C(=O)CC1CC1 95881139 FGYSQMIMDNWJOT-PJIZGREPSA-N 439.556 2.232 0 1 IEAF COc1ccc(OC)c([C@@H]2[C@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 169687627 HYPXAQYKBNRSIJ-WOJBJXKFSA-N 425.437 2.438 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@H]2Cn2cc(-c3ccc(F)cn3)cn2)c1 210700193 QUYOMENBDKOHHU-NRFANRHFSA-N 433.447 2.472 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@@H](Oc4ccccc4)C3)n2)cn1 653681692 GLGYOBAGODVMMF-UHOSZYNNSA-N 431.500 2.151 0 1 IEAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)cc2)[C@@H]2[C@@H](N3CC[C@H](O)C3)CCC[C@@H]21 1772571742 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COc1ccccc1CN1[C@H](CO)[C@@H](c2ccccc2)C12CN(C(=O)c1cnccn1)C2 95794746 PPCPRPPAIYIPJN-FYYLOGMGSA-N 430.508 2.340 0 1 IEAF CNC(=O)C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 95886206 LCZNFVPWBVKYCJ-MGBSGCIJSA-N 446.331 2.271 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4ccc(C)cc4)C[C@H]3N2C1=O 169312371 AQFHGNZPIGAZGV-JELQSWKKSA-N 426.605 2.106 0 1 IEAF OC[C@H]1O[C@@H](c2cc(Cc3ccc(Cl)cc3)c(Cl)c3c2OCC3)[C@H](O)[C@@H](O)[C@@H]1O 206070674 OCHAHJACSYWARL-UVPIGPOJSA-N 441.307 2.034 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CC[C@@](C)(O)C4)c3F)C2)cc1 221215792 MSWOXBZMRWHRBE-FCORRRHLSA-N 443.523 2.432 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@H](O)C4)ncc3F)C2)cc1 261159177 QMGGPFWLFARECE-UCLAIMLFSA-N 429.496 2.042 0 1 IEAF CCOc1ccc2cccc(N3CCN(CCCCn4ncc(=O)n(C)c4=O)CC3)c2c1 299823337 FGJBRAWTNDYRGZ-UHFFFAOYSA-N 437.544 2.096 0 1 IEAF COc1cccc([C@H]2NCCc3c2c(C(C)C)nn3C)c1OCC(=O)NC[C@@H]1CCCO1 962921470 UANPQFQARMCUAQ-QMHKHESXSA-N 442.560 2.461 0 1 IEAF NC[C@@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1nc([C@@H](O)CO)cs1 1857618100 CPMAVYDMIYZHQD-HIFRSBDPSA-N 441.435 2.008 0 1 IEAF CC1=CC(=O)O[C@@H]1CC[C@]1(C)O[C@]2(C[C@H](C)CO2)[C@@]2(O)[C@@H]1C(=O)[C@@H]1[C@@H](C)C[C@@H](O)[C@H]1[C@H]2C 2356485484 ILGCHFGLRVXFPQ-OHDDPMJYSA-N 448.556 2.379 0 1 IEAF COc1ccc([C@@H]2[C@H](C(=O)N3CCN(C=O)CC3)CC(=O)N2c2ccc(OC)cc2)cc1 201458005 TXZRAMQSSDCJBV-FYYLOGMGSA-N 437.496 2.099 0 3 IEAF Nc1ccccc1CNC(=O)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)c1cnccn1 789973 YIIVALYMGLWKGM-KNQAVFIVSA-N 431.496 2.175 0 1 IEAF Cc1cc(C(=O)N[C@H]2CCN3C(=O)c4cc(-c5ccccc5F)ccc4NC(=O)[C@@H]23)nn1C 25176116 UNEWVXIEUSDPME-PZJWPPBQSA-N 447.470 2.500 0 1 IEAF biogenic C[C@H]1CN(C(=O)c2cnc3ccccc3n2)CCN1S(=O)(=O)c1c[nH]c2ncccc12 28826912 ANOLRYSIPZVGCW-AWEZNQCLSA-N 436.497 2.041 0 1 IEAF NCCCNC(=O)c1cncc(-c2cnc(Nc3cc(N4CCOCC4)ccn3)s2)c1 34840925 GXTGMRQGYJPOSN-UHFFFAOYSA-N 439.545 2.259 0 1 IEAF FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)nc(N2C[C@@H]3CC[C@H](C2)O3)n1 49068537 VTWMWRJHQXVFGY-OKILXGFUSA-N 443.458 2.352 0 1 IEAF O=C(C[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2F)[C@H](CO)O1)NCc1ccccn1 95677164 UBYVOLAQIVZNTP-AYBZRNKSSA-N 434.443 2.096 0 1 IEAF CN(C(=O)c1c(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)cnn1C)C1CC1 169701855 OHMXTNVLENAKIA-UHFFFAOYSA-N 433.476 2.108 0 1 IEAF CC(=O)C(C(C)=O)c1ccccc1-c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 586882538 XJYZFOYMQOHXMJ-UHFFFAOYSA-N 448.523 2.242 0 1 IEAF O=C(c1ccc2nc(-c3ncoc3CCC(F)(F)F)[nH]c2c1)N1CCN(CCO)CC1 587093258 ZEMVHFDJIVVTLE-UHFFFAOYSA-N 437.422 2.463 0 1 IEAF COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1[C@H](COc1cc(F)cc(F)c1)N=O 587945387 NZWHPVNKVKRHBU-CQSZACIVSA-N 428.344 2.382 0 1 IEAF CC(C)CCNC(=O)C1CCN([C@@H]2NC(=O)[C@@H]3SC[C@H](c4ccccc4F)[C@@H]3N2)CC1 618016577 DYJMHOKMGDRLMA-JWRIFHQMSA-N 448.608 2.271 0 1 IEAF O=C(NCC(F)(F)F)C1CN(C[C@H]2CC[C@H](c3nnn4cnc5[nH]ccc5c34)CC2)C1 1772657588 VETMXXVNACKPAI-JOCQHMNTSA-N 435.454 2.490 0 1 IEAF COC(=O)[C@@]1(Cc2ccc(O)c(C[C@H](O)C(C)(C)O)c2)OC(=O)C(O)=C1c1ccccc1 2356808405 YTHUMKQTFJDAHM-UUOWRZLLSA-N 442.464 2.047 0 1 IEAF CC(=O)c1ccc(NC(=O)COc2ccc(-c3cc4c([nH]3)c(=O)n(C)c(=O)n4C)cc2)cc1 13678775 XGWSSATXJAYXNU-UHFFFAOYSA-N 446.463 2.452 0 1 IEAF CCOC(=O)CN1c2nc(-c3ccccc3)c(-c3ccccc3)nc2C(N)=NS1(=O)=O 29404492 NXFJXDYMKCVACM-UHFFFAOYSA-N 437.481 2.144 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3[C@@H](OC)[C@@H](CO)[C@@H]2CO)OCO4)cc(OC)c1OC 38732069 HFJUEMBDVJWNHU-RZTYQLBFSA-N 432.469 2.491 0 1 IEAF Cc1ccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 95810220 XSAFYGBYABXFOO-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF CNC(=O)CN(C(=O)Cc1ccc(-n2cccn2)cc1)C1CCN(c2ccccn2)CC1 584905575 YEXLLXYWKQMRML-UHFFFAOYSA-N 432.528 2.053 0 1 IEAF in-vitro COCCOc1cc(C)c2c(c1C)[C@H](O)[C@H]([C@H](C)C(=O)NCCN1CCOCC1)CC2 20504604 LIPCBPKWLLGVCB-KPDCDPCYSA-N 434.577 2.009 0 1 IEAF biogenic O=C(Nc1c2n(c(=O)n(Cc3ccncc3)c1=O)[C@@H](c1ccccc1)CN2)c1ccco1 82210571 PADFZPDSFDJTSH-QGZVFWFLSA-N 429.436 2.314 0 1 IEAF CCC(=O)N1C[C@@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C 95688236 ANPLQDSRLDYPOL-GQIGUUNPSA-N 449.548 2.014 0 1 IEAF CCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)c2cc(Cl)cc(Cl)c2)O1 95886394 ULRKEPHJJCGVCG-MLHJIOFPSA-N 445.343 2.269 0 1 IEAF O=C(O)C[C@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 95900570 FNDPGVQZUOXHHT-CKJDJMSUSA-N 427.409 2.137 0 1 IEAF CC(C)n1ncnc1-c1nc2c(s1)CCOc1cc(C3CN(C[C@H](O)CO)C3)ccc1-2 96269656 KHRLMIWRORQPPP-INIZCTEOSA-N 441.557 2.337 0 1 IEAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNC(=O)C4)cn3)nc2n1C1CCCC1 117724025 YWCYLMFZLUINKJ-UHFFFAOYSA-N 448.531 2.323 0 1 IEAF C[C@H]1COCCN1c1nc(N2CCOCC2)nc2[nH]c(-c3cc(CO)ccc3Cl)nc12 144004633 JVNUUIKGGAZSOR-ZDUSSCGKSA-N 444.923 2.227 0 1 IEAF O=C(Nc1cc(Cn2c(=O)nc(O)c3ccccc32)cnc1F)[C@H]1CCN(CC2CC2)C1 1772590539 LZMKLHYIPIJTRL-INIZCTEOSA-N 437.475 2.355 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1OC(C)=O 2356477716 FPGSRCHTAOFUND-DJJZHVJBSA-N 442.420 2.326 0 1 IEAF O=C1CN(S(=O)(=O)c2cc3ncccc3s2)CCN1Cc1cc2cnccc2[nH]1 13493291 YIQKAPCYLQPOKQ-UHFFFAOYSA-N 427.511 2.206 0 1 IEAF COc1ccc2c3c1O[C@H]1[C@H](O)[C@](CO)([C@H](O)c4ccccc4)C[C@H]4[C@@H](C2)N(C)CC[C@@]341 72134986 ATVJSDVKUHGXDR-GRYPSJKZSA-N 437.536 2.047 0 1 IEAF CCCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1-c1nc(CC(C)C)cc(=O)[nH]1 95578155 KNEZWYJEEGNXCZ-UHFFFAOYSA-N 448.589 2.360 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C 95860770 NQYPTHXHXGOLGT-WHSLLNHNSA-N 426.517 2.116 0 1 IEAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 95886627 YDYIXAVQNXARTB-AFXVXQJMSA-N 443.519 2.037 0 1 IEAF CC(C)c1cn(CC[C@@H]2CC[C@H](NS(=O)(=O)c3ccc(Cl)cc3)[C@@H](CO)O2)nn1 95906156 MMFQGAJZTXOTSF-VDZJLULYSA-N 442.969 2.332 0 1 IEAF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2C(=O)c3ccoc3C[C@@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O 136198933 ILAYPXILRXPIAE-DUUAAAOISA-N 432.469 2.254 0 1 IEAF CCC[C@@]1(C(=O)OCC)N[C@H](c2cc(OC)c(OC)c(OC)c2)[C@@H]2C(=O)N(CC)C(=O)[C@@H]21 169341163 PWHHLLSJOAWOAM-YTSMVRMISA-N 448.516 2.080 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@H]1[C@@H]1C(=O)N(OCCCN3CCN(c4ccccc4)CC3)C(=O)[C@H]12 253666415 JXBYZKQDZBIQDJ-BVMUCEKZSA-N 439.556 2.367 0 1 IEAF C[C@]1(c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)Cc2ccc(F)cc2C(=O)O1 587175614 ZWSMSMYKWMXZKE-OAQYLSRUSA-N 445.472 2.351 0 1 IEAF COc1ccc([C@@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 587937902 RAJAYYDMWGESSK-XOBRGWDASA-N 431.514 2.430 0 1 IEAF COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)[C@H]1[C@@H](C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O 1772640781 ZEZJMOLCGJZADV-CMLPJURMSA-N 430.453 2.472 0 1 IEAF CC[C@@H]1Cc2cc(OCCN3CCOCC3)c(OC)cc2-c2cc(=O)c(C(=O)O)cn21 1857656518 AUHUKQYWQXJXLR-MRXNPFEDSA-N 428.485 2.440 0 1 IEAF CC(=O)N1CCC(NC[C@@H]2O[C@@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@@H]2O)CC1 2356287027 BWHWAHWCJRIRND-GIWBLDEGSA-N 429.517 2.099 0 1 IEAF O=C(CCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccn2)CC1 3785226 AHAMWNMLBCJHPT-UHFFFAOYSA-N 432.484 2.307 0 1 IEAF OC[C@@H]1COc2c(cc(Cl)cc2N2CCN([C@@H]3Cc4cc(F)ccc4[C@H]3O)CC2)O1 13471817 BMMPTUKROUHRLS-HGHGUNKESA-N 434.895 2.392 0 1 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]3CC[C@@]4(OCO[C@]45COCO5)[C@@]3(C)CC(=O)[C@@H]21 13781915 VCEDGOPEEROYHX-MLIQDZOPSA-N 436.501 2.374 0 1 IEAF CC(C)N(C(=O)CCNC(=O)C1=NO[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C1)C(C)C 35902127 MCEPSUNNZLCDNS-LLVKDONJSA-N 435.365 2.139 0 1 IEAF O=c1c(O)c(-c2nnc(Cc3ccc(F)cc3)s2)nc2ccc(N3CCOCC3)cn12 64539991 QYEQAZMKUAVAQT-UHFFFAOYSA-N 439.472 2.485 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@H](C)NC[C@@H]1C 95668589 BIFUFKYMXIZDEA-QYWGDWMGSA-N 433.549 2.145 0 1 IEAF Cc1cn([C@H]2C[C@H](n3nncc3-c3ccc(-c4ccccc4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 103283823 HVDYDBXFTZHDIB-KSEOMHKRSA-N 445.479 2.292 0 1 IEAF Cc1nc(-c2ccc([C@@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)no1 113091436 OJFBBODEMJKCGV-FQEVSTJZSA-N 447.474 2.491 0 1 IEAF CNc1nc(Nc2cc(OC)c(C(=O)N3CCO[C@@H](CO)C3)cc2Cl)ncc1Cl 147710247 LCPONAFMFFKFQE-SNVBAGLBSA-N 442.303 2.411 0 1 IEAF CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)NS(C)(=O)=O 169321447 GKEJWDHCZLVWKT-ZYONDNFOSA-N 429.579 2.242 0 1 IEAF COc1ccccc1N1CCN(C[C@H]2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 299837584 RPHOENXERNUVOJ-INIZCTEOSA-N 443.466 2.114 0 1 IEAF CC(C)Oc1cc2c(cc1NC(=O)c1ccccc1OCC(=O)N(C)C)n(C)c(=O)n2C 653827659 CORMJXWKSDORGY-UHFFFAOYSA-N 440.500 2.384 0 1 IEAF N=c1[nH]c(C(=O)Nc2cc(-c3cnn(C4CCN(CCO)CC4)c3)ccc2Cl)co1 1857608285 KSLAOFXDROLDFV-UHFFFAOYSA-N 430.896 2.486 0 1 IEAF Cc1ccc(CNC(=O)[C@H](NC(=O)C2CCN(C(=O)[C@H](N)CC(C)C)CC2)C(C)C)cc1 15958287 YWWGOYDNOAIZDC-FGZHOGPDSA-N 444.620 2.364 0 1 IEAF biogenic O=C(c1nc(CS(=O)(=O)c2ccccc2)no1)N1CCN(c2ccc(F)cc2)CC1 21649366 PYHRIBQGVDBWBE-UHFFFAOYSA-N 430.461 2.145 0 1 IEAF N[C@H]1C=CC[C@H]2CN(c3nc4c(cc3F)c(=O)c(C(=O)O)cn4-c3nccs3)C[C@@H]12 27629283 OZOADGWLMUOSBZ-NVBFEUDRSA-N 427.461 2.019 0 1 IEAF CC(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)C1 28137421 IOSOHDPFAYTRIG-UHFFFAOYSA-N 425.448 2.218 0 1 IEAF CC1=NN(C)C(=O)[C@H](NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)c2ccccc21 28899737 KZFAJIUORWGIKB-RNODOKPDSA-N 428.439 2.066 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@H]2SC1 29559381 IWVLHDMJLRWKLA-OGHNNQOOSA-N 437.930 2.313 0 1 IEAF O=C(O)c1cn2c3c(c(N4C[C@H](CNC5CC5)[C@@H](F)C4)c(F)cc3c1=O)OC[C@@H]2CF 34376343 CZYDTCXZKQGPJZ-PKWAYOAASA-N 437.418 2.268 0 1 IEAF COc1cc2nc(N3CCC[C@H](CO)C3)nc(NCCCN3CCCC3=O)c2cc1OC 82131362 PODPIKXVQPYSIJ-INIZCTEOSA-N 443.548 2.280 0 1 IEAF Cc1nc(-n2cnn(Cc3ccc(F)cc3)c2=O)sc1C(=O)NCc1nccs1 113375535 IQRZOMPLJJMCHC-UHFFFAOYSA-N 430.490 2.373 0 1 IEAF Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl 146775432 KQZSNWSGGOQJAF-UHFFFAOYSA-N 436.965 2.483 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3[C@H](c4ccccc4N3C)N(C)C2=O)CC1 169290406 VYVHLZRIUNDLHU-GOTSBHOMSA-N 449.555 2.271 0 1 IEAF C[C@@H]1CC[C@@H](Oc2cc(C(=O)N(C)C)ccn2)CN1C(=O)c1ccccc1-n1nccn1 299852401 RGMSPAFXQHLMAA-SJLPKXTDSA-N 434.500 2.436 0 1 IEAF C=CC(=O)N[C@@H]1CN(c2nc(Nc3cn(C)nc3C)c3ncn(C(C)C)c3n2)C[C@H]1F 473134337 HLSFKKBVOPHVAO-UKRRQHHQSA-N 427.488 2.022 0 1 IEAF COc1ccc(-c2onc(-c3ccc(F)cc3)c2C(=O)NC[C@H](O)CO)c(OC)c1OC 773819 LKRFDHLJJCOJRY-AWEZNQCLSA-N 446.431 2.257 0 1 IEAF COc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC 12466134 ALWWKNUGHAHFPQ-IOUIBGKWSA-N 448.519 2.345 0 1 IEAF COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)c4cnccn4)C[C@@H]2C(=O)N3)cc1 25208000 SWIUYDHDLUEBNG-OAQYLSRUSA-N 443.463 2.071 0 1 IEAF biogenic O=C(O)CN1C(=O)[C@@H](N[C@@H](CSCCc2ccccc2)C(=O)O)CCc2ccccc21 29339015 DHQXBKIHWXJRQL-OALUTQOASA-N 442.537 2.438 0 1 IEAF O=C(NCc1ccc(F)cc1)[C@H]1C[C@H]2C(=O)N3CCC[C@H]3C(=O)N2[C@H]1c1ccc(O)cc1 36376856 UAGRCUBXCLLEBX-TUFLPTIASA-N 437.471 2.111 0 1 IEAF CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(C)CC2)o1 40422292 GBSOVKNZBBTVEZ-UHFFFAOYSA-N 437.552 2.146 0 1 IEAF CCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1 45259083 YQIGPSHQXOMOQQ-CYBMUJFWSA-N 448.453 2.396 0 1 IEAF CC(C)C[C@H](C(N)=O)N(CCCCN1CCOCC1)S(=O)(=O)c1ccc(Cl)cc1 95554339 JWFOOZPONCCWHG-LJQANCHMSA-N 446.013 2.343 0 1 IEAF CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C 95688317 CBUFPLKBNRJCSB-LZJOCLMNSA-N 435.565 2.488 0 1 IEAF Cc1cc(N)nc(C)c1CNC(=O)c1cn(Cc2ccc(Cn3nccc3C)cc2)nn1 114079380 IFSHKFMSDUJWRO-UHFFFAOYSA-N 430.516 2.404 0 1 IEAF CNC(=O)CCNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1 168499652 NOWNMNSNCSYAOV-CYGHRXIMSA-N 446.345 2.468 0 1 IEAF C[C@H](O)C(=O)Nc1nnc(CCCCc2nnc(NC(=O)Cc3ccccc3)s2)s1 169698213 BSINHCGMDPPLSL-LBPRGKRZSA-N 446.558 2.456 0 1 IEAF CN1CCN(CC(=O)Nc2ccc([C@@H]3CN=C4c5ccccc5NC(=O)N4C3)cc2)CC1 216180598 OPNRJVWOULCKGS-GOSISDBHSA-N 432.528 2.264 0 1 IEAF Cn1c(=O)c2c(ncn2CCCCCN2CCN(c3cccc(Cl)c3)CC2)n(C)c1=O 299820057 FHWXXHHMECFVGR-UHFFFAOYSA-N 444.967 2.080 0 1 IEAF O=C(c1ccc2[nH]c(-c3cccc(OCC(F)F)n3)nc2c1)N1CCN(CCO)CC1 587128482 AYPZVMLWGISICS-UHFFFAOYSA-N 431.443 2.019 0 1 IEAF CN1C(=O)C[C@@H]2CN[C@](c3ccc(N4CCNCC4)nc3)(C(F)(F)F)c3cccc1c32 963022258 IJDFULMVACHKID-SZNDQCEHSA-N 431.462 2.350 0 1 IEAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O)c1ccc2c(c1)OCO2 2356471437 PHYWOKBIYYHKLF-ZJBJCVSYSA-N 437.452 2.346 0 1 IEAF Cc1nc(-c2ccc(N(C)C)cc2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNS(C)(=O)=O)n1 2356811280 BMOBXFGWRSVRJU-DFQSSKMNSA-N 429.590 2.245 0 1 IEAF Cc1ccc(F)c(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)Cc2cc(F)ccc2F)c1 61897964 DTQFOHAQCCGXSS-FQEVSTJZSA-N 440.443 2.451 0 3 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O 40937900 OIRIAMGQIQWDIM-UIZIODFASA-N 442.604 2.040 0 1 IEAF COc1cc([C@@H]2[C@H](O)N(C)C(=O)[C@]23CCCN3)c(Br)cc1Br 85647937 ZNKJMNWJZBGNNZ-IPYPFGDCSA-N 434.128 2.216 0 1 IEAF biogenic CCC(=O)N1CC2(C1)[C@H](c1ccc(-c3ccc(C)cc3)cc1)[C@H](CO)N2S(C)(=O)=O 95666840 SPTZYPWXDJFIRG-RBBKRZOGSA-N 428.554 2.373 0 1 IEAF CCCc1cn(CC[C@@H]2CC[C@@H](NS(=O)(=O)c3ccccc3Cl)[C@@H](CO)O2)nn1 95675927 PYJMYSQFCOCJMQ-CGTJXYLNSA-N 442.969 2.161 0 1 IEAF Cc1cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)[C@@H]2CC[C@H](CC(=O)O)O[C@H]2CO3)no1 95889302 TWAPEWVDHQLIDV-QBIMZIAESA-N 429.429 2.091 0 1 IEAF CCC[C@H](OC(=O)CO[N+](=O)[O-])C1=CC(=C(Br)Br)OC1=O 103231557 MELUVIHVOVOFLA-ZETCQYMHSA-N 429.017 2.349 0 1 IEAF COCCOc1nn(C)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1772623465 AFZZAPRHJGPRBA-UHFFFAOYSA-N 432.289 2.496 0 1 IEAF COc1cc(O)c2c(c1Br)C=CC[C@H](O)[C@H](O)[C@@H](O)C=CC[C@H](C)OC2=O 2356720574 CXOUKSOPSSXCMZ-CNNMYCQVSA-N 443.290 2.155 0 1 IEAF CCOC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(C)c3C)CC2)cc1 9837719 MMHLGFMPEJQXPP-UHFFFAOYSA-N 448.545 2.253 0 3 IEAF Cc1c(CC(=O)O)c2cc(F)ccc2n1S(=O)(=O)c1ccc(S(C)(=O)=O)cc1 13673911 HKLGBZGYRPIFOH-UHFFFAOYSA-N 425.459 2.356 0 1 IEAF CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)nc2ccccc21 28820888 JCKCWXHGOVMLGZ-UHFFFAOYSA-N 425.514 2.366 0 1 IEAF N=C(N)NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccn2)c1F 28956106 LLNRZRRTDNFXSV-UHFFFAOYSA-N 444.845 2.151 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2ccccc2I)C[C@@H]2CC[C@@H]1N2C 169319605 AWVUKTXSKOZAJP-HJPIBITLSA-N 429.254 2.472 0 1 IEAF COC(=O)C(=O)C[C@@]1(c2[nH]c(C)c(C(=O)OC)c2C)CC(=O)c2cc(C)cc(N)c2O1 587395677 FJWFFSWPQSIDHH-JOCHJYFZSA-N 428.441 2.302 0 1 IEAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H]4[C@@H](N)[C@H]4C3)cc2F)cn1 1772605027 RYVJJDYPFVLQDV-VPTLXERWSA-N 425.489 2.110 0 1 IEAF CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 15969291 OTKIBBDKIOYGGC-QUCCMNQESA-N 437.496 2.100 0 1 IEAF biogenic COCCNC(=O)[C@@H]1CCCN(c2nnc(C)c3c(C)n(-c4ccc(OC)cc4)nc23)C1 20564534 UPBNTPFIBCLPSN-QGZVFWFLSA-N 438.532 2.420 0 1 IEAF Cc1cc(C=O)cc2c1O[P@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)OC2 34820799 XZCROKDHIICKSV-FUJBLVTHSA-N 434.341 2.153 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@@H]1C(=O)NCCO 82197347 CPLLUSSMWCURBX-UYAOXDASSA-N 443.569 2.145 0 1 IEAF COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12 85881848 QIZNWMMOECVGAP-IGAGDTHNSA-N 428.485 2.080 0 1 IEAF COc1cc2c(cc1OC)[C@]1(O)C(=O)c3ccc4c(c3O[C@H]1[C@@H](O)O2)C=CC(C)(C)O4 14721555 RLRNZCCQKAWONC-FUDKSRODSA-N 426.421 2.430 0 1 IEAF biogenic C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C2CCN(C)CC2)c[nH]1 14962747 ANTIKNNFTURTLK-MOSHPQCFSA-N 436.516 2.346 0 1 IEAF OCCN(CCO)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1 21289323 NOLLIFGERWLBPP-UHFFFAOYSA-N 447.337 2.229 0 1 IEAF COC(=O)[C@@H](C)N[P@@](=O)(OCC=C=Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26269723 QKKZHFYFOSZJAV-LNCYIUMNSA-N 445.372 2.100 0 1 IEAF CN1C[C@@](C)(COc2ccc(C(=N)N)cc2)Oc2cc(NC(=O)CCC(=O)O)ccc21 40954082 UTTIMXNRMSCOLR-QFIPXVFZSA-N 426.473 2.440 0 1 IEAF Cc1ccc(-c2nc(C(=O)N3CCC[C@H]3C(=O)NCCCN3CCN(C)CC3)co2)cc1 82073079 WWBKJRZINWKZII-NRFANRHFSA-N 439.560 2.008 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@@H](C)CO)C[C@H]1C 95855836 RIHRPLOFFJCHJI-STSQHVNTSA-N 439.556 2.236 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@H]1C 95860789 MJOLMSVGHZLLLZ-PBFPGSCMSA-N 431.455 2.407 0 1 IEAF CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2CC1CC1 95879530 LFPIRXRLTGHFSL-GUGJDKNPSA-N 425.504 2.164 0 1 IEAF O=C(c1cnccn1)N1C[C@@H]2[C@H](c3ccccc31)[C@H](CO)N2Cc1ccc2c(c1)OCO2 95893888 WLDHTPKRXXOELS-QTEQDKRBSA-N 430.464 2.195 0 1 IEAF NS(=O)(=O)Oc1ccc2c(c1)CN(C(=O)c1ccc(N3CCSCC3)cc1)CC2 103301364 UKEBPICBVUUOOF-UHFFFAOYSA-N 433.555 2.021 0 1 IEAF CC[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ncc(Cl)cn2)C1 116977889 BAOGADIPJRLJQE-MRXNPFEDSA-N 429.912 2.465 0 1 IEAF CCOc1ccc(C(=O)N2CSC[C@@H]2c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1 587040687 RCWOZTQUFXWMDS-OAHLLOKOSA-N 432.527 2.497 0 1 IEAF Cn1nc(C(=O)O)c(I)c1-c1nc2nc(C(F)(F)F)ncc2[nH]1 587179558 BLFGNUDBNRFILB-UHFFFAOYSA-N 438.107 2.075 0 1 IEAF CCOC(=O)C1=NN(c2ccc(F)cc2)C(=O)C[C@@]12N[C@H](C(=O)O)Cc1cc(F)ccc12 962918519 IHAHRKQMUIZNBG-JTSKRJEESA-N 443.406 2.115 0 1 IEAF CC1=C[C@@H]2C[C@H](C)CC[C@@H]2[C@]2(C)C(=O)[C@H](C(=O)N(C)[C@H](CO)C(=O)O)[C@H](C=C[C@H](C)O)[C@H]12 2356331454 JDXAKDFLLVKKOO-PABZJBPESA-N 447.572 2.277 0 1 IEAF CC(=O)O[C@H]([C@@H]1CC=CC(=O)O1)[C@@H]1C[C@@H]1C(=O)[C@@H](C)OC(=O)C=Cc1ccc(O)cc1 2356482072 HEYOPWSFHOXZQH-DOVAVPQMSA-N 428.437 2.346 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC 61927899 RWPAEEDSUHNNKA-OAQYLSRUSA-N 438.546 2.470 0 3 IEAF COCCCNC(=O)Cn1c(=O)n(-c2cccc(C)c2)c(=O)c2c1c1cc(C)ccc1n2C 8583812 FZXXZNBMVPGVLU-UHFFFAOYSA-N 448.523 2.414 0 1 IEAF COc1ccc2c(c1)OC[C@@H]([C@H](O)/C=C/[C@@H]1[C@H]3C/C(=C/COCC(=O)O)C[C@@H]3C[C@H]1O)O2 29569494 SDDDJXPNYQPJCG-AGKSJYKLSA-N 446.496 2.187 0 1 IEAF COc1ccccc1-n1c(-c2ccc(C(=O)O)cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12 45300212 XLMNCLSIGDJNBQ-UHFFFAOYSA-N 431.408 2.039 0 1 IEAF CC(C)C[C@H](NC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)O)C(=O)O 66103197 GWFLQBWKXZMUCB-IRXDYDNUSA-N 437.493 2.335 0 1 IEAF CCOC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(Cc2cccs2)nn3C)C1 82196283 JUKDCIANQNXBMG-UHFFFAOYSA-N 428.514 2.142 0 1 IEAF O=C(N[C@@H]1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5)c1ccccn1 87723651 NHRWXABMYGAAGY-LUACZNRVSA-N 447.535 2.150 0 1 IEAF COc1ccc2c(c1)N(CCO)C1=C(C(=O)OC1)[C@@H]2c1cc(OC)c(OC)c(OC)c1 299829162 TZIPAQBRULNFOF-HXUWFJFHSA-N 427.453 2.476 0 1 IEAF Cc1noc(C)c1S(=O)(=O)Nc1c(N2CCC[C@@H](Cc3ccccc3)C2)c(=O)c1=O 299852196 OQWJAZVUDXSDOA-INIZCTEOSA-N 429.498 2.147 0 1 IEAF Cc1c(NS(=O)(=O)c2ccc3nc(C[C@@H](C)O)[nH]c3c2)c(=O)n(-c2ccccc2)n1C 586894082 ZDJSQBGEQIJDPV-CYBMUJFWSA-N 441.513 2.085 0 1 IEAF Cn1cc(-c2ncc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)s2)cn1 587022084 UCXQAEZTGRFLGP-UHFFFAOYSA-N 430.515 2.108 0 1 IEAF COc1cccc(CN[C@H]2CCC[C@@H](C(=O)NCc3cc(C)on3)CC(=O)N(C)C2)c1 2356301609 BYOOEPBHXHLXKZ-MOPGFXCFSA-N 428.533 2.415 0 1 IEAF COc1cc(C)c(C(=O)OCC2=C[C@@H]3CC(C)(C)[C@H](O)[C@@H]3[C@]3(C)C[C@@H](O)[C@@]23O)c(O)c1 2356505650 LBEGSQVVWJVFHH-QUQUSCIZSA-N 432.513 2.331 0 1 IEAF O=C(NO)[C@H](CCc1ccccc1)CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1 591804 PKGPEPNOVYVNGD-GOSISDBHSA-N 435.521 2.032 0 1 IEAF CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(CCCN4CCOCC4)C[C@]34C=C[C@H]2O4)cc1 13147346 JCUAKYNOPWFLHK-WTEVXDJOSA-N 439.556 2.253 0 1 IEAF COc1ccc(CCNc2ncc(C)n(CC(=O)NCc3ccc4[nH]cnc4c3)c2=O)cc1 13818851 ONZJIEKRQSNWMY-UHFFFAOYSA-N 446.511 2.408 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@H]2CN(c3ccc(N4CCOCC4)c(F)c3)C(=O)O2)cc1 66122916 LBULDKYYFALJJD-KRWDZBQOSA-N 449.504 2.274 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95856270 HGTBFUICODGLJG-QHRIQVFBSA-N 445.520 2.375 0 1 IEAF OCC(CO)OCN1CNc2c1nc1nc(-c3ccc(-c4ccccc4)cc3)cn1c2O 101273580 FVVHPKCUCRXXJO-UHFFFAOYSA-N 433.468 2.286 0 1 IEAF C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccoc3CO)nc2n1 143292979 UZXSKOJMVDFMMY-GJZGRUSLSA-N 425.489 2.227 0 1 IEAF Cc1nc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CCCC4)C(N)=N3)c2)no1 207721818 UHUUJEBNZPATNF-SFHVURJKSA-N 435.481 2.083 0 1 IEAF COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2Cl)CCCC3)cc1 224231411 KMLXNUDXYACWAW-ZXGKGEBGSA-N 448.943 2.333 0 1 IEAF CC[C@H]1CCCCCC[C@@H](O[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](NC)[C@H]2O)[C@H](C)C(=O)NCCC1 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446.378 2.443 0 1 IEAF COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N(C)c2ccccc2)C(=O)O)cc1 13704619 HJPINCWGHNTPPE-SFHVURJKSA-N 436.468 2.298 0 1 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@@H]2[C@@H]3CC[C@@]4(OCO[C@@]45COCO5)[C@@]3(C)CC(=O)[C@H]21 27521829 VCEDGOPEEROYHX-TTXOOGFLSA-N 436.501 2.374 0 1 IEAF COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc1 40973566 XCHYRYZHEDXDMU-UHFFFAOYSA-N 431.558 2.388 0 1 IEAF O=C(O)C[C@@H](NC(=O)CCC(=O)Nc1ccc2c(c1)CNCC2)c1ccc2c(c1)OCO2 62224176 PUXOGOOLLVFISN-GOSISDBHSA-N 439.468 2.112 0 1 IEAF COCC(=O)NCCCNc1nc(NCc2ccco2)c2cc(OC)c(OC)cc2n1 82118715 ALOGVMWOBYOYSV-UHFFFAOYSA-N 429.477 2.417 0 1 IEAF O=C1CCCN1CCn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1 95553422 MZJGVMSBISATEQ-UHFFFAOYSA-N 439.483 2.304 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F 95559026 DBKSKPODNPGURY-DOXZYTNZSA-N 444.358 2.095 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@H]2N1C(=O)CC1CC1 95880323 NVBKCAMXPCIQLF-FTIBCMOBSA-N 440.471 2.118 0 1 IEAF N[C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 100771902 WJMXEGCIFZKOOF-VBQJREDUSA-N 449.495 2.372 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@@]23O)c(O)c1 257424787 GGQLLLSSCCXUBL-KKIBSSMCSA-N 432.513 2.333 0 1 IEAF endogenous,in-man COc1ccc(OC)c(C(=O)N2C[C@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)c1 299878031 IFZMBKLJAHITIY-SCWSEQNSSA-N 448.560 2.381 0 1 IEAF Nc1ccccc1[C@]1(CS(N)(=O)=O)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587606271 GTQXEAPIZRVRSP-RXVVDRJESA-N 426.450 2.120 0 1 IEAF COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@@H](C)Cc1cc(Br)c(F)cc12 587806534 JXOIOSFMHHHDMP-BYCTUJETSA-N 442.281 2.259 0 1 IEAF COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ccncn4)nn3)ccc2O)c1 653715008 WWMAEPMYGIBUEF-UHFFFAOYSA-N 445.439 2.414 0 1 IEAF C[C@](O)(CCCCCCCCCCCCC[C@@H]1O[C@H](O)[C@H](N)[C@H](O)[C@@H]1O)CCC(=O)O 2356448106 OWCIHWWFLRMJBF-OESRZTOOSA-N 447.613 2.440 0 1 IEAF CC(=O)O[C@@H]1C[C@H](C)[C@@]23CC(=O)O[C@@H](C2)[C@](C)(O)[C@@](C)(COC(=O)c2ccccc2)[C@]13O 2356612193 WVABBPGSYIRNDV-MRKLQDAJSA-N 446.496 2.009 0 1 IEAF COC(=O)c1ccccc1NC(=O)N1CCC[C@@H](O)[C@@H](NC(=O)c2ccc(OC)cc2)C1 2356811463 BOWOYKXDVIXPLS-VQTJNVASSA-N 441.484 2.269 0 1 IEAF Cc1noc(C)c1C(=O)N1CC[C@]1(C)C(=O)NS(=O)(=O)c1ccccc1C(F)(F)F 61905172 BUBIUQMXRBLELR-QGZVFWFLSA-N 445.419 2.420 0 3 IEAF CO[C@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C\[C@@H]1C 7998183 KBHPPKYRDDJVFM-MMGMCNPUSA-N 426.506 2.461 0 1 IEAF COCCNC(=O)[C@@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O 8235484 GSETZVKGSMDGJJ-JPYJTQIMSA-N 426.517 2.381 0 1 IEAF biogenic Cc1[nH]cnc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](N)C(c1ccccc1)c1ccccc1 28566484 WBGJXCKLTHZTRF-JTHBVZDNSA-N 431.540 2.485 0 1 IEAF CCCN(C)C[C@@H]1Oc2cc(-c3cncnc3)ccc2S(=O)(=O)N([C@@H](C)CO)C[C@@H]1C 95730001 VOHJMOFYJWWAOA-FIKGOQFSSA-N 448.589 2.254 0 1 IEAF O=C1N(CCCCN2CCN(c3cnccn3)CC2)C(=O)C23[C@H]4C=C[C@@H](C4)C12[C@H]1C=C[C@H]3C1 100679039 FGTBEZXHSMREKK-PHSJNSSDSA-N 445.567 2.132 0 1 IEAF COCCNc1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc(OC)c(CO)c3)nc2n1 138840628 OGUGDMDAMIXHBP-HNNXBMFYSA-N 439.516 2.476 0 1 IEAF O[C@H]1CO[C@@H](n2cnc3c(NCc4cccc(Br)c4)nc(Cl)nc32)[C@H]1O 166812865 BMUNWGDQGOJGOE-ITDIGPHOSA-N 440.685 2.105 0 1 IEAF NC(=O)n1cc(NC(=O)N2[C@H](C(=O)NCc3ncccc3F)C[C@@H]3C[C@@H]32)c2ccccc21 205051355 RIRCXRMAXVQHDU-NXXSPTCGSA-N 436.447 2.413 0 1 IEAF C/C=C1\CN(C)CC[C@@]23C(=O)C[C@@H]1[C@@H](CO)[C@@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 238750201 UEPZAGOCXMHAIE-JHHNSIFWSA-N 428.529 2.156 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccccc2)N[C@@H](c2ccccc2)[C@H](C(=O)OCC)S1(=O)=O 653779529 NMGNOOFYGRPFQH-LWYYNNOASA-N 431.510 2.350 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]2C[C@]3(CC[C@@H]2CN1C(=O)OC)N[C@H](C(=O)O)Cc1cc(F)ccc13 962917378 GHEYVVVKIVFROJ-WHEZEYBUSA-N 448.491 2.440 0 1 IEAF COC(=O)C1=C(c2cccc(OC)c2OC)C[C@@H]2CC[C@H]1N2C(=O)N1CCC(O)CC1 12480035 QQMGDROGBMQLFF-KBXCAEBGSA-N 430.501 2.444 0 3 IEAF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@H]3[C@H](F)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]21C 27435797 YMIIBGCZDYJZNN-FCZPMCQJSA-N 434.504 2.322 0 1 IEAF OC[C@H]1O[C@@H](n2cnc3c(CSc4ccc(Cl)c(Cl)c4)ncnc32)[C@H](O)[C@@H]1O 29057272 VXAOIDWOWLOKBR-DNNBLBMLSA-N 443.312 2.037 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@@H]3c4ccccc4N(C)[C@H]3C2=O)CC1 40974241 JVIAJLYNNPKZAI-DHIUTWEWSA-N 449.555 2.319 0 1 IEAF COCCNC(=O)c1ccc2c(c1)C[C@H](c1nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]1)CO2 66074292 UBJUSORRTPCGKC-KRWDZBQOSA-N 445.479 2.408 0 1 IEAF C/C=C/c1ccc([C@H]2[C@@H](CO)N(C(=O)c3cnccn3)C23CN(C(=O)C2CCC2)C3)cc1 95794365 MNLCFTZBMCNRAP-XNCLSDTESA-N 432.524 2.491 0 1 IEAF O=C(Cc1ccccc1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(Br)cc3)[C@@H]2C1 95866886 KHVUMFIUAWWNMC-BBTUJRGHSA-N 429.314 2.189 0 1 IEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(C(=O)CN(C)C)C23CN(C(=O)C2CCCC2)C3)cc1 95869221 BVXKQWVGUGNLFN-OGHJLXPPSA-N 425.573 2.339 0 1 IEAF Nc1ncc(-c2cccc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)c2)cn1 587254147 HEAJYVQOZSTLQB-UHFFFAOYSA-N 436.497 2.290 0 1 IEAF COC(=O)c1[nH]c2ccc(S(C)(=O)=O)cc2c1C(=O)c1ccc(N2CCOCC2)cc1 587651234 PAELFRFNBQYHPJ-UHFFFAOYSA-N 442.493 2.426 0 1 IEAF CC(C)Cn1c(N)c([C@H]2N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587761811 WQHSBEXOBLOQHJ-HWPZZCPQSA-N 439.329 2.310 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@@H]2C[C@@H](C(=O)O)N(Cc3ccccc3)C2)nn1 1772640600 NDBHJVWINJBXCC-ZXFANKLMSA-N 432.484 2.412 0 1 IEAF O=C1CC[C@H](N2C(=O)c3ccccc3C2=O)C(=O)N1CSC(=S)N1CCCCC1 40392823 GAONTFIHHDQVLS-HNNXBMFYSA-N 431.539 2.262 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCCc4ccccc43)N2C1=O 40420262 IPIIAWQBJWTGKF-CPNAEOBWSA-N 440.588 2.207 0 1 IEAF Nc1ccn(CC[C@]2(N)OC(=O)C(OCc3ccccc3)=C2OCc2ccccc2)c(=O)n1 72173413 PFHFMVUSVXBZTO-DEOSSOPVSA-N 448.479 2.073 0 1 IEAF O=C(NCc1ccc(F)cc1)c1cn2ccn(CCOc3ccccc3)c(=O)c2c(O)c1=O 95597917 VTBHUIINSFFNAU-UHFFFAOYSA-N 449.438 2.315 0 1 IEAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]2N1CC 95866855 YYCGQFXWQYZKOB-MPJJRAAHSA-N 425.529 2.034 0 1 IEAF CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NC4CCCC4)cc3C(=O)N2C)O1 95889100 IJEGDLNEQMJCTO-IMFGXOCKSA-N 444.532 2.267 0 1 IEAF COCCOc1ccc(C(=O)Nc2ccc(F)c([C@]3(C(F)F)COCC(N)=N3)c2)nc1 113659548 QFVHGARCQKVZOL-FQEVSTJZSA-N 438.406 2.346 0 1 IEAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c12 586890783 OXBSIPBSJDAGBH-KGLIPLIRSA-N 427.310 2.452 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc(CCC(=O)c3ccc(S(C)(=O)=O)cc3)[nH]c2c1 586926432 QBJWDBNRGLCIAK-UHFFFAOYSA-N 435.527 2.032 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3cc(Br)cnc3[nH]2)[C@H](C)O)cc1 586938705 QRSBQGAGKJJNOH-XPTSAGLGSA-N 441.307 2.129 0 1 IEAF C[C@@H]1CSC[C@@]12c1cc(O)ccc1C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc1ccccc1 963687561 OAWBDDVOKAGHNE-NRLVQOBCSA-N 426.538 2.378 0 1 IEAF COC(=O)C1=C(CN2CCOCC2)NC(c2nccs2)=N[C@]1(C)c1ccc(F)c(F)c1 1857554821 CQZWPQPZNDKQNB-OAQYLSRUSA-N 448.495 2.446 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@]23CCN4CCC[C@@]5(CC[C@@]12[C@](O)(C(=O)OC)C5)[C@@H]43 2356698667 JEKCMGKEQFMXCT-VLZGJKPMSA-N 442.512 2.214 0 1 IEAF CCOc1ccccc1NC(=O)c1nnn(CC(=O)Nc2ccc(OC)c(OC)c2)c1N 8595784 WFOVDGISVDATTF-UHFFFAOYSA-N 440.460 2.167 0 1 IEAF CC(=O)O[C@@H]1[C@H]2[C@@H](O)[C@@H](OC(=O)c3ccccc3)[C@]3(C)[C@@H](O)CC[C@@H](C)[C@@]13OC2(C)C 40390881 WAQIWFFEZIMVBD-SZZKGLNZSA-N 432.513 2.479 0 1 IEAF CS(=O)(=O)Nc1ccc(-c2cc(OCc3ccccn3)nc(N3CCOCC3)n2)cc1 66251811 FOJNDYGRAUSHJG-UHFFFAOYSA-N 441.513 2.326 0 1 IEAF CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)CCc1nc2ccccc2c(=O)[nH]1)C(=O)O 71294984 RLSJRQZUMWXZTK-INIZCTEOSA-N 446.504 2.120 0 1 IEAF CN1CCC[C@H]1COC(=O)[C@@H]1CCCN1C(=O)c1coc(-c2ccc3c(c2)OCO3)n1 82085467 QJQVUHFMXGEOLD-RDJZCZTQSA-N 427.457 2.312 0 1 IEAF CC(=O)O[C@@H]1C[C@]2(C)C=C[C@@H](O)[C@]3([C@@H]1C(C)(C)CC[C@H]3O)[C@@]2(O)CCC1=CC(=O)OC1 85542240 MJWXYHMXFFQYJC-IUCBARGOSA-N 434.529 2.037 0 1 IEAF biogenic,in-vitro CN(C)C(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95796815 OMZRRYJSGQRHIY-IMFGXOCKSA-N 429.517 2.284 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@@H]2CC[C@H]3[C@H](CN3Cc3ccccc3C(=O)O)O2)cc1 95869494 FZJMPZVISKXUKQ-YYWHXJBOSA-N 430.526 2.404 0 1 IEAF O=C(CN1CCOCC1)N1CCCCN2[C@H](C1)[C@H](c1ccc(-c3ccccc3)cc1)[C@@H]2CO 95874701 YYRMYXBGXGANGU-OBDYRVMHSA-N 449.595 2.437 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]1N2Cc1cccnc1 95880283 JWJDHTWYEUZYTC-LGKPFJOYSA-N 434.540 2.111 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1ccncc1 95880771 ULWWFOKVLVFYJP-XSEFMFLKSA-N 449.482 2.386 0 1 IEAF CCC(=O)NCCCn1c(C(C)(C)C)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O 96940402 DQMOOKJEDAFYIE-UHFFFAOYSA-N 432.496 2.232 0 1 IEAF CN(C)S(=O)(=O)C[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1 100636876 NKPFSOVHSUVOID-KDURUIRLSA-N 436.622 2.226 0 1 IEAF NC(=O)C(=O)[C@H](Cc1ccccc1)NC(=O)c1cccnc1-n1cc(-c2ccccc2)cn1 114055694 ZCXMPEGOPQBOHU-NRFANRHFSA-N 439.475 2.330 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC[C@H]4CCCO4)n3)cc2)CC1 115624316 NZDWBXMRPLVSSG-LJQANCHMSA-N 434.544 2.338 0 1 IEAF C[Si](C)(C)c1cn([C@H]2C[C@@H](C(=O)N3CCCC3)N(C(=O)OCc3ccccc3)C2)nn1 170168975 AMUXFUKEWVWFMP-OALUTQOASA-N 441.608 2.398 0 1 IEAF Cc1cnc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 586937092 QDQOYYJJXZWOLL-AWEZNQCLSA-N 442.950 2.374 0 1 IEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c(Cl)ncc(F)c4[nH]3)cc2)CC1 586956506 BZPFIRZYJDZFBC-UHFFFAOYSA-N 437.884 2.270 0 1 IEAF CC(=O)N1CCCn2c(SC[C@@]3(C)NC[C@@H]4CC(=O)N(C)c5cccc3c54)nnc21 963039596 ZBCSXZJNOMHBRV-LHSJRXKWSA-N 426.546 2.096 0 1 IEAF CNC(=O)c1cnc(Nc2ccc3c(c2)CC(=O)N3)cc1N[C@@H](c1ccccc1)[C@H](O)CO 1772615882 BDBIZNXKVNHNGQ-OFNKIYASSA-N 447.495 2.186 0 1 IEAF COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@H]2O)cc1OC 2356482836 UBVNIWSDLHAGET-QIZIZJAASA-N 426.391 2.125 0 1 IEAF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 14681116 GGQLLLSSCCXUBL-PZKRUTRESA-N 432.513 2.333 0 1 IEAF endogenous,in-man Cc1c(F)c(N2C[C@H]3C[C@@H]2CN3)nc2c1c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 27560386 WTPPNSARDCVKJY-VXGBXAGGSA-N 430.386 2.360 0 1 IEAF C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3ccc(F)cc3)c(=O)[nH]c2c1 28642059 SWNSKYBNGLYHJI-MRXNPFEDSA-N 438.503 2.481 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc4cccc(Cl)c4c3)[C@@H]2SC1 40434228 DOFARGWBIZFTGU-CLCXKQKWSA-N 431.901 2.252 0 1 IEAF O=S(=O)(c1ccccc1)c1ccc(CNS(=O)(=O)N2Cc3ccncc3C2)cc1 96283106 AJZVFDLJAUKELS-UHFFFAOYSA-N 429.523 2.265 0 1 IEAF CNc1nc(Nc2ccc(C(=O)N3CC(N4CCOCC4)C3)cc2OC)ncc1Cl 169705067 FQLFTHJUFQALPE-UHFFFAOYSA-N 432.912 2.081 0 1 IEAF C[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCNC5)c4n3)nc2)CCN1 169706789 BIOQSFYQCTXAHF-DOTOQJQBSA-N 429.532 2.451 0 1 IEAF O=C1CC[C@@]23C=CC(=O)NCCCCNCCCNC(=O)C=Cc4ccc(c2c4)O[C@@H]3C1 253979572 YIWJEBPTHXRHQF-RCZVLFRGSA-N 437.540 2.014 0 1 IEAF CN1c2ccc(-c3cncc(F)c3N3CCC4(CC3)CNC(=O)O4)cc2CS1(=O)=O 653853269 CPYTXFOZVKULHY-UHFFFAOYSA-N 432.477 2.246 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@@H](c3ccccc3OCc3ccccn3)N2C(=O)[C@@H]2CCCN12 963217244 PJBGTVFWQIMLBD-CNNODRBYSA-N 429.480 2.231 0 1 IEAF CCCCOC(=O)C1=C(C)CS[C@@H]2[C@H](NC(=O)COc3ccc(OC)cc3)C(=O)N12 1857573592 CCIXNXYBDVQGNJ-YLJYHZDGSA-N 434.514 2.091 0 1 IEAF CN(C)c1ccc(-c2nnnn2[C@@H]2CO[C@H]3[C@H]2OC[C@H]3OC(=O)Nc2ccccc2)cc1 2356834306 KARBFEKLRGWTRF-YSTOQKLRSA-N 436.472 2.362 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)C(C)(C)c2ccccc2)cc1 61907494 LYHXZCMWNWPOTJ-QFIPXVFZSA-N 430.526 2.469 0 3 IEAF COC1=C2[C@H]3Cc4ccc(OC)c(O)c4[C@@]2(CCN3C)C[C@@H](OC(C)=O)[C@@H]1OC(C)=O 14709613 ZYHWPODSLMIRCA-FAZIRXHDSA-N 431.485 2.066 0 1 IEAF biogenic COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N32)c(OC)c1 16042889 WLBWJZFOJWUJNS-HYBUGGRVSA-N 449.507 2.252 0 1 IEAF biogenic CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1[C@H](O)[C@H]3O)C(=O)C2 27305490 HTCWVBXKAAKRJK-DTTQMBTESA-N 433.570 2.153 0 1 IEAF Cc1nc2ccccc2n(CC(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccnc2)c1=O 45374555 PBFATXRYSNBSSV-NRFANRHFSA-N 441.491 2.466 0 1 IEAF O=C(NCC(F)(F)F)[C@@H]1O[C@@H]2O[C@H]1C(=O)N(Cc1ccccc1)[C@H]2Cc1ccccc1 45384357 UBWNCTKBGOQLAA-XKGFGPFHSA-N 434.414 2.429 0 1 IEAF CCCCCC[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2c(C)cccc2C1=O 82236134 NQVMOUISFABXHC-HXUWFJFHSA-N 444.576 2.177 0 1 IEAF C[C@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 95675625 KEJHSICNFQEVJK-HGWQEYRNSA-N 448.516 2.056 0 1 IEAF CC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95880778 ZHODZMRMZSRMEP-LGKPFJOYSA-N 435.524 2.038 0 1 IEAF CC1(C)C[C@H](Nc2cc(O[C@H]3C[C@H](O)[C@H](COS(N)(=O)=O)C3)ncn2)c2ccccc21 114584149 BITQWYYWTQUDIV-DACLVMHWSA-N 448.545 2.050 0 1 IEAF COC1=C(C)C(=O)O/C1=C1\O[C@@]23CCCN4[C@@H](C[C@@H](O2)[C@@H]4[C@@H]2C[C@H](C)C(=O)O2)[C@@H]3[C@H]1C 263639036 YPHURJCNLMUQQJ-LXDIQIMCSA-N 431.485 2.241 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Cl)ncnc3[nH]2)C(C)C)cc1 586933875 ZCHKFJAORAFIKB-CQSZACIVSA-N 436.925 2.318 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587221126 VFRVDYGTYOKNAS-BDAKNGLRSA-N 436.774 2.059 0 1 IEAF COC(=O)C(=O)C[C@]1(c2cc(OC)ccc2OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587441822 HTXVXLLQRNHBCJ-WAIKUNEKSA-N 426.421 2.488 0 1 IEAF O=C(O)Cc1c(CC(=O)O)c(O)n(-c2nn(COc3ccccc3F)cc2Cl)c1O 587946090 PJGUBFZNELDKFY-UHFFFAOYSA-N 439.783 2.168 0 1 IEAF COc1ccccc1CNC(=O)[C@@H]1CN2CC[C@H]1C[C@H]2Cn1cc(-c2ccccn2)nn1 2356318286 DCIGRLJGOXTKHV-YSIASYRMSA-N 432.528 2.376 0 1 IEAF COc1cc(CC[C@@H](O)CC(=O)CCc2ccc(O)c(OCNC[C@@H](C)O)c2)ccc1O 2356349439 FJOVRIHOOSOTRE-VQIMIIECSA-N 447.528 2.299 0 1 IEAF c1ccc2c([C@H](c3nnnn3-c3ccc4c(c3)OCCO4)N3CCOCC3)ccnc2c1 169303267 DSIGPRUPAWKYAM-JOCHJYFZSA-N 430.468 2.403 0 3 IEAF CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC)Oc1ccccc1 13833726 RWWIHPQCCCEIPW-FHWLQOOXSA-N 434.533 2.402 0 1 IEAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(S(=O)(=O)c3cccs3)C[C@@H]12 15709498 FXYDXQVDFAMCMG-INIZCTEOSA-N 443.506 2.476 0 1 IEAF biogenic CC(C)(CNc1ccc(Cl)c(CC(=O)NCCONC(=N)N)c1F)c1cccnc1 28956093 RMAUNYYVUZOEBQ-UHFFFAOYSA-N 436.919 2.337 0 1 IEAF CCOCCn1nc(C)c2nc(N3CCC(C(N)=O)CC3)nc(Nc3cc(C)ccn3)c21 49112979 FACLOOSIUCBIPK-UHFFFAOYSA-N 438.536 2.320 0 1 IEAF COc1cc(OC)cc(-c2nc(C(=O)N[C@@H](C(=O)N3CCNCC3)C(C)C)cs2)c1 82082342 JHNLJLMVAZXOJR-GOSISDBHSA-N 432.546 2.014 0 1 IEAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO[C@H]1CCCC[C@H]1C1CCCCC1 95552886 JLSBUFBFRHJMEC-JGQJCFNXSA-N 427.626 2.462 0 1 IEAF CCCN1C[C@@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C 95690484 ZSTCKDKDRWVGTF-WWMYMODYSA-N 435.565 2.488 0 1 IEAF C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1cccnc1)c1ccccc1 95881402 ZKFDZCUSKAAQPU-DDNPLQQISA-N 444.535 2.285 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCC)N(CCC(F)(F)F)[C@@H]21 100141567 VVNUELBJNFONCK-WRRMAMGZSA-N 427.467 2.324 0 1 IEAF COc1cccc(CO[C@H]2C[C@H](C(=O)NCCCSC)N(C(=O)c3cnccn3)C2)c1 104645812 ZXMVZCSEDGEKHM-AZUAARDMSA-N 444.557 2.154 0 1 IEAF CN1CCN(CCNC(=O)c2ccc(NC(=O)N3Cc4ccc(C#N)cc4C3)cc2)CC1 165968105 PUNSUJZEVGKWDB-UHFFFAOYSA-N 432.528 2.083 0 1 IEAF CN1CCN(c2ccc(-c3ncc4c(n3)N(CCCCN3CCOCC3)CC4)cc2)CC1 199004830 GFNQQPOAGBARDG-UHFFFAOYSA-N 436.604 2.370 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@@]5(N)CCOC5)[nH]c4c3)cc2)CC1 587248610 UYPUDGCXLNVWOI-XMMPIXPASA-N 434.544 2.137 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1c(N4CCOCC4)nc4ccc(C)cn4c1=O)[C@@H](C2)C3=O 587438900 RGOWWZVFTNSULM-KSFYIVLOSA-N 433.464 2.337 0 1 IEAF O=S(=O)(Nc1cc2c(O)nccc2cc1F)c1ccc(N2C[C@H](O)[C@H](F)C2)s1 1772650876 JOKGGIOBLBGJDN-OCCSQVGLSA-N 427.454 2.461 0 1 IEAF CC(=O)N1CCC(NC[C@@H]2O[C@@H](Cc3cc(-c4cccc(O)c4)on3)CC[C@H]2O)CC1 2356287031 BWHWAHWCJRIRND-XPNTWCBSSA-N 429.517 2.099 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H]5O[C@]6(O)CO[C@@H]7O[C@H]([C@@H]4[C@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@]2(C)CC1 2356513140 SZSZXZMZHMANSY-IBVCWLRYSA-N 446.540 2.352 0 1 IEAF COc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1 6576997 JXMTXOSQDINJBO-IBGZPJMESA-N 429.498 2.372 0 3 IEAF COc1cc(C)c(C(=O)O[C@H]2C[C@@]3(C)[C@@H]4[C@H](C=C(CO)[C@@]23O)CC(C)(C)[C@@H]4O)c(O)c1 14681008 NHDJKXOHRUHQHG-ZUJPOXBWSA-N 432.513 2.331 0 1 IEAF endogenous,in-man COc1ccc(CN2C(=O)C[C@]3(C2=O)C(=O)N(CC(=O)O)c2ccc(Cl)cc23)cc1F 14976716 GKGDSCNLTJTSRM-OAQYLSRUSA-N 446.818 2.116 0 1 IEAF CSCC[C@@H](NC(=O)[C@H](CSC(C)=O)Cc1ccccc1)C(=O)N1CCOCC1 26498783 NJBVHQPNWBTEKF-RBUKOAKNSA-N 438.615 2.222 0 1 IEAF CO[C@@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C/[C@@H]1C 34148730 KBHPPKYRDDJVFM-FWRTWHATSA-N 426.506 2.461 0 1 IEAF Cc1cnc(SCCN2CCOCC2)nc1[C@H]1CCCN(C(=O)[C@H]2CCCCN2C)C1 39406618 NNYLDKDJEDRNTK-VQTJNVASSA-N 447.649 2.400 0 1 IEAF CC[C@@]12CC(C(=O)OC)=C3Nc4cc(OC)c(OC(C)=O)cc4[C@@]34CCN(C[C@@H]3O[C@@H]31)[C@@H]24 40424181 ZWUDUCJVIQMXIN-YOQJOLSQSA-N 440.496 2.366 0 1 IEAF CN(C)Cc1cn([C@H]2C[C@@H](C(=O)N3CCCC3)N(C(=O)CCCc3ccccc3)C2)nn1 95577997 RWHQITUHAXJAQA-VXKWHMMOSA-N 438.576 2.127 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NC(=O)c2ccccc2F)[C@H](CO)O1)c1ccc2c(c1)OCO2 95908195 DNUVWNCDCIVCLB-YWMUFLPLSA-N 444.459 2.013 0 1 IEAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4=O)cn3)nc2n1C1CCCC1 117739268 VZIRLSKYZHVDKZ-UHFFFAOYSA-N 448.531 2.323 0 1 IEAF O=C1OCc2cc(CCC3[C@H]4CN(C(=O)Cc5ccc(-n6cnnn6)cc5)C[C@H]34)ccc21 206964145 YJUTZQFCPHUDLY-FGZHOGPDSA-N 429.480 2.212 0 1 IEAF C[C@@]1(c2cc(NC(=O)c3cnsn3)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1 207724059 DITHWFRPAUJPAT-KRWDZBQOSA-N 437.522 2.243 0 1 IEAF CC(C)C(=O)N1CCN(C(=O)[C@H]2CC[C@H](Cn3c(O)nc4ccccc4c3=O)CC2)CC1 299867992 ZBVPRBKZAUQQAB-IYARVYRRSA-N 440.544 2.235 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@@H]2C[C@@H](CO)N(CCc3ccccc3)C2)nn1 1772604784 FKXOJPSNJLPRGP-HZYCFNBMSA-N 432.528 2.363 0 1 IEAF CC1=C2CC(=O)OC(C)(C)C2=CC[C@@]2(C)[C@H]1C[C@@]1(C)C(=O)[C@H]3O[C@H]4OC(=O)[C@@]2(C3=O)[C@H]41 1857745944 TYFVWAUTVWPBMP-YYHBOYPISA-N 426.465 2.427 0 1 IEAF CNCCOC(=O)C=C1CC[C@@H]2[C@@H]([C@@H]1C)[C@H](O)C[C@H]1[C@@](C)(C(=O)OC)[C@@H](O)CC[C@]21C 2356456372 BEHATSBFTMUVJZ-HEXWAOBKSA-N 437.577 2.059 0 1 IEAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@@H](C(=O)O)C3)c21 9501457 RATOJEAAISSINU-GFCCVEGCSA-N 445.335 2.234 0 3 IEAF CCCCO[C@H]1C[C@@H](C(=O)NCCO)N(C(=O)c2cccnc2Oc2ccccc2)C1 4546949 MEQUWVPZEIALAJ-ICSRJNTNSA-N 427.501 2.382 0 1 IEAF O=C(O)Cn1c(=O)c2cccc(F)c2n(Cc2ccc(Br)cc2F)c1=O 13649877 IZXUQJKCVFRZBU-UHFFFAOYSA-N 425.185 2.337 0 1 IEAF CC(C)c1cccc(CN[C@H]2CS(=O)(=O)C[C@@H](Cc3ccc(O)c(CO)c3)[C@@H]2O)c1 71315990 GDDUFVNKGWWPLA-GIWBLDEGSA-N 433.570 2.114 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95853287 HGTBFUICODGLJG-NQCMUKECSA-N 445.520 2.375 0 1 IEAF CNS(=O)(=O)c1ccc(Oc2cc(O[C@@H](C)CO)cc(-c3ncc(C)c(=O)[nH]3)c2)cc1 96273786 WTKNQQYYUGWBOX-AWEZNQCLSA-N 445.497 2.205 0 1 IEAF CC(C)C1=C2[C@H]3CC[C@@H]4[C@H]5O[C@@]6(O)CO[C@H]7O[C@@H]([C@@H]4[C@@]7(O)[C@@]6(O)O5)[C@]3(C)CC[C@@]2(C)CC1 1857620344 FQOAVARCJFYMTA-BGMCZZGGSA-N 448.556 2.432 0 1 IEAF COC(=O)[C@@H]1[C@H](O)O[C@H](C)[C@@H]2CN3CC[C@@H]4C(=Nc5cc(OC)c(OC)cc54)[C@H]3C[C@H]21 2356506058 ZYGDELAAHCXOPI-NEKURBKKSA-N 430.501 2.110 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@H]2C(=O)NC[C@H](C)O)c1 786056 QXRXMVDUCZEQRF-SCWSEQNSSA-N 442.512 2.001 0 1 IEAF COC(=O)[C@H](C)N[P@@](=O)(OC/C=C\Cn1cnc2c(=O)[nH]cnc21)Oc1ccccc1 26279111 HGXRWQIKXWHVAU-PJGGZKHXSA-N 447.388 2.031 0 1 IEAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C\C(=O)NC(CO)(CO)CO 95602848 GELSJZCRONIPKR-JKAQTITCSA-N 433.589 2.068 0 1 IEAF O=C(C[C@@H]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@@H](CO)O1)NCc1ccccc1 95907032 RAPYHHSVHVGWQE-WAOWUJCRSA-N 441.484 2.152 0 1 IEAF CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N 618015811 YGGNEJYNMPDEHB-OALUTQOASA-N 438.463 2.103 0 1 IEAF Cc1ccc(S(=O)(=O)N(C)C2(C(=O)NC3[C@H]4CC5C[C@H]3CC(O)(C5)C4)CC2)cc1F 653780385 KVIJYZGOXSVWIS-FMDSYOOTSA-N 436.549 2.343 0 1 IEAF CC[C@H](C)[C@H](NC(C)=O)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)O 2356722098 YBADDKHQARQTBB-FIRPJDEBSA-N 447.576 2.222 0 1 IEAF COc1ccc(NC(=O)c2[nH]cnc2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 15952236 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C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCCc3ccccc3)N(C(=O)CC)[C@@H]21 100140324 VKDPKYOTEWZCDH-RRQQMBPBSA-N 449.551 2.141 0 1 IEAF COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@H]3c4ccccc4N(C)[C@H]3C2=O)CC1 195445119 ZQYCWXVKNCHKFC-MQNAVGNWSA-N 449.555 2.317 0 1 IEAF COc1ccccc1CC(=O)N1C[C@H](OCC2CCCCC2)C[C@H]1C(=O)NC[C@H](C)O 299874536 BNQCACLDAKCEET-WMQCIHAUSA-N 432.561 2.301 0 1 IEAF O=C1N=C2NNC(C3CCN(c4cc(C(F)(F)F)ccn4)CC3)=C2[C@H](C(F)(F)F)[C@@H]1O 1857606169 NHNOHCTXPLDSQH-JSGCOSHPSA-N 449.355 2.157 0 1 IEAF COC(=O)C=C(C)C1=N[C@H]2C[C@@]3(C(=O)N(OC)c4cc(OC)ccc43)[C@H]3C[C@H]1[C@H]2CO3 2356508540 ZDFFECACYJADGQ-FAHMKRBASA-N 426.469 2.209 0 1 IEAF C[C@@H](NC(=O)C1CCN(C(=O)[C@H](N)Cc2ccccc2)CC1)C(=O)Nc1ccc(F)cc1 15970773 CMAAKFIMDDCEPR-IIBYNOLFSA-N 440.519 2.078 0 1 IEAF biogenic CCCn1c(C)nc(C(=O)NC[C@@H](O)CN2CCN(c3cccc(C)c3C)CC2)c1C 72104827 UYDMKMOJVOCNCN-OAQYLSRUSA-N 427.593 2.440 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCC3)N(C(=O)C3CCC3)[C@@H]21 95866870 AWCOEYAYYZXJBB-UOJGFIHCSA-N 439.556 2.231 0 1 IEAF CC(C)Nc1nc(-c2ccc(S(=O)(=O)CCN(C)C)cc2)cc2ncn(C)c(=O)c12 115625067 PAEQKMWNJUNJEC-UHFFFAOYSA-N 429.546 2.151 0 1 IEAF O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(CC[C@H](O)c3cccnc3)ccc1-2 143036400 DKAOVRWVJAWHND-REWPJTCUSA-N 449.507 2.322 0 1 IEAF COC(=O)[C@@H]1[C@@H](OC(=O)c2cccc(I)c2)C[C@@H]2CC[C@@H]1N2C 169369692 JVEGXDPSJZDCKL-AJNGGQMLSA-N 429.254 2.472 0 1 IEAF CN1CCN(CC(=O)Nc2ccc([C@H]3CN=C4c5ccccc5NC(=O)N4C3)cc2)CC1 216180652 OPNRJVWOULCKGS-SFHVURJKSA-N 432.528 2.264 0 1 IEAF CC(C)S(=O)(=O)NC[C@H]1CC[C@H](NC(=O)CN2CCc3c2ccc(F)c3F)CC1 261092479 DRZHVGVGAVRTRM-SHTZXODSSA-N 429.533 2.330 0 1 IEAF O=C(CCc1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1)Nc1cccc(F)c1 587161811 FIRXDGYAQHNFAO-UHFFFAOYSA-N 439.491 2.023 0 1 IEAF CCNC(=O)Nc1cn(-c2ncccn2)c2cc(-n3cnc(C(=O)NC4CC4)c3)cnc12 653762999 YKRKUHQNUKKNJV-UHFFFAOYSA-N 431.460 2.035 0 1 IEAF COc1cc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccnc3)cc2)nc(OC)n1 1772623035 UKHGNLRNSDHQEX-UHFFFAOYSA-N 446.514 2.499 0 1 IEAF COc1ncc(-c2sc(NC(=O)CN)nc2C)cc1NS(=O)(=O)c1ccccc1 1857750441 FJCILIXGULJNLL-UHFFFAOYSA-N 433.515 2.220 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)NCCC(=O)N[C@H]3CCCc4ccccc43)ccc21 4101013 BZAFTUDRKGAWOP-NRFANRHFSA-N 441.553 2.458 0 3 IEAF COC(=O)C1(C(=O)OC)c2ccccc2N(S(=O)(=O)c2ccc(C)cc2)[C@H]1CC(C)=O 95600735 QONROEQURZJKSO-IBGZPJMESA-N 445.493 2.135 0 3 IEAF OC[C@H]1COc2c(cc(Cl)cc2N2CCN([C@@H]3Cc4cc(F)ccc4[C@H]3O)CC2)O1 13471819 BMMPTUKROUHRLS-YRISNDGFSA-N 434.895 2.392 0 1 IEAF O=C(O)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)CF 28261625 DTHNNQCAFDLUQX-MSOLQXFVSA-N 430.432 2.022 0 1 IEAF CN1CCN(c2ccc(N/C=C3\C(=O)NC(=O)c4ccc(-c5ccoc5)cc43)nn2)CC1 40421449 ICOZIEPSZZFGLW-UYRXBGFRSA-N 430.468 2.211 0 1 IEAF OC[C@H]1O[C@@H](n2ccc3c(SCc4c(F)cccc4Cl)ncnc32)[C@H](O)[C@@H]1O 40935207 XMOXTNUTUAYRMO-ATNYBXOESA-N 425.869 2.128 0 1 IEAF CS(=O)(=O)Nc1ccc(-c2cc(N3CCOCC3)nc(OCc3ccccn3)n2)cc1 66258309 SNIFFZSHDNLLQS-UHFFFAOYSA-N 441.513 2.326 0 1 IEAF COc1cc2nc(NC[C@H](O)CO)nc(NCCCN(C)c3ccccc3)c2cc1OC 82130743 QAVYHZDREMVLOF-KRWDZBQOSA-N 441.532 2.351 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]2N1Cc1ccccc1F 95880048 DQWDXUQQSLYXLX-PJIZGREPSA-N 449.482 2.386 0 1 IEAF Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCN(C4COC4)CC3)n2)n1 211017282 YENXUYDPJBMALY-UHFFFAOYSA-N 442.527 2.492 0 1 IEAF CCN(CC)S(=O)(=O)c1ccc2[nH]c(-c3cc(S(=O)(=O)NC(C)C)c[nH]3)nc2c1 586935020 DDKWZLSSBFWPHI-UHFFFAOYSA-N 439.563 2.275 0 1 IEAF COC(=O)c1ccc2nc(C[C@H](NC(=O)OCc3ccccc3)C(=O)O)[nH]c2c1OC 587203715 RWVMRDFTZFGABU-HNNXBMFYSA-N 427.413 2.280 0 1 IEAF CN(C)[C@@H](Cn1c(O)c(CC(=O)O)c(CC(=O)O)c1O)c1cccc(Br)c1 587941073 RLBVVQOBQBJRBK-AWEZNQCLSA-N 441.278 2.219 0 1 IEAF CN1C(N)=C(C(=O)NCc2ccccc2)[C@]2(c3ccccc31)c1nn(C)cc1CCN2C 963955639 QWQPVZHTBCNRLM-RUZDIDTESA-N 428.540 2.088 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@H]2C[C@@H](CO)N(CCc3ccccc3)C2)nn1 1772645722 FKXOJPSNJLPRGP-YGEFIYNQSA-N 432.528 2.363 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@@]1(O)[C@H]3OC 14952357 DARSEBUZHJPBHI-OSAZLGQLSA-N 425.485 2.407 0 1 IEAF biogenic Cc1ccc(NC(=O)CCn2c(=O)[nH]c3cc(S(=O)(=O)N4CCCC4)ccc32)cc1 21925429 NHEFERQJGQWZOM-UHFFFAOYSA-N 428.514 2.451 0 1 IEAF N[C@@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nc3ccccc3s2)C1 27642711 MSKUTUNEQWERKT-SNVBAGLBSA-N 425.445 2.370 0 1 IEAF COc1cc([C@H]2C3=C(COC3=O)N(CCO)c3cc4c(cc32)OCO4)cc(OC)c1OC 34575240 LRYQORFWXVCXMN-HXUWFJFHSA-N 441.436 2.196 0 1 IEAF CCC(CC)[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C 82235973 JJFTVTHYPWEIGH-LAUBAEHRSA-N 444.576 2.031 0 1 IEAF CCC(=O)N1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C 95680080 IKGWMINUNCFFKT-FTRWYGJKSA-N 449.548 2.014 0 1 IEAF COCC(=O)N(C)C[C@@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@@H](C)CO)C[C@H]1C 95701179 LYUORSVQLKBORB-WWMYMODYSA-N 445.560 2.364 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 95899338 GUFQTAZGDROFPH-LUFCQUEKSA-N 432.517 2.105 0 1 IEAF O=C(C[C@@H]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCO3)[C@H](CO)O1)NCc1ccccc1 95907031 RAPYHHSVHVGWQE-WFXMLNOXSA-N 441.484 2.152 0 1 IEAF CC(C)(C)c1csc(NC(=O)[C@@H]2CCCCN2C(=O)N2CCS(=O)(=O)CC2)n1 143562617 DYFROXDOAHXCTA-ZDUSSCGKSA-N 428.580 2.084 0 1 IEAF CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CCN)c5ccccc5)n4)cnc23)CC1 169701236 JZSRBPQQQVOFIL-IBGZPJMESA-N 443.559 2.440 0 1 IEAF COc1cc(N)c(I)cc1-c1nc2cccc(S(N)(=O)=O)c2[nH]1 587178628 HGKSMZAJULYSBP-UHFFFAOYSA-N 444.254 2.073 0 1 IEAF O=C(O)Cn1cc(I)c(-c2nc3cnc(Br)cc3[nH]2)n1 587185815 OHRDXICZTLGQCU-UHFFFAOYSA-N 448.018 2.273 0 1 IEAF Cn1ccnc1SCC1=C[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)C(=O)CO1 963215533 BNOVBLWWAJKNNJ-PGRDOPGGSA-N 436.493 2.038 0 1 IEAF CCOc1cccc(N2CCN(C[C@H](O)COc3ccc(CC(=O)OC)cc3)CC2)c1 1857646183 FUDURQYKPKGBHO-NRFANRHFSA-N 428.529 2.363 0 1 IEAF CN(Cc1ccccc1)C(=O)[C@@H]1C[C@H](O)[C@H](O)[C@@H]2N=C(Nc3ccc(F)cc3)S[C@H]12 2356854329 RNRHMSZTNHKFGX-JAZQRGJZSA-N 429.517 2.478 0 1 IEAF Cc1ccc(-c2nc(C[S@](=O)CC(=O)N3CCN(c4ncccn4)CC3)c(C)o2)cc1 6577686 KPMVTXOTPXOOSD-WJOKGBTCSA-N 439.541 2.346 0 3 IEAF OC[C@@H](O)[C@H](O)[C@@H](O)c1nn(-c2ccccc2)c2nc3cc(Cl)c(Cl)cc3nc12 5892601 DCNOQABWTKMHAI-JLSDUUJJSA-N 435.267 2.023 0 1 IEAF COCCOc1cc(C)c2c(c1C)[C@H](O)[C@@H]([C@@H](C)C(=O)NCCN1CCOCC1)CC2 25204792 LIPCBPKWLLGVCB-HCLVMJGWSA-N 434.577 2.009 0 1 IEAF biogenic CNc1nc(Cl)nc2c1ncn2C[C@H](COC(C)=O)COC(=O)Cc1ccccc1 27637721 KLANBQIWFUPEHK-OAHLLOKOSA-N 431.880 2.487 0 1 IEAF O=C(Cc1ccncc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95675261 WUPYLLMMUFNJPD-RBDMOPTHSA-N 439.491 2.137 0 1 IEAF O=C(C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F 95886058 FXMWNYSQGNRSJG-CUDHKJQZSA-N 449.548 2.098 0 1 IEAF CC(C)(C)[C@H]1C(=O)[C@H](C2=Nc3ccccc3S(=O)(=O)N2)C(=O)N1Cc1ccccn1 169719344 XVYLGORKWZSPMZ-SJLPKXTDSA-N 426.498 2.046 0 1 IEAF CO[C@@H](CN1CCC2(CC1)CCN(C1=CC(=O)OC1)C2=O)c1ccc2c(c1C)COC2=O 206790622 LLAIPSGODNQHHD-FQEVSTJZSA-N 440.496 2.108 0 1 IEAF OC[C@H]1C[C@@H](Nc2nc(NCC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O 207481462 GUZJGVTUQZHBJE-QVDUIBETSA-N 427.530 2.090 0 1 IEAF COc1c2c(c(OC)c3c1[C@@]1(O)c4ccccc4N[C@H]1O3)[C@@]1(O)c3ccccc3N[C@H]1O2 238745723 JZKQUOQREZSLLO-ZJZGAYNASA-N 432.432 2.464 0 1 IEAF C[C@H](NS(N)(=O)=O)c1nnc(C(=O)c2nc3ccc(-c4ccccc4)cc3s2)o1 1772625820 VSMPITHDNJHFPV-JTQLQIEISA-N 429.483 2.431 0 1 IEAF O=C1CC/C=C/C[C@@H](CC(=O)N(CCO)Cc2ccccc2)C(=O)N2CCC[C@H]2CO1 33642367 VMOFPJSYIJSTGA-KKCAFHEBSA-N 428.529 2.288 0 1 IEAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCN(CC)CC3)c21 36067278 LVXFAVARMMOHGB-UHFFFAOYSA-N 430.368 2.074 0 1 IEAF CC(C)(C)c1ccc2oc(N3CCCN(C(=O)N4CCS(=O)(=O)CC4)CC3)nc2c1 59280994 HVKRVIVEQBMKSU-UHFFFAOYSA-N 434.562 2.488 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(N[C@@H]4CCNC4)cc(Nc4cccc(Cl)c4)nc23)N1 117820734 OWPDNCRGIFXISG-IJENKCAZSA-N 438.879 2.080 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@@H](C)[C@@H](O)c2ccccc2)N(C(=O)c2cnccn2)C1 299877814 HXRHFVMLNUIDPG-RCVZYCBYSA-N 426.517 2.115 0 1 IEAF Nc1ccnc2[nH]c(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)nc12 586943633 BHBHQYOVHPSTPN-UHFFFAOYSA-N 448.936 2.151 0 1 IEAF O=C1CSc2ccc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)cc2N1 587044574 ZCUZLARTMDRSJK-UHFFFAOYSA-N 437.525 2.024 0 1 IEAF CN1C(=O)C[C@H]2CN[C@@](c3ccc(N4CCNCC4)nc3)(C(F)(F)F)c3cccc1c32 963022248 IJDFULMVACHKID-LHSJRXKWSA-N 431.462 2.350 0 1 IEAF COc1nn(CC(=O)O)c2ncnc(NS(=O)(=O)c3cccc(Cl)c3Cl)c12 1772643316 NKFFHONHDOSSTB-UHFFFAOYSA-N 432.245 2.027 0 1 IEAF CN1CCN(c2ccc(Nc3ncc4ncc(=O)n(-c5ccc(CN)cc5)c4n3)cc2)CC1 1857598660 WTVDLBBHWSZHSN-UHFFFAOYSA-N 442.527 2.130 0 1 IEAF O=C1[C@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@@]2(CNS(=O)(=O)c2ccccc2)O1 254036077 YGAKRXYRDKCSCD-IIMDRIAPSA-N 444.896 2.132 0 3 IEAF COc1cc(CC2=C[C@@H](Cc3cc(OC)c(O)c(OC)c3)C(=O)N=C2N)cc(OC)c1O 27308310 KQGXBOBAWMVMGY-OAHLLOKOSA-N 442.468 2.357 0 1 IEAF CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](CCC(=O)N(C)C)C(=O)CF 28569736 RKGZUGUTFRGBHD-MDYRTPRTSA-N 437.512 2.219 0 1 IEAF Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1N 28702844 RDHVXDAJVVCPMX-UHFFFAOYSA-N 427.534 2.033 0 1 IEAF C[C@H](Cc1coc2nc(N)cc(N)c12)c1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1 29567458 RZADSRPQWMYEEU-BDJLRTHQSA-N 440.456 2.386 0 1 IEAF CCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)sc2Cl)cc1 72119998 IXWRZJVPUCHOTL-FTWQHDNSSA-N 428.934 2.296 0 1 IEAF CCNc1nc(N2CCCN(C(=O)c3cnccn3)CC2)nc2cc(OC)c(OC)cc12 82118890 DHIRSEKNSQJEBG-UHFFFAOYSA-N 437.504 2.221 0 1 IEAF O=C(Nc1ccc(F)cc1)N[C@H]1CC[C@H](CCn2cc(C3(O)CCCC3)nn2)O[C@@H]1CO 95905312 MJAFNQKPRSYMCV-CEXWTWQISA-N 447.511 2.299 0 1 IEAF COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnco5)C4)c3C2)cc1C 113749630 RSJQIHVWJKMRJG-INIZCTEOSA-N 436.472 2.033 0 1 IEAF NC(=O)n1cc(NC(=O)N2[C@H](C(=O)NCCOC(F)(F)F)C[C@H]3C[C@H]32)c2ccccc21 210615683 AJUPLRYHLNIYIF-KMUNFCNLSA-N 439.394 2.215 0 1 IEAF Oc1nc(N2CCOCC2)nc(N[C@H]2CNCC[C@@H]2F)c1-c1nc2ccccc2s1 299819653 BAEMOWYINAFWKT-JSGCOSHPSA-N 430.509 2.407 0 1 IEAF 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COCCCN(C(C)=O)[C@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 2491659 FNDXNWAVYQPMBV-NRFANRHFSA-N 445.560 2.478 0 1 IEAF CC(C)[C@H](NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F 13516062 DVNRYIBEOOQVDY-AWEZNQCLSA-N 432.349 2.043 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4C[C@@](C)(CO)C[C@@H]4C=C(CO)[C@@]23O)c(O)c1 14681118 GGQLLLSSCCXUBL-ODOOLFAWSA-N 432.513 2.333 0 1 IEAF endogenous,in-man COc1c(N2C[C@H]3C[C@@H]2CN3)c(F)cc2c(=O)c(C(=O)O)cn(-c3ccc(O)cc3)c12 40533653 GVXGDRVPKYAEOK-DGCLKSJQSA-N 425.416 2.093 0 1 IEAF O=C(NCCN1CCC2(CC1)C(=O)NCN2c1ccccc1)[C@@H]1CCc2ccccc2C1 40897236 DITCMTHSYZAUGM-JOCHJYFZSA-N 432.568 2.336 0 1 IEAF Nn1c(CCCCN2CCN(c3nc4ccccc4cc3O)CC2)nc2c(c1=O)CCCC2 64436538 DQFJTXJCMDYWKL-UHFFFAOYSA-N 448.571 2.235 0 1 IEAF CCNc1nc(N(C)CCN(C)C(=O)c2cnccn2)nc2cc(OC)c(OC)cc12 82118160 WMTKGFHIJDZIRW-UHFFFAOYSA-N 425.493 2.077 0 1 IEAF COC(=O)C[C@H]1CC[C@@H]2[C@H](COc3ccc(NC(=O)c4cc(C)on4)cc3C(=O)N2C)O1 95892185 CXAVERPQLGMZKL-BJZITVGISA-N 443.456 2.179 0 1 IEAF COC(=O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@H](CO)O1 95903178 HFIMGBHSBJMCIP-BJKXHWDHSA-N 441.436 2.225 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3O[C@@]3(OC)COC(=O)[C@@H]23)OCO4)cc(OC)c1OC 105517541 YHXBZXBIGHSHTP-KNKQGSTJSA-N 430.409 2.481 0 1 IEAF C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21)C1CCCCC1 210882651 FPBCGEQNHZBZCI-FCNFAXOHSA-N 437.544 2.210 0 1 IEAF CCOC(=O)C[C@@]1(c2ccn(C)n2)N[C@@H](C(=O)O)Cc2cc(OC(F)(F)F)ccc21 962629898 INMGLCAYHAXLGT-RDTXWAMCSA-N 427.379 2.114 0 1 IEAF CNCCOC(=O)/C=C1\CC[C@H]2[C@@H](C(=O)[C@H](O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 1772620466 QHHKRKHHMLDIKX-VGUYIGQBSA-N 435.561 2.267 0 1 IEAF Cc1c(NC(=O)c2cc(CN[C@H](CO)C(=O)O)cn3cnnc23)cccc1-c1ccccc1 1857580791 PFDICQJWHOHPJB-OAQYLSRUSA-N 445.479 2.492 0 1 IEAF CCCCCC[C@H](O)CCCCCCC=C[C@H](O)[C@H](OC(C)=O)[C@H](O)[C@@H](N)C(=O)O 2356660856 OOEOVXMORBPOKC-AFDCHOCNSA-N 431.570 2.280 0 1 IEAF CC(=O)c1ccc2c(c1)CO[P@@](=O)(OC[C@@H]1C=C[C@H](n3cc(C)c(=O)[nH]c3=O)O1)O2 40849122 MZZOJNKVKNIXBH-RCYNOIJSSA-N 434.341 2.235 0 1 IEAF CCCCCc1nnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1 45367698 FMJSEANJXCYOSD-QSWMPLQWSA-N 442.965 2.030 0 1 IEAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](CN2CCC(=O)C2)C1 53151339 BSYJAYJSCWBHEZ-CQSZACIVSA-N 428.316 2.090 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(/C=C/c4ccccc4)cc3)[C@@H]2C1 95795205 GBNDAOCBOQNOMP-VUQQLKAISA-N 440.503 2.458 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)C2CCC2)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO 95866537 AWCOEYAYYZXJBB-WJSOHGRHSA-N 439.556 2.231 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(/C=C/c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CC1 95881212 BJJHBMJMLCEQRE-HKZIOXGVSA-N 434.492 2.092 0 1 IEAF Cc1ccc(F)c([C@@H](C)Nc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 145182869 UVZDSCQGOUIQTG-OUZNOSRWSA-N 436.451 2.500 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCc2ccccc2)C[C@H]1C(=O)N[C@H](C)CO 299887863 ZOAMONKLMYFYBX-SUMDDJOVSA-N 429.542 2.100 0 1 IEAF c1ccc(COc2ncnc3c2ncn3CCCN2CCN(c3ncccn3)CC2)cc1 61922689 VGKCWNMQLYJNNV-UHFFFAOYSA-N 430.516 2.408 0 3 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1C2C[C@@H]3C[C@H](C2)CC1(O)C3 35087347 HDLZHQFBHVJHLK-MKEBVBBPSA-N 438.494 2.278 0 1 IEAF O=C(Cc1ccccc1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(Br)cc1)[C@@H]2CO 95866884 KHVUMFIUAWWNMC-LVCYWYKZSA-N 429.314 2.189 0 1 IEAF O=C(NCCc1ccccc1)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(cccc3=O)[C@@H]2N1Cc1ccccc1 95881142 KUDYYVSWKUFVKH-RLBRRGQKSA-N 443.547 2.371 0 1 IEAF CCOC(=O)N1CCC(N2C[C@]34C=C[C@@H](O3)[C@@H](C(=O)Nc3ccc(C)cc3)[C@@H]4C2=O)CC1 101411471 SZDWVAVBKCXDIT-FIXDAVPBSA-N 439.512 2.336 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4C[C@@H]5C[C@H]4CO5)ncc3F)C2)cc1 261110763 HYXFVVLQFFMFAM-OBZTVWKBSA-N 441.507 2.448 0 1 IEAF COc1cccc2nc(CCNCCc3nc(C(=O)NCc4ncccc4F)co3)[nH]c12 1857554094 DRBGOCRNJJFVMV-UHFFFAOYSA-N 438.463 2.398 0 1 IEAF COc1cc(O)c2c(O)c3c(cc2c1)C[C@H](C[C@@H](O)C[C@@H](O)CCCCCO)OC3=O 2356416563 YHQGYEAIRQPZFF-XYJFISCASA-N 434.485 2.396 0 1 IEAF CC1=CC[C@@H]2[C@](C)(CCC(C)=C3OC(=O)[C@@H]4[C@@H]3[C@@H]1O[C@]4(C)O)OC(=O)C(=O)[C@]2(O)C(C)C 2356433967 ACYYQFZAPACISZ-IQYWATQTSA-N 448.512 2.175 0 1 IEAF CC(=O)O[C@H](CN1CCN(c2ccccn2)CC1)Cn1sc2nc(C)cc(C)c2c1=O 1659239 PEJBOYJTKDNYMR-GOSISDBHSA-N 441.557 2.224 0 1 IEAF CC[C@H]1Cn2c(c(NCc3cccc(OC(F)(F)F)c3)c(=O)n(CCOC)c2=O)N1 82207729 UFIUDPPBXUEYJN-ZDUSSCGKSA-N 428.411 2.371 0 1 IEAF Cc1ncsc1CCn1c(=O)c(NC(=O)C2CC2)c2n(c1=O)[C@@H](c1ccccc1)CN2 82210097 QZISMUNSNZLBBE-MRXNPFEDSA-N 437.525 2.381 0 1 IEAF CCOC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@]1(O)C(F)(F)F 95560196 JGPVDMQJJVPTJR-VCBZYWHSSA-N 428.359 2.395 0 1 IEAF CCS(=O)(=O)N[C@H]1C=C[C@@H](CC(=O)Nc2ccc(-c3ccccc3)cc2)O[C@@H]1CO 95676474 WANWEHJGGGHASC-PCCBWWKXSA-N 430.526 2.306 0 1 IEAF COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)C(C)=O)O3)c1 95714264 UCUKQPKVMMJLHS-XCGNWRKASA-N 441.528 2.456 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@H]1C 95856733 RIHRPLOFFJCHJI-PMAPCBKXSA-N 439.556 2.236 0 1 IEAF O=c1c(C2=NS(=O)(=O)c3cc(O)ccc3N2)c(O)c2cccnc2n1CCC1CC1 101816901 PGCJUISTGHVVMI-UHFFFAOYSA-N 426.454 2.169 0 1 IEAF COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C(C)(C)CN)cc2)CC3)cc1 146878488 OCSKOBUOPOHNMW-UHFFFAOYSA-N 433.512 2.419 0 1 IEAF Nc1ncnc2c1c(-c1cccc3c1oc1ccccc13)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 299838824 WBZFSXPQDDGNQQ-DYVMYPEFSA-N 432.436 2.191 0 1 IEAF CS(=O)(=O)N1CCC[C@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658389 OLXSBLWGWFWFGQ-KRWDZBQOSA-N 433.436 2.406 0 1 IEAF O=C(Nc1ccc2nc(N3CCNCC3)nc(O)c2c1)c1ccc(C2CCNCC2)cc1 653722836 ILCPQWWSBAQYEA-UHFFFAOYSA-N 432.528 2.464 0 1 IEAF O=C(CNc1ncnc2c1c(-c1ccccc1)cn2[C@@H]1OC[C@@H](O)[C@H]1O)Nc1ccccc1 13676928 ZALDYAINSPGVOR-MEKIYTOJSA-N 445.479 2.400 0 1 IEAF CC[C@H](C)[C@@H](NC(=O)[C@@H](Cc1ccccc1)n1c(=O)c2ccccc2n(C)c1=O)C(=O)O 15969904 HRCMHRFKYHUSDF-CWFSZBLJSA-N 437.496 2.100 0 1 IEAF biogenic CCCN1CCN(CC)C[C@H](NC(=O)c2cc(Br)c(NC)nc2OC)C1 36093091 BCEOCKZGOJADNT-ZDUSSCGKSA-N 428.375 2.040 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1[C@@H](O)[C@@H]3O)C(=O)C2 38655675 HTCWVBXKAAKRJK-VFFGQJHTSA-N 433.570 2.153 0 1 IEAF O=C1CC[C@@H](N2Cc3ccccc3C2=O)C(=O)N1CN1C(=S)c2ccccc2C1=S 72177026 XKXKXCGYZKKZOQ-QGZVFWFLSA-N 435.530 2.484 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@@H]1CN(C)CC1CCCCC1 95818393 OPQMCYKWZYLZJV-WOIUINJBSA-N 435.613 2.315 0 1 IEAF CCCNC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)Cc4ccncc4)ccc3O[C@@H]2[C@H](CO)O1 95899917 YCXJMJHOMLCSIN-PMSBSAKUSA-N 439.512 2.174 0 1 IEAF Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C(=O)O)cc2)n1 101710845 HVEIJRPFCHFENC-OMNBBPDLSA-N 428.470 2.047 0 1 IEAF C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC/C2=C/C(=O)NC(CO)(CO)CO 118921513 GELSJZCRONIPKR-JTRJNSMVSA-N 433.589 2.068 0 1 IEAF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 195450067 NWSJRKVKWADPHV-MPTQWLOMSA-N 443.916 2.496 0 1 IEAF Cn1cc(-n2ccc3c(Nc4nc(N[C@@H]5CCCC[C@@H]5N)nnc4C(N)=O)cccc32)cn1 205141641 XAJJSMHLMMKQNY-DOTOQJQBSA-N 446.519 2.073 0 1 IEAF CCC(=O)N1C[C@H](COc2nc(Nc3cnn(C)c3)nc3[nH]cc(Cl)c23)[C@@H](OC)C1 263620727 LYWNQEMCSWYHEM-RISCZKNCSA-N 433.900 2.351 0 1 IEAF in-vitro CC1=C(C(=O)OCc2ccccc2)N2C(=O)[C@@H](NC(=O)COc3ccccc3)[C@H]2SC1 15933954 RZCKJLIMXCFQQE-DENIHFKCSA-N 438.505 2.483 0 3 IEAF COC(=O)[C@H]1CN(Cc2ccc(OC)cc2)CCS(=O)(=O)N1Cc1ccc(F)cc1 263590439 FOGDUDZCDSGCOK-HXUWFJFHSA-N 436.505 2.024 0 3 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)N[C@H](C)CO)c1 4380717 WPXZETWTKRTYHQ-LKUPVBHCSA-N 442.512 2.001 0 1 IEAF COc1ccc(N2C(=O)[C@H]3C=C[C@@H](n4nc(O)n(Cc5ccccc5)c4=O)C[C@@H]3C2=O)cc1 5842548 UUVVWBZBKOWYBO-HOJAQTOUSA-N 446.463 2.114 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@@H]3c4ccccc4N(C)[C@@H]3C2=O)CC1 40411951 ZQYCWXVKNCHKFC-IMRHEYAYSA-N 449.555 2.317 0 1 IEAF C/C=C/c1ccc([C@@H]2[C@H](CO)N(CC3CCOCC3)C23CN(S(=O)(=O)CC)C3)cc1 95796570 YBAORXZWGSLBOD-WOFSGTTBSA-N 434.602 2.311 0 1 IEAF COc1ccc(OC)c([C@@H]2[C@@H](C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCC(=O)O)c1 169687625 HYPXAQYKBNRSIJ-VQTJNVASSA-N 425.437 2.438 0 1 IEAF CC(C)N(C)C(=O)COc1ccc2c(c1)CCn1c-2cc(OC[C@@H]2CCCO2)nc1=O 220052840 NSXJJZMCFZVXRR-SFHVURJKSA-N 427.501 2.270 0 1 IEAF C[C@H]1CCCCN1c1cnc(N2CCN(S(=O)(=O)c3ccc4c(c3)OCO4)CC2)cn1 1857743745 OTGCDPLKAHFQES-INIZCTEOSA-N 445.545 2.095 0 1 IEAF CCOC(=O)C1=C(CNCCO)NC(c2nccs2)=N[C@H]1c1ccc(F)cc1Cl 1857754951 LFPWBIPJFCFIIF-INIZCTEOSA-N 438.912 2.426 0 1 IEAF COc1ccc(C(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)nc3)C[C@@H](O)[C@@H]2O)cc1OC 2356482835 UBVNIWSDLHAGET-DECQCQTCSA-N 426.391 2.125 0 1 IEAF C[C@H]1C=C[C@@H]2C[C@H](C)CC[C@H]2[C@H]1C(=O)c1c(O)ncc2c1O[C@H]1[C@@H](O)CC[C@@]2(O)[C@@H]1O 2356723717 RXANZDKSACWYJQ-VWZWPCNTSA-N 429.513 2.309 0 1 IEAF O=S(=O)(N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@@H](O)[C@@H]1O)c1ccc(Cl)cc1 2356773509 BCWCSISZDLWUIW-XNISGKROSA-N 436.839 2.310 0 1 IEAF CS(=O)(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@H]2C1 2356873061 ZCWGOIDMEVKCDH-YLJYHZDGSA-N 425.510 2.332 0 1 IEAF COc1ccc(-c2noc(-c3ccc(OC)cc3OC)c2C(=O)NC[C@H](O)CO)cc1 776917 BTFIJUCLWHEHFX-AWEZNQCLSA-N 428.441 2.117 0 1 IEAF CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC(=O)Cc3ccccc3)[C@H]2SC1 26566340 CWMVVTWUSVJEPU-AZUAARDMSA-N 447.509 2.215 0 1 IEAF O=C(NC1Cc2ccccc2C1)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2 95878929 CBVYCFZUVOSNLX-SDZTWWDVSA-N 445.563 2.341 0 1 IEAF CN1[C@@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCc1ccccc1F 95881170 RWGJCZCROVCGRA-PJIZGREPSA-N 437.515 2.465 0 1 IEAF Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)s1 100271535 CBTBDTYXLDYYCP-CVEARBPZSA-N 433.555 2.105 0 1 IEAF O=C1[C@@H]2[C@@H]3CC[C@H]([C@@H]4C[C@@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2cncc(Cl)n2)CC1 169367670 OLRJWQJNJDEKHM-RYQGBKPXSA-N 443.979 2.309 0 1 IEAF C[C@H](CC(C)(C)C)NC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccccc21 210632134 ZASQGDYXOONYBH-DTDBQYNISA-N 425.533 2.066 0 1 IEAF COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cnc(Cc2ccc(F)cc2)nc1 587946951 OGHHPWFRONWLEL-UHFFFAOYSA-N 429.404 2.269 0 1 IEAF CC(C)[C@H](NCP(=O)(O)O)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O 1540174 NVOGZCACYSGYEQ-OALUTQOASA-N 434.429 2.215 0 1 IEAF Nc1nc2c(cnn2CCc2ccccc2)c2nc(-c3ccc(OCC(=O)O)cc3)nn12 13493991 GWKPSJVVEIUIBY-UHFFFAOYSA-N 429.440 2.429 0 1 IEAF COc1ccc(S(=O)(=O)N2C[C@H](C(=O)N3CC(N)C3)c3ccccc32)c2ccccc12 49037219 PMAPGXWUJZURNI-IBGZPJMESA-N 437.521 2.310 0 1 IEAF COc1ccccc1CCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccco1 82143003 PLJGJONVGJHHOC-UHFFFAOYSA-N 449.511 2.386 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@@H](C)N(C(=O)C2CC2)C[C@H]1C 95689722 OTZAREIZRHIYQA-PZPWOCDFSA-N 431.533 2.388 0 1 IEAF CN1[C@H](C(=O)NC2Cc3ccccc3C2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 95880664 RYRKJVGHCQEZAP-HFOXQMJASA-N 445.563 2.293 0 1 IEAF O=C1CC[C@@H](N2C(=O)c3ccc(CNC(=O)Nc4ccccc4Cl)cc3C2=O)C(=O)N1 137902363 BTMAGCJFZAIFOH-MRXNPFEDSA-N 440.843 2.063 0 1 IEAF O=C(c1ccc2nc(-c3cc(Br)cnc3F)[nH]c2c1)N1CCN(CCO)CC1 587177857 COBORXRBDXRRFA-UHFFFAOYSA-N 448.296 2.277 0 1 IEAF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)CN1CCN(c2ncccn2)CC1 587869774 OIJDWLAJODCOGY-UHFFFAOYSA-N 447.421 2.225 0 1 IEAF COC(=O)[C@@H]1CC(=O)[C@@H](OC(C)=O)C[C@]12c1ccsc1CCN2Cc1cccnc1 963002660 CZDBOYPWBSNHBD-JLMWRMLUSA-N 428.510 2.481 0 1 IEAF C[C@@H](Nc1ncc(F)c(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1noc(Cc2ccccc2)n1 1772641064 RUTLACTVCZTWSF-JMSVASOKSA-N 428.424 2.469 0 1 IEAF Cn1cc(CN2C(=S)N(Cc3ccco3)[C@H]3[C@H]2[C@@H]2OC(=O)[C@@H]3C[C@H]2O)c2ccccc21 2356308342 NHRNUEFGKHWONF-LELZANKISA-N 437.521 2.417 0 1 IEAF CC(=O)O[C@@H]1C[C@@]23CC(=O)O[C@@H](C[C@@H]2C)[C@]3(O)[C@](C)(COC(=O)c2ccccc2)[C@]1(C)O 2356583468 UTWZPWAOYDZTLT-NXIRQSKGSA-N 446.496 2.009 0 1 IEAF COc1cc(OC)cc(N2C(=O)[C@@H]3C[C@H](NC(=O)c4ccnc(Cl)c4)CCN3C2=O)c1 25179563 OYCJAAGUMJYSMT-DYVFJYSZSA-N 444.875 2.482 0 1 IEAF biogenic CC[C@@H](COC)Nc1nc(NCCCCNC(=O)COC)nc2cc(OC)c(OC)cc12 82118556 NJYNNMXJFDILIG-HNNXBMFYSA-N 449.552 2.439 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)c2ccc(F)cc2)O1)Nc1nccs1 95885783 KTKNBFABKQGKNS-XLAORIBOSA-N 449.504 2.061 0 1 IEAF NS(=O)(=O)c1cccc2nc(CCn3cc(Br)c(C(F)(F)F)n3)[nH]c12 587119559 YFQXIOHLTOIRFL-UHFFFAOYSA-N 438.229 2.431 0 1 IEAF CN(C)CCOc1ccc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2c1 587133853 DLYJQIJNTZLJDU-UHFFFAOYSA-N 428.436 2.399 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C[C@@H](C)[C@@H]2C 961789730 VECUGHHWPMAJAH-LUOQLFNYSA-N 449.551 2.249 0 1 IEAF CCNC[C@](O)(CCCCCC[C@H](CC[C@@H]1CC[C@H](O)[C@@H](C)N1)CNC)CC(=O)O 2356291802 AQOOPQXHROGANV-YFZQLAKJSA-N 429.646 2.260 0 1 IEAF C[C@@H](NC(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccccc1 8671660 XSOKSTPLSIIAJS-OAHLLOKOSA-N 429.498 2.256 0 3 IEAF aggregator COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@H](C)O3)c1 15936539 FAXHCUHRNHNNOJ-UGSOOPFHSA-N 448.497 2.323 0 3 IEAF CCOc1ccccc1[C@H]1ON=C(c2ccc(N(C)C)cc2)[C@H]1C(=O)NCCOCCO 4039568 OGNMBBIWMZRJFE-FYYLOGMGSA-N 441.528 2.368 0 1 IEAF CS(=O)(=O)NCCCN1CCN(CCCNc2ccnc3cc(Cl)ccc23)CC1 26576389 CIJCXBURILJTPF-UHFFFAOYSA-N 440.013 2.247 0 1 IEAF CC(C)[C@H]1NC(=O)[C@H](NC(=O)OC(C)(C)C)CCC/C=C\CCC[C@H](CO)NC1=O 27188287 YHDJLKNLPJORET-YQHFMZHWSA-N 425.570 2.408 0 1 IEAF COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3N)n3ccnc3c2C(N)=O)cc(OC)c1 40940388 DVAXQAPODFQWRX-CVEARBPZSA-N 425.493 2.271 0 1 IEAF O=c1c(NCc2cccc(OC(F)(F)F)c2)c2n(c(=O)n1Cc1ccncc1)CCN2 82204669 RQZQDNSHUKEJNJ-UHFFFAOYSA-N 433.390 2.390 0 1 IEAF COc1cc(C(=O)[C@H]2COC[C@]2(CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC 95099227 HKVASQZMEAEGTN-WAIKUNEKSA-N 430.453 2.492 0 1 IEAF biogenic,in-vitro CC(C)C[C@H](NC(=O)c1cccc2c1N[C@@H]1C=CC=C[C@H]1S2)C(=O)N[C@H]1CCO[C@H]1O 253641743 SOWCNGSORKLXDE-SJPYXHTESA-N 443.569 2.435 0 1 IEAF COc1ccc(S(=O)(=O)N[C@H](c2nc3c(Br)ccnc3[nH]2)[C@@H](C)O)cc1 586935758 GIKIEHSYNGHQNY-RNCFNFMXSA-N 441.307 2.129 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)O2 587410325 QQYGBUMPKZUQBJ-IBGZPJMESA-N 438.527 2.183 0 1 IEAF Cc1noc(-c2cc(-c3cc(F)c([C@]4(C)CS(=O)(=O)N(C)C(=N)N4)s3)ccn2)n1 1772576157 QKWAZHOWCCPSFB-KRWDZBQOSA-N 436.494 2.322 0 1 IEAF Cc1cc(C)c(CNc2nc(-c3ccc(N4CCN(C)CC4)nc3)[nH]c3ncnc2-3)c(O)n1 1857542441 RUXFNRTZWLWMCA-UHFFFAOYSA-N 445.531 2.448 0 1 IEAF CC=C1CN2[C@H]3C[C@]45c6ccccc6N[C@@]4(O3)[C@@]2(OC)C[C@H]1[C@]5(COC(C)=O)C(=O)OC 2356697882 VDLKMXAKUHLWFE-VAEKYHGVSA-N 440.496 2.153 0 1 IEAF CN1Cc2c(ccc3c2OCO3)[C@@]2(C)[C@@H](OS(=O)(=O)O)Cc3cc4c(cc3[C@@H]12)OCO4 13408851 NOTJGICZOQVGSA-TYPHKJRUSA-N 447.465 2.333 0 1 IEAF CC[C@H](C)Cn1cnc2c(NCc3ccc(OC)cc3)nc(N(CCO)CCO)nc21 26580016 QOMDSVJGPQPUGK-INIZCTEOSA-N 428.537 2.284 0 1 IEAF CCCCSc1nc(NC2CCCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 84652777 DNSFIHXDFRSFKT-NVQRDWNXSA-N 437.566 2.075 0 1 IEAF COc1ccccc1-c1cnc2c(c1)C(=O)N([C@@H](C)CO)C[C@H](C)[C@H](CN(C)C(C)=O)O2 95710676 UUOCJBRUULBREA-WCJKSRRJSA-N 441.528 2.456 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@@H](CO)N(CC1CCOCC1)CC31CN(C(=O)C2CC2)C1 95865390 RJGTURJHYJJYQN-OAQYLSRUSA-N 439.556 2.442 0 1 IEAF CCCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]1N2C(=O)CC1CC1 95879830 DMDXWOMCIVWLFG-ZXMXYHOLSA-N 449.551 2.332 0 1 IEAF CN(C)S(=O)(=O)CCc1nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[nH]1 586932274 ZBVXKJWUKBIKAD-UHFFFAOYSA-N 442.950 2.451 0 1 IEAF COc1ccc(C(=O)N2CC[C@@H]3CC(=O)N([C@H](Cc4ccccc4)C(N)=O)CC[C@H]3C2)cc1 2356810677 BAFUFTLIYFDUPB-FUPPJEDESA-N 449.551 2.493 0 1 IEAF CCOCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(NCCN2CCOCC2)n1 28524831 VDCLFYJMKMZSES-UHFFFAOYSA-N 443.479 2.443 0 1 IEAF Cc1cc([C@@H](C)Nc2ccccc2-c2nnn[nH]2)c2nc(N3CCOCC3)cc(=O)n2c1 38839887 VOKGKARHNCQWAZ-OAHLLOKOSA-N 432.488 2.193 0 1 IEAF CC(C)[C@]1(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C2CCOCC2)CC[C@@H](NC2CCOCC2)C1 66113349 QFGWZLYTLHOTLF-KXEAFHOWSA-N 447.620 2.188 0 1 IEAF CS(=O)(=O)C1(c2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)CCNCC1 95581215 OEVJSSULLRZFHY-UHFFFAOYSA-N 441.557 2.085 0 1 IEAF COC(=O)C[C@@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 95903174 HFIMGBHSBJMCIP-MFYXDEDASA-N 441.436 2.225 0 1 IEAF Cc1ccc2nc(SCC(=O)NN3C(=O)CCC3=O)n(Cc3ccccc3)c(=O)c2c1 98084328 FTXNRYVBAQNHJH-UHFFFAOYSA-N 436.493 2.026 0 1 IEAF CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C[C@@H](C)O)c4n3)nn2)CC1 169706865 XSOPTVSJUMSGRC-CQSZACIVSA-N 433.520 2.082 0 1 IEAF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4C[C@](C)(CO)C[C@H]4C=C(CO)[C@]23O)c(O)c1 238753291 GGQLLLSSCCXUBL-XDJDACAPSA-N 432.513 2.333 0 1 IEAF Cc1cc(=O)oc2cc(OCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 299835175 LXAIPMNZUHIOOZ-UHFFFAOYSA-N 444.421 2.013 0 1 IEAF COC(=O)c1cccc2nc(-c3nn(C)c(C(=O)O)c3I)[nH]c12 587181017 LJUGPKXUOROGBU-UHFFFAOYSA-N 426.170 2.053 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1[C@H](O)CC(=O)[C@@H]1CC=CCCCC(=O)OC[C@H](O)CO 2356456800 RJXVYMMSQBYEHN-GXQSQTKBSA-N 426.550 2.063 0 1 IEAF O=C(c1cc(S(=O)(=O)N2CCOCC2)c(Cl)cc1Cl)N1CCCC[C@H]1CO 3257043 KLRJNLCCOXDCKG-LBPRGKRZSA-N 437.345 2.001 0 3 IEAF O=C(NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)c1ccccc1Cl 12355081 XOTGRISGKWUOHU-INIZCTEOSA-N 429.860 2.458 0 1 IEAF CN1Cc2c(ccc3c2OCO3)[C@]2(C)[C@@H](OS(=O)(=O)O)Cc3cc4c(cc3[C@@H]12)OCO4 13408855 NOTJGICZOQVGSA-CEWLAPEOSA-N 447.465 2.333 0 1 IEAF biogenic C[C@@H](c1ccccc1)N1CCN(C[C@H](O)Cn2cnc3c(-n4cccc4)ncnc32)CC1 26575676 MHIUSEYWEDYHLF-FPOVZHCZSA-N 431.544 2.357 0 1 IEAF COCC(=O)NCCCNc1nc(NCCCOC(C)C)c2cc(OC)c(OC)cc2n1 82118746 CQAXVQQBMUMVBP-UHFFFAOYSA-N 449.552 2.439 0 1 IEAF O=C(Nc1ccccc1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)c1ccccc1 95879509 NXVVMBSRACJMDP-NEKRIBJYSA-N 429.476 2.291 0 1 IEAF CN1[C@H](C(=O)NCCc2ccccc2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 95881268 GREICYGZNILNNR-HFOXQMJASA-N 443.547 2.468 0 1 IEAF O=C(C[C@@H]1CC[C@H]2NC[C@@H](O)COC[C@@H]2O1)NCc1ccc(Oc2ccccc2)cc1 95887098 GATSYQQQECLMNC-MSYGRNIXSA-N 426.513 2.382 0 1 IEAF CO[C@@H]1COC(=O)C/C=C\[C@H](C)[C@@H](OC)COC(=O)[C@H]2CCCN2C(=O)C/C=C/[C@H]1C 169299091 HHEXKUYCUJXZBF-MKBQUBPVSA-N 437.533 2.272 0 1 IEAF FC(F)(F)c1cc(Cl)ncc1-c1nc(N2CCOCC2)nc(N2CCOCC2)n1 1772608813 HXRQTGTWDIAOLJ-UHFFFAOYSA-N 430.818 2.279 0 1 IEAF C[C@@H](O)CNC(=O)c1ccc2nc(C(O)(c3ccccc3)c3ccccc3)n(CCN)c2c1 1857615442 IEQJYCPKOKHXNC-GOSISDBHSA-N 444.535 2.390 0 1 IEAF CC1=C(C(=O)N(C)C)C[C@@H](CC(=O)NC2CCCCC2)C(=O)N1CCCN1CCCC1=O 61920976 YICPACKIAIDIGT-SFHVURJKSA-N 446.592 2.049 0 3 IEAF COC(=O)[C@H]1CCCN(C(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)C1 201465834 XXOXJSOHOGMDKU-SFHVURJKSA-N 445.541 2.047 0 3 IEAF COc1cnn(C)c(=O)c1-c1ccc(C[C@H](NC(=O)N2CCCC[C@H]2C)C(=O)O)cc1 13704646 JVMSOORAPUAHHJ-PBHICJAKSA-N 428.489 2.036 0 1 IEAF CC(C)C[C@@H](N)C(=O)N1CCC(C(=O)N[C@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 15958295 FEFXTOZCHYSOSN-RTWAWAEBSA-N 448.583 2.195 0 1 IEAF biogenic N=C(N)NOCCCOc1cc(Cl)cc(C(=O)N(CCN2CCCC2)CC2CC2)c1 27193969 FOJAPCLPOYMDKK-UHFFFAOYSA-N 437.972 2.472 0 1 IEAF O=C(NCCCN1CCCCC1)c1ccc2c(=O)n(Cc3cccc(F)c3)c(=O)[nH]c2c1 28642544 XIXDUNIKRKHVEX-UHFFFAOYSA-N 438.503 2.483 0 1 IEAF C[C@@H](NC(=O)c1ccc(Cl)cc1NC=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F 29546403 SKOXYQMLUAWRMZ-MPBGBICISA-N 449.845 2.484 0 1 IEAF CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12)C(=O)O 39828595 CCZXBOFIBYQLEV-IHPCNDPISA-N 430.549 2.184 0 1 IEAF in-vitro CC(=O)Nc1cccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)c1 82194940 ZIXZRLNDMOKNMP-AOIWGVFYSA-N 430.530 2.003 0 1 IEAF CN1CCN(S(=O)(=O)c2ccc(NC(=O)n3sc4ccccc4c3=O)cc2)CC1 169311134 FZIXMTMBUYOGCV-UHFFFAOYSA-N 432.527 2.079 0 1 IEAF CO[C@@H]1COC(=O)CC=C[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)CC=C[C@H]1C 253995054 KBHPPKYRDDJVFM-ZRSRNVLSSA-N 426.506 2.461 0 1 IEAF CC(C)OC(=O)N1CC[C@@H](COc2ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c2)C1 299824664 LODAPOVAEGMKHO-MRXNPFEDSA-N 434.514 2.487 0 1 IEAF CCN(Cc1nc(-c2ccc(F)cc2)no1)[C@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@@H]1N 618015808 YGGNEJYNMPDEHB-MOPGFXCFSA-N 438.463 2.103 0 1 IEAF COc1cc2c(cc1OC)[C@]1(C=C(C(=O)O)OC(=O)C1)N(C(=O)c1ccccc1N)CC2 963144498 NBOCDTODYCRJAS-HSZRJFAPSA-N 438.436 2.095 0 1 IEAF CCN(CC)C[C@@H](C)CNC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCCC3)cc12 8662090 DVKDZWDFJUUCND-INIZCTEOSA-N 448.589 2.020 0 1 IEAF O=C1NCN(c2ccccc2)C12CCN(C[C@H]1COc3ccc4[nH]c(CO)cc4c3O1)CC2 13726419 UWNQTNJQOXIWHF-IBGZPJMESA-N 448.523 2.229 0 1 IEAF COc1c(C(=O)N[C@@H]2CN3CCC2CC3)cc(Cl)c(N)c1I 26636813 ORXSRBCOMNTIRE-LLVKDONJSA-N 435.693 2.359 0 1 IEAF CO[C@@H]1COC(=O)C/C=C/[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H]1C 33943429 KBHPPKYRDDJVFM-AZNYWPADSA-N 426.506 2.461 0 1 IEAF COC(=O)C1=C(C(=O)OC)[C@@H]2N(C)c3ccccc3[C@]23CCC(=O)N(Cc2ccco2)C3=N1 72134873 XMYAELSMEBBILJ-GBXCKJPGSA-N 449.463 2.171 0 1 IEAF O=C(N[C@H]1CC[C@H](CCn2cc(-c3ccccn3)nn2)O[C@H]1CO)c1ccc(F)cc1 95599912 JEWVOUSHTDFCPR-LMNJBCLMSA-N 425.464 2.208 0 1 IEAF Cc1cccc(-c2ccc([C@@H]3[C@H](CO)N4C(=O)CN(C(=O)c5cnccn5)C[C@@H]34)cc2)c1 95663403 FAEZEZMAIFLOTA-FIXSFTCYSA-N 428.492 2.263 0 1 IEAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3ccc(F)cc3)cc1)[C@@H](CO)N2S(C)(=O)=O 95794621 KIQIEUFWARLVGQ-CTNGQTDRSA-N 432.517 2.203 0 1 IEAF O=C(NC[C@@H](O)CO)c1ccc2c(c1)nc(COCc1ccccc1)n2Cc1ccco1 96910698 FUBRAVZNMKBKHZ-LJQANCHMSA-N 435.480 2.477 0 1 IEAF CC(=O)OCCN1Cc2cc(-c3ccc(/C=C4/NC(=S)NC4=O)s3)ccc2C1=O 103237718 HAVXAOUAJZQMMP-CXUHLZMHSA-N 427.507 2.279 0 1 IEAF C[C@@H]1CCC=C2C[C@@H]3OC(=O)[C@H](CN4CCN(C(=O)c5ccco5)CC4)[C@@H]3[C@@H](O)[C@@]21C 504640320 KJPDWMMNIXDJJC-VAQQDDPTSA-N 428.529 2.322 0 1 IEAF biogenic COc1ccc(S(=O)(=O)N[C@@H](c2nc3c(Br)ccnc3[nH]2)[C@@H](C)O)cc1 586935757 GIKIEHSYNGHQNY-NOZJJQNGSA-N 441.307 2.129 0 1 IEAF COc1ccc(Cn2c(C)nc3c(NCCN4CCOCC4)nc(C)nc32)cc1OC 653912778 BQDXGNGMUQSGRO-UHFFFAOYSA-N 426.521 2.253 0 1 IEAF Nc1n[nH]c(C[C@]2(c3ccccc3)N[C@@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)n1 962644209 UCQXCFVAGYRPEG-DNVCBOLYSA-N 433.390 2.371 0 1 IEAF O=C(CSC(=S)NN1CCN(c2ccccc2)CC1)NCc1ccc2c(c1)OCO2 1772615888 BMQWQLHACAILIH-UHFFFAOYSA-N 444.582 2.376 0 1 IEAF Cc1ncc(-c2ccn3ncc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3n2)cn1 1857552112 DUHRWVMGYDCAIT-UHFFFAOYSA-N 436.497 2.183 0 1 IEAF CC(=O)O[C@@H]1C[C@@]23CC(=O)O[C@@H](C[C@@H]2C)[C@]3(O)[C@@](C)(COC(=O)c2ccccc2)[C@@]1(C)O 2356583470 UTWZPWAOYDZTLT-YGGOCEGKSA-N 446.496 2.009 0 1 IEAF C[C@H]1C[C@H](C)CN(S(=O)(=O)N2CCC[C@@H](C(=O)NCCCN3CCCC[C@@H]3C)C2)C1 15905816 GBFDVYUKMCIYNN-XSDIEEQYSA-N 442.670 2.302 0 1 IEAF CCOC(=O)[C@@H]1C[C@@H]1[C@@H]1CN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)C[C@H]1N 38657275 HMKMQVYWJCUWJS-SCGCMHLBSA-N 443.475 2.136 0 1 IEAF O=C(Nc1cccc(Cl)c1)N[C@@H]1CC[C@H](CCNC(=O)C2CCOCC2)O[C@@H]1CO 95675833 PBAPATWUXUNVNP-GUDVDZBRSA-N 439.940 2.303 0 1 IEAF Cc1nc(CO)nc2c1c(O)cc(=O)n2Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 100810807 AYEBUIVINDPNBD-UHFFFAOYSA-N 441.451 2.193 0 1 IEAF O=C(O)CN1C(=O)C(N[C@H](CCc2ccccc2)C(=O)O)=C[S@H](O)c2ccccc21 169713051 HISKTGKZBMZNGC-OAHLLOKOSA-N 430.482 2.468 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NCc4ccc(F)cc4F)nc23)N1 205051784 CUSBEYOGEHKVLC-WCSRMQSCSA-N 425.399 2.374 0 1 IEAF CNCCOC(=O)/C=C1/CC[C@H]2[C@@H]([C@@H](O)C(=O)[C@H]3[C@@](C)(C(=O)OC)CCC[C@]23C)[C@H]1C 238784851 GIXHVOWBYFQWRP-DXCOKMJCSA-N 435.561 2.267 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587842145 DEHUNFIOUJGMHT-QAGHZCBJSA-N 434.327 2.316 0 1 IEAF CCOc1cc([C@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)ccc1OC(F)F 963207665 RSMPEDJBDCPEDR-DEYYWGMASA-N 432.427 2.257 0 1 IEAF c1cncc(-n2cnc3c(NCc4nc5ccccc5[nH]4)nc(N4CCNCC4)nc32)c1 1857644809 QNOGOWQWDXIZSG-UHFFFAOYSA-N 426.488 2.109 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4[C@H]5O[C@H]6[C@](O)(CO[C@@H]7O[C@H]([C@@H]4[C@@]76O)[C@@]3(C)CC[C@@]2(C)CC1)O5 2356323723 MNRQLHQVSXOFJM-CJXVGZKHSA-N 446.540 2.002 0 1 IEAF Cc1noc(C)c1C(=O)N1CC[C@@]1(C)C(=O)NS(=O)(=O)c1cccc(OC(F)F)c1 61896076 JUWKUCJAXMEQHP-SFHVURJKSA-N 443.428 2.003 0 3 IEAF COCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(F)cc3)cc2c1=O 6181294 RUDLKAWZFLYFDB-UHFFFAOYSA-N 447.488 2.259 0 1 IEAF CSc1ccc(-c2ccc3c(c2)C(=O)N2C[C@@H](NS(C)(=O)=O)C[C@H]2C(=O)N3)cc1 8299668 MMEWEFBQSDQNNA-KSSFIOAISA-N 431.539 2.160 0 1 IEAF biogenic COc1c2c(c(OC)c3c1[C@]1(O)c4ccccc4N[C@H]1O3)[C@]1(O)c3ccccc3N[C@@H]1O2 14723334 JZKQUOQREZSLLO-UEQSERJNSA-N 432.432 2.464 0 1 IEAF biogenic CCc1cc(NCC(C)(C)N)n2nc(Nc3cc(OC)cc(OC)c3)c(C(N)=O)c2n1 40895837 MXBZWZIIBVCRTG-UHFFFAOYSA-N 427.509 2.301 0 1 IEAF O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCCN(C(=O)c2csc(-c3ccccc3)n2)C1 82069296 UTJQVWDOKOIQNW-DLBZAZTESA-N 426.542 2.447 0 1 IEAF CC(=O)O[C@@H]1C[C@](C)(O)[C@@]23OC(C)(C)C=C[C@@H](OC2=O)[C@]3(C)[C@@H]1OC(=O)c1ccccc1 86033930 RSNFILCTTXAPIW-VIDRWULDSA-N 444.480 2.334 0 1 IEAF biogenic CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4OC)c3=O)[C@@H]2N1CC 95880111 NMZKHSXSZCCEFB-HXHBTQRASA-N 425.529 2.034 0 1 IEAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886255 AMOSMMFFMRAXPR-ZSYWTGECSA-N 439.940 2.398 0 1 IEAF COC(=O)N(C)C[C@H](O)CN1CCC(CNC(=O)c2cccc3[nH]c(C(C)C)nc23)CC1 96272867 HKJSZEAARPYKSF-KRWDZBQOSA-N 445.564 2.187 0 1 IEAF CC(C)N1C(=O)[C@H]2[C@H](C(=O)NC3CCCCC3)[C@@H]3C=C[C@@]2(O3)[C@@H]1C(=O)NC1CCCCC1 104411539 MTXGZVVJWPJPOQ-NKGLDRCDSA-N 443.588 2.443 0 1 IEAF NC(=O)COC1CN(C(=O)c2cc(Cl)c3c(c2)[C@](O)(C(F)(F)F)c2ccccc2-3)C1 144813716 IKLCPFDDCLCXJU-IBGZPJMESA-N 440.805 2.445 0 1 IEAF COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccccn4)c(C)c3C)C[C@H]2C)cn1 168367815 FWTCYLIISSHRAD-OAHLLOKOSA-N 433.516 2.371 0 1 IEAF N=C(NCCCCCCNC(=N)NC(=N)NC1CCCCC1)NC(=N)NC1CCCCC1 169337216 FWMCJZDNLDMTRH-UHFFFAOYSA-N 448.664 2.489 0 1 IEAF CCOC(=O)c1cc(Br)c2[nH]c(C3CCN(S(=O)(=O)NC)CC3)nc2c1 586954650 MFGKZNGJXPZDBV-UHFFFAOYSA-N 445.339 2.146 0 1 IEAF Oc1nc(O)c(I)c(-c2nc3cncc(Br)c3[nH]2)n1 587181787 CWNFVLQHFVFRJM-UHFFFAOYSA-N 433.991 2.193 0 1 IEAF CC(=O)OC[C@H]1O[C@H](O[C@@]2(C)C=C[C@H](C(C)C)CCC(C)=CCC2)[C@@H](O)[C@H](O)[C@H]1O 2356622802 MQIPEAYACPPTOK-XANNLXTESA-N 426.550 2.481 0 1 IEAF COCc1c(O)ccc(Cc2c(O)cccc2C=C[C@H](O)[C@H](C)O)c1C=C[C@@H](O)[C@H](C)O 2356722074 XPBZOXVPRZUJPE-PCNTZYQVSA-N 444.524 2.345 0 1 IEAF CC(C)[C@@]12C[C@@]3(C)[C@](O)(C[C@@]4(C)Oc5cc(O)c6c(c5C[C@@]43O1)[C@H](O)[C@H](C)OC6=O)O2 2356827019 HMRARWPSVSGXMT-BBWXCXOVSA-N 432.469 2.318 0 1 IEAF O=C(CCn1c2c(c(=O)[nH]c1=O)CSCC2)NCC(=O)c1cccc(-c2ccccc2)c1 13860415 RJHWZPBAYUDHTP-UHFFFAOYSA-N 449.532 2.382 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2[C@H](O)CC[C@H]3[C@]2(C)CC[C@@H](O)[C@@]3(C)CO)cc1OC 43554180 OEGHCUCVAPIZHD-UGRRKXAYSA-N 435.561 2.257 0 1 IEAF biogenic Cc1ccnc(N2CCC(Oc3ccn(-c4ccc(S(C)(=O)=O)cc4)c(=O)c3)CC2)n1 59069279 FJRQPZWTKVINCI-UHFFFAOYSA-N 440.525 2.387 0 1 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]1N2Cc1ccncc1 95881294 VVTBWGPAMHMSNA-AZOUXBGGSA-N 448.567 2.453 0 1 IEAF N#CN1CC[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCCOCc2ccccc2)C1 621431424 FVKZEOJHPAUFSV-YADHBBJMSA-N 436.512 2.212 0 1 IEAF O=C(CCN1CC(C(=O)O)C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857583323 RBMOWGUTYMHJOM-UHFFFAOYSA-N 443.554 2.411 0 1 IEAF CC=C(C)C(=O)O[C@@H]1C2=C(C)[C@H]3C[C@]4(CO)C(=O)O[C@@H]5CC[C@@H](C)[C@]1(C)[C@@]5(O)C[C@@]24O3 2356590495 QBBBYGQGNJHPPR-AKSQDYIESA-N 432.513 2.197 0 1 IEAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](c1ccc(OC)cc1)N[C@]21CCCN(Cc2ccco2)C1=O 61921205 NAILZRZHWBZBIO-DBYOASNMSA-N 437.496 2.115 0 3 IEAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(F)cc(F)c3)C2=O)c2cc(Cl)ccc21 14976680 NPZVEIRNQWICMX-HXUWFJFHSA-N 434.782 2.246 0 1 IEAF CCCCO[C@H]1C[C@H](C(=O)NCc2cccc(OC)c2OC)N(C(=O)c2cnccn2)C1 82199469 YZDKAEPYTBBWCZ-PKOBYXMFSA-N 442.516 2.210 0 1 IEAF CCCCNc1nc(N)c2[nH]c(=O)n(Cc3ccc(OCCCCN(C)C)nc3)c2n1 95595170 ACVUGGBXFAOEDQ-UHFFFAOYSA-N 428.541 2.078 0 1 IEAF O=C(Cc1ccccn1)N1CC(=O)N2[C@@H](CO)[C@H](c3ccc(-c4ccccc4)cc3)[C@@H]2C1 95866409 MSSUKJNHUJFMOW-JCYRPKCISA-N 427.504 2.489 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 95899336 GUFQTAZGDROFPH-MRKDIWJRSA-N 432.517 2.105 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@@H]2Cn2cc(-c3ccc(F)cc3)cn2)n1 210603002 UGKCCJQAMWXAHJ-HXUWFJFHSA-N 433.447 2.472 0 1 IEAF C[C@H](O)[C@@H](C)C(=O)O[C@H](C)C/C=C\C=C\[C@H]1CC[C@@]2(C[C@@H]3OC(=O)[C@@](C)(CO)[C@@H]3O2)O1 238750843 NQHCVEOIXCDKGY-IEYHZZMASA-N 438.517 2.026 0 1 IEAF COc1ccc(Cc2nc3cc(F)cc(C(=O)O)c3[nH]2)cc1S(=O)(=O)N1CCOCC1 586957175 QGHKPAAQHCIRPT-UHFFFAOYSA-N 449.460 2.021 0 1 IEAF COC(=O)c1cc([C@]2(C(O)O)Oc3ccccc3C(=O)[C@@H]2C(=O)c2ccco2)ccc1O 587593696 MTRRPJHXDURBAX-JPYJTQIMSA-N 438.388 2.052 0 1 IEAF NC(=S)c1cccc(-c2cn(C3CCN(S(N)(=O)=O)CC3)c3cc(N)ccc23)c1 1857585944 SQGFCNMCXVDFIT-UHFFFAOYSA-N 429.571 2.365 0 1 IEAF O=C(O)CCC(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccc(O)cc4)ccc3NC(=O)[C@@H]12 2356863310 UQRCFAVJSQVFIU-DENIHFKCSA-N 449.463 2.079 0 1 IEAF COc1ccc2nc(N3CCC[C@H](C(=O)NCCCN4CCN(C)CC4)C3)sc2c1 20113926 FIOBDPCCLWNSCI-KRWDZBQOSA-N 431.606 2.275 0 3 IEAF CN(C)C(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1ccccc1 95881321 KJMJDBJBODWWPN-CJTFWIGWSA-N 444.535 2.162 0 1 IEAF COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccccc3)c1-2 112940870 NGBLTFKHBCOUQB-UHFFFAOYSA-N 439.493 2.308 0 1 IEAF COC(=O)CC(=O)Nc1nc2c(s1)C[C@@H](NC(=O)c1cc(Br)c[nH]1)CC2 473090974 QMDHVWJSHLQPDK-VIFPVBQESA-N 441.307 2.023 0 1 IEAF CN(C)S(=O)(=O)c1cccc2nc(CCS(=O)(=O)c3ccc4c(c3)CCC4)[nH]c12 586922489 PELFYXCKXNTZOT-UHFFFAOYSA-N 433.555 2.318 0 1 IEAF COc1ccc(OC)c2c1C[C@H](C)N[C@H]2c1c(N2CCOCC2)nc2ccccn2c1=O 963606590 IKFNFTXXPJOZDW-OYHNWAKOSA-N 436.512 2.172 0 1 IEAF O=C(O)CNC(=O)c1ncc(-c2cn(C(c3ccccc3)c3ccccc3)nn2)cc1O 1857751894 JUUPCQSJJPBJNS-UHFFFAOYSA-N 429.436 2.498 0 1 IEAF CS[C@H]1C(=O)N(C)[C@@](Cc2ccc(OCC=C(C)C(=O)O)cc2)(SC)C(=O)N1C 2356459789 YVJJNCGPFXDJFU-PXNSSMCTSA-N 438.571 2.318 0 1 IEAF C[C@H]1[C@H](C)[C@H](c2ccc(OCO)c(OCO)c2)O[C@H]1c1ccc(OCO)c(OCO)c1 2356628118 HDENUUQCMLFGHC-HCIHMXRSSA-N 436.457 2.086 0 1 IEAF COc1cc(N(C)C)ccc1-c1nc2c(c(=O)n(C)c(=O)n2C)n1-c1cc(F)cc(F)c1 72170753 VJVRBBVLZUQVGN-UHFFFAOYSA-N 441.438 2.443 0 1 IEAF CNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2ccc(Cl)c(Cl)c2)O1 95566918 LCZNFVPWBVKYCJ-IXKJSCDLSA-N 446.331 2.271 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 95864690 YFORQDXSEWSXJG-OAQYLSRUSA-N 441.572 2.453 0 1 IEAF CCNC(=O)Nc1nc2cc(-c3ccc(-c4nnn(C)n4)nc3)c(=O)n(C(C)C)c2s1 103264832 NLSMXSWXYIDORK-UHFFFAOYSA-N 439.505 2.433 0 1 IEAF O=C(NC1CCC1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 113492741 DXXMJCZGYYBPTF-FCHUYYIVSA-N 447.535 2.143 0 1 IEAF C[C@H](O)CNc1cc(Nc2cccc(Cl)c2)nc2c(/C=C3\NC(=O)NC3=O)cnn12 117822870 FQKAUDSAIMUPLR-YXBHYIBOSA-N 427.852 2.099 0 1 IEAF C[C@@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)N1CCC[C@H](C(=O)O)C1 145972526 YYZHMTSKPMAKTP-ZFWWWQNUSA-N 427.457 2.285 0 1 IEAF CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4cscn4)o3)cc2Cl)CS1(=O)=O 209022019 REWUORFFNBSNFB-AWEZNQCLSA-N 444.951 2.380 0 1 IEAF COCCc1nccc(C[C@H]2[C@@H](CO)[C@@H](O)C[C@H]2NCc2ccccc2C(F)(F)F)n1 2356289725 YIKMLBDCYOJWSY-CUDHKJQZSA-N 439.478 2.375 0 1 IEAF COc1c2c(cc3c1OCO3)[C@@]13C=C[C@H](OC)C[C@H]1N(C2)C[C@H]3OC(=O)c1cccnc1 14417755 IITMLRSQGPFGSO-MGXMAZEZSA-N 436.464 2.455 0 1 IEAF biogenic C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)C3=C(C(=O)OC3)[C@H](O)[C@H](O)[C@H]12 14781246 FUQHSLBVVLYMCI-BCXSRQRTSA-N 431.441 2.153 0 1 IEAF biogenic CC[C@H](C)[C@H](NC(=O)[C@H](C)NC)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 59201482 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CCCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)cc(C)c2NC(=O)[C@@H]1C 82164991 NMPQKWXCZNCDON-ICSRJNTNSA-N 444.576 2.093 0 1 IEAF NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4C[C@@H]5CC[C@@H](C4)O5)c3)n2)c1 101551286 HBLUJJRKHYEUPJ-IRXDYDNUSA-N 438.513 2.297 0 1 IEAF C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cscn3)n[nH]c2C1(C)C 114183071 PXMAEWAINHKFFQ-STQMWFEESA-N 429.550 2.458 0 1 IEAF C[C@@H](Nc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc(C#N)cc1F 145183754 WNFFOBCDONSCGD-SMUOPJFFSA-N 447.434 2.063 0 1 IEAF CCOc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@]4(CN([C@H](C(=O)OC)C(C)C)C(=O)[C@@H]24)O3)cc1 195427949 VOLZOCOQWAJOAR-XYLMYFKBSA-N 428.485 2.003 0 1 IEAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)S[C@H](CC(=O)O)C(=O)O 209923471 MFFDPIJWPIGJHU-MEBBXXQBSA-N 448.453 2.149 0 1 IEAF CC(=O)N1CCN(c2ccc(F)cc2[C@]2(C)N[C@H](C(=O)O)Cc3cc(F)ccc32)CC1 962900348 QBFUPVSTRAJUMZ-NZQKXSOJSA-N 429.467 2.496 0 1 IEAF O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1ccc(I)cc1 1772618083 BWOPUZCVRJYDFJ-CYBMUJFWSA-N 449.204 2.129 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@H](OC)C(=O)N(c4ccc(OC)cc42)[C@H]13 2356413505 ZCTHOTXPRNWRNQ-VGSMQOMOSA-N 426.513 2.138 0 1 IEAF C[C@@H]1CNC(=O)c2c(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)OC(C)(C)C)ncn21 61922116 BKGXAZLKFRMPMJ-DYVFJYSZSA-N 437.500 2.352 0 3 IEAF O=C(N[C@@H](Cc1ccccc1)C1=NO[C@@H](C(=O)N2CCC[C@H]2C(=O)O)C1)c1ccccc1 26671975 VBYRXWKUSXFHQE-SESVDKBCSA-N 435.480 2.248 0 1 IEAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(N)=O 27095132 JKZCALXNJCQERK-WOJBJXKFSA-N 439.512 2.109 0 1 IEAF CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](CC(=O)O)C(=O)O)c1 28460494 RZSVJMNMQQUWJN-QGZVFWFLSA-N 429.425 2.394 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ncc(C(F)(F)F)cn3)CC1)C(=O)C2 40935636 LNRFZPWGNHLMFR-FZKQIMNGSA-N 446.495 2.343 0 1 IEAF COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCS(=O)(=O)O)CC1 43023859 RAVVCCLPZXTGMZ-UHFFFAOYSA-N 433.958 2.183 0 1 IEAF COc1cc2c(=O)c(Cc3c(O)oc4cc(O)c(OC)cc4c3=O)c(O)oc2cc1O 49050982 QHDIKYSTRCDTAY-UHFFFAOYSA-N 428.349 2.330 0 1 IEAF O=C(NCc1ccc(-c2ccncc2)cc1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1 71340522 VKDMDRYKYJWDCY-WXFUMESZSA-N 445.519 2.450 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](CO)[C@H](c3ccc(-c4ccc(F)cc4)cc3)[C@@H]2C1 95795643 YTXOATAQUYUYJS-QZNHQXDQSA-N 432.455 2.094 0 1 IEAF O=C(O)COc1ccc(Nc2ncc3nnn(C45C[C@@H]6C[C@H](CC(O)(C6)C4)C5)c3n2)cc1 101130068 IEBPZCOLCOJVHI-KAJWEHKCSA-N 436.472 2.469 0 1 IEAF CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 104561066 GNPPMCPCONLORU-SVFBPWRDSA-N 432.565 2.180 0 1 IEAF CNC(=O)[C@H](NC(=O)c1cc(O[C@@H](C)C(F)(F)F)c(C2(F)COC2)cn1)C(C)(C)C 149249932 OXRFXJJLBLXLSS-HZMBPMFUSA-N 435.418 2.497 0 1 IEAF O=S(=O)(NCCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc(Cl)nc1 586942943 UKJVSTUZCFDBBK-UHFFFAOYSA-N 434.678 2.429 0 1 IEAF CCOC(=O)[C@@]1(c2ccc3c(c2)OCCO3)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963229381 WBGWMCHQIXSESQ-CYFREDJKSA-N 434.448 2.412 0 1 IEAF CCCCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)no1 2356857324 RYKFJNSPSFFHKK-PMACEKPBSA-N 426.585 2.482 0 1 IEAF CCOC(=O)[C@H]1CCCCN1Cc1nc(N2CCN(C(C)=O)CC2)c2ccccc2n1 12079530 NZIPIYWHHSPWRB-HXUWFJFHSA-N 425.533 2.216 0 1 IEAF CC(=O)Nc1cccc(C[C@@H]2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)c1 13603539 KFYTUPNCMHZUSF-QFIPXVFZSA-N 433.512 2.333 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1cccnc1 95879290 QNKBRYASTYKVNX-ZQRMPTRQSA-N 444.535 2.210 0 1 IEAF Cn1c(N2CCN[C@H](c3ccc(-c4ncon4)cc3)C2)nc(-c2ccncc2F)cc1=O 113088796 SLDPFBXUAPNNMX-IBGZPJMESA-N 433.447 2.182 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOC[C@@H]3C)n2)cc1 139004833 DVQJAIOBMGYWCL-AWEZNQCLSA-N 433.534 2.055 0 1 IEAF Cc1cc(COc2ccc3c(c2)CCn2c-3cc(OC[C@H]3COCCO3)nc2=O)on1 142916643 LJIYHSOKPSIAOS-GOSISDBHSA-N 425.441 2.136 0 1 IEAF Cc1ccc(C(=O)N2CCOC[C@H]2Cc2cccc(-n3nccn3)c2)c(-n2nccn2)c1 205653298 GKPHAIOJCHBZCT-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF Cc1ccc2[nH]c(C(=O)N[C@H]3Cc4ccccc4[C@@H]3NC(=O)[C@@H]3CNCCOC3)cc2c1 1857633334 RHDLPTDJRWGZLN-JZWVFAODSA-N 432.524 2.224 0 1 IEAF O=C(O)c1cn2c3c(c(N4CCN(c5ccccn5)CC4)c(F)cc3c1=O)OC[C@H]2CF 3920927 FASWMSDWHLSHQI-CYBMUJFWSA-N 442.422 2.463 0 1 IEAF investigational COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)CN1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 16036584 ZNPBDNKXXGCIQY-CVEARBPZSA-N 434.496 2.482 0 1 IEAF biogenic Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)N[C@@H](C(=O)O)C(C)C)c(C)c3cc12 26772118 GVZIDNRFXYCKGT-HXUWFJFHSA-N 428.441 2.040 0 1 IEAF biogenic NC(=O)[C@H](Cc1ccccc1)N[P@](=O)(O)[C@H](Cc1ccccc1)NC(=O)C(F)(F)F 27728064 RTBALMSTNAERMH-JKSUJKDBSA-N 443.362 2.105 0 1 IEAF O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1cccnc1N1CCOCC1 40752987 GQWVFXBSJTYWDJ-JOCHJYFZSA-N 441.491 2.464 0 1 IEAF CC(=O)N1CCC(n2cnc3c(N4CCOCC4)nc(-c4cccc(CO)c4)nc32)CC1 45337699 UVWTVDFYOPDZJA-UHFFFAOYSA-N 436.516 2.006 0 1 IEAF CCCC[C@H](CC)[C@H](C(=O)NCCN1CCOCC1)N1CC(=O)Nc2ccccc2C1=O 82235436 BJYZHKJVPLKMPM-PGRDOPGGSA-N 444.576 2.114 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@H]1C 95689719 OTZAREIZRHIYQA-WIEQDCTASA-N 431.533 2.388 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)CC2CCCCC2)OCc2cn(nn2)CCCC1=O 95810376 ZIMKOTFORJXDIC-XQBPLPMBSA-N 435.613 2.315 0 1 IEAF CCOC(=O)Cc1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 587181796 DHCBTVLYPZWOHX-UHFFFAOYSA-N 440.197 2.141 0 1 IEAF Cc1ccc([C@H]2N[C@H](C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)Cc3ccccc32)c(N)n1 963706559 VOIKLIPUQDLJBQ-FKBYEOEOSA-N 446.507 2.094 0 1 IEAF NS(=O)(=O)c1ccc(CCNC(=O)[C@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 1857762687 UYMJAVPMWBAECG-IBGZPJMESA-N 437.521 2.213 0 1 IEAF CN(CCc1ccccn1)C[C@@H]1CN2CC[C@H]1C[C@@H]2CNS(=O)(=O)c1ccccc1 2356286199 ZYQITKGERHHTCD-TUNNFDKTSA-N 428.602 2.245 0 1 IEAF C[C@H](N)C(=O)N1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2ccc(F)cc2)CC1 15970826 XBCIAIFMNHPXTN-HRAATJIYSA-N 440.519 2.078 0 1 IEAF biogenic CNC(=O)[C@@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 26579486 HZAXNPDJVFUGDS-SCSAIBSYSA-N 427.380 2.001 0 1 IEAF COc1cc(Cc2nnc(S)n2-c2ccccc2)c(S(=O)(=O)N(C)C)cc1OC 29132694 OTZGMMXRSFNJRQ-UHFFFAOYSA-N 434.543 2.414 0 1 IEAF CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(CCNC(C)=O)c(-c3ccc(F)cc3)c2)OC1(C)C 95574940 FYOSKKALYXICAT-WBADGQHESA-N 447.503 2.422 0 1 IEAF O=C1N=C2SC([N+](=O)[O-])=CN2C2=NC(=S)N[C@@H](c3ccc(Br)cc3)[C@@H]12 95581025 ARUGHFSORVZSOH-ZJUUUORDSA-N 438.288 2.414 0 1 IEAF O=C(O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]2N1C(=O)Cc1cccnc1 95866644 TWQFPVLWTLDLMI-LBVMUVSTSA-N 449.507 2.018 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NC3CCCCC3)N(C(=O)C3CC3)[C@@H]21 95881307 MHONVRYKNSQYGO-UOJGFIHCSA-N 439.556 2.231 0 1 IEAF Cn1c(=O)c(C(=O)NC2(CO)CCCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21 103099618 YUXVWYIJHBNXND-UHFFFAOYSA-N 425.460 2.404 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(Nc4cccc(-n5cccn5)c4)nc23)N1 145509463 SSKYEIYRCQPTEB-MFOYZWKCSA-N 441.455 2.413 0 1 IEAF O=C(N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)C1(O)CCC1 261183415 WPDISOIHGGRFRZ-WGSAOQKQSA-N 428.577 2.119 0 1 IEAF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(NCc2ccccc2Br)c1OC 587942009 YABBSDRSLVSGFT-LBPRGKRZSA-N 427.251 2.440 0 1 IEAF COC(=O)[C@@H](CC(=O)O)c1cc(O)n(-c2cnc(Cc3ccc(F)cc3)nc2)c1OC 587947668 ZYVIKIVGVZIABK-INIZCTEOSA-N 429.404 2.443 0 1 IEAF Cc1cccc2c1[C@H]([C@@H](F)[C@H](O)[C@H](O)[C@H](C)O)N(C(=O)OC(C)(C)C)[C@@H](CC(=O)O)C2 963915708 OTKFUKUSSUBWRW-PRVXCRLYSA-N 441.496 2.113 0 1 IEAF O=C(Oc1cccc(N2CCS(=O)(=O)CC2)c1)N1CCC(O)(c2ccccc2)CC1 1857540586 OLZGJBDEKZPDQO-UHFFFAOYSA-N 430.526 2.404 0 1 IEAF NS(=O)(=O)c1ccc(C(=O)N2CCC(O)(c3ccc(Br)cc3)CC2)cc1 1857601462 ZQLLUFSMXSIJQC-UHFFFAOYSA-N 439.331 2.220 0 1 IEAF C[C@@H]1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)[C@H](CC(F)(F)F)C(=O)N1 6745472 WYOFKNBIYMAHRL-XDMRBOTDSA-N 425.373 2.422 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@H]2C(=O)N[C@@H](C)CO)c1 82208105 IFZMBKLJAHITIY-LRQRDZAKSA-N 448.560 2.381 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(C(=O)CC)[C@@H](C(=O)NCCc2ccccc2)[C@@H]1CO 100140329 VKDPKYOTEWZCDH-LCQNSPIESA-N 449.551 2.141 0 1 IEAF CS(=O)(=O)n1cc2c(n1)CN([C@H]1CCS[C@H](c3cc(F)ccc3F)[C@@H](N)C1)C2 142726491 PDTMGCHVHVHPJV-QANKJYHBSA-N 428.530 2.249 0 1 IEAF CCC(CC)(NC(=O)c1ccc(N2CC(F)(F)C2=O)c(OCC2CC2)n1)C(=O)OC 150079219 PGRHDYVHVBUKCR-UHFFFAOYSA-N 425.432 2.314 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cc(F)cc(Cl)c4)nc23)N1 205045974 LXKKZZPMFXSOTD-RZNTYIFUSA-N 442.842 2.284 0 1 IEAF O=C1[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2ccc(Cl)nn2)CC1 261179748 VUPXZFYWVQJPTN-OPLYSGQSSA-N 441.963 2.085 0 1 IEAF CC(C)(C(=O)NCc1ccccc1)[C@H]1C(=O)Nc2cccc(C(=O)NC3CC3)c2NC1=O 299835018 VAYJMDAGCYKJRU-SFHVURJKSA-N 434.496 2.428 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@H](c3ccccc3OCc3ccccn3)N2C(=O)[C@@H]2CCCN12 963217247 PJBGTVFWQIMLBD-IPJJNNNSSA-N 429.480 2.231 0 1 IEAF Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]1CCO[C@@H]1O)O2 27215494 WPHHUDOBVBINRM-LOUMEOBWSA-N 448.560 2.156 0 1 IEAF CC(C)N1N=Cc2ccccc2[C@@H](NC(=O)[C@H](C)NC(=O)Cc2cc(F)cc(F)c2)C1=O 28899722 SHAVRERCIGSECC-LHSJRXKWSA-N 442.466 2.454 0 1 IEAF COc1cccc(CN(c2c(Cl)c(Cl)cc3[nH]c(=O)c(=O)[nH]c23)S(C)(=O)=O)c1 28954093 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O=C(Nc1ccc(N2S(=O)(=O)c3ccccc3S2(=O)=O)cc1)c1cccc(F)n1 73156746 CODVTIMDGLQNFG-UHFFFAOYSA-N 433.442 2.371 0 1 IEAF CCC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NC1CCC1 95879241 CDVDSQUIKQLDTK-PJIZGREPSA-N 439.556 2.375 0 1 IEAF O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)Cc2ccccc2)[C@H](CO)O1)C1CCCCC1 95903987 PJLYZSQZMHURAL-HKBOAZHASA-N 438.590 2.101 0 1 IEAF CCc1ocnc1C(=O)Nc1n[nH]c2c1CN(C(=O)N1C[C@@H](C)N(C)C[C@@H]1C)C2(C)C 114182430 KZJUNEIRFOYZSF-OLZOCXBDSA-N 429.525 2.408 0 1 IEAF CC(=O)Nc1cccc(Nc2cc(NCC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c1 205013100 IHMGHVQNRLYZDW-IDUWFGFVSA-N 446.471 2.434 0 1 IEAF CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3c(c2C)CCCC3)cc1 214200190 MOGHJDHJWKXNQR-RTJMFUJLSA-N 442.552 2.378 0 1 IEAF CCOC(=O)c1ccc2nc([C@H](NS(=O)(=O)c3ccc(OC)cc3)[C@H](C)O)[nH]c2c1 586934228 DCANERUEUNCBKH-KPZWWZAWSA-N 433.486 2.149 0 1 IEAF COCC(=O)Cc1nc2ccc(C(=O)Nc3ccc(CCN4CCN(C)CC4)cc3)cc2[nH]1 587562757 FKBWXWUENJXZAJ-UHFFFAOYSA-N 449.555 2.363 0 1 IEAF CC(C)(O)[C@@H]1Cc2c(cc3oc([C@@H](O)CCNC(=N)N)cc(=O)c3c2OC2CCCC2)O1 2356385657 UASIINCIPLHWSN-LIRRHRJNSA-N 445.516 2.095 0 1 IEAF CS(=O)(=O)c1ccc(OC[C@@]2(CNCc3cccc(Cl)c3)C[C@H](O)[C@H](O)C2)cc1 2356421559 NSTSSPQPBHWJIL-WKCHPHFGSA-N 439.961 2.414 0 1 IEAF CC[C@@H]1CCCCCC[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](NC)[C@@H]2O)[C@H](C)C(=O)NCCC1 2356492118 XKCKFIWDRHTTCA-BMULVHPYSA-N 428.614 2.339 0 1 IEAF COc1cc2[nH]c(=O)n(CCC(=O)N3CC=C(c4ccccc4)CC3)c(=O)c2cc1OC 4792308 DYGXSSLTPYOODR-UHFFFAOYSA-N 435.480 2.413 0 3 IEAF CCCN(C)[C@@H]1CN(Cc2cn(Cc3cccc(C(F)(F)F)c3)nn2)S(=O)(=O)C1 96020968 FYBHVRBTLZYPLP-QGZVFWFLSA-N 431.484 2.201 0 3 IEAF Cc1nc(C)c(C(=O)[C@@H]2C(=O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2)s1 1788433 PLHQCDFNWIKDFR-MOPGFXCFSA-N 441.553 2.434 0 1 IEAF CCOc1ccc(-n2nc(C(=O)NCCCN3CCOCC3)c3ccccc3c2=O)cc1 20768781 BJPIDVIOEBJELQ-UHFFFAOYSA-N 436.512 2.237 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(C)=O)ccc2OC[C@H](C)N(C(=O)C2CC2)C[C@@H]1C 95689715 OTZAREIZRHIYQA-GXZWQRSESA-N 431.533 2.388 0 1 IEAF COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]2N1Cc1ccccn1 95881432 HHLLHWFWRSRSTM-YXPKMTABSA-N 431.492 2.247 0 1 IEAF CC(C)(O)CNC(=O)c1ncccc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 143917838 TXKQULGCDNFECB-UHFFFAOYSA-N 448.487 2.036 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 299883188 QXRXMVDUCZEQRF-OZOXKJRCSA-N 442.512 2.001 0 1 IEAF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(S(C)(=O)=O)cc2[nH]1 587127723 BRQSMAOAPAGSQJ-UHFFFAOYSA-N 439.419 2.390 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(N4CCN(C)CC4)c(S(C)(=O)=O)c1)[C@@H](C2)C3=O 587450785 UUMDCPNRPPLFCD-GAJHUEQPSA-N 442.537 2.339 0 1 IEAF COC(=O)c1nnn(-c2c(C)[nH]c3c2c(Br)cc2n[nH]cc23)c1C(=O)OC 587623316 PZMXPYNRSNKPHL-UHFFFAOYSA-N 433.222 2.269 0 1 IEAF Cc1ccnc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)C2)c1 9118735 XTSRHFNURVWBSD-INIZCTEOSA-N 426.498 2.271 0 3 IEAF CCOc1ccccc1C1=NO[C@@H](c2ccccc2OC)[C@@H]1C(=O)NCCOCCO 4152551 MFKIPOOTRCJMDS-IRLDBZIGSA-N 428.485 2.311 0 1 IEAF COc1ccc(CNC(=O)[C@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1 20281154 ZYIICRMQGPBREN-MRXNPFEDSA-N 432.527 2.169 0 1 IEAF CCOC(=O)CCCC(=O)N1CCC2(CC1)CCN(c1ccc(C(=N)NO)cc1)C2=O 26165811 QEWFHAXBMXMOPT-UHFFFAOYSA-N 430.505 2.070 0 1 IEAF CC(C)(C)c1ccc(Cc2cc3c(cc2Cl)CO[C@]32O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 45316308 XIDXYMQKEBBXHI-AREVGRJGSA-N 448.943 2.385 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@@H]1C(C)C 82236157 MUZQNBLYKZAGJY-FPOVZHCZSA-N 444.576 2.031 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc1cncnc1)O2 95729367 CJRCUHMGBGRKJG-SIWTXCHWSA-N 425.533 2.257 0 1 IEAF C[C@H](NC(=O)[C@H]1N[C@H]2c3ccc(-c4ccncc4)c(=O)n3C[C@H]2[C@@H]1CO)c1ccccc1 95880280 MKBSCBJKWZMPPS-DEPRQGDXSA-N 430.508 2.039 0 1 IEAF CCN(C(C)=O)[C@H]1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)C1 148346765 JLLVFFJKZGLHHJ-KRWDZBQOSA-N 440.519 2.462 0 1 IEAF O=c1nc(OC[C@H]2COc3ncccc3O2)cc2n1CCc1cc(-c3cn[nH]c3)ccc1-2 220186514 FTLBTSGOJLLTEL-KRWDZBQOSA-N 429.436 2.470 0 1 IEAF C[C@@H]1C[C@@]2(C)CC(=O)[C@H]1[C@@H]1C(=O)N(CCCCN3CCN(c4ccccn4)CC3)C(=O)[C@H]12 254113680 HPMLNBIUWWBSTD-BVMUCEKZSA-N 438.572 2.220 0 1 IEAF O=C1CCCN1CCOc1ccc(C(=O)N2C[C@@H](O)[C@@H](Cc3ccc4nccn4c3)C2)cc1 618016983 PMILQYLLUGCAKK-RBBKRZOGSA-N 448.523 2.011 0 1 IEAF O=C(O)CCC(=O)N[C@@H]1CCN2C(=O)c3cc(C=Cc4ccccc4)ccc3NC(=O)[C@H]12 2356599263 SBXZXGHWTXWRSE-KNQAVFIVSA-N 433.464 2.373 0 1 IEAF CC(=O)OC[C@H]1O[C@H](O[C@]2(C)C=C[C@H](C(C)C)CCC(C)=CCC2)[C@@H](O)[C@H](O)[C@H]1O 2356622800 MQIPEAYACPPTOK-JGVOIYKNSA-N 426.550 2.481 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](C=C(C)C)N1C(=O)[C@@H]2CCCN2C(=O)[C@]1(O)[C@@H]3OC 13430437 DARSEBUZHJPBHI-SLHLXQHXSA-N 425.485 2.407 0 1 IEAF biogenic C[C@@H]1C(=O)N(C(=O)C2CC2)[C@H]2CCN(C(=O)[C@@H]3CCCN3C(=O)c3ccc(Cl)cc3)[C@H]12 13527851 QEQKMVGFWFXPJN-ZQEOTTOMSA-N 443.931 2.329 0 1 IEAF CCO[C@H]1OC(=O)C[C@@H]1NC(=O)[C@@H](CC(=O)NCCc1cccc2ncccc12)C(C)C 58581041 MGFZCYVDUALRQU-WXVUKLJWSA-N 441.528 2.350 0 1 IEAF CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(F)cccc3F)C[C@@H]3C[C@@H]3C2)CC1 95581212 NBSHHMOAKVDMBL-GWTOYCKXSA-N 441.544 2.221 0 1 IEAF CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@@H]1C 95688239 ANPLQDSRLDYPOL-TWOQFEAHSA-N 449.548 2.014 0 1 IEAF O=C(NC1CCC1)C(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1 113492743 DXXMJCZGYYBPTF-FGZHOGPDSA-N 447.535 2.143 0 1 IEAF CC(C)CCN(Cc1ncc(Cl)n1C)[C@@H]1C(=O)NC(=O)N(Cc2ccccc2)[C@H]1N 207971943 KMYOCMNEWRYHOR-RBUKOAKNSA-N 432.956 2.327 0 1 IEAF CN1C[C@H]2C[C@H]1CN2c1nc2c(cc1F)c(=O)c(C(=O)O)cn2-c1ccc(F)cc1F 299873008 UOUITEHJHGABTE-NWDGAFQWSA-N 430.386 2.394 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1cc(C(F)(F)F)nn1S(=O)(=O)N(C)C)[C@@H](C2)C3=O 587423653 URKKMHLNFVBGGQ-MGPLVRAMSA-N 431.392 2.054 0 1 IEAF NS(=O)(=O)c1cccc(Nc2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)c1 1772624690 STXCPEAJNNAAMI-UHFFFAOYSA-N 426.502 2.448 0 1 IEAF CC1(C)O[C@@H]2[C@H](CO)O[C@@H]3[C@]2(O1)C(=O)N1c2ccccc2C(=O)[C@@]31c1c[nH]c2ccccc12 2356747646 KRWUDKFCELFAOW-YXXKPLBDSA-N 446.459 2.256 0 1 IEAF COc1cc2c(=O)n(-c3ccc(C)cc3)c(=O)n(CC(=O)Nc3cc(C)n[nH]3)c2cc1OC 9599441 UWRZEZVTCUURQH-UHFFFAOYSA-N 449.467 2.148 0 1 IEAF CC(=O)OCC1=C(C(=O)OC(c2ccccc2)c2ccccc2)N2C(=O)[C@@H](N)[C@@H]2SC1 13347461 SYPOLUBDFBZUAI-GCJKJVERSA-N 438.505 2.379 0 1 IEAF CC(=O)N[C@@H](C(=O)N1CCC[C@@H]1[P@](=O)(O)C[C@@H](Cc1ccccc1)C(=O)O)C(C)C 14976239 SEUJXYJXXTVJLF-CEXWTWQISA-N 438.461 2.310 0 1 IEAF O=C([C@@H]1C[C@H](N2CCN(c3ncc(Cl)c4ccccc34)CC2)CN1)N1CCSC1 22453863 OMOSBUJVGWHCLJ-KXBFYZLASA-N 431.993 2.274 0 1 IEAF CNc1nc(Cl)nc2c1ncn2C[C@@H](COC(C)=O)COC(=O)Cc1ccccc1 27637715 KLANBQIWFUPEHK-HNNXBMFYSA-N 431.880 2.487 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2cc(OC)c(O)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 29207802 DQKCMIBTTHQHCM-MGNXDGSBSA-N 446.452 2.105 0 1 IEAF C[C@]12C[C@H](Cl)[C@@]3(Cl)[C@@H](C[C@H](F)C4=CC(=O)C=C[C@@]43C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO 31284397 VTWKPILBIUBMDS-OTJLYDAYSA-N 447.330 2.084 0 1 IEAF biogenic CCOC(=O)CN1CCN(c2ncc(C)c(NCc3cccc(OC)c3OC)n2)CC1 82204404 AVDYFUKPFONNOI-UHFFFAOYSA-N 429.521 2.099 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@H]2N1Cc1ccncc1)c1ccccc1 95880095 LPMNTJLSFUNIDO-WVJYQVJNSA-N 444.535 2.285 0 1 IEAF C[C@H](c1nnc(CNS(N)(=O)=O)o1)c1nc2ccc(-c3ccc(F)nc3)cc2s1 218115110 KJGHBYXPLPQOJC-SECBINFHSA-N 434.478 2.325 0 1 IEAF COc1ccc([C@@H]2C3=C(COC3=O)N(CCO)c3cc(OC)c(OC)cc32)cc1OC 299829269 ULOSGPGJLRSBQS-NRFANRHFSA-N 427.453 2.476 0 1 IEAF C[C@@](N)(c1ccc(S(=O)(=O)O)cc1)c1nc2cc(I)cnc2[nH]1 586960507 YLSTTYFQLGYOON-CQSZACIVSA-N 444.254 2.031 0 1 IEAF COC[C@H](NC(=O)C1(N)CCN(c2ncnc(N)c2Cl)CC1)c1ccc(Cl)cc1 1772629748 FVOXEQMQWIMPRE-AWEZNQCLSA-N 439.347 2.167 0 1 IEAF O=C(NCCCN1CCCCCC1)c1ccc2c(c1)NC(=O)[C@H](N1CCOCC1)S2 2941202 DNEQSWPVLQJHOO-JOCHJYFZSA-N 432.590 2.385 0 3 IEAF CC(C)(C)NC(=O)CN(C(=O)CNC(=O)c1cccs1)c1ccc2c(c1)OCCO2 8670353 GLMFCWSPNXTLFX-UHFFFAOYSA-N 431.514 2.197 0 3 IEAF COC(=O)[C@@H]1CN(Cc2ccc(OC)cc2)CCS(=O)(=O)N1Cc1ccc(C)cc1 96020397 JOWAFMYLEWHMSV-NRFANRHFSA-N 432.542 2.193 0 3 IEAF C/C=C/[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 26399928 FMQLAOUMABGLDL-WRFKIARRSA-N 428.533 2.385 0 1 IEAF CCC[C@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@@H]1C(C)C 82166727 PMJKJQNGEBSNBR-RTWAWAEBSA-N 444.576 2.031 0 1 IEAF CCC[C@]1(CC(=O)c2cc(CC(C)C)c(O)c(C=O)c2O)C[C@H](O)[C@]2(O[C@H]2C)[C@H](O)O1 85596538 USPUVZJTOISHET-LSZRXMSESA-N 436.501 2.478 0 1 IEAF biogenic O=C(N[C@@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@H]1CO)c1ccccc1 95677199 AVWHUTQXLFJWQV-ZLNRFVROSA-N 437.540 2.064 0 1 IEAF C/C=C(\C)C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)N1CC[C@@H](NC(C)=O)C1 299886456 XFAZEUCOKRLPHX-CJMUJGAMSA-N 441.572 2.309 0 1 IEAF CC[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc(I)c(C)n1 587185398 SRWXVWIUAIWLDA-ZDUSSCGKSA-N 445.286 2.319 0 1 IEAF N=c1c(I)c[nH]cc1[C@H]1N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963240212 YIXXDGPQYWMOEB-WBVHZDCISA-N 446.248 2.335 0 1 IEAF COC(=O)C1CCN(C(=O)[C@@H]2CN3CC[C@H]2C[C@H]3Cn2cc(-c3ccccc3)nn2)CC1 2356874352 YVKFEEAYCBHIKW-PCCBWWKXSA-N 437.544 2.067 0 1 IEAF Cc1ccc(NC(=O)c2sc3ncn(CC(=O)N4CCOCC4)c(=O)c3c2C)cc1F 2912127 WHIYUTPQAZERRM-UHFFFAOYSA-N 444.488 2.325 0 1 IEAF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(N)=O 5542131 BGVHOYOBTXOOIH-SJORKVTESA-N 435.521 2.029 0 1 IEAF COc1cccc2c(=O)n([C@H](C)[C@](O)(Cn3cncn3)c3ccc(F)cc3F)cnc12 29548868 MCNLCNONSVYAFK-LRTDBIEQSA-N 427.411 2.424 0 1 IEAF COCC(=O)Nc1ccc2c(c1)OC[C@@H](C)N(CC1CC1)C[C@@H](C)[C@H](OC)CN(C)C2=O 95692980 MDBZRSBKDCCZHT-DRSNIGMVSA-N 447.576 2.488 0 1 IEAF C[C@H]1CN([C@@H](C)CO)C(=O)Cc2cc(NC(=O)c3ccncc3)ccc2O[C@@H]1CN(C)C 95832537 DDPBTFKHGDBZAF-PNLZDCPESA-N 440.544 2.045 0 1 IEAF O=c1[nH]c(CSc2nc3c(-c4ccc(Cl)cc4)cnn3c(=O)[nH]2)c(Cl)c(=O)[nH]1 103288866 XSJLIPHUDYQNCU-UHFFFAOYSA-N 437.268 2.060 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@H]2[C@@H]1C(=O)O 261145712 NULRTLVWXFIIBM-RACLHMPKSA-N 444.528 2.157 0 1 IEAF CN1C(=O)[C@@H]2[C@H](C1=O)[C@@]13C(=C[C@H]2[C@H]2C(=O)N(C)C(=O)[C@@H]21)c1ccccc1N3c1ccccc1 299847246 ZCADSLFEKHCKLE-QZQHTEGISA-N 439.471 2.066 0 1 IEAF CN(C)C(=O)c1ccc2c(c1)[C@H]([C@@H]1CCCN(C(=O)CNC(=O)OC(C)(C)C)C1)NCC2 962928794 SVQIMLICTVFCSC-NQIIRXRSSA-N 444.576 2.339 0 1 IEAF CC(C)=C[C@@H]1[C@@H](C(=O)OC[C@H]2COCCOCCOCCOCCOCCO2)C1(C)C 1772570209 CRKWURLHDLYSHE-NJYVYQBISA-N 444.565 2.250 0 1 IEAF N=c1nc(O)c2c(Cc3ccc(C(=O)Nc4cc(C(=O)O)ccc4C(=O)O)cc3)c[nH]c2[nH]1 1857605074 UKZJDHHDTGYQBX-UHFFFAOYSA-N 447.407 2.316 0 1 IEAF CNc1cnc(-c2ccc(F)cc2)n(CC(=O)N[C@H](C(=O)C(F)(F)F)C(C)C)c1=O 13516103 LIRGOEPJYUZGAZ-HNNXBMFYSA-N 428.386 2.363 0 1 IEAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC(C(=O)N[C@H](C(=O)O)c2ccccc2)CC1 15956075 VLUBABAGEKOXMU-UNMCSNQZSA-N 448.523 2.218 0 1 IEAF biogenic CC1(N)CN(c2c(F)c(N)c3c(=O)c(C(=O)O)cn(-c4ccc(F)cc4F)c3c2F)C1 27413107 AGMCTXIADALZTG-UHFFFAOYSA-N 436.365 2.365 0 1 IEAF CCOC(=O)N1CCC(Oc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1 71329701 AYMXTWMJUAASDF-UHFFFAOYSA-N 445.501 2.219 0 1 IEAF COc1ccc(-c2csc(N3C[C@H](O)C[C@H]3C(=O)NC[C@@H]3CCCO3)n2)cc1OC 82194915 VBRLRGVQIGEWOV-VYDXJSESSA-N 433.530 2.062 0 1 IEAF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)C(C)C)C(=O)[C@H](C)CCC[C@](C)(O)[C@@H]2OC(=O)C(C)C 85942543 IDYIWKGLGJZZOR-KTZCRRHXSA-N 438.517 2.360 0 1 IEAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NS(C)(=O)=O)ccc2OC[C@H]1C 95690662 GJWLNKOJEVXCCA-YRNRMSPPSA-N 441.594 2.274 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)NC[C@@H]1C 95693680 BIFUFKYMXIZDEA-MRUHUIDDSA-N 433.549 2.145 0 1 IEAF CN1[C@@H]2c3ccc(-c4cccnc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)NCC1CCCCC1 95881711 ODVRBXJNMOGDSF-YXPKMTABSA-N 436.556 2.200 0 1 IEAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](C)(c2cc3c(=O)n(C)c(=O)n(C)c3n2C)N1 587757563 OSTSFGLARHJGDK-CFMSYZGJSA-N 449.324 2.275 0 1 IEAF CN(C[C@@H]1NC(=O)[C@@H]2SCC[C@H]2N1)C(=O)c1cc(-c2ccccn2)nc2ccccc12 618014238 KDSNSFMOIDUHQD-HLAWJBBLSA-N 433.537 2.288 0 1 IEAF COc1ccc(C(=O)[C@@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C)cc2)cc1 1780938 WSHCKOLBMMLRCW-YADHBBJMSA-N 436.508 2.287 0 1 IEAF CC(=O)Nc1ccc(N2CCN(C(=O)COc3ccc4[nH]cc(CCN)c4c3)CC2)cc1 13604984 KVIJKSNSHKOAJQ-UHFFFAOYSA-N 435.528 2.355 0 1 IEAF O=C(N[C@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@@H]1O5)c1ccccn1 87723659 NHRWXABMYGAAGY-JGGASOQJSA-N 447.535 2.150 0 1 IEAF O=C1O[C@@H](CNS(=O)(=O)c2cccs2)CN1c1ccc(N2CCOCC2)c(F)c1 95592041 GMEBHGQLSVPSIQ-AWEZNQCLSA-N 441.506 2.028 0 1 IEAF NC[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1 206937790 VCQXACIYKXUTSF-MRXNPFEDSA-N 448.453 2.170 0 1 IEAF COc1cccc(C(=O)N2CCN(C(=O)COc3cc(C)c(N)c(C)c3)CC2)c1OC 653834579 YILNDDKBZNDBKQ-UHFFFAOYSA-N 427.501 2.266 0 1 IEAF O=C(NC[C@@H]1O[C@@H](Cc2cc(-c3ccccn3)on2)CC[C@@H]1O)c1ccc2c(c1)OCO2 2356471435 PHYWOKBIYYHKLF-NRJQMVOHSA-N 437.452 2.346 0 1 IEAF COc1cccc(C(=O)NC[C@@]2(COc3ccc(C(F)(F)F)cn3)C[C@H](O)[C@H](O)C2)c1 2356643301 OEOYIOONMWKXOW-YRWFTTLQSA-N 440.418 2.420 0 1 IEAF CN[C@@H]1C[C@H](Oc2cc(C)cc3cnc4c(c23)C(=O)c2cccc(O)c2C4=O)O[C@@H](C)[C@@H]1O 15063218 UBHGSZOGZALUQM-MNCXDLSSSA-N 448.475 2.487 0 1 IEAF biogenic COc1ccc(C(=N)O)cc1N1C(=O)C[C@@H](NC2CCN(Cc3ccccc3)CC2)C1=O 34858515 MJIKSPRZGVEJKT-LJQANCHMSA-N 436.512 2.465 0 1 IEAF OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccco4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O 66252332 UIGXMDHXJHVCRH-QSWMPLQWSA-N 437.901 2.162 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCC3CCCCC3)C[C@@H]2C(=O)N[C@H](C)CO)c1 82208112 IFZMBKLJAHITIY-LKUPVBHCSA-N 448.560 2.381 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@H]1C 95688366 YTFMHZRWJRHUBM-YVHKJVDXSA-N 447.576 2.488 0 1 IEAF O=C(c1cccc(F)c1)N1CC2(C1)[C@H](c1ccccc1)[C@@H](CO)N2C(=O)C1CCOCC1 95794850 QAHDLPCOZPWXEM-FGZHOGPDSA-N 438.499 2.434 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1 95818638 MEJUTVOAQGGYHA-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF C[C@@H](NC(=O)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)C1CCCC1)c1ccccc1 95879112 UYRQGRGNSINDSR-HFXWTFOZSA-N 449.551 2.406 0 1 IEAF CCN1[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCCC1)[C@@H]2CO 95880924 ISOBHNRXYZVVJN-LGKPFJOYSA-N 436.556 2.343 0 1 IEAF COCC(=O)Nc1ccc2c(c1)[C@H]1C[C@@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@H]1O2 95899334 GUFQTAZGDROFPH-IRLNJFMJSA-N 432.517 2.105 0 1 IEAF CS[C@@H]1C(=O)N(C)[C@](Cc2ccc(OC/C=C(\C)C(=O)O)cc2)(SC)C(=O)N1C 147344255 YVJJNCGPFXDJFU-GFAXEHQMSA-N 438.571 2.318 0 1 IEAF COc1ccc([C@@]2(CNC(=O)CCC(=O)O)Oc3cc(OC)cc4c3C(=O)[C@H]2C4)cc1 587426768 AYWRTXZZZADSCC-UZUQRXQVSA-N 425.437 2.328 0 1 IEAF COc1nc(N)nc(N2CCCC2)c1[C@H]1c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N12 962634269 IAVVTXHLQNWVRN-KOSHJBKYSA-N 448.527 2.404 0 1 IEAF COCCc1nccc(C[C@@H]2[C@H](NCc3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2CO)n1 2356395095 KTOQDAWLCGBOMS-VNTMZGSJSA-N 439.478 2.375 0 1 IEAF CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)OC[C@H](O)CO 43771981 RJXVYMMSQBYEHN-SDTVLRMPSA-N 426.550 2.063 0 1 IEAF endogenous,in-man CCCCCCN(CCCCCC)c1ncnc2c1cnn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998583 ILIXLXAQXCIVEJ-JPAWQOSXSA-N 435.569 2.405 0 1 IEAF O=c1[nH]ccc2c3cnc(Nc4ccc(N5CCNCC5)nn4)nc3n(C3CCCC3)c12 117683119 VRJCUZFFVQHOOI-UHFFFAOYSA-N 431.504 2.331 0 1 IEAF Cc1nc([C@](C)(CS(C)(=O)=O)NC(=O)c2cc(O[C@H](C)CF)c(C3CC3)cn2)no1 146294870 JPBYGKVFMVFROO-WYRIXSBYSA-N 440.497 2.077 0 1 IEAF Cn1cc(CCN2C[C@H](N3Cc4cn[nH]c4C3)C[C@H](N)[C@@H]2c2cc(F)ccc2F)cn1 169701996 LDCZXUMBEQIQKN-AGHHOFFYSA-N 427.503 2.123 0 1 IEAF C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(C)(F)F)cc32)[C@@H](CN2CCCC2=O)CN1 221258679 YCUQOCWFEFYYDO-HZPDHXFCSA-N 449.546 2.102 0 1 IEAF CCN1C[C@H](OC(=O)c2ccccc2N2C(=O)C[C@H](C)C2=O)[C@H]2C[C@H]1[C@@H]1OC(C)(C)O[C@@H]12 254114854 KIWMQFVGCTUQCE-KDOZFHKYSA-N 442.512 2.356 0 1 IEAF COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC(C)=O 2356477717 FPGSRCHTAOFUND-OOBDGNPPSA-N 442.420 2.326 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H](CO)[C@H]2N(C(C)=O)c1cc(OC)c(OC)cc13 2356485127 UEPZAGOCXMHAIE-HZCFWTAGSA-N 428.529 2.156 0 1 IEAF CCOP(=O)(OCC)C(=O)OC[C@@H]1O[C@@H](n2ccc(NC(C)=O)nc2=O)CS1 26278147 BXABQRNUCDYXOX-CHWSQXEVSA-N 435.395 2.193 0 1 IEAF C[C@H](O)C(=O)N1CC=C(c2c(F)cc(N3C[C@H](COc4ccon4)OC3=O)cc2F)CC1 27412738 TWPUKHJACMUQAZ-SWLSCSKDSA-N 449.410 2.354 0 1 IEAF CCCCOc1nc(N2CCNCC2)nc(N2CCN(c3ccc(Cl)cc3)CC2)n1 28010381 BTNHFOMKAILLGR-UHFFFAOYSA-N 431.972 2.440 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1C(=O)[C@H]2CCCC[C@H]2[C@H]1C(=O)O 36153334 NULRTLVWXFIIBM-ZDNSCYFHSA-N 444.528 2.157 0 1 IEAF O=C1Cc2cc(S(=O)(=O)N3CCN(c4ccc(Br)cc4)CC3)ccc2N1 64734943 SFQXNMTVWHBXHN-UHFFFAOYSA-N 436.331 2.455 0 1 IEAF N[C@@H](CC(=O)N1CCS[C@@H]1C(=O)NCc1ccoc1)Cc1cc(F)c(F)cc1F 66066300 WNARSKYZQJFIEA-BFUOFWGJSA-N 427.448 2.175 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc(N3CCOCC3)c3c(n2)[C@](C)(CCO)OC3)cc1 71318723 MMRPGKGGMCYSNW-QFIPXVFZSA-N 427.505 2.249 0 1 IEAF Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2ccc(CN3CCOCC3)cc2)c1 114077350 KKNGSIWKXILPAS-UHFFFAOYSA-N 434.544 2.288 0 1 IEAF CC1=C(c2cc[n+]([O-])cc2)S(=O)(=O)N(Cc2ccc(C(=O)N3CCCCC3)cc2)C1=O 299824018 DKMRLGPOGSVBFW-UHFFFAOYSA-N 441.509 2.049 0 1 IEAF CC(=O)N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)c1ccc(Br)cc1 586985127 KLNCATDGRSAEPA-HNNXBMFYSA-N 437.319 2.393 0 1 IEAF NS(=O)(=O)c1ccc2nc(Cc3csc(NC(=O)c4cccc(O)c4)n3)[nH]c2c1 587020163 ZMAQCWOTZXVGNX-UHFFFAOYSA-N 429.483 2.216 0 1 IEAF CC(=O)Nc1cc(F)ccc1-c1csc(-n2c(O)c(CC(=O)O)c(CC(=O)O)c2O)n1 587945745 QHLYURRZOFLRKZ-UHFFFAOYSA-N 449.416 2.364 0 1 IEAF Cc1cc(C)nc(OC2CN([C@@H](C)c3nc(O)c4cnn(C5CCOCC5)c4n3)C2)n1 1772576448 XPFQKLCMFBPHFA-AWEZNQCLSA-N 425.493 2.114 0 1 IEAF Cc1nc(=O)c2c(CO)nc(-c3c(C)nn(C)c3-c3ccc(C(F)(F)F)c(CO)c3)n2[nH]1 1772586569 YNYLXMWTWNMPIW-UHFFFAOYSA-N 448.405 2.105 0 1 IEAF O=C(O)[C@H]1CCCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)n1c(=O)[nH]c2ccccc2c1=O 2138163 QUVCPGXJUQZCAW-UXHICEINSA-N 446.463 2.031 0 1 IEAF biogenic CN1CCN(NC(=O)c2ccc(S(=O)(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)cc2)CC1 3168719 FUGXMGBXTRTRHG-AVRDEDQJSA-N 434.606 2.168 0 1 IEAF COc1ccc([C@@H]2c3c(n(C)c(=O)n(C)c3=O)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1OC 18098981 KSCDSUXUJDYGRH-ZWKOTPCHSA-N 425.485 2.325 0 1 IEAF O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)C(=O)[C@@H](Cc2cccc(Cl)c2)CN1 28894261 SVAUXVFRMUNISS-ZDUSSCGKSA-N 427.309 2.499 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2ccccc2NC(=O)[C@H]1[C@@H](C)CC 82235469 IYEMEHUPTVQDQS-DZFGPLHGSA-N 444.576 2.113 0 1 IEAF CCCNC(=O)C[C@H]1CC[C@@H]2[C@H](COC[C@@H](O)CN2C(=O)Nc2cccc(Cl)c2)O1 95886252 AMOSMMFFMRAXPR-MANSERQUSA-N 439.940 2.398 0 1 IEAF CCOCC[C@@]1(Oc2ccc(Oc3ccc(Cl)cc3)cc2)C(=O)NC(=O)[C@@H](N)C1=O 101013240 BGEFVHSKSARWDE-UWJYYQICSA-N 432.860 2.229 0 1 IEAF C[C@]1(c2nc(NC(=O)c3ncc(C(F)(F)F)nc3N)ccc2F)N=C(N)OCC1(F)F 207557642 WVFHQWCQXOAIHG-CQSZACIVSA-N 449.315 2.059 0 1 IEAF O=C(Nc1cc2[nH]nc(OCC(F)F)c2cn1)N[C@H]1CN(CCO)C[C@@H]1c1ccccc1 209339469 INTAOHFMXGDEFB-WBVHZDCISA-N 446.458 2.184 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCO[C@H]2Cn2cc(-c3ccc(F)cc3)cn2)n1 210603032 UGKCCJQAMWXAHJ-FQEVSTJZSA-N 433.447 2.472 0 1 IEAF N=c1[nH]cc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)nc-2[nH]1 587172032 CTXDOPZGVWMCCV-LBPRGKRZSA-N 448.506 2.491 0 1 IEAF CCOc1cc(-c2cccc(F)c2)nn1-c1ccc(S(=O)(=O)N2CCN(C)CC2)cn1 587871793 DINBERQIEZLMSO-UHFFFAOYSA-N 445.520 2.408 0 1 IEAF COc1ccc2nc(C[C@@H]3C[C@H](C(C)C)[C@@H](CNC(=O)Cn4cnnn4)C=C3C)[nH]c2n1 2356344957 GTVHKQLHKYKINE-GVDBMIGSSA-N 438.536 2.167 0 1 IEAF CC(=O)Nc1cccc(C[C@H]2NC(=O)N(CCc3ccc4[nH]cc(CCN)c4c3)C2=O)c1 13603541 KFYTUPNCMHZUSF-JOCHJYFZSA-N 433.512 2.333 0 1 IEAF O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccc(N3CCOCC3)nn2)CC1 20285819 UBFNUNBPFPFRPZ-UHFFFAOYSA-N 434.544 2.370 0 1 IEAF CCCNC(=S)NCCCNCCCCCCNCCCNC(=S)NCCC 72105906 PLXYGPXQPHJILN-UHFFFAOYSA-N 432.748 2.254 0 1 IEAF Cc1nc(CN2CCN(c3c(Cl)cnc4nc(-c5cn(C)nc5C)[nH]c34)CC2)no1 95559149 ZYQKMYRXVHUATB-UHFFFAOYSA-N 427.900 2.334 0 1 IEAF O=C(c1cnccn1)N1CC(=O)N2[C@H](C1)[C@@H](c1ccc(-c3cccc(F)c3)cc1)[C@@H]2CO 95795484 RBGWWDWZZPGPAM-FUPPJEDESA-N 432.455 2.094 0 1 IEAF C[C@H](Oc1cc(C(=O)N[C@@](C)(CC(N)=O)C2CC2)ncc1C1(F)COC1)C(F)(F)F 146516083 SLMBKCIBIYWVPD-BTDLBPIBSA-N 433.402 2.380 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@H]3[C@H]4C=C[C@H]([C@H]3C2=O)[C@@H]2C[C@@H]42)cc1 299807144 UJISMJDOFFHTEW-RPZLJYRGSA-N 431.496 2.397 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CC(N)=O)c3nc4cccnc4[nH]3)cccc12 586938810 XZXGWAHGZLOQMH-MRXNPFEDSA-N 438.513 2.072 0 1 IEAF O=C(Nc1cc2[nH]nc(OC[C@H](O)C(F)(F)F)c2cn1)N[C@H](CO)c1ccccc1 1772608782 FYABYFCEOBMOIK-KGLIPLIRSA-N 425.367 2.115 0 1 IEAF COc1ccc(-c2c(C)nc3c(N4CC[C@@H](NS(C)(=O)=O)C4)cc(C)nn23)cc1OC 1911572995 LKXLWJRLYRFVNW-MRXNPFEDSA-N 445.545 2.158 0 1 IEAF O=S(=O)(NC[C@@H]1O[C@@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O)c1ccccc1 2356774470 YRFFQZOKRHBDIY-CBQOVEMMSA-N 444.509 2.477 0 1 IEAF C[C@@]1(C(=O)NS(=O)(=O)c2ccc(F)cc2F)CCN1C(=O)Cc1cc(F)ccc1F 61925738 OQJRGJABPWDYJV-IBGZPJMESA-N 444.406 2.282 0 3 IEAF CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819103 BVAULMYVOSWSBQ-SPEDKVCISA-N 430.526 2.213 0 1 IEAF CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CCC(=O)N(C)C)C(=O)CF 28569735 RKGZUGUTFRGBHD-KNBMTAEXSA-N 437.512 2.219 0 1 IEAF COc1ccc(F)c(F)c1C(=O)c1cnc(NC2CCN(S(C)(=O)=O)CC2)cc1N 72190113 NVLQAGPVZFIWNA-UHFFFAOYSA-N 440.472 2.018 0 1 IEAF investigational CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95861768 MJOLMSVGHZLLLZ-AHIWAGSCSA-N 431.455 2.407 0 1 IEAF CC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@@H]21 95881053 SNPSRHXCYNBETO-RLBLXZPPSA-N 439.556 2.328 0 1 IEAF COc1ccc(C(=O)N[C@H]2CC[C@H](O[N+](=O)[O-])CC2)cc1C(=O)NCc1cccnc1 100657881 CIBUKDIHIGMBEF-CALCHBBNSA-N 428.445 2.270 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@@H](C)O)c1 104634433 QXRXMVDUCZEQRF-LKUPVBHCSA-N 442.512 2.001 0 1 IEAF CC(=O)NCc1ccc(-c2csc(NC(=O)[C@@H]3NNC(=O)[C@H]4CCCC[C@H]43)n2)s1 618013614 XBHHHWHSSJJQGX-DVOMOZLQSA-N 433.559 2.256 0 1 IEAF O=C(CO)N1CCN(Cc2cnc3cc(Oc4ccc(-c5cc[nH]n5)cn4)ccc3c2)CC1 1772613431 UJCLDEJIIDCLMM-UHFFFAOYSA-N 444.495 2.449 0 1 IEAF COc1ccc([C@H](c2nnnn2Cc2cccs2)N2CCC(C(N)=O)CC2)c(OC)c1 1351666 FCEFASGZQIGIQW-LJQANCHMSA-N 442.545 2.087 0 3 IEAF CC(=O)N1CCc2cc(Br)cc(S(=O)(=O)NCCCN3CCCC3)c21 2456195 WWEWRCJBYWVPCG-UHFFFAOYSA-N 430.368 2.122 0 1 IEAF COc1cc2c(cc1OC)[C@@H]1C(=O)c3ccc4c(c3O[C@@H]1CO2)[C@H](O)[C@H](O)C(C)(C)O4 13436891 KANDATZVPJBSEB-FPSLLJFYSA-N 428.437 2.389 0 1 IEAF biogenic,in-vitro CC(C)C[C@H](NC(=O)COc1cccc(-c2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819211 LAWFAGGDPUZLKP-SKPFHBQLSA-N 440.496 2.013 0 1 IEAF CC(C)C[C@H](NC(=O)c1cccc2c1N[C@@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@@H]1O 27208066 SOWCNGSORKLXDE-WVTLLZAPSA-N 443.569 2.435 0 1 IEAF COc1cc(F)ccc1[C@@H]1CN(c2nc(-c3ccncc3)cc(=O)n2C)CCN1C(C)=O 34479845 SCZPQULZVKNUBV-FQEVSTJZSA-N 437.475 2.400 0 1 IEAF CC[C@H](NC(=O)[C@@H](O)CS(=O)(=O)Cc1ccccc1)C(=O)c1nc2ccccc2s1 82064849 ZJACADWPDLENNQ-RDJZCZTQSA-N 446.550 2.350 0 1 IEAF CC[C@@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cc(OC)c(OC)c(OC)c1 82144563 VPJRNQQHBBCPQH-CYBMUJFWSA-N 445.520 2.246 0 1 IEAF O=C(O)C[C@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1 95793895 BOKKRFULVUTARF-BUJNREJVSA-N 437.445 2.096 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@@H](CO)[C@@H]1O2 95901654 KRQAAGOFZVBHDO-OFYLTFBOSA-N 445.560 2.020 0 1 IEAF COC(=O)/C=C/C(=O)N[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169289883 ZHBOGKMSNKELPI-CUTKRUIRSA-N 438.524 2.055 0 1 IEAF O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4ccc(F)c(Cl)c4F)C3=O)ccc2N1 205830782 XUXUWHAAFGOLQN-NRFANRHFSA-N 449.841 2.287 0 1 IEAF C[C@@]1(c2cc(NC(=O)c3ncc(F)cc3F)ccc2F)CS(=O)(=O)C2(CC2)C(N)=N1 207719235 VYCNPKFZLDVGGK-SFHVURJKSA-N 438.431 2.285 0 1 IEAF Cc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](n3cc(-c4cc(F)cc(F)c4)nn3)[C@H]2O)cc1 1772655268 QACLTXLGBFUVST-IFLJBQAJSA-N 449.479 2.304 0 1 IEAF CCOC(=O)c1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)Cc2ccccc2)o1 1857540487 VTIOSFCWEAYMBJ-ROUUACIJSA-N 430.501 2.321 0 1 IEAF Cn1c(Cc2nn(C)c(=O)c3ccccc23)nnc1SCC(=O)c1ccc(O)cc1O 1857614042 HLHPGETZRSAFLF-UHFFFAOYSA-N 437.481 2.039 0 1 IEAF C[C@H](C(=O)N1CCOCC1)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@H]2[C@@H]1O 2356317871 XIIFBTOKVDWGPQ-SVAOELHLSA-N 443.588 2.498 0 1 IEAF Cc1cc(C)n2nc(C(=O)N3CCC[C@H](CNS(=O)(=O)c4cccs4)C3)cc2n1 12051469 PZBXQEKALWIWBJ-OAHLLOKOSA-N 433.559 2.238 0 3 IEAF COc1ccc(CC(=O)Nc2ccc(C)cc2S(=O)(=O)N2CCOCC2)cc1OC 201471848 JZOXOEJKZFZBME-UHFFFAOYSA-N 434.514 2.214 0 3 IEAF O=C(N[C@H]1COC[C@H]1NC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1 28826198 YGGDWBZARHRUFI-JKSUJKDBSA-N 443.912 2.480 0 1 IEAF Cc1nc(O)c2cc(CNc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)s3)ccc2n1 29343847 HXAMMRRSUKCSQJ-CQSZACIVSA-N 444.469 2.365 0 1 IEAF CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc(Br)s1 39034141 XJKUUOPWRWMAKT-HNNXBMFYSA-N 430.280 2.118 0 1 IEAF Nc1nc(N2CCN(C(=O)c3cccc4ccccc34)CC2)nc2nc(-c3ccco3)nn12 82154612 NZNUKYLLFGRLFO-UHFFFAOYSA-N 440.467 2.477 0 1 IEAF O=C(C[C@@H]1CC[C@@H]2NC[C@@H](O)COC[C@H]2O1)NCc1ccc(Oc2ccccc2)cc1 95887099 GATSYQQQECLMNC-HGSOSGBHSA-N 426.513 2.382 0 1 IEAF O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)CC1 101273480 GUDUKRWFEBJWIE-BZPMIXESSA-N 433.521 2.473 0 1 IEAF CN1CCN(c2nccn3c(-c4ccnc(N[C@@H](CN)c5ccccc5)n4)cnc23)CC1 169701234 FULXIRWSGMSVCW-IBGZPJMESA-N 429.532 2.050 0 1 IEAF N#Cc1cc(-c2ccnc(Nc3ccc(C(=O)NCCO)cc3)n2)cnc1N1CC[C@H](F)C1 221966393 IYUAMICJCNEZTC-SFHVURJKSA-N 447.474 2.424 0 1 IEAF CS(=O)(=O)c1ccc(-n2nnc([C@H]3CCCCN3C(=O)COc3ccccc3)n2)cc1 299856493 JCWZPTJFONKFSS-LJQANCHMSA-N 441.513 2.198 0 1 IEAF CCCCCn1cc(C(=O)NC2CCCCCC2)c(=O)n2nc(N3CCOCC3)nc12 653746424 PZXDSEKORSHOEB-UHFFFAOYSA-N 430.553 2.370 0 1 IEAF Cc1ccc(-n2nccn2)cc1C[C@@H]1COCCN1C(=O)c1ccccc1-n1nccn1 1772597856 SKTHZCLPOHWFMH-HXUWFJFHSA-N 429.484 2.240 0 1 IEAF O=C1c2c(O)c(=O)ccn2N([C@@H](c2ccccc2)c2ccc(F)c(F)c2)[C@@H]2COCCN12 1911570650 QGJKYYMJOKSGBH-UXHICEINSA-N 439.418 2.372 0 1 IEAF O=C(N[C@@H](Cc1cccnc1)C(=O)N1CCC[C@H]1C(=O)NC1CCCC1)C1CCCC1 198919966 QWBRSFBQTOCXKT-SFTDATJTSA-N 426.561 2.349 0 3 IEAF C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(=N)N)c(Cl)c1)c1ccc2c(c1)OCCO2 13489425 YTSQPORLANFMTH-LLVKDONJSA-N 431.880 2.394 0 1 IEAF CC(C)C[C@H](NC(=O)c1cccc2c1N[C@@H]1C=CC=C[C@@H]1S2)C(=O)N[C@H]1CCO[C@H]1O 36269527 SOWCNGSORKLXDE-RBIWONGKSA-N 443.569 2.435 0 1 IEAF CC(C)NC(=O)CC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC(C)C 40897588 WBUPWRCLPHHIKH-AWEZNQCLSA-N 438.377 2.470 0 1 IEAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccoc3)CC2)c(F)c1 40898018 JSGRAKJAPCWCSL-SFHVURJKSA-N 426.452 2.358 0 1 IEAF CSc1ncccc1C(=O)N1C[C@H](OCCCc2ccccc2)C[C@H]1C(=O)NCCO 82197349 CPLLUSSMWCURBX-QUCCMNQESA-N 443.569 2.145 0 1 IEAF CCOC(=O)C1=C/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 85595024 RORQQMOCYQXOLU-CXPVQLEGSA-O 427.477 2.308 0 1 IEAF biogenic,in-vitro C[C@H](NC(=O)C[C@H]1C=C[C@@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)c1ccccc1 95675628 KEJHSICNFQEVJK-FCXXMXSZSA-N 448.516 2.056 0 1 IEAF COc1cccc(-c2cnc3c(c2)C(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)C(C)=O)O3)c1 95714277 UCUKQPKVMMJLHS-VVBPWWLESA-N 441.528 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425.529 2.049 0 1 IEAF COc1ncc(F)cc1[C@H]1CCCN1c1ccn2ncc(C(=O)N[C@H]3CC[C@H](O)C3)c2n1 139670242 HREXZCUAJJCCAF-RLFYNMQTSA-N 440.479 2.257 0 1 IEAF CCOC(=O)[C@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291382 DBKSKPODNPGURY-QMTMVMCOSA-N 444.358 2.095 0 1 IEAF COCCOCCOCCO[C@H]1C=C[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5 1772570179 YUNYZPGJOLFRAP-ASDQOZNMSA-N 445.556 2.205 0 1 IEAF O=C(O)C[C@H](C(=O)O)N1C(=S)SC/C1=C1/C(=O)Nc2ccc(Br)cc21 1772632038 XGWVFNPSMDKMPF-IHHQEMEHSA-N 443.300 2.374 0 1 IEAF O=S(=O)(NC[C@@H]1O[C@H](Cc2cc(-c3cccc(O)c3)on2)CC[C@@H]1O)c1ccccc1 2356774473 YRFFQZOKRHBDIY-VCOUNFBDSA-N 444.509 2.477 0 1 IEAF CNCCNc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 95559842 UKNXIIOMLRYYFW-SFHVURJKSA-N 441.528 2.494 0 1 IEAF CN(C)C(=O)C[C@@H]1CC[C@H]2[C@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95864523 OMZRRYJSGQRHIY-QRFRQXIXSA-N 429.517 2.284 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCC)N(Cc3cccc(F)c3)[C@@H]21 100139515 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O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12)c1ccccc1)c1ccccc1 195141840 GFWCASGSHHDONA-JKJPFATMSA-N 441.487 2.242 0 1 IEAF COc1cc(O)c2c(O)c3c(cc2c1)C[C@@H](C[C@H](O)C[C@H](O)CCCCCO)OC3=O 199399062 YHQGYEAIRQPZFF-NUJGCVRESA-N 434.485 2.396 0 1 IEAF CS(=O)(=O)c1ccc(OCC2(CNCc3cccc(Cl)c3)C[C@@H](O)[C@H](O)C2)cc1 2356421560 NSTSSPQPBHWJIL-WOJBJXKFSA-N 439.961 2.414 0 1 IEAF C[C@@H]1C[C@@H](C)CN(CCCNC(=O)[C@@H]2CCCN(c3nnc(N4CCCC4=O)s3)C2)C1 3957685 JUYUFPQHYYORJK-KZNAEPCWSA-N 448.637 2.366 0 3 IEAF COc1ccccc1N(C)C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21 8611506 COHBLIWLCHUMMY-UHFFFAOYSA-N 445.497 2.051 0 1 IEAF CC[C@H](C)C(=O)C1=C2C3=COC([C@@H]4C(=O)C[C@H](O)C[C@@H]4C)=CC3=CC(=O)[C@@]2(C)OC1=O 14610754 QZPKGTSDNWWTII-BTCDZECESA-N 426.465 2.497 0 1 IEAF biogenic CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@H]1C 95687670 OHCKKWTUURNYIO-VWKPWSFCSA-N 441.532 2.165 0 1 IEAF CCC(=O)N1[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@H]1[C@@H](C(=O)N1CCCCC1)[C@@H]2CO 95880195 XADHHYZEROMXKL-ZXMXYHOLSA-N 449.551 2.428 0 1 IEAF O=C(c1nn(C2CCOCC2)c2c1[C@H](F)S(=O)(=O)c1ccccc1-2)N1CCOCC1 112943547 ZYUSCMUSHHAJHV-LJQANCHMSA-N 435.477 2.129 0 1 IEAF COC(=O)c1ccc([C@@H]2SCC(=O)N2c2ccc(N3CCNCC3)cn2)c(OC)c1 169335140 ZBVWJSDRLURNPJ-FQEVSTJZSA-N 428.514 2.065 0 1 IEAF CN(C)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4occc34)CC2)CC1 261173931 UJBLYPURSDWDKF-IYARVYRRSA-N 435.594 2.295 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cc4c(cc3[nH]2)OC(F)(F)O4)[C@H](C)O)cc1 586938251 PKRNOSWGMKUQET-XXFAHNHDSA-N 441.412 2.293 0 1 IEAF CCCCN1C(=O)NC(=O)[C@@H]2[C@@H]1N[C@@H](CN1CCC[C@H]1c1ccc(OC)cc1)N2CC 618012415 GKCROMULEXIHSS-JSXRDJHFSA-N 429.565 2.130 0 1 IEAF CN1CCN(c2ccc(Nc3ncc4c(n3)n(C3CCCC3)c(=O)c3nncn34)cc2)CC1 1857547380 ZQVCNUWZMVPRME-UHFFFAOYSA-N 445.531 2.445 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@H](O)[C@H]2O)cc1 2356286797 QHTMMJHSAKIGIG-WNRNVDISSA-N 431.432 2.270 0 1 IEAF COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H]([C@@H]3CCOC3)C[C@]21C 13607533 BZHHZFMVJDKCIW-WUOOOJDESA-N 436.501 2.071 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](N)c3cc4cc(Cl)ccc4s3)[C@@H]2SC1 29559377 IWVLHDMJLRWKLA-AHIWAGSCSA-N 437.930 2.313 0 1 IEAF OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(COC4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 59051337 JOQBUHVGWJZKND-ZQGJOIPISA-N 434.916 2.125 0 1 IEAF CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cccc(C)c2NC(=O)[C@H]1C(C)C 82236155 MUZQNBLYKZAGJY-PZJWPPBQSA-N 444.576 2.031 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)c3cc(C)on3)cc2OC[C@H](C)NC[C@@H]1C 95687929 GVLIXQUDBLNXDD-PJSUUKDQSA-N 430.505 2.329 0 1 IEAF CC(=O)N1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)NC1CCCC1)[C@@H]2CO 95879117 YDRSRMFTEKMREP-LGKPFJOYSA-N 439.556 2.375 0 1 IEAF CC[C@H](C)[C@@H]1C(=O)O[C@H]1C(=O)N[C@H]1C[C@H]1[C@H](C)[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N 96923810 SIAPJWIAEZEUML-VLRIGMPASA-N 443.588 2.180 0 1 IEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H]1CN(S(C)(=O)=O)CCO1 587866080 DULLFHPFKYAKFH-OAHLLOKOSA-N 447.435 2.268 0 1 IEAF CC=C1CN(C)CC[C@@]23C(=O)C[C@H]1[C@@H]1CO[C@@H](OC)C(=O)N(c4ccc(OC)cc42)[C@H]13 2356413502 ZCTHOTXPRNWRNQ-JHZGKGHNSA-N 426.513 2.138 0 1 IEAF CO[C@@H]1CC(=O)[C@@H]2[C@H](O)CCC[C@H](C)OC(=O)C3=C(C=CC=CC=CC(=O)O)O[C@@H]1[C@@H]32 2356447072 KZMINERHJZACPQ-VUYTVJPFSA-N 432.469 2.089 0 1 IEAF O=C(C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(C(F)(F)F)c1 199718122 MLNSRTMNTYQAPM-UHFFFAOYSA-N 426.416 2.421 0 3 IEAF O=C(O)CC[C@@H](NC(=O)c1ccc(Oc2nc3ccccc3nc2C(=O)O)cc1)C(=O)O 1654702 OEYLBZNPROVCHX-OAHLLOKOSA-N 439.380 2.168 0 1 IEAF N[C@@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)c1cccc(F)c1)Cc1ccccc1F 43059530 ONEPGPXDRVOIQT-MSOLQXFVSA-N 437.512 2.194 0 1 IEAF Cc1ccc(-c2nc(C(=O)N[C@@H](COCc3ccccc3)C(=O)N3CCNCC3)co2)cc1 82074427 VLVBLWJICASNTB-QFIPXVFZSA-N 448.523 2.397 0 1 IEAF C[C@@H](NC(=O)C[C@@H]1C=C[C@H](NS(=O)(=O)c2cccc(F)c2)[C@H](CO)O1)c1ccccc1 95675626 KEJHSICNFQEVJK-KYPFXXDHSA-N 448.516 2.056 0 1 IEAF CCCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1C(=O)C1CCC1 95879031 INAVHGMYUXSEGQ-RLBLXZPPSA-N 449.551 2.332 0 1 IEAF CCCNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc(NC(=O)NCC)cc3C(=O)N2C)O1 95888685 NPBHNGVMTQKIGK-HHXXYDBFSA-N 432.521 2.125 0 1 IEAF O=C(CN1CCN(c2ccc(C(F)(F)F)cn2)CC1)N[C@@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2 100065982 PSFYSFYPFBYYCS-NKIIOANBSA-N 438.494 2.278 0 1 IEAF Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1 117408869 QNVZUWYJYIDRAI-UHFFFAOYSA-N 426.546 2.309 0 1 IEAF N#Cc1ccc(Oc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)cc1Cl 205049630 USNMSERHEMNZGZ-RZNTYIFUSA-N 436.819 2.196 0 1 IEAF CCOC(=O)COc1ccc(NC(=O)C(=O)c2cn(CCOC)c3ccccc23)cn1 653806265 LLBNSRTTXVDPSH-UHFFFAOYSA-N 425.441 2.446 0 1 IEAF O=c1oc2ccccc2c2nn(CN3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)cc12 1857575673 JYVIERAMBICZRE-UHFFFAOYSA-N 442.472 2.246 0 1 IEAF O=C(O)CN1C(=O)[C@@]2(CC(=O)N(Cc3cc(F)ccc3F)C2=O)c2cc(Cl)ccc21 14976674 SWCNYWLKCRDUOM-HXUWFJFHSA-N 434.782 2.246 0 1 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COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CC2CCN(CCCN)CC2)CC1 3919860 DMUBQZCKFYYDBF-UHFFFAOYSA-N 438.016 2.186 0 1 IEAF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(F)cc1c2C(=O)O 13740631 PKRWFRHIMIZSGV-OAQYLSRUSA-N 428.347 2.056 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)N3CCc4ccccc43)C(C)C)ccc21 20231884 OKCBAUWMUQGNQQ-JOCHJYFZSA-N 441.553 2.488 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@@H]2C1)[C@@H]1CCCN1 25201597 ZVTAIKUIMONIIB-NQERJWCQSA-N 436.487 2.286 0 1 IEAF biogenic O=C1NC(=O)[C@]2(CCN(C(=O)Cc3ccc(Cl)c(Cl)c3)[C@@H](CN3CCCC3)C2)N1 26280814 GNJLINZLUYVCPA-JLTOFOAXSA-N 439.343 2.201 0 1 IEAF CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cccc2cnccc12 28704994 SLJLAMLGIDCDKP-UHFFFAOYSA-N 442.516 2.343 0 1 IEAF CC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)[C@H](N)c3csc4cc(Cl)ccc34)[C@H]2SC1 40434344 ZMOWOBXWTQPZDP-IIYDPXPESA-N 437.930 2.313 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@@H](C)N(C)C[C@@H]1C 95688362 YTFMHZRWJRHUBM-JKSBSHDWSA-N 447.576 2.488 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)[C@H]1CC[C@H](CC(=O)NCC3CC3)O[C@@H]1CO2 95888020 OFOMNITYAMQOJA-IMFGXOCKSA-N 429.517 2.332 0 1 IEAF CC(C)(C(=O)NCc1ccccc1)[C@@H]1C(=O)Nc2cccc(C(=O)NC3CC3)c2NC1=O 299835017 VAYJMDAGCYKJRU-GOSISDBHSA-N 434.496 2.428 0 1 IEAF C[C@@](O)(CO)c1ccc(-c2ncc(S(=O)(=O)c3ccc(=N)[nH]c3)s2)c(Cl)c1 473136191 NVRHWELRHNYZOU-QGZVFWFLSA-N 425.919 2.304 0 1 IEAF Cc1nc(NS(C)(=O)=O)sc1-c1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586951685 UTSHHXZHYYCAPQ-UHFFFAOYSA-N 431.503 2.426 0 1 IEAF N[C@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587175977 YYXCHBDSKVCCOE-QGZVFWFLSA-N 443.504 2.447 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@@H]2C[C@H](C(=O)O)N(Cc3ccccc3)C2)nn1 1772638407 NDBHJVWINJBXCC-WFPNJVTPSA-N 432.484 2.412 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H]2[C@H](c3ccc(C(F)(F)F)cc3)C[C@@H](O)[C@H]2O)cc1 2356286794 QHTMMJHSAKIGIG-BSDSXHPESA-N 431.432 2.270 0 1 IEAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](OC(C)=O)[C@H](O)[C@@H]3C(=O)c4ccoc4C[C@H]3[C@@]12C 2356375215 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DQWDXUQQSLYXLX-LBVMUVSTSA-N 449.482 2.386 0 1 IEAF CCN(CC)CCOc1ccc(-c2nc3c(=O)n(C)c(=O)nc-3n(-c3ccccc3)n2)cc1 96934540 UMIYOAGNSAEQMZ-UHFFFAOYSA-N 446.511 2.214 0 1 IEAF CC(C)=C(F)CNC(=O)[C@@H]1C[C@H]2C[C@H]2N1C(=O)Cn1nc(C(N)=O)c2ccc(Cl)cc21 206547303 XYNKQJSTBMHCRY-JGFGOQIWSA-N 447.898 2.158 0 1 IEAF COCCn1c(=O)n(CCc2ccccc2)c(=O)c2c(C)c(CN3CCOCC3)sc21 1857595601 MZBLHSIKXADFCY-UHFFFAOYSA-N 443.569 2.254 0 1 IEAF Nc1nc(N2CCN(Cc3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12 13581771 MHPYRFGHBLNOJV-UHFFFAOYSA-N 430.394 2.101 0 1 IEAF O=C(N[C@@H]1CCN2C(=O)c3cc(-c4ccccc4F)ccc3NC(=O)[C@H]2C1)[C@@H]1CCCN1 25201604 ZVTAIKUIMONIIB-GQWLDOHISA-N 436.487 2.286 0 1 IEAF biogenic COC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)C1CCC1 95879106 HMAYFNQQUOILMB-RMVXJAJNSA-N 426.513 2.269 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccc(F)cc4)c3=O)[C@@H]2N1CC1CC1 95880929 QFKHZWXDHHRPED-MPJJRAAHSA-N 425.504 2.164 0 1 IEAF O=C(Cc1cccnc1)N[C@H]1CC[C@@H](CCn2cc(-c3ccccc3F)nn2)O[C@@H]1CO 95905708 MJPBAXXGMLUHIX-RBDMOPTHSA-N 439.491 2.137 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@@H]1[C@@H](CO)[C@H](C(=O)NCCC)[C@H]2N1Cc1nccs1 100139635 PAUHKKZCLHDLDQ-XUEVYWCXSA-N 428.558 2.028 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@@]23CCN4CCC[C@@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@H]43 100848988 JEKCMGKEQFMXCT-UYVZPMHFSA-N 442.512 2.214 0 1 IEAF CN[C@@H](C)C(=O)N[C@H](C(=O)N1Cc2ccccc2[C@@H]1C(=O)NCc1ccccc1)C(C)C 145107468 DWYXOSQSORZHMJ-BULFRSBZSA-N 436.556 2.135 0 1 IEAF O=C1[C@@H]2[C@@H](C(=O)N1CCCCN1CCN(c3nccnc3Cl)CC1)[C@@H]1CC[C@@H]2[C@H]2C[C@H]21 169367871 KHOAMOKCCGVUEC-VWQYPGANSA-N 443.979 2.309 0 1 IEAF C[C@H]1CCC(=O)[C@@H]2[C@@H](O)[C@@]3(C(=O)O[C@H]4O[C@]43C)[C@@H](OC(=O)/C=C/c3ccccc3)[C@]12C 238745638 IHDRQAUDJFVFQM-BQDSPFLUSA-N 426.465 2.266 0 1 IEAF CCOC(=O)c1ccc2nc(Cn3cc(I)c(C(=O)O)n3)[nH]c2c1 587186157 SOUNQZFTQYBMQN-UHFFFAOYSA-N 440.197 2.287 0 1 IEAF COCCNC(=O)c1cccc(NC(=O)CCc2nc3cc(C(=O)O)c(F)cc3[nH]2)c1 587232529 YNYFOMPWYMQJEV-UHFFFAOYSA-N 428.420 2.348 0 1 IEAF COc1cc2c3c(c1)O[C@H](c1ccc(OCC(=O)N4CCOCC4)c(OC)c1)[C@@H](C2)C3=O 587443269 LXXKRUWKQGUUKX-BXKMTCNYSA-N 439.464 2.430 0 1 IEAF COC(=O)[C@@H](C)n1c(=O)c2c(nc3n(-c4ccccc4C(C)(C)C)c(C)cn23)n(C)c1=O 621431359 QYCDIKGYTRCZIQ-CQSZACIVSA-N 437.500 2.479 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4C(=O)O[C@@H]5C(=O)CO[C@@H]6O[C@H]([C@@H]4[C@]56O)[C@]3(C)CC[C@]2(C)CC1 2356569780 RONRZGSTLXBTCD-ROOPQPGHSA-N 444.524 2.053 0 1 IEAF COCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(=O)OC)cc2)C1=O 15955686 XZZMYTZNLVZKHB-NFBKMPQASA-N 447.491 2.286 0 1 IEAF biogenic COc1ccccc1N1CCN([C@H](C)CN2C(=O)N[C@@H]3c4ccccc4N(C)[C@@H]3C2=O)CC1 40411954 ZQYCWXVKNCHKFC-ZQMYSKGWSA-N 449.555 2.317 0 1 IEAF CC[C@@H](C)[C@H](C(=O)O)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C)CC3)c(F)c21 103200819 RYLDYXQGHVUJRH-BDJLRTHQSA-N 437.443 2.402 0 1 IEAF CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 104561063 GNPPMCPCONLORU-IRFCIJBXSA-N 432.565 2.180 0 1 IEAF CC(C)(C)[C@@H](OC(N)=O)[C@H]1CCN(C(=O)c2cc(-c3ccncc3)n3ncnc(N)c23)C1 169704058 RZJHGWHDPRIOAV-KSSFIOAISA-N 437.504 2.346 0 1 IEAF C[C@@H]1O[C@H](C)CN2c3c(cc4c(C(C)(C)C)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@H]12 299838645 QSLVDRVWWJPQIM-KEYDSSBGSA-N 444.463 2.155 0 1 IEAF O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cccc2nc([C@H](O)[C@@H](O)C(=O)O)[nH]c12 586890785 OXBSIPBSJDAGBH-ZIAGYGMSSA-N 427.310 2.452 0 1 IEAF O=S(=O)(NCCc1nc2ccc(-n3cnnn3)cc2[nH]1)c1c(Cl)cccc1Cl 586943187 XNTVZJQUVCVLOI-UHFFFAOYSA-N 438.300 2.366 0 1 IEAF CN(C)C(=O)Cc1nc2[nH]c(-c3nn(Cc4ccccc4F)c4ncccc34)nc(N)c-2n1 587196963 DONWOBITCCFFOD-UHFFFAOYSA-N 445.462 2.117 0 1 IEAF O=C(NC1CCCCC1)NS(=O)(=O)c1ccc(-c2ccc3c(O)nc(O)nc3n2)cc1 587563069 POZVCXCVZDCWOT-UHFFFAOYSA-N 443.485 2.424 0 1 IEAF CC(=O)Nc1ccc(-c2ncnc3c2cc(C(=O)NCCCN2CCOCC2)n3C)cc1 653853283 JJAKLXKKJVUPJB-UHFFFAOYSA-N 436.516 2.046 0 1 IEAF Cc1cc2nc([C@H](O)[C@@H](CCc3ccccc3)NC[C@@H](O)[C@H](N)CCCN)oc2cc1C 13587022 DUODFAOHEFJSJH-QVHJCDIPSA-N 440.588 2.496 0 1 IEAF COc1cc(C2=NCCN2)ccc1OC/C=C\COc1ccc(C2=NCCN2)cc1OC 29228081 MYSGVUFREQWWGZ-ARJAWSKDSA-N 436.512 2.417 0 1 IEAF O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCN(c2ncccn2)CC1 42890879 SFUJPZOVEJALDI-UHFFFAOYSA-N 426.480 2.266 0 1 IEAF COc1cc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)[nH]n1 66099922 KDEZEJSFZUZWID-JTQLQIEISA-N 433.423 2.030 0 1 IEAF COc1ncc(OC)c2c(C(=O)C(=O)N3CCN(C(=O)c4ccccc4)C[C@@H]3C)c[nH]c12 96921527 XGLVOQFSQKQWHL-AWEZNQCLSA-N 436.468 2.136 0 1 IEAF CNC(=O)c1cc(CSc2nc(NCCO)c(C#N)c(-c3ccccn3)c2C#N)ccn1 140448592 AYWPFTKLLZHBJC-UHFFFAOYSA-N 445.508 2.338 0 1 IEAF COc1ccc(C(=O)Nc2ccc(F)c([C@]3(C)CS(=O)(=O)C4(CC4)C(N)=N3)c2)nc1 207719296 XAGKPFWKUPZWQJ-IBGZPJMESA-N 432.477 2.015 0 1 IEAF COc1cc(C)cc2cc(-c3c(CO)c(CN4CCNCC4)n4ncnc(N)c34)sc12 218049273 NVVLHTUQGYXRPA-UHFFFAOYSA-N 438.557 2.408 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1)O2 587410326 QQYGBUMPKZUQBJ-LJQANCHMSA-N 438.527 2.183 0 1 IEAF COc1cc2c(N3CCN(C)CC3)nc(N(C)C)nc2cc1OCCCN1CCCC1 1857655125 FJZXZNPHKBHVRG-UHFFFAOYSA-N 428.581 2.321 0 1 IEAF CN1C[C@@H](NC(=O)c2ccno2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356299025 RLXQCZISJZXKEH-YOEHRIQHSA-N 434.443 2.016 0 1 IEAF CC(C)NC(=O)N1CC[C@H](CC(=O)O)[C@@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)C1 2356510003 KJTXEGFMXCILKP-ZRNYENFQSA-N 444.576 2.188 0 1 IEAF C[C@@H](NC(=O)C1CCC(CNc2c(N3CCOCC3)c(=O)c2=O)CC1)c1ccccc1 103865811 VCVGWMOLXGUQCI-LRYGQEGESA-N 425.529 2.215 0 3 IEAF COCCCN(C(C)=O)[C@@H]1CC2(CCN(C(C)=O)CC2)Oc2ccc(C(=O)N(C)C)cc21 2491656 FNDXNWAVYQPMBV-OAQYLSRUSA-N 445.560 2.478 0 1 IEAF O=C(CCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O 13782121 HEZYHVJSUKHORA-UHFFFAOYSA-N 432.454 2.038 0 1 IEAF COC(=O)c1ccccc1S(=O)(=O)N1CCN(Cc2c[nH]cn2)c2ccccc2C1 13803052 OHMRZXBSMHSGPK-UHFFFAOYSA-N 426.498 2.407 0 1 IEAF O=C1[C@H]2CCCCN2C(=O)CN1CCCN1CCN(c2ccccc2C(F)(F)F)CC1 26716314 KPTPMCGXJVLCBD-LJQANCHMSA-N 438.494 2.441 0 1 IEAF O=S(=O)(NCCCCc1ccccc1)NS(=O)(=O)NCCCCc1ccccc1 28014385 DIWXYEBDTMOORC-UHFFFAOYSA-N 439.603 2.291 0 1 IEAF COc1cc(C)ccc1Nc1nc(NC(C)C)nc(N2CCN(CCN(C)C)CC2)n1 73224445 YIHCIZGVRCRTSI-UHFFFAOYSA-N 428.585 2.436 0 1 IEAF CC[C@H](C)[C@H](CO)NC(=O)[C@@H]1C[C@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 82208589 SJJCWGMBVYWYPI-GIUOSPMZSA-N 432.565 2.180 0 1 IEAF Nc1ncc(-c2ccc(C3(c4noc(-c5cccc(S(N)(=O)=O)c5)n4)CCC3)cn2)cn1 96175422 MPIXRBLHXMIWMN-UHFFFAOYSA-N 449.496 2.288 0 1 IEAF Cc1cc(Cl)ccc1CNc1nc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1 145921939 VZUSGKJSJQJBHM-CHHVJCJISA-N 438.879 2.453 0 1 IEAF NC(=O)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccnc1N1CC[C@H](c2ccccc2)C1 150042583 PHLGXWORPVBJPM-RBBKRZOGSA-N 442.519 2.471 0 1 IEAF COc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc(Br)c3[nH]2)[C@H](C)O)cc1 586934769 ATYXNTJHHBHBSB-LKFCYVNXSA-N 441.307 2.129 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(CO)cc3[nH]2)cc1 586940568 XVEMCNMYKMFWGI-IBGZPJMESA-N 428.514 2.006 0 1 IEAF Cc1cc(-c2nc3c(S(N)(=O)=O)cccc3[nH]2)ccc1NS(=O)(=O)C(F)(F)F 587124184 JDHLESDAJWRUDE-UHFFFAOYSA-N 434.421 2.447 0 1 IEAF 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WBOCBXTXGMPBTG-UHFFFAOYSA-N 429.912 2.152 0 1 IEAF CCOc1cccc(N2CCN(C[C@@H](O)COc3ccc(CC(=O)OC)cc3)CC2)c1 1857646184 FUDURQYKPKGBHO-OAQYLSRUSA-N 428.529 2.363 0 1 IEAF CC(=O)O[C@@H]1C[C@]2(C)Oc3cc(C)oc(=O)c3C[C@@H]2[C@]2(C)[C@@H](O)CC(=O)OC(C)(C)[C@H]12 2356322903 DCBOVTYJTWXJGH-QVOIKDSHSA-N 434.485 2.302 0 1 IEAF CC(C)[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(C)(C)C(=O)N1CCC(CC(=O)O)CC1 13779858 AQIWTLCCMPNDGQ-IBGZPJMESA-N 430.549 2.465 0 1 IEAF COc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc(NC(=O)CSC)c2=O)cc1 25232937 UHVFXYJIYWQVMO-ZBFHGGJFSA-N 427.526 2.418 0 1 IEAF biogenic CC(C)[C@@H](NS(=O)(=O)c1ccc2oc3cc(NS(C)(=O)=O)ccc3c2c1)C(=O)O 40913389 MFYWCBCSORYQGC-QGZVFWFLSA-N 440.499 2.345 0 1 IEAF O=C([C@@H]1CN(S(=O)(=O)C2CC2)CC12CCCCC2)N1CCN(c2ccccn2)CC1 65259612 QSTKJUSMTMWVGE-IBGZPJMESA-N 432.590 2.105 0 1 IEAF CNC[C@@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@@H]1C 95852453 MPDMLCBONFVZSW-LXIYXOSZSA-N 445.520 2.375 0 1 IEAF O=C(N[C@@H]1CC[C@@H](CCNC(=O)c2ccccc2F)O[C@@H]1CO)c1ccc2c(c1)OCO2 95903825 XAHRYQSZYLTWTB-RRMPHLOHSA-N 444.459 2.013 0 1 IEAF O=C(C[C@@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@H](CO)O1)NCc1ccc(F)cc1 95904803 ZQAKPDPMAYCBJK-VDGAXYAQSA-N 431.439 2.477 0 1 IEAF CC(=O)N[C@@H]1CN(C(=O)OC(C)(C)C)[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OC(C)=O 95921547 WSSWCNOMZDCKSM-DEPCRRQNSA-N 434.489 2.156 0 1 IEAF COCCNc1cc(C(=O)O)nc2c(-c3cccc(F)c3O)nc(N3CCOCC3)nc12 169698811 FOUMYFSFMZYUNS-UHFFFAOYSA-N 443.435 2.130 0 1 IEAF CC[C@H](C)C(=O)N[C@H]1C[C@@]2(O)[C@H]3Cc4ccc(O)cc4[C@@]2(CCN3CC2CC2)CC1=O 217110862 JHYKTGXGQAEQSY-FZEGMXJWSA-N 426.557 2.295 0 1 IEAF C[C@H](Nc1ncnc(N)c1C#N)c1nc2cccc(Cl)c2c(=O)n1-c1cncc(N)c1 220880625 VBVPVODRGULMAZ-JTQLQIEISA-N 433.863 2.433 0 1 IEAF C/C(=C\CC/C(C)=C/COc1ccc([C@@H](O)CNC(=O)/C=C/S(C)(=O)=O)cc1)CO 238781562 FHJXHFKYHBPELW-DKOGWASHSA-N 437.558 2.438 0 1 IEAF CN[S@]1(O)C[C@@](C)(c2cc(NC(=O)c3ccc(OC)cn3)ccc2F)NC(=N)N1C 1772641589 VZNMUSBVXSORSX-IBGZPJMESA-N 436.513 2.494 0 1 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O=C(NCC[C@H]1CC[C@H](NS(=O)(=O)c2cccc(F)c2)[C@@H](CO)O1)C1CCCCC1 95904224 FSCPNKZYECBZAT-YZGWKJHDSA-N 442.553 2.099 0 1 IEAF CCN(CC)CCOc1ccc(-c2nnc3c(n2)c(=O)n(C)c(=O)n3-c2ccccc2)cc1 96934538 MQTBVRNLRZZLRY-UHFFFAOYSA-N 446.511 2.262 0 1 IEAF CO[C@H]1CCN2[C@H]1[C@@H]1C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]1[C@@H]2c1ccc(C(=N)N)cc1 96941600 GPGAPFXJBOTZDY-JRSUCEMESA-N 436.487 2.055 0 1 IEAF O=C(O)CCNC(=O)c1ncc2c(cc(-c3cccnc3)c(=O)n2Cc2ccccc2)c1O 169711008 DVJGNOQHEKRYHR-UHFFFAOYSA-N 444.447 2.417 0 1 IEAF Cc1ccccc1N1C(=O)[C@H]2C[C@@H](n3[nH]c(=O)n(Cc4ccccc4)c3=O)C=C[C@H]2C1=O 254079311 SWDCMYLXRQXNGE-OTWHNJEPSA-N 430.464 2.002 0 1 IEAF CN(C)S(=O)(=O)c1cccc2nc(-c3cncc(I)c3)[nH]c12 587185090 PRRPBTDYJUORQU-UHFFFAOYSA-N 428.255 2.480 0 1 IEAF CN(C)S(=O)(=O)c1ccc2nc([C@H](CC(=O)O)NC(=O)OCc3ccccc3)[nH]c2c1 587206631 NWUUKNKNDOHAMB-KRWDZBQOSA-N 446.485 2.255 0 1 IEAF CO[C@H](C(=O)N[C@@H]1C(=O)N2[C@H]1SC(C)(C)[C@H]2C(=O)O)c1ccc(Cl)c(Cl)c1 2356697104 JKXQBIZCQJLVOS-ZAZJYDDPSA-N 433.313 2.313 0 1 IEAF CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H]1CN=C(SCc3ccc(Cl)cc3)N1[C@@]2(C)C(=O)OC 61944655 ZDNSGHDLPCBPGR-IGMJJTELSA-N 435.933 2.180 0 3 IEAF CN(C)c1ccc(C2=NO[C@H](c3ccsc3)[C@@H]2C(=O)NCCN2CCOCC2)cc1 4040845 VMUNJBHXPJXQGS-TZIWHRDSSA-N 428.558 2.354 0 1 IEAF CCOC(=O)[C@H](CCC[C@@H]1Cc2ccccc2O1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)O 13883298 HTBXOXWJOIKINE-NQYYFHDYSA-N 432.517 2.146 0 1 IEAF investigational CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c1 28460492 RZSVJMNMQQUWJN-KRWDZBQOSA-N 429.425 2.394 0 1 IEAF CC(C)Nc1nc2nc3cc(Cl)c(Cl)cc3cc2n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49020676 WDMLYQYAVLMJPN-ANQUJSFKSA-N 427.288 2.323 0 1 IEAF CCNC(=O)[C@H]1[C@H]2c3ccc(C4=CCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95880282 JWJDHTWYEUZYTC-KZKAQZJJSA-N 434.540 2.111 0 1 IEAF COc1ccc2c(c1)[n+]([O-])c(C(=O)CC(=O)C(=O)Nc1cccc(Cl)c1C)c(C)[n+]2[O-] 102982821 JGSVRDOCVHEECM-UHFFFAOYSA-N 443.843 2.166 0 1 IEAF CC1(NC(=O)c2ncccc2NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)COC1 169701888 ABELAFVBUKBPTB-UHFFFAOYSA-N 446.471 2.054 0 1 IEAF COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C3CCN(C(C)=O)CC3)C2=O)cc1 218673328 FBXXOKJXOKYINU-UHFFFAOYSA-N 436.512 2.115 0 1 IEAF Cc1nnc(C(C)C)n1-c1ccc(C(=O)NN2C(=O)[C@@H]3[C@H]4C=C[C@@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 299807143 UJISMJDOFFHTEW-IPJCAIGPSA-N 431.496 2.397 0 1 IEAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)cc(Cl)c2[nH]1 587220243 QZELKPJMKCBDOL-DTWKUNHWSA-N 436.774 2.059 0 1 IEAF NC(=O)CN1C(=O)[C@@]2(N[C@@H](C(=O)C(F)(F)F)Cc3ccccc32)c2cc(Cl)ccc21 962771100 VCVDBXGWWQCHCB-KUHUBIRLSA-N 437.805 2.061 0 1 IEAF Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4ncccn4)CC3)c(OC(F)F)c21 834173 JUDIRDPSSBVSCK-UHFFFAOYSA-N 449.389 2.094 0 1 IEAF Cn1c(=O)c2sccc2n2c(CCCC(=O)NC[C@@H]3CCN(C4CCCC4)C3)nnc12 9431292 SYUZOLTUIVHCIM-HNNXBMFYSA-N 442.589 2.346 0 1 IEAF CC(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)C(N)=O 27095126 JKZCALXNJCQERK-VQTJNVASSA-N 439.512 2.109 0 1 IEAF N=C(N)NCCC[C@@H](NS(=O)(=O)c1cccc2ccccc12)C(=O)N1CCCCCC1 27977686 FLGCRZHJDJKHBC-LJQANCHMSA-N 445.589 2.153 0 1 IEAF COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(NCC[C@H]2CCCCN2)c1=O 66077561 YWBPBWLMDWEHQT-GOSISDBHSA-N 447.967 2.474 0 1 IEAF COCC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccc(C)nc5)nc4c32)CC1 95588217 NUZKZLIMRUWBCW-UHFFFAOYSA-N 446.511 2.464 0 1 IEAF O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 95794576 PCYAIFIMZYBJKO-SIKLNZKXSA-N 434.492 2.397 0 1 IEAF O=C(NCC[C@@H]1CC[C@H](NC(=O)c2ccccc2F)[C@@H](CO)O1)c1ccc2c(c1)OCO2 95908194 DNUVWNCDCIVCLB-UQASEVPWSA-N 444.459 2.013 0 1 IEAF Cc1nc(C)c(C(=O)[C@H]2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccs2)s1 100271532 CBTBDTYXLDYYCP-HOTGVXAUSA-N 433.555 2.105 0 1 IEAF COCCNC(=O)c1cccc(Nc2ncnc(N3CC(Oc4ccc(F)cc4)C3)n2)c1 118591687 XSDCFDIHEIBQJJ-UHFFFAOYSA-N 438.463 2.398 0 1 IEAF COC[C@@H](CO)Nc1nccc(-c2ccn([C@H](CO)c3ccc(Cl)c(F)c3)c(=O)c2)n1 144854132 RTMAZSIJEAZCLA-DNVCBOLYSA-N 448.882 2.099 0 1 IEAF C[C@H](Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)o1)C(=O)S[C@@H](CC(=O)O)C(=O)O 145981261 MFFDPIJWPIGJHU-BMIGLBTASA-N 448.453 2.149 0 1 IEAF Cc1cc(C(=O)O)nn1-c1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)cc1 169336442 ZWLFIVHVYXHXJH-UHFFFAOYSA-N 430.511 2.232 0 1 IEAF CCCCO[C@@H]1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2O)N(C(=O)Cc2ccccc2OC)C1 299881149 NMGBXRZJKQOTOP-MHTWAQMVSA-N 432.561 2.444 0 1 IEAF COC(=O)CCCNC(=O)c1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 473121721 RBKNWAMPWZEBLH-UHFFFAOYSA-N 425.441 2.149 0 1 IEAF CN1CCC(N[C@@H]2CCC[C@H](C(=O)NCc3cc(F)cc(F)c3)CC(=O)N(C)C2)CC1 2356300893 ZMKGLHYUALOSBW-LAUBAEHRSA-N 436.547 2.282 0 1 IEAF CC(=CCOc1ccc(CCNC(=O)C=CS(C)(=O)=O)cc1)CC[C@H](O)C(C)(C)O 2356680851 WRXFITZUJCADEK-FQEVSTJZSA-N 439.574 2.141 0 1 IEAF CC(C)O[P@@]1(=O)OC[C@H]2O[C@@H](n3cnc4c(N5CCC5)nc(N)nc43)[C@](C)(F)[C@@H]2O1 66262533 YYRKKLCZVNZOKZ-QOOYFGEHSA-N 442.388 2.193 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@@H](C)N(C)C[C@H]1C 95687676 OHCKKWTUURNYIO-ZOCZFRKYSA-N 441.532 2.165 0 1 IEAF Cc1nc(-c2ccc([C@H]3CN(c4nc(-c5ccncc5F)cc(=O)n4C)CCN3)cc2)no1 113075188 OJFBBODEMJKCGV-HXUWFJFHSA-N 447.474 2.491 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4ccc(F)c(Cl)c4)nc23)N1 143983539 NAAFTAWZXKBTBD-NSIKDUERSA-N 442.842 2.284 0 1 IEAF COC(=O)c1cc([C@@]2(C(O)O)N[C@H](C)Cc3cc(Br)c(F)cc32)ccc1O 587808238 NVRTXNDBEFJTLO-AYLIAGHASA-N 440.265 2.169 0 1 IEAF OC[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC(C4CCC4)C4CCC4)nc(Cl)nc31)[C@H](O)[C@@H]2O 1857569084 KATPAPFGRPJUHJ-MXKWNSRKSA-N 433.940 2.136 0 1 IEAF CN1[C@H]2CCN(Cc3ccc(F)cc3)[C@@H]2C(=O)NC[C@H]1CCC(=O)NCc1cccs1 2356823116 GJCYNXIAYRTKOS-CBQOVEMMSA-N 444.576 2.357 0 1 IEAF O=C(NC[C@@H]1C[C@H]2CCN1C[C@@H]2CN1CCN(C2=CC=C[CH]N2)CC1)Nc1ccsc1 2356827571 HZYAGPPIQLLIOQ-DYXWJJEUSA-N 441.625 2.360 0 1 IEAF CCCNC(=O)c1cccc(CN2C(=O)N[C@H](Cc3ccc4[nH]cc(CCN)c4c3)C2=O)c1 13603500 GNFRSCDEJGPQKY-JOCHJYFZSA-N 447.539 2.472 0 1 IEAF Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCC[C@@H]2C(=O)NCC(=O)O)cc1 28358344 WKQZMKWOUOBQKD-LJQANCHMSA-N 438.484 2.373 0 1 IEAF COC[C@@H]1CCCN1C(=O)[C@@H]1CCCN1c1cc(Nc2cccc(OC)c2)nc(N)n1 39267666 CFHQZYZRLYAXOS-WMZOPIPTSA-N 426.521 2.417 0 1 IEAF Cn1nc(C(F)(F)F)cc1C(=O)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2CN)cc1 84672368 YDYWWZADSDJKCA-ZDUSSCGKSA-N 445.467 2.193 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C(C)=O)CC31CCN(C(=O)C2CC2)CC1 95865649 JOIMCSKYDFADOE-HXUWFJFHSA-N 425.529 2.353 0 1 IEAF COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cocn5)C4)c3C2)cc1C 113567731 YXJHLYDNHRIVPS-INIZCTEOSA-N 436.472 2.033 0 1 IEAF C[C@H](NC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C(N)=O 168396380 KUWRROVJPNSMMO-YRSMIWHRSA-N 432.318 2.206 0 1 IEAF COC(=O)c1c(C#N)ccnc1O[C@@H]1CC[C@@H](C)N(C(=O)c2ccccc2-n2nccn2)C1 207672038 JFNKNPOSXSFDCP-NVXWUHKLSA-N 446.467 2.393 0 1 IEAF CN1CCC[C@@H](c2ccccc2OCC(=O)NC[C@H](O)CN2CCc3ccccc3C2)C1 218918772 XLTVCBJHAJFECK-PKTZIBPZSA-N 437.584 2.410 0 1 IEAF COC(=O)N[C@H](C(=O)NCCC[C@@H]1CNCCO1)C(c1ccccc1)c1ccccc1 584904731 JLOXTJQCNGOWCO-IRLDBZIGSA-N 425.529 2.428 0 1 IEAF in-vitro CN(C)c1cccc(CNC(=O)c2ccc3sc([C@H]4C[C@H](O)[C@@H](CO)O4)nc3c2)c1 61929255 OFYUKGRXAUNADL-IPMKNSEASA-N 427.526 2.476 0 3 IEAF CC[C@]1(C(=O)OC)[C@H]2C(=O)N(Cc3ccccc3)C(=O)[C@H]2[C@H]2CN=C(SCC3CC3)N21 61944610 BKZZVMSCLCHXNG-OIMFZILRSA-N 441.553 2.307 0 3 IEAF COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N([C@H](C)C(=O)NCc2ccccn2)C(=O)[C@]31C 15956175 OUWOGMXJWCPEKY-SHACYNPGSA-N 447.495 2.312 0 1 IEAF biogenic CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1cc(C)nc2ccccc12)C(C)C 64573861 ANLBXRHYLFQYEM-NDXORKPFSA-N 439.560 2.221 0 1 IEAF COC(=O)C1=C(C)N=C(C)/C(=C(\O)OC)[C@@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 102886204 YFQAWMHNJIJEKU-ZQVCDIFSSA-N 442.468 2.461 0 1 IEAF CN(C)CCN(Cc1ccccc1)C(=O)[C@@H]1CCN(c2ccc(C(N)=O)c3ncncc23)C1 147626833 JQAYIDUGXAEGLA-LJQANCHMSA-N 446.555 2.145 0 1 IEAF Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1 199945397 FGXSOXXSWXJIQM-UHFFFAOYSA-N 440.573 2.334 0 1 IEAF N#Cc1ccc(CNc2nc(NC3CC3)n3ncc(/C=C4\NC(=O)NC4=O)c3n2)c(Cl)c1 205040069 IHBLLYWHYCJDBA-UUASQNMZSA-N 449.862 2.016 0 1 IEAF CCOC(=O)c1cc([C@@]2(C)N[C@H](C(=O)O)Cc3cc(OC(F)(F)F)ccc32)nn1C 962642364 YZWSNQQLFUJUCD-UGSOOPFHSA-N 427.379 2.358 0 1 IEAF Nc1ccccc1NC(=O)/C=C/c1cn([C@H]2C[C@H](C(=O)O)N(CCc3ccccc3)C2)nn1 1772632763 HIULRIYRAKJRNA-DKARIYQYSA-N 446.511 2.455 0 1 IEAF C[C@@H](NC(=O)c1cc(-c2ccccc2)nn1C)c1ccc(C(=O)NS(C)(=O)=O)cc1 1857584855 MRQUJSLINQBOAA-CQSZACIVSA-N 426.498 2.268 0 1 IEAF COC(=O)c1c2ccoc3c-2c2c1[C@@]1(O)C[C@@]4(OC)N(C[C@H](C)C1=O)C[C@H](CC3)[C@]24C 2356444429 VBQJEMGOKDQRDF-ZRDKVFAMSA-N 425.481 2.460 0 1 IEAF O=C(O)C[C@H](OC(=O)c1cc(-c2ccc(O)c(O)c2)c2cc(O)c(O)cc2c1)C(=O)O 13340197 JBWSHFXUSJIRBC-SFHVURJKSA-N 428.349 2.414 0 1 IEAF biogenic COc1cc([C@@H]2c3cc4c(c(OC)c3[C@@H](O)[C@H]3COC(=O)[C@H]23)OCO4)cc(OC)c1OC 28968119 PDQAOYGENRRPQO-JTZSMWBOSA-N 444.436 2.418 0 1 IEAF COc1cc2nc(NC[C@@H]3CCCO3)nc(NCCCN3CCOCC3)c2cc1OC 82125599 DNJHDWWVAAWNLE-INIZCTEOSA-N 431.537 2.372 0 1 IEAF O=C([C@@H]1C[C@H](N2CCN(c3nc(-c4ccccc4)cs3)CC2)CN1)N1CCSC1 95560439 LRBGIBKMTXKBEG-ROUUACIJSA-N 429.615 2.196 0 1 IEAF CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)OC)C3)cc1 95579127 GAIJXTJKNCULPJ-UHFFFAOYSA-N 440.504 2.246 0 1 IEAF COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)C(C)=O)O3)c1 95714280 UCUKQPKVMMJLHS-WJONJSRFSA-N 441.528 2.456 0 1 IEAF COC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)c4cscn4)cc3C(=O)N2C)O1 95892214 VTLFRCJBSOXUAU-MZMPZRCHSA-N 445.497 2.339 0 1 IEAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1C[C@H]1CCCO1 101034882 CYWFECIGIKSPFJ-CYBMUJFWSA-N 425.466 2.447 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccccc2I)C[C@@H]2CC[C@@H]1N2C 169712345 AWVUKTXSKOZAJP-FBUXBERBSA-N 429.254 2.472 0 1 IEAF COc1ccc(Cc2nc3cc4cn[nH]c4cc3[nH]2)cc1S(=O)(=O)N1CCOCC1 586956965 MKEHCSPHMHSSKT-UHFFFAOYSA-N 427.486 2.060 0 1 IEAF CN(C)CCn1nnnc1SC[C@](O)(Cn1ccnc1)c1ccc(Cl)cc1Cl 1772578457 QHXORWQJCWUMAN-QGZVFWFLSA-N 442.376 2.418 0 1 IEAF N[C@@H](CC(=O)N1CCC[C@H]1C(=O)NCc1ccc(C(=O)O)cc1)Cc1ccccc1F 28379121 NQCPHLGHRPZTLE-QUCCMNQESA-N 427.476 2.091 0 1 IEAF CCC(=O)Nc1ccc2c(c1)C(=O)N(C)C[C@H](OC)[C@@H](C)CN(C(=O)COC)[C@H](C)CO2 95680072 PYQSBCBLWVDVHP-YRNRMSPPSA-N 449.548 2.014 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2ccc(NC(=O)C3CCOCC3)cc2OC[C@@H](C)N(C)C[C@H]1C 95690534 TVGROYRLGTWDMS-DRSNIGMVSA-N 447.576 2.488 0 1 IEAF Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@@H]4C[C@H]3CN4)cc2F)cn1 224748105 RRZCBBSRNPCQIB-GJZGRUSLSA-N 425.489 2.267 0 1 IEAF CC(C)(Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2F)s1)C(=O)N1C[C@H]1C(=O)O 261146201 NWTMDNVGALXRNH-LNHXHEARSA-N 433.461 2.255 0 1 IEAF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(C(=O)O)cc3[nH]2)cc1 586939751 DWSCIQHMIZDHKQ-SFHVURJKSA-N 442.497 2.212 0 1 IEAF COc1cnc(C(=O)Nc2csc([C@]34CO[C@@H](C)C[C@H]3CSC(=N)N4)n2)c(C)n1 1772571402 SXWPACCPHBMXRP-DNTLEWNLSA-N 434.547 2.394 0 1 IEAF CCn1c(C(O)(c2ccccc2)c2ccccc2)nc2ccc(C(=O)NC[C@@H](O)CO)cc21 1857589026 ZMXRFBPNEUIWLT-OAQYLSRUSA-N 445.519 2.423 0 1 IEAF CC1(C)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](OC(=O)CC(c3ccccc3)c3ccccc3)[C@@H]2O1 26939617 HHNWXOWLXJDALQ-QZUCXDRTSA-N 428.481 2.350 0 1 IEAF NCCC[C@H](NC(=O)c1ccc(SCc2ccc3nc[nH]c(=O)c3c2)cc1)C(=O)O 29341532 XVWYIOMVJJDIKK-SFHVURJKSA-N 426.498 2.137 0 1 IEAF NC(=O)c1cccc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nnn[nH]4)c3)s2)c1 114604466 XLNJFNBFPKJPPZ-UHFFFAOYSA-N 426.483 2.495 0 1 IEAF CC[C@H](C)[C@H](CO)NC(=O)[C@H]1C[C@@H](OCC2CCCCC2)CN1C(=O)c1cnccn1 299884015 SJJCWGMBVYWYPI-AGKXRFJRSA-N 432.565 2.180 0 1 IEAF NS(=O)(=O)c1cccc2[nH]c(-c3cc4cc(Br)c(O)cc4oc3=O)nc12 587001369 YHWWBNSKSXWQSC-UHFFFAOYSA-N 436.243 2.452 0 1 IEAF CN(C)CC[C@@H](NC(=O)OC(C)(C)C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587193959 JYDYQBTWUTVJEA-OAHLLOKOSA-N 425.555 2.331 0 1 IEAF COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncc[nH]4)nn3)ccc2O)c1 653715009 XBDDDMXBBMIDMQ-UHFFFAOYSA-N 433.428 2.347 0 1 IEAF O=C(O)CN[C@H]1CSCON2CCc3c([nH]c4cc(Br)c(O)cc34)[C@H]12 2356808282 YPWNBTZPVNDQHP-LRDDRELGSA-N 428.308 2.214 0 1 IEAF COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCNC(C)=O 2971767 QVPXKAMGOGYCRZ-UHFFFAOYSA-N 426.498 2.272 0 3 IEAF C[C@H]1CNC(=O)[C@@H](CC(F)(F)F)N(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)C1 14958909 OZHVWSQMEOKMIE-ZVWUFJHRSA-N 425.373 2.279 0 1 IEAF Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@](CNC(=S)NCc5ccccc5)(O4)[C@@H]3C2=O)cc1 20183250 LRERTOYOIGJSAU-MTXNFPGFSA-N 433.533 2.472 0 1 IEAF O=C(CC1CC1)N1[C@@H](CO)[C@@H](c2ccccc2)C12CN(S(=O)(=O)c1ccccc1)C2 95667869 HYWQUOXERVWZRC-RBBKRZOGSA-N 426.538 2.217 0 1 IEAF Cc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1-c1nc2cc3c(cc2[nH]1)OCC(=O)N3 586946244 PNGJZSMOGRHRKX-CYBMUJFWSA-N 442.497 2.327 0 1 IEAF CC1(C)Cc2cc(NC(=O)c3cnn4cccnc34)c(N3CCC(C(N)=O)CC3)cc2O1 1857561264 SHRMUFSVGJZOAY-UHFFFAOYSA-N 434.500 2.397 0 1 IEAF O=C(O)c1ccccc1N=c1nc(Nc2ccc(N3CCOCC3=O)cc2)nc(Cl)[nH]1 1911576617 RRYSRGHPUWPQCU-UHFFFAOYSA-N 440.847 2.496 0 1 IEAF O=C(CN(Cc1ccco1)C(=O)CNS(=O)(=O)c1ccccc1)NC1CCCCC1 4375225 HYXXJWRCXZDLFY-UHFFFAOYSA-N 433.530 2.036 0 3 IEAF CCC(=O)N1C[C@H](C)[C@H](OC)CN(C)C(=O)c2ccc(NC(=O)COC)cc2OC[C@H]1C 95666942 ANPLQDSRLDYPOL-RZQQEMMASA-N 449.548 2.014 0 1 IEAF Cc1cccc(CN(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@H]2C)c1 95810156 MEJUTVOAQGGYHA-ZRCGQRJVSA-N 443.592 2.243 0 1 IEAF COc1cc2c(cc1OC)CN(CCNC(=O)c1cn(-c3ccccc3OC)nn1)CC2 169341778 LTBMZFJEFDSXER-UHFFFAOYSA-N 437.500 2.081 0 1 IEAF Cc1nc(NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H](C)O)cc2[nH]nc(N3CCOCC3)c12 210720536 MISUBOVLCSWWNP-BFUOFWGJSA-N 428.468 2.486 0 1 IEAF COC(=O)[C@H]1C[C@@]2(CN1S(=O)(=O)c1cccs1)NCCc1cccc(Cl)c12 963391103 QBZGXUXCEDPXJE-KDOFPFPSSA-N 426.947 2.379 0 1 IEAF COC(=O)[C@@H]1C[C@@]23C=CCN2CC[C@]2(CC(=O)O)c4ccccc4N(CC(=O)O)[C@@]12CC3 2356692705 HWWDUSGDULMYSV-NSXWQBIQSA-N 440.496 2.030 0 1 IEAF Cn1cc(CCNC(=O)C[C@H]2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)cn1 11874823 WVWKTXARJBFMAM-QHCPKHFHSA-N 447.539 2.262 0 3 IEAF CCCc1cc(=O)oc2c(C)c(OCC(=O)NCC(=O)N[C@H](C(=O)O)[C@H](C)CC)ccc12 15956375 MAADTXLXEYXYCO-ASSNKEHSSA-N 446.500 2.164 0 1 IEAF biogenic COc1ccc(CCNC[C@@H](O)COc2ccc(-c3nc(CO)c[nH]3)cc2)cc1OC 26015612 QLOIBAZYEGHOQK-LJQANCHMSA-N 427.501 2.158 0 1 IEAF CC[C@@]12CC(C(=O)OC)=C3Nc4c(cc(O)c(OC)c4OC)[C@@]34CCN(C[C@H]3O[C@H]31)[C@@H]24 36418422 NZLKHAMETKWZND-UDXQQELJSA-N 428.485 2.155 0 1 IEAF O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(N2CCN(Cc3ccco3)CC2)c(F)c1 40380700 GOVHTNISAJSOHC-SFHVURJKSA-N 426.452 2.358 0 1 IEAF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@H]3[C@H](F)CC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@H](O)C[C@@]21C 40810594 YMIIBGCZDYJZNN-UBQDBZPZSA-N 434.504 2.322 0 1 IEAF COC(=O)C[C@]1(C)Cc2cc3cc(OC)cc(C(=O)OC)c3c(C(=O)OC)c2C(=O)O1 69482112 FZKUYBOZBGNKMP-QFIPXVFZSA-N 430.409 2.456 0 1 IEAF biogenic,in-vitro CCC[C@@H](C(=O)NCCN1CCOCC1)N1C(=O)c2cc(C)ccc2NC(=O)[C@H]1C(C)C 82166721 PMJKJQNGEBSNBR-LEWJYISDSA-N 444.576 2.031 0 1 IEAF CC(=O)N1[C@@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]2[C@@H](CO)[C@@H]1C(=O)N1CCCCC1 95881388 KZBQHMCOGIXFAZ-YXPKMTABSA-N 435.524 2.038 0 1 IEAF CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1 118546501 IKKOJEXQRLFBRN-UHFFFAOYSA-N 434.500 2.218 0 1 IEAF OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(N4CCCC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O 142343277 BELNASQJDLDPMJ-ZQGJOIPISA-N 433.932 2.046 0 1 IEAF CS(=O)(=O)N1CCC[C@@H]1C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O 587658390 OLXSBLWGWFWFGQ-QGZVFWFLSA-N 433.436 2.406 0 1 IEAF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CCCc4[nH]nc(Nc5ccccc5)c43)N2C(=O)[C@@H]2CCCN12 963215470 AMPPDYYCJCLISH-XFAGBWLFSA-N 443.511 2.214 0 1 IEAF Cn1ccnc1SCC1=C[C@@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)C(=O)CO1 963215531 BNOVBLWWAJKNNJ-GCJKJVERSA-N 436.493 2.038 0 1 IEAF COc1cc([C@@H]2c3cc4c(c(OC)c3[C@H](O)[C@@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O 2356465790 HCKCVXCPSCVJQG-NEDOFYQNSA-N 430.409 2.115 0 1 IEAF O=C(Nc1ccccc1)[C@@H]1O[C@@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC[C@@H]1O 2356874119 YSTPRJLNCYNSRM-QEYZDPKDSA-N 437.540 2.205 0 1 IEAF COC(=O)C[C@@H]1C[C@H]2c3cc(NS(=O)(=O)c4ccccc4)ccc3O[C@H]2[C@@H](CO)O1 61921572 NPRGNJUPYHXXCW-QBGRRASTSA-N 433.482 2.045 0 3 IEAF CC(=O)N1CCC2(CC1)C[C@H](N(C[C@@H]1CCCO1)C(C)=O)c1cc(C(N)=O)ccc1O2 768073 LVZCVYKWYSDXDJ-ICSRJNTNSA-N 429.517 2.018 0 1 IEAF Cc1cc(Cl)cc(NS(=O)(=O)c2ccc(-n3ncc(=O)[nH]c3=O)cc2Cl)c1 26020311 FRWGATSOUHKYBO-UHFFFAOYSA-N 427.269 2.337 0 1 IEAF CCCC(=O)N[C@H](Cc1ccc(O)cc1)[C@@H](O)NCCCNCCCCCCCCN 27651489 JTDSKKPKSNZTHK-ISKFKSNPSA-N 436.641 2.407 0 1 IEAF CC1(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2CCN1Cc1cscn1 36520089 ZSDBGBUACZIEEL-UHFFFAOYSA-N 443.504 2.225 0 1 IEAF NC(=O)c1ccc(N2CC[C@H](NS(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 45350940 ZLADJJKLKTWOER-CFNZNRNTSA-N 443.909 2.335 0 1 IEAF CCCn1c(=O)c(NC(=O)CCc2cccnc2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82205537 AZCOEJZHHYBREI-IBGZPJMESA-N 433.512 2.423 0 1 IEAF O=C(N[C@H]1CC[C@@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 95677200 AVWHUTQXLFJWQV-RJGXRXQPSA-N 437.540 2.064 0 1 IEAF Cc1nn(C2CCOCC2)c2sc(C(=O)N[C@H]3CC[C@@H](N4CCNC(=O)C4)CC3)cc12 114712057 IBESFDAQKAOXNU-WKILWMFISA-N 445.589 2.231 0 1 IEAF O=C1CC[C@H](N2Cc3cc(CNC(=O)Nc4ccc(Cl)cc4)ccc3C2=O)C(=O)N1 116111570 BCTZVDWPHVNFTR-KRWDZBQOSA-N 426.860 2.423 0 1 IEAF O=C(N[C@H](C(=O)NN1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccccc1)c1ccccc1 169291179 GFWCASGSHHDONA-VTINZAFFSA-N 441.487 2.242 0 1 IEAF N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C/CCN3CCC[C@@H]3C(=O)N2)CC1 205110872 MCAYUIJQWRSBTG-IUEAJQDCSA-N 442.947 2.343 0 1 IEAF C/C(=C/C[C@]12OC(C)(C)[C@@H]3C[C@H](C1=O)[C@@H]1O[C@]14C(=O)c1c(O)cccc1O[C@]324)C(=O)O 299852907 ZCYXSRAEMATING-UNIKEUKFSA-N 426.421 2.031 0 1 IEAF C[C@H]1CSC[C@@]12c1cc(O)ccc1C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc1ccccc1 963687558 OAWBDDVOKAGHNE-MVUQTOHYSA-N 426.538 2.378 0 1 IEAF COC(=O)[C@H](O)[C@@]12C(=O)[C@@H](C3=C4CC(=O)O[C@H](c5ccoc5)[C@]4(C)CC[C@H]31)[C@H](O)C2(C)C 2356604310 XOHRSMKBHRXRSQ-UCGCLORKSA-N 444.480 2.100 0 1 IEAF CC(C)[C@@H](NC(=O)Cn1c(-c2cc(F)cc(F)c2)ncc(N)c1=O)C(=O)C(F)(F)F 13516060 DVNRYIBEOOQVDY-CQSZACIVSA-N 432.349 2.043 0 1 IEAF Nc1nc(NCc2ccccc2)nc2c1nc(O)n2Cc1cccc(CP(=O)(O)O)c1 40939867 FCMPRTNWZDHSNH-UHFFFAOYSA-N 440.400 2.452 0 1 IEAF O=C(C[C@H]1C=C[C@H](NC(=O)Nc2ccccc2F)[C@@H](CO)O1)NCc1ccc(F)cc1 95904798 ZQAKPDPMAYCBJK-LSTHTHJFSA-N 431.439 2.477 0 1 IEAF Cc1ccccc1[C@@H](CS(=O)(=O)CCCOCn1ccc(=O)[nH]c1=O)c1ccccc1 96172718 LVFUNPYSQLFJQC-NRFANRHFSA-N 442.537 2.456 0 1 IEAF O=C(NCCCc1ccc(Cl)c(Cl)c1)C1=C(O)C(=O)N(CCN2CCOCC2)C1 141936243 GEBOFGZVLSPGBU-UHFFFAOYSA-N 442.343 2.029 0 1 IEAF CCOC(=O)[C@@H]1[C@H](c2ccc(OC)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291381 DBKSKPODNPGURY-YZVOILCLSA-N 444.358 2.095 0 1 IEAF N[C@@H](Cc1c[nH]c2ccc(F)cc12)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587175976 YYXCHBDSKVCCOE-KRWDZBQOSA-N 443.504 2.447 0 1 IEAF COC(=O)C1=CO[C@H](C)[C@@H]2CN3CCC(=O)c4cc(OC)c(OC)cc4NC(=O)[C@H]3C[C@@H]12 2356544199 GSEUZKHBXGQIHO-ACXGAUJLSA-N 444.484 2.011 0 1 IEAF CN1C(=O)N(CCN2CCOCC2)C[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl 64512595 UVRHNTQEWNNUFT-HNNXBMFYSA-N 448.873 2.043 0 1 IEAF OC[C@H]1O[C@@H](c2ccc(F)c(Cc3ncc(-c4ccsc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O 66074196 DRVWFIVKLPCIGS-QSWMPLQWSA-N 437.514 2.116 0 1 IEAF CC(=O)Nc1ccc(CNc2c3n(c(=O)n(Cc4ccncc4)c2=O)C[C@@H](C(C)C)N3)cc1 82206220 QLALXUOISCZPGX-FQEVSTJZSA-N 448.527 2.474 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccncc4)c3=O)[C@H]2N1Cc1ccccc1 95880170 AZMINGBCLGHKON-CJTFWIGWSA-N 444.535 2.210 0 1 IEAF O=C(O)C[C@H]1C[C@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@H]2[C@@H](CO)O1 95900566 FNDPGVQZUOXHHT-DIZIXXEVSA-N 427.409 2.137 0 1 IEAF C[C@H]1CN2CCC[C@H]2CN1C(=O)N1Cc2c(NC(=O)c3cncs3)n[nH]c2C1(C)C 114182281 JWLHJLZIEZQWOR-STQMWFEESA-N 429.550 2.458 0 1 IEAF NC(=O)COC1CN(C(=O)c2cc(Cl)c3c(c2)[C@@](O)(C(F)(F)F)c2ccccc2-3)C1 144813918 IKLCPFDDCLCXJU-LJQANCHMSA-N 440.805 2.445 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(NCc4cccc(Cl)c4F)nc23)N1 145051936 YUFITCPMMQELIW-MLPAPPSSSA-N 442.842 2.284 0 1 IEAF N=c1ccc2c([nH]1)CC[C@H]2NC(=O)c1cnn(Cc2ccc(Cn3ccccc3=O)cc2)c1 1857751615 GAHSGTPDISUWPL-JOCHJYFZSA-N 440.507 2.366 0 1 IEAF CCC(=O)N1CCc2cc(Br)cc(S(=O)(=O)N3CCC[C@H](C(=O)O)C3)c21 9501453 RATOJEAAISSINU-LBPRGKRZSA-N 445.335 2.234 0 3 IEAF C[C@]1(C(=O)NS(=O)(=O)c2cccc(OC(F)F)c2)CCN1C(=O)Cc1ccsc1 61930742 JVGFOBCYUCEWGI-GOSISDBHSA-N 444.481 2.388 0 3 IEAF CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@H]1O 13819105 BVAULMYVOSWSBQ-NPPFBWRTSA-N 430.526 2.213 0 1 IEAF CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)C(N)=O 13833766 JKZCALXNJCQERK-UXHICEINSA-N 439.512 2.109 0 1 IEAF CC1(C)O[C@@H]2[C@H](O)[C@@H](COC(=O)c3ccccc3)O[C@@]2(COC(=O)c2ccccc2)O1 14719556 IMNKXAYTGBFQER-ZQAYVECASA-N 428.437 2.308 0 1 IEAF biogenic COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3nc(C)no3)C[C@]21C 36221485 ZSVADCKXEHDXBE-XOKLNVNFSA-N 448.472 2.099 0 1 IEAF O=C(c1cc(Cc2nnc(O)c3c2NCCC3)ccc1F)N1CCN(c2cnccn2)CC1 84687898 YPTKEKWQKTUVGP-UHFFFAOYSA-N 449.490 2.023 0 1 IEAF CN(C)C(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)C4CCC4)cc3C(=O)N2C)O1 95866585 OMZRRYJSGQRHIY-YVWKXTFCSA-N 429.517 2.284 0 1 IEAF COc1ccccc1C(=O)N1C[C@H]2[C@@H](c3ccccc31)[C@H](CO)N2C(=O)C1CCOCC1 95893364 IUOZFGPRILADDD-QNWVGRARSA-N 436.508 2.438 0 1 IEAF O=C(NCC[C@H]1CC[C@@H](NS(=O)(=O)Cc2ccccc2)[C@@H](CO)O1)C1CCCCC1 95903985 PJLYZSQZMHURAL-NJDAHSKKSA-N 438.590 2.101 0 1 IEAF COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)OC2 96937326 BXZCAVDRFWEBDU-GZOXUHRPSA-N 449.456 2.083 0 1 IEAF O=C(N[C@@H]1[C@H]2CC3C[C@@H]1C[C@@](O)(C3)C2)c1cnc(N[C@H]2CCOC2)nc1OC1CCC1 101584926 WOGPRQJEAZLPIH-IIEHGKAZSA-N 428.533 2.278 0 1 IEAF Cn1c(N2CCN[C@@H](c3ccc(Br)cc3)C2)nc(-c2ccncn2)cc1=O 116830422 ZDNCFHJMZAMVEZ-QGZVFWFLSA-N 427.306 2.151 0 1 IEAF O=C([C@H]1CN(c2ccc3[nH]c(C4(n5cc(Cl)cn5)CC4)nc3n2)CCO1)N1CCCC1 221395509 KHBJWFAXXHHLPR-MRXNPFEDSA-N 441.923 2.173 0 1 IEAF Cn1nccc1CS(=O)(=O)Cc1nc2c(Br)cnc(Br)c2[nH]1 586921876 OMVFMYVBYRMZCR-UHFFFAOYSA-N 449.128 2.331 0 1 IEAF COc1nccc2nc([C@H](NS(=O)(=O)c3ccc(CNC(C)=O)cc3)C(C)C)[nH]c12 586934745 APOOXZQAABKFOI-QGZVFWFLSA-N 431.518 2.278 0 1 IEAF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4cccnc4[nH]3)cccc12 586938807 XZXGWAHGZLOQMH-INIZCTEOSA-N 438.513 2.072 0 1 IEAF CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4c(Cl)ncc(C)c4[nH]3)cc2)CC1 586956564 ODRNJHNWDQAIDT-UHFFFAOYSA-N 433.921 2.440 0 1 IEAF O=S(=O)(c1ccc2nc(CSc3nnc(S)s3)[nH]c2c1)N1CCOCC1 587024464 AVLWIIRLBYBBQW-UHFFFAOYSA-N 429.574 2.016 0 1 IEAF CNC(=O)C[C@H]1COc2cc(F)c(CC(C)C)cc2N1C(=O)c1ccnc(NC(N)=O)c1 1857562639 NVMGBEWNMCNKHG-HNNXBMFYSA-N 443.479 2.454 0 1 IEAF Cc1ccc(CN2C[C@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccc5c(c3)OCO5)[C@@H]4C2=O)cc1 12469745 WBPHWHPHHILKKP-XSARVHFWSA-N 432.476 2.322 0 1 IEAF O=C(O)COc1ccc(Cl)cc1CN1CCN(S(=O)(=O)Cc2ccccc2)CC1 66112372 JBBOMVFXXYZQQP-UHFFFAOYSA-N 438.933 2.451 0 1 IEAF COCC(=O)N(C)C[C@H]1Oc2ncc(C3=CCCCC3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95701180 LYUORSVQLKBORB-CSODHUTKSA-N 445.560 2.364 0 1 IEAF O=C1CC[C@@]23/C=C\C(=O)NCCCCNCCCNC(=O)/C=C/c4ccc(c2c4)O[C@H]3C1 154392714 YIWJEBPTHXRHQF-ZAQMEVBISA-N 437.540 2.014 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2ccc(I)cc2O)C[C@@H]2CC[C@@H]1N2C 169370417 QYYWMLHRGDGTBW-HQRZJTNHSA-N 445.253 2.178 0 1 IEAF COC(=O)[C@H]1[C@@H](OC(=O)c2cccc(I)c2)C[C@@H]2CC[C@@H]1N2C 195241248 JVEGXDPSJZDCKL-ZQDZILKHSA-N 429.254 2.472 0 1 IEAF C[C@]1(CO)CCC[C@]2(C)[C@@H]1[C@@H](OC(=O)c1ccc(-n3oo3)cc1)C=C1C(=O)OC[C@@]12O 2356715777 QZSVUQMGYQDDIX-CDMCTNBCSA-N 431.441 2.222 0 1 IEAF COC(=O)[C@@H](C)N[P@](=O)(OC/C=C\Cn1cnc2c(N)ncnc21)Oc1ccccc1 26279092 XZMWWDJOKLNHNR-OWWUWSSBSA-N 446.404 2.320 0 1 IEAF CCOC(=O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1cn(C[C@H]2OCOC2(C)C)nn1 84739703 CUXQIJKULUWTHG-YQVWRLOYSA-N 446.529 2.249 0 1 IEAF CCC(=O)N1CC2(C1)CN(CC1CCOCC1)[C@H](CO)c1c2c2ccc(OC)cc2n1C 95865162 CGHYDWXRZBVQRQ-OAQYLSRUSA-N 441.572 2.453 0 1 IEAF COC(CC(=O)N[C@H]1CC[C@H](CCN2CCN(c3nccc4c3CCO4)CC2)CC1)OC 261075880 AVYIORKUKBQLOA-WGSAOQKQSA-N 446.592 2.213 0 1 IEAF COC(CN(C)c1nccc(N2CC[C@@H](Oc3ccc([C@H](C)NC(C)=O)cc3)C2)n1)OC 261126339 KFMSUSPUSJLNSQ-OXJNMPFZSA-N 443.548 2.387 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N(Cc2ccccc2OC)C(=N)N)[C@H]1NC(C)=O 299837562 RKUIKBULKBAEKC-CEWLAPEOSA-N 446.548 2.252 0 1 IEAF COc1cc2[nH]c(-c3ccc(S(=O)(=O)N4CCN(C(C)=O)CC4)cc3)nc2cc1C 586957364 ZZUHQDCFXKDIGO-UHFFFAOYSA-N 428.514 2.400 0 1 IEAF NC[C@H](Cc1ccc(Cl)cc1)c1nc2ccc(C(=O)N3CCN(CCO)CC3)cc2[nH]1 587069320 IOPJVSVMFIWYEA-SFHVURJKSA-N 441.963 2.251 0 1 IEAF CCCCN1C(=O)NC(=O)[C@@H]2[C@H]1N[C@H](CN(CC)Cc1ccc3ccccc3n1)N2CC 618015006 LNJHEFMLJFIKQX-FKBYEOEOSA-N 438.576 2.355 0 1 IEAF CN(C)CCNC(=O)Cc1cc(-c2ccc(C(=N)N)cc2)oc1-c1ccc(C(=N)N)cc1 1772652713 MKQHZEOFRPGXOB-UHFFFAOYSA-N 432.528 2.402 0 1 IEAF COc1cccc(C(=O)N2C[C@H]3COCCN3C3(C2)CN(C2CCC(F)(F)CC2)C3)c1 2356289666 XSIAYUCGOAUTDI-IBGZPJMESA-N 435.515 2.484 0 1 IEAF CC1=C[C@H](CN2CCN(CCO)CC2)[C@@H](C(C)C)C[C@H]1Cc1nnc(-c2cncn2C)o1 2356815438 CRKANTHHUDYECC-PWRODBHTSA-N 442.608 2.477 0 1 IEAF COc1ccc(CNC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccc3nsnc23)cc1 20281151 ZYIICRMQGPBREN-INIZCTEOSA-N 432.527 2.169 0 1 IEAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)[C@H](O)c3ccccc3)C[C@@H]12 25209398 JXHFZGCMKZHUFW-PZJWPPBQSA-N 431.448 2.285 0 1 IEAF biogenic CC(=O)NCSC[C@H](NC(=O)c1coc(-c2cccs2)n1)C(=O)NCc1ccco1 82084140 CKLCKRDNULHJLV-HNNXBMFYSA-N 448.526 2.238 0 1 IEAF C=C(Cl)C(=O)N[C@@H]1CC[C@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169366972 WCOOYUULXHMRKM-BFSZLSNYSA-N 430.932 2.194 0 1 IEAF COC(=O)[C@H](Cc1ccc(-n2nnc(-c3ccc(C(C)C)cc3)n2)cc1)N1C(=O)C=CC1=O 299852036 MJAWVTLWWODGNP-FQEVSTJZSA-N 445.479 2.462 0 1 IEAF COC(=O)[C@@H]1C[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)[C@H](C(=O)OC)CC1=O 587806544 JXOIOSFMHHHDMP-NYJWFSKHSA-N 442.281 2.259 0 1 IEAF CC(C)C1=C2[C@@H]3[C@H](O)C=C4[C@H]5O[C@H]6[C@](O)(CO[C@@H]7O[C@H]([C@@H]4[C@@]76O)[C@]3(C)CC[C@@]2(C)CC1)O5 2356323724 MNRQLHQVSXOFJM-GWLJHQHMSA-N 446.540 2.002 0 1 IEAF O=S1(=O)N[C@@H](Cc2ccccc2)COc2cc(NCCCN3CCOCC3)ccc21 96021156 XXKDIDSLCNJCGT-FQEVSTJZSA-N 431.558 2.103 0 3 IEAF N[C@@H](CC(=O)N1CCN(C(=O)c2ccc(C(=O)O)cc2)CC1)Cc1cc(F)c(F)cc1F 36479654 OJEKLVGMWTUETI-MRXNPFEDSA-N 449.429 2.047 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCCCC3)N(C(=O)CC3CC3)[C@@H]21 95880421 PHDAPFIOMPWKOY-DLBPWOILSA-N 439.556 2.184 0 1 IEAF CCNC(=O)C[C@H]1CC[C@@H]2[C@@H](COc3ccc(NC(=O)NC(C)C)cc3C(=O)N2C)O1 95888444 GCTHDWJSWMFTNQ-SZVBFZGTSA-N 432.521 2.123 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)N3CCc4ccccc4C3)[C@@H]2N1CC 100142396 SCCGZMIGIRUPAJ-XIRQTCQWSA-N 433.552 2.450 0 1 IEAF CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCNCC4)nn3)nc2n1C1CCCC1 117723206 FOLKOUOEUHFGOC-UHFFFAOYSA-N 435.536 2.191 0 1 IEAF CCOC(=O)[C@H](CCc1ccccc1)N[C@H](C)C(=O)N1C(=O)[C@@H]2CCCC[C@@H]2[C@H]1C(=O)O 261145719 NULRTLVWXFIIBM-XZEJUNMKSA-N 444.528 2.157 0 1 IEAF Nc1ncc(-c2cn3c4c(nc3c(N3CCOCC3)n2)CN(c2ccc(F)cc2)CC4)cn1 1772584464 OTDHPYIOOXCZJI-UHFFFAOYSA-N 446.490 2.307 0 1 IEAF O=C(CCN1CC2(CNC2)C1)Nc1sc2c(c1-c1nc3cnccc3s1)CCNC2 1857585671 LTWUFIXANFXNHW-UHFFFAOYSA-N 440.598 2.299 0 1 IEAF COCCNC(=O)[C@H](C)[C@@H]1CC[C@]2(C)CC[C@H](NC(=O)c3ccccn3)[C@H](C)[C@@H]2[C@H]1O 2356499238 YVPJFXRJOGVLRV-RXIXLSJOSA-N 431.577 2.402 0 1 IEAF CC(=O)O[C@@H](CN1CCN(c2ccccn2)CC1)Cn1sc2nc(C)cc(C)c2c1=O 31905655 PEJBOYJTKDNYMR-SFHVURJKSA-N 441.557 2.224 0 1 IEAF CCOc1ccc(Nc2nc(=O)n(CCO)c(=O)n2Cc2ccc(Cl)cc2)cc1F 200505753 UVRGSNWJIMHPJR-UHFFFAOYSA-N 434.855 2.380 0 1 IEAF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]3C[C@@]4(C)C(=O)[C@@]5(C)C[C@]3(CC[C@@H]12)O[C@@]41COC(=O)[C@H]1[C@H]5O 238758076 QXZNFWAPDOLGEF-ABGUQTIISA-N 444.524 2.341 0 1 IEAF COc1ccc2c(c1)OC[C@H]([C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]3C/C(=C\COCC(=O)O)C[C@H]31)O2 253634608 SDDDJXPNYQPJCG-YKIYVNOUSA-N 446.496 2.187 0 1 IEAF Cc1ccc(C(=O)N2[C@H]3CC[C@H]2[C@@H](N=c2cnc(C(F)(F)F)c[nH]2)C3)c(-n2ccnn2)n1 473179618 YKJKTWPHPTVCHC-QEJZJMRPSA-N 444.421 2.059 0 1 IEAF NS(=O)(=O)c1ccc2nc(-c3sccc3S(=O)(=O)Nc3cccnc3)[nH]c2c1 586954008 XLUAZLIBCKQQDL-UHFFFAOYSA-N 435.512 2.135 0 1 IEAF Cn1cnc(S(=O)(=O)N2CC3(C2)Oc2cc(O)ccc2C(=O)[C@@H]3c2ccc(F)cc2)c1 587370525 XSQMNBYSXKNEST-IBGZPJMESA-N 443.456 2.067 0 1 IEAF COC(=O)C(C(=O)OC)c1cc(OC)n(-c2cccc(C3=NC(C)(C)CO3)c2)c1OC 587935906 RKUSNMOQKWDQSR-UHFFFAOYSA-N 430.457 2.480 0 1 IEAF CCCCC[C@H](O)C=C[C@@H]1C(=O)C[C@H](O)[C@@H]1CC=CCCCC(=O)OC(CO)CO 2356343422 OCYWGBZEVKVWBQ-NRDMVMEKSA-N 426.550 2.063 0 1 IEAF O=C(NC[C@@H]1O[C@H](Cc2cc(-c3ccccn3)on2)CC[C@H]1O)c1ccc2c(c1)OCO2 2356471433 PHYWOKBIYYHKLF-CECAUBDESA-N 437.452 2.346 0 1 IEAF COc1cc2c(c3c1OCO3)OC(=O)[C@@H]1[C@@H]3C(=O)Oc4c(cc(OC)c5c4OCO5)[C@@H]3[C@@H]21 13373067 HNHCQUUVLUXLKO-SYQHCUMBSA-N 440.360 2.113 0 1 IEAF biogenic CCN(CC)CCNC(=O)c1cc(I)c(NC(C)=O)cc1OC 13814388 LINIANRIXLAKGR-UHFFFAOYSA-N 433.290 2.330 0 1 IEAF CC(=O)N1CC[C@H](CC(=O)O)[C@H](CCN2CCC(n3c(=O)[nH]c4ccccc43)CC2)C1 50806695 XRDVAJWPQLEUTM-QZTJIDSGSA-N 428.533 2.316 0 1 IEAF biogenic Nc1ncnc2c1C(=O)N(c1ccc(C3CCN(C(=O)c4ccon4)CC3)cc1)CCO2 96282561 OENHWYBGPDYEHF-UHFFFAOYSA-N 434.456 2.106 0 1 IEAF CCOC(=O)[C@@H]1[C@@H]2C=C[C@@]3(O2)[C@@H](C(=O)NCc2ccccc2)N(Cc2ccccc2)C(=O)[C@H]13 100264102 JTANUYXDYRTBMY-DTUNTVCMSA-N 446.503 2.217 0 1 IEAF COc1ncc(-c2cc3c(C)nc(N)nc3n([C@H]3CC[C@@H](OCCO)CC3)c2=O)cc1F 116015164 WOMVHFKOGGCXMG-SHTZXODSSA-N 443.479 2.384 0 1 IEAF C=C/C=C\CC(=O)O[C@H]1C(CO)=C[C@@H]2C(=O)[C@]3(C=C(C)[C@H](O)[C@]13O)[C@H](C)C[C@@H]1[C@H]2C1(C)C 238789323 AWRJTPFCJAMATC-PNWIKNRBSA-N 442.552 2.498 0 1 IEAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C(CN3CCOCC3)OCC2=O)N1 587777079 ZASVFKLRJQYJAJ-CWTRNNRKSA-N 425.298 2.133 0 1 IEAF CC(C)(C)c1[nH]cnc1/C=c1\nc(O)/c(=C/c2cccc(C(=O)c3cc[nH]c3)c2)nc1O 1857756038 SUDDRYXXTHWYAD-BJPQZVBLSA-N 429.480 2.125 0 1 IEAF CC(C)[C@@H]1N[C@@H]2N(C1=O)c1ccccc1[C@@]21C[C@H](n2cnc3ccccc3c2=O)C(=O)O1 2356850847 QAZBHZNAMAXISJ-TWXAQOBRSA-N 430.464 2.081 0 1 IEAF COc1ccc(Br)cc1-c1onc(C(C)(C)C)c1C(=O)NC[C@H](O)CO 776298 VVTMQHQOMLHUCF-NSHDSACASA-N 427.295 2.493 0 1 IEAF O=C(N[C@H](CCC(=O)N1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21)C(=O)O)OCc1ccccc1 29346013 IVXOVTQLQGFEFD-MHORFTMASA-N 432.473 2.391 0 1 IEAF CC[C@@H]1[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](c5ccoc5)OC(=O)C[C@@]45O[C@@]4([C@@H](O)[C@]1(C)C[C@@]24O)[C@@]35O 85644907 WRNDEBIWESHAGQ-RHNFBLSISA-N 444.524 2.485 0 1 IEAF biogenic,in-vitro COCC(=O)N1[C@@H](CO)[C@@H](c2ccc(-c3cccc(F)c3)cc2)C12CN(C(=O)C1CC1)C2 95667565 DSCNJYOKBNUMPO-JTHBVZDNSA-N 438.499 2.417 0 1 IEAF O=C(c1ccc2c(c1)OCO2)N1CC2(C1)[C@@H](c1ccccc1)[C@H](CO)N2C(=O)C1CCC1 95668549 PCYAIFIMZYBJKO-UGKGYDQZSA-N 434.492 2.397 0 1 IEAF COc1cccc(-c2ccc3c(c2)[C@H]2[C@H](CCN2C(=O)CN2CCOCC2)[C@@H](CO)N3)c1 95877695 FJZODPLOALIAFD-QFZRFWILSA-N 437.540 2.370 0 1 IEAF CCCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4F)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)CC 95879845 FTDITXASOKZPKY-NTSGDEEZSA-N 441.503 2.081 0 1 IEAF O=C(NC[C@@H](O)c1cnc2ncccn12)c1cc(Br)c(Br)[nH]1 103298135 HTIOQLIPCSTKTE-SNVBAGLBSA-N 429.072 2.046 0 1 IEAF COC(=O)CC[C@@]1(C)C(=O)CC[C@H]2[C@@H]1C(=O)C[C@@]1(C)[C@@H]2CC[C@@]12OCO[C@@]21COCO1 169325717 VCEDGOPEEROYHX-AMAXDVFZSA-N 436.501 2.374 0 1 IEAF Nc1ncnc(N2CCN([C@@H](CN3CCC3)c3cccc(F)c3F)CC2)c1-c1cn[nH]c1 219308854 DFZMVCDBKCYXSH-SFHVURJKSA-N 440.502 2.296 0 1 IEAF Cc1cccc2c1O[P@](=O)(OC[C@@H]1C[C@@H](O)[C@H](n3cnc4c(N)ncnc43)O1)OC2 253635709 ANQWWUWQNXMQBV-WNAMLEJLSA-N 433.361 2.099 0 1 IEAF Cc1nccc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 586938667 XMBHPVZNQSRZCK-OAHLLOKOSA-N 442.950 2.374 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3cccc4c3OC(F)(F)O4)CC1)CCC[C@H]2O 1772605655 UZUKFTSIGCBYIU-QGZVFWFLSA-N 448.470 2.065 0 1 IEAF CCNC(=O)N[C@@H]1CC[C@]2(C)CC[C@H]([C@H](C)C(=O)NCCN3CCCC3)[C@H](O)[C@@H]2[C@H]1C 2356837994 LPEKSOWODYIDBW-KDWXAGHCSA-N 436.641 2.346 0 1 IEAF CCc1ccccc1N1C(=O)CN(S(=O)(=O)CC)C[C@]1(C)C(=O)NC1CCCCC1 8590707 CNFLWWAJKMTYPP-JOCHJYFZSA-N 435.590 2.455 0 1 IEAF Cc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCC2(c3ccccc3)CCOCC2)o1 39485371 AJSPUHULGRUECY-NRFANRHFSA-N 425.529 2.143 0 1 IEAF O=S1(=O)C[C@@H](Cc2ccc(O)c(Br)c2)[C@H](O)[C@@H](NCc2ccccc2)C1 71319287 VMMOXGOGBPGNOE-AYBZRNKSSA-N 440.359 2.261 0 1 IEAF CCOC(OCC)N1C(=O)[C@]2(C(OCC)OCC)C[C@@H]3[C@H](OC(=O)N3N)c3cccc1c32 73352805 ZWYGWIYEIBJJQL-JLDZCNIISA-N 449.504 2.166 0 1 IEAF NCCn1c(=O)c(NCc2cc3ccccc3o2)c2n(c1=O)C[C@H](Cc1ccccc1)N2 82204975 PGLXVHDGDYGBIP-SFHVURJKSA-N 431.496 2.364 0 1 IEAF CCC(=O)N1[C@H](C(=O)N2CCCCC2)[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]21 95880199 GXHNZDFPQPSFOO-JVODISISSA-N 449.551 2.428 0 1 IEAF COc1ccccc1N1CCN(C[C@@H]2COC3(CCN(C(=O)C(F)(F)F)CC3)O2)CC1 299837585 RPHOENXERNUVOJ-MRXNPFEDSA-N 443.466 2.114 0 1 IEAF CN1CCN(Cc2ccc(NC(=O)c3ccc4nc([C@H](N)C5COC5)[nH]c4c3)cc2)CC1 587257067 UKQLTKBDFITAEL-JOCHJYFZSA-N 434.544 2.209 0 1 IEAF CCOc1cc(-n2c(OC)c(CC(=O)O)c(CC(=O)O)c2OC)c(Cl)cc1C(=O)O 587939561 CTVCFZPCFIYBKT-UHFFFAOYSA-N 441.820 2.499 0 1 IEAF Cc1ncsc1CCN1c2nc(N3C[C@@H]4C[C@H]3CO4)cc(=O)n2CC[C@H]1C(F)(F)F 1772636022 DKYPCFFSVZYGGI-YDHLFZDLSA-N 441.479 2.369 0 1 IEAF CCNC(=O)N1CCN(c2ccc(N3CCN(C(=O)NCC)[C@H](C)C3)c(C)c2)[C@@H](C)C1 199271690 ASBIBMMLIRCATQ-RBUKOAKNSA-N 430.597 2.475 0 3 IEAF CCCOc1nc(NCCc2ccncc2)ncc1-c1nnc(CN2CCN(C)CC2)o1 40423777 CRNIYOZEJRXXAF-UHFFFAOYSA-N 438.536 2.112 0 1 IEAF Cc1ccccc1CN(C)C[C@H]1OCc2cnnn2CCCC(=O)N([C@H](C)CO)C[C@@H]1C 95661075 UFUZIZHGCRPPRZ-MIZPHKNDSA-N 443.592 2.243 0 1 IEAF O=C(Nc1ccccc1)[C@H]1[C@H](CO)[C@H]2Cn3c(cccc3=O)[C@@H]1N2C(=O)c1ccc(F)cc1 95881085 SIEITLLZNQIPDB-SQMBMXPBSA-N 447.466 2.430 0 1 IEAF CNC(=O)Cn1cc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)cn1 103242954 KMHPBJQCKOVVBL-UHFFFAOYSA-N 435.507 2.257 0 1 IEAF COc1ccc(C(=O)N2C[C@H](Oc3nccc(C#N)c3C)CC[C@H]2C)c(-n2nccn2)n1 142876449 VBNZBEIKQYOXMG-RHSMWYFYSA-N 433.472 2.318 0 1 IEAF COc1ccccc1N1CCN([C@@H](C)CN2C(=O)N[C@H]3c4ccccc4N(C)[C@H]3C2=O)CC1 195445115 ZQYCWXVKNCHKFC-PDIWNELESA-N 449.555 2.317 0 1 IEAF CCCCO[C@H](C)/C=C/C1=C(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1(C)C 523042186 MXXZEBFTSFTTFC-JMGIDCHVSA-N 428.566 2.069 0 1 IEAF biogenic Cc1nccc2[nH]c([C@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc12 586938666 XMBHPVZNQSRZCK-HNNXBMFYSA-N 442.950 2.374 0 1 IEAF CC(=O)N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)c1ccc(Br)cc1 586984491 GENRQMRWHSHMTF-AWEZNQCLSA-N 437.319 2.393 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@](C[C@H]1NCCC[C@H]1O)(Cn1cnc3ccccc3c1=O)O2 587398952 GWFSQXUZBGGSDY-DNRQZRRGSA-N 448.523 2.194 0 1 IEAF C=CC(=O)Nc1cccc(-n2c(=O)n(C)c(=O)c3cnc(Nc4ccccc4OC)nc32)c1 1857555729 OEDCRKIYVXCDSK-UHFFFAOYSA-N 444.451 2.356 0 1 IEAF Nc1c(C(=O)NCCc2ccc(N3CCNCC3)cc2)sc2nc3c(cc12)CC[C@H]3O 1857594760 CKJISAGXNOAAKI-GOSISDBHSA-N 437.569 2.240 0 1 IEAF COc1cc2c(cc1OC)[C@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@@H](O)CO)CC2 1857744573 FTBRQQPRIQIFEI-ZHRRBRCNSA-N 433.501 2.030 0 1 IEAF COc1ccc(CC(=O)N2CC[C@H](CC(=O)O)[C@H](CCN3CCC(C(=O)O)CC3)C2)cc1 2356855138 QZSRDFKPJZNFEA-WOJBJXKFSA-N 446.544 2.364 0 1 IEAF COc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N(CCCO)CC(=O)N23)cc1OC 26771905 YSGQAXUNAKILFL-DVECYGJZSA-N 449.507 2.252 0 1 IEAF biogenic Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCc5ccccc5C4)cc3)cc2n(C)c1=O 29057258 XICBEZUAIRPALD-UHFFFAOYSA-N 444.491 2.196 0 1 IEAF CCCCO[C@H]1C[C@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82198613 MHSGLBLFZKLMJH-GRDNDAEWSA-N 442.940 2.254 0 1 IEAF C[C@H](NC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1C)c1ccccc1 95880223 UWBMZEWJBBTWPB-ZOAOAULPSA-N 444.535 2.381 0 1 IEAF O=C(C[C@H]1CC[C@H]2[C@@H](COC[C@H](O)CN2Cc2cccc(F)c2)O1)NCc1ccncc1 95886626 YDYIXAVQNXARTB-BXXSPATCSA-N 443.519 2.037 0 1 IEAF O=C1c2[nH]nc(NS(=O)(=O)c3ccc4ccccc4c3)c2CCN1CC1CCNCC1 96916170 FMWXMQAPBPJGSK-UHFFFAOYSA-N 439.541 2.362 0 1 IEAF Cn1ncc(NC(=O)c2nc(-c3ccncc3F)sc2N)c1[C@@]12CC[C@@H](N)[C@@H](CC1)O2 222634881 VSIQAEYHFDLEOB-WVSMJXTDSA-N 443.508 2.408 0 1 IEAF Cc1cc(=O)oc2cc(NCCOc3no[n+]([O-])c3S(=O)(=O)c3ccccc3)ccc12 299840825 WKHXJGFUGJRENZ-UHFFFAOYSA-N 443.437 2.047 0 1 IEAF Cn1c(=O)c2cc([C@]3(C)Oc4ccccc4C(=O)[C@H]3C(=O)c3ccco3)n(C)c2n(C)c1=O 587574810 CDBYSWOMFUSTIW-UUOWRZLLSA-N 447.447 2.158 0 1 IEAF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@]3(c4ccccc4CCC3(CO)CO)N12 962669944 PPUDORUMRXYWDY-UIOOFZCWSA-N 432.520 2.494 0 1 IEAF CCO[C@H]1OC(C(=O)N2CCOCC2)=C[C@@H](c2coc3ccccc3c2=O)[C@@H]1CCCO 13118544 VPFJJEAGJAQMOX-GXYVPTEVSA-N 443.496 2.401 0 3 IEAF COc1cccc(Cn2c(=O)c(-c3ccccc3)nc3cnc(N4CCNCC4)nc32)c1 4238662 WHYFQDIXMXWQAD-UHFFFAOYSA-N 428.496 2.320 0 1 IEAF COc1ccc(-c2cc(=O)c3c(O)c([C@@H]4C[C@H](O)[C@@H](O)[C@@H](C)O4)c(O)cc3o2)cc1O 14768348 VOXHZFGNVVKUEG-MFQUETILSA-N 430.409 2.157 0 1 IEAF biogenic O=C1CN2Cc3cc(OCCCC(=O)N(CCCO)C4CCCCC4)ccc3N=C2N1 26935842 OYHIGIPMQARNGC-UHFFFAOYSA-N 428.533 2.322 0 1 IEAF CC(C)C[C@@H](C[P@](=O)(O)CNC(=O)OCc1ccccc1)[C@@H](O)N[C@@H](C)C(=O)O 27879555 CGITWACPUYXSBM-BHYGNILZSA-N 430.438 2.184 0 1 IEAF CNCCNC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1 168334157 RBCVHTLZDDUSNT-LYIQGSDWSA-N 427.368 2.232 0 1 IEAF CCC(CC)(NC(=O)c1ccc(N2CC(OC)C2)c(OCC2CC2)n1)C(=O)N1CC(F)C1 473170845 RYSSHMFOXLUKBJ-UHFFFAOYSA-N 448.539 2.174 0 1 IEAF O=C1[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccccc3Cl)C2)C(=O)N1Cc1ccccc1F 2356291659 ZSIXCFXJSDNAMA-YLJYHZDGSA-N 443.906 2.038 0 1 IEAF CN(C)c1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NCc5ccccn5)CO[C@H]34)n2)cc1 2356311854 SUXMKFZIAUZZMS-SSGKUCQKSA-N 432.528 2.341 0 1 IEAF O=C(Nc1ccccc1)[C@@H]1O[C@H](CCN2C[C@@H]3C[C@H](C2)Cn2c3cccc2=O)CC[C@H]1O 2356874118 YSTPRJLNCYNSRM-GISKSNIRSA-N 437.540 2.205 0 1 IEAF COc1ccc(S(=O)(=O)NC(=O)[C@]2(C)CCN2C(=O)CCC2CCCC2)cc1OC 61927901 RWPAEEDSUHNNKA-NRFANRHFSA-N 438.546 2.470 0 3 IEAF O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1 1234975 UUOMSRLCASBMJS-BHTRVDPKSA-N 428.488 2.301 0 1 IEAF C[C@H]1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 13649663 QCMWWTVKMMAPML-JTQLQIEISA-N 432.402 2.487 0 1 IEAF Cc1cc(=O)n2nc(N3CCC[C@@H](C(=O)NCCCN4C[C@@H](C)C[C@H](C)C4)C3)sc2n1 15943631 JOCSURVIEWAIJI-XYJFISCASA-N 446.621 2.160 0 1 IEAF CN(C)S(=O)(=O)N(C)c1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 28979474 YWQBASDUNUNRBX-UHFFFAOYSA-N 444.488 2.478 0 1 IEAF Cc1ccc(C(=O)N2CCN(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)CC2)cc1 40763469 YSXVMPQKAZHVJY-QHCPKHFHSA-N 441.482 2.211 0 1 IEAF Cn1ncc(C(=O)N2CCOCC2)c1C(=O)Nc1ccn2cc(-c3ccccc3)nc2c1 68267365 YWXZEIPVVSJGRV-UHFFFAOYSA-N 430.468 2.460 0 1 IEAF Cc1ccc(-c2nc(C(=O)N[C@H](C(=O)NCCCN3CCN(C)CC3)C(C)C)co2)cc1 82070138 YKKAULNWCOWSFR-NRFANRHFSA-N 441.576 2.158 0 1 IEAF CO[C@@H]1CN(C)C(=O)c2cc(NC(=O)C3CCOCC3)ccc2OC[C@H](C)NC[C@H]1C 95688284 MUAQGGJYISSHLV-VWKPWSFCSA-N 433.549 2.145 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)c2cc(Br)cnc2O[C@@H]1CN(C)CC1CC1 95733853 RZLJZRNIDXVDGS-PBFPGSCMSA-N 426.355 2.406 0 1 IEAF O=C(NCCc1ccccc1)[C@H]1N[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@H]2[C@@H]1CO 95879485 DICKOTKFOVLBDH-ZQRMPTRQSA-N 429.520 2.125 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2cccc(F)c2)[C@@H](C(=O)N(C)C)[C@@H]1CO 95881343 WNLLOSWHNSGOOP-ZZSDCYFPSA-N 425.504 2.273 0 1 IEAF COC(=O)/C=C/C(=O)N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 100755372 ZHBOGKMSNKELPI-UAEMQWDYSA-N 438.524 2.055 0 1 IEAF CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N4CC[C@H](CO)C4)ncc3F)C2)cc1 261192991 ZVYNLOYJQSHMOT-RIFZZMRRSA-N 443.523 2.289 0 1 IEAF Cn1cc(NC(=O)c2cnn3ccc(=N[C@@H]4CCCC(F)(F)[C@@H]4N)[nH]c23)c(C(F)F)n1 473109884 UDSKLPJAJOGGAD-QMTHXVAHSA-N 440.405 2.002 0 1 IEAF NS(=O)(=O)c1ccc2nc(CCNS(=O)(=O)c3c(Cl)cccc3Cl)[nH]c2c1 586943093 VGUAFSBIIUVZOI-UHFFFAOYSA-N 449.341 2.038 0 1 IEAF Cn1nc(-c2nc3ccc(Br)nc3[nH]2)c(I)c1C(=O)O 587180392 PQZZFXZZSWZOFG-UHFFFAOYSA-N 448.018 2.424 0 1 IEAF Cc1cc(N)c2c(c1)C(=O)C[C@H](c1c(N3CCN(C)CC3)nc3c(C)cccn3c1=O)O2 587395361 QGIORVOVOKOMKU-LJQANCHMSA-N 433.512 2.352 0 1 IEAF COc1ccc(-n2c(N)c([C@H]3N[C@@H](C)Cc4c(OC)ccc(OC)c43)c(O)nc2=O)cc1 963606374 HLYRUCCYYPLJAI-YUNKPMOVSA-N 438.484 2.170 0 1 IEAF N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(=O)O)Cc2ccc(O)cc2[C@@H]1c1cncc(F)c1 963689160 ZOBNOVBHBRWIEE-FKBYEOEOSA-N 435.455 2.424 0 1 IEAF Cc1cnc(C(=O)N[C@H]2CCO[C@H](O)[C@@H]2O)cc1Cc1ccc(-c2cscn2)cc1 1857756889 CHHQBZRMBDOPBI-WEYGHZABSA-N 425.510 2.302 0 1 IEAF Nc1nccc(-c2ccc3nc([C@@H]4COc5ccc(C(=O)NCCO)cc5C4)[nH]c3c2)n1 49088996 ABKIKJSSEOZYNY-INIZCTEOSA-N 430.468 2.043 0 1 IEAF CC(C)(C)CCNc1c2n(c(=O)n(CCN3CCCC3=O)c1=O)[C@@H](c1ccccc1)CN2 82209278 PDXULOPJMXYZBM-GOSISDBHSA-N 439.560 2.495 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2ccc(-c3ccon3)s2)CCN1Cc1cc2cc[nH]cc-2n1 101153616 ZEYYFTJJSDUGPX-HNNXBMFYSA-N 443.510 2.310 0 1 IEAF Nc1nc2ncn(COC(COCc3ccccc3)COCc3ccccc3)c2c(=O)[nH]1 101736186 PLKLVEXRRNLWJY-UHFFFAOYSA-N 435.484 2.478 0 1 IEAF Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4c(C)nn(C)c4n3)CC[C@H]2C)c1 116778778 DTNYTXMENRFBHO-MRXNPFEDSA-N 445.531 2.302 0 1 IEAF C[C@H](N[C@@H](Cc1ccc(-c2cccc(Cl)c2)cc1)C(=O)Nc1nnnn1C)C(=O)O 117103690 XRNSYNJTRANIJE-SJCJKPOMSA-N 428.880 2.143 0 1 IEAF CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(C[C@@H](C)c4ccccc4)C[C@H]3N2C1=O 169307818 YGASRYBYIQPPRS-OORKMCPKSA-N 426.605 2.358 0 1 IEAF O=S(=O)(c1ccccc1C(F)(F)F)N1CCC[C@@H]1c1nc2c(O)nc(O)nc2[nH]1 587107689 FDNWKFJOQXRQJB-SECBINFHSA-N 429.380 2.309 0 1 IEAF CN(C)c1cc(Br)ccc1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963225540 VHVXQCQRFGQYGJ-ZVZYQTTQSA-N 444.333 2.086 0 1 IEAF COc1ccc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNCc4ccccc4C)[C@H](O)[C@@H]3O2)cc1 2356288494 FKNYXBJJWNIHCD-KHYNBEDJSA-N 440.540 2.086 0 1 IEAF O=C1[C@H]2C[C@H](O)CN2C2(CN(Cc3ccc(F)cc3)C2)C(=O)N1Cc1ccccc1Cl 2356311573 DMIXDGZRAJHNDU-AZUAARDMSA-N 443.906 2.038 0 1 IEAF CC=C(C(=CC)c1ccc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ccc(O)cc1 2356466100 TWHOURXATRMABC-JXSOMUMUSA-N 442.464 2.170 0 1 IEAF COc1ccc(CN(Cc2ccccn2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 1357105 SJFCCVGPOXJLAZ-UHFFFAOYSA-N 436.497 2.457 0 3 IEAF Cc1ccc(S(=O)(=O)Cn2nnnc2CN(Cc2ccco2)C[C@@H]2CCCO2)cc1 19211226 IDXCMRRDFJMWQM-SFHVURJKSA-N 431.518 2.187 0 3 IEAF O=C(CNS(=O)(=O)c1cccc2cccnc12)N1CCN(c2ccccc2F)CC1 28705048 UBAHSZDWGOAJEC-UHFFFAOYSA-N 428.489 2.001 0 1 IEAF CCCCNC(=O)c1cnc(NCCNC(C)=O)nc1-c1cc(OC)c(OC)c(OC)c1 82143512 QGCDYEAYGJUFTE-UHFFFAOYSA-N 445.520 2.247 0 1 IEAF O=C(CCCn1ccc(=O)[nH]c1=O)N1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 84757670 ZBQTYWZUWNJULN-OAQYLSRUSA-N 433.508 2.244 0 1 IEAF CCOCC[C@@]1(Oc2ccc(Oc3ccccc3Cl)cc2)C(=O)NC(=O)[C@@H](N)C1=O 101035036 KOKCTGWRLDNNGZ-UWJYYQICSA-N 432.860 2.229 0 1 IEAF Cc1cccc2nc(CCc3nc(-c4cccs4)cn3C[C@@H](O)CN(C)CCO)nn12 117867281 BWQZORUFLRURCV-KRWDZBQOSA-N 440.573 2.033 0 1 IEAF CC1=C[C@@H]2C=C(C)[C@H](C)[C@@H]3[C@H](CC(C)C)NC(=O)[C@@]32C(=O)C[C@H](O)[C@H](O)C[C@H](CO)C1 2356791980 JEPMATUFQDEVNO-MRIUJKSZSA-N 433.589 2.375 0 1 IEAF CCCCNC(=O)CNC(=O)c1nn(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc12 9776275 WGZABYYBLSKSGE-UHFFFAOYSA-N 438.484 2.049 0 3 IEAF Cc1ccccc1N1C[C@H](C(=O)Nc2nnc(SCCN3CCOCC3)s2)CC1=O 22627788 ZPVITULIEFILFT-OAHLLOKOSA-N 447.586 2.262 0 3 IEAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)[C@H]4CCCN4)C[C@H]2C(=O)N3)cc1 3840467 JLSBXGVFBXXEGW-WTOYTKOKSA-N 448.523 2.156 0 1 IEAF biogenic CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CC(=O)OCc1ccccc1)C(N)=O 5542135 BGVHOYOBTXOOIH-IAGOWNOFSA-N 435.521 2.029 0 1 IEAF O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)[C@H]1[C@@H]2C=C[C@@H](O2)[C@@H]1C(=O)O 13152979 AIWUHOMYUGXUCX-YRPNKDGESA-N 440.477 2.031 0 1 IEAF Cc1cccc2c1O[P@](=O)(OC[C@@H]1C[C@@H](O)[C@@H](n3cnc4c(N)ncnc43)O1)OC2 26720992 ANQWWUWQNXMQBV-OEZRASITSA-N 433.361 2.099 0 1 IEAF O=C(C(=O)N1CCN(C(=O)c2ccccc2)CC1)c1c[nH]c2c(-n3cccn3)ncc(F)c12 34820947 YSSKMBQYBUXJIA-UHFFFAOYSA-N 446.442 2.055 0 1 IEAF CN(C)S(=O)(=O)Oc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2 38147487 QSPZTSNQZUHYRV-UHFFFAOYSA-N 431.445 2.421 0 1 IEAF Nc1nc2c(cnn2CCCc2ccc(OCC(=O)O)cc2)c2nc(-c3ccco3)nn12 71418528 GSXIAHZRTUTOPR-UHFFFAOYSA-N 433.428 2.412 0 1 IEAF CN1CCN(CCCNC(=O)[C@@H]2CCCN(C(=O)c3coc(-c4cccs4)n3)C2)CC1 82081420 VNTCZEHCZZMAMK-QGZVFWFLSA-N 445.589 2.009 0 1 IEAF CCCN1C[C@H](C)[C@@H](OC)CN(C)C(=O)c2cc(NC(=O)COC)ccc2OC[C@@H]1C 95690480 ZSTCKDKDRWVGTF-FIKGOQFSSA-N 435.565 2.488 0 1 IEAF C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@@H]1CN(C)CC1CCCCC1 95834750 ZIMKOTFORJXDIC-WOIUINJBSA-N 435.613 2.315 0 1 IEAF COc1ccc(CCN2C[C@@]34C=C[C@H](O3)[C@@H](C(=O)NCc3ccccc3)[C@@H]4C2=O)cc1OC 102979222 ALWWKNUGHAHFPQ-KUZKVMKQSA-N 448.519 2.345 0 1 IEAF CC1(C)[C@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1[C@H](O)[C@H]3O)C(=O)C2 138739376 HTCWVBXKAAKRJK-BVBUJDMSSA-N 433.570 2.153 0 1 IEAF Cc1c(Cc2ccccc2)nnc(N2CCN(c3cnc([C@@H](O)CO)cn3)[C@H](C)C2)c1C 168373872 GRPLFVZGLYQPHG-ZHRRBRCNSA-N 434.544 2.215 0 1 IEAF C[C@H](Nc1cc(NC2CC2)n2ncc(/C=C3\NC(=O)NC3=O)c2n1)c1ccc2c(c1)OCO2 205024818 PCRPWGZGHIMSCB-AQCBWYQMSA-N 447.455 2.386 0 1 IEAF CS(=O)(=O)CCn1c(Cn2cc(S(C)(=O)=O)c3ccccc32)nc2ccccc21 206895229 BTQIICSIWXXENL-UHFFFAOYSA-N 431.539 2.487 0 1 IEAF O=C(c1ccc2nc(C[C@H]3OCCc4ccsc43)[nH]c2c1)N1CCN(CCO)CC1 587034450 GBINOSOQPWCDPR-LJQANCHMSA-N 426.542 2.231 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587222288 SKDRJQSDXOMVEM-GDBMZVCRSA-N 426.429 2.179 0 1 IEAF COC(=O)[C@@]12COC[C@@H](C[C@@]3(C1)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1)N2 587353653 ZRMZEMKCRXLJSP-KKPDNJFZSA-N 427.428 2.323 0 1 IEAF N=c1c(I)c[nH]cc1[C@H]1N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963240210 YIXXDGPQYWMOEB-RDJZCZTQSA-N 446.248 2.335 0 1 IEAF CO[C@]1(Cc2ccc3c(c2)OCO3)OC[C@@H]2[C@@H](Cc3ccc4c(c3)OCO4)OC[C@]21O 2356644393 DOHWIZQQMDSAHJ-XHBDVGQISA-N 428.437 2.048 0 1 IEAF COc1ccccc1N1CCN(C(=O)CSc2nnc(NC(=O)C3CC3)s2)CC1 1381620 IXGDASOJALJKCE-UHFFFAOYSA-N 433.559 2.336 0 3 IEAF CCOC(=O)Cc1csc(NC(=O)CN(C)S(=O)(=O)c2cccc3cccnc23)n1 6577419 CVNGFESWHQCMBK-UHFFFAOYSA-N 448.526 2.056 0 3 IEAF COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3c(C)nc4cccnn34)n2)cc1 3939948 UNSSDJPTUJYTGI-UHFFFAOYSA-N 439.501 2.163 0 1 IEAF COc1ccc(-c2ccc3c(c2)C(=O)N2CC[C@H](NC(=O)[C@@H]4CCCN4)C[C@H]2C(=O)N3)cc1 25200262 JLSBXGVFBXXEGW-HSQYWUDLSA-N 448.523 2.156 0 1 IEAF biogenic Nc1cc(Cn2c(C(=O)O)c(N3CCCNS3(=O)=O)c3cc(Cl)ccc32)ccn1 43204835 REXSJPCINJATSM-UHFFFAOYSA-N 435.893 2.063 0 1 IEAF O=C(NC1CCCC1)[C@H]1[C@H]2c3cccc(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cc(F)ccc1F 95879093 DIFXBMHICVOOCB-CZEIZJIKSA-N 443.494 2.349 0 1 IEAF O=C(Cc1ccccc1C(F)(F)F)N1CCN([C]2N=CN=c3sc4c(c32)C=CC=4)CC1 584904648 HQIWGRRESJEAFW-UHFFFAOYSA-N 443.474 2.460 0 1 IEAF in-vitro COc1cc2c(cc1OC)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(C[C@H](O)CO)CC2 1857744570 FTBRQQPRIQIFEI-KSFYIVLOSA-N 433.501 2.030 0 1 IEAF O=S(=O)(N[C@@H]1[C@H](c2ccc(C(F)(F)F)nc2)C[C@H](O)[C@@H]1O)c1ccc(Cl)cc1 2356773507 BCWCSISZDLWUIW-UGQVUOCMSA-N 436.839 2.310 0 1 IEAF COCc1cc(C[C@H]2CNCC[C@H]2CC(=O)N2CCN(c3ccccc3OC)CC2)no1 15673414 VOXMVADHQVCRRD-OALUTQOASA-N 442.560 2.337 0 1 IEAF biogenic CN(CCO)c1cc(C(=O)O)nc2c(-c3cccc4[nH]ccc34)nc(N3CCOCC3)nc12 143031343 RZVVAZPMZVFDBJ-UHFFFAOYSA-N 448.483 2.136 0 1 IEAF CCOC(=O)[C@H]1[C@H](c2ccc(C)cc2)c2oc(CO)cc(=O)c2O[C@@]1(O)C(F)(F)F 169291566 JGPVDMQJJVPTJR-QMTMVMCOSA-N 428.359 2.395 0 1 IEAF CC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(C2CC2)cnc1Nc1cncnc1 169701735 SMLBTBXKQMASDO-UHFFFAOYSA-N 448.487 2.036 0 1 IEAF Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@H](c1ccc(Cl)o1)N[C@@H](CO)C3 209511830 WUMANYADDBJJJH-DYVFJYSZSA-N 440.887 2.006 0 1 IEAF C[C@H]1CC(C)(C)N2C(=O)[C@@]3(c4cccc1c42)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963225937 WEXOSBVMJREOEC-NMMNFXCPSA-N 445.523 2.044 0 1 IEAF COc1cc(Nc2ncc3c(n2)CCN(C(=O)c2cc(C)nn2C)C3)cc(OC)c1OC 1772628673 HHSBCGXINLUMIN-UHFFFAOYSA-N 438.488 2.486 0 1 IEAF CC(C)C[C@@H]1NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NCCCCCCN(C)C1=O 1911584909 UIYBBMHSFJFMIB-HJNYFJLDSA-N 444.620 2.255 0 1 IEAF COc1ccc(CN2CCNC(=O)[C@@H]2CC(=O)NCCc2nc(C)c(C)s2)cc1C 11813586 IRGOSMWGRGBVDV-SFHVURJKSA-N 430.574 2.126 0 3 IEAF CC(C)CNc1ncnc2c1ncn2[C@H]1CN(Cc2ccc3c(c2)OCO3)C[C@@H](CO)O1 61907149 RAYFZUZXDDBEII-QFBILLFUSA-N 440.504 2.015 0 3 IEAF COC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](CN2CCC(=O)C2)C1 13832128 BSYJAYJSCWBHEZ-AWEZNQCLSA-N 428.316 2.090 0 1 IEAF COc1ccc2c(c1)[C@H](CC(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)CC2=O 26275815 UPBQIORKOUEFRI-RYGJVYDSSA-N 445.560 2.302 0 1 IEAF CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCC3(CC1)c1ccccc1[C@H](O)[C@@H]3O)C(=O)C2 27305487 HTCWVBXKAAKRJK-LEJSXIJDSA-N 433.570 2.153 0 1 IEAF CNCCc1cn(C2=C(c3c[nH]c4ccc(C(=O)NC)cc34)C(=O)NC2=O)c2ccccc12 29125455 JTJHGZCMMYEIKY-UHFFFAOYSA-N 441.491 2.269 0 1 IEAF O=C(c1ccc(F)cc1)N1CCN(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)CC1 40763423 YVNZCOAPWBZXKT-JOCHJYFZSA-N 445.445 2.041 0 1 IEAF CSc1ncccc1C(=O)N1C[C@@H](OCC2CCCCC2)C[C@@H]1C(=O)N[C@@H](C)CO 82208691 RMBIUPUSRMHUHG-VDZJLULYSA-N 435.590 2.481 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccccc4F)c3=O)[C@@H]1N2CC1CC1 95879531 LFPIRXRLTGHFSL-GFRNBQLOSA-N 425.504 2.164 0 1 IEAF O=C1[C@@H](NS(=O)(=O)c2cc3cccnc3s2)CCN1Cc1cc2c[nH]ccc-2n1 102189564 RDABAGHKNJZIMG-INIZCTEOSA-N 427.511 2.204 0 1 IEAF C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@H]2[C@@H](C)O)n1)c1noc(Cc2ccccc2)n1 226133690 RUTLACTVCZTWSF-ZOWXZIJZSA-N 428.424 2.469 0 1 IEAF C[C@@H](O)CN1CCN(C(=O)C[S@@](=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1772588489 XFZKBBHTWUSNLK-XHDOVSQSSA-N 436.524 2.328 0 1 IEAF Oc1nc(=NC[C@@H](O)CN2CCN(c3nccc4ccc(F)cc34)CC2)c2ccccc2o1 1857585975 ILSQZDCVJPCWKM-GOSISDBHSA-N 449.486 2.305 0 1 IEAF CC(=O)O[C@]1(C)CCC[C@@H]2[C@@H]3CCC(=CC(=O)OCCN(C)C)[C@H](C)[C@@H]3C(=O)[C@@H](O)[C@H]21 2356431089 CGJJTGYWQKZZSF-CBOKUCATSA-N 435.561 2.362 0 1 IEAF CC(=O)O[C@H](c1ccc2c(c1)OCO2)[C@@H]1COC(=O)[C@H]1C(=O)c1ccc2c(c1)OCO2 2356838584 MBJMKBFKBQUJHA-YFZFPPMRSA-N 426.377 2.420 0 1 IEAF C[C@H]1C[C@@H](C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4[nH]c(=O)ccc4c3)CC2)C1 9439220 DKTVCPPLJAVCIT-IYBDPMFKSA-N 431.558 2.433 0 1 IEAF C[C@@H]1CN(c2cc3c(c(N)c2F)c(=O)c(C(=O)O)cn3-c2ccc(F)cc2F)CCN1 13649661 QCMWWTVKMMAPML-SNVBAGLBSA-N 432.402 2.487 0 1 IEAF COc1cc(-c2cc(=O)c3c(O)c([C@H]4C[C@H](O)[C@@H](O)[C@@H](C)O4)c(O)cc3o2)ccc1O 14417460 ZRNTZPKUNIPEAL-OMYZVBASSA-N 430.409 2.157 0 1 IEAF CC(=O)NCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12 20356026 HBKNXOJJNCMAKV-UHFFFAOYSA-N 444.904 2.312 0 1 IEAF O=C(NCCCOc1ccc2nc3[nH]c(=O)[nH]c3cc2c1)N1CCN(c2ccccn2)CC1 26991108 SNDLNACVHKPQSO-UHFFFAOYSA-N 447.499 2.100 0 1 IEAF Nc1ncc2ncn(OCC(COC(=O)c3ccccc3)COC(=O)c3ccccc3)c2n1 29560650 BRMHYGZHMVBIIX-UHFFFAOYSA-N 447.451 2.167 0 1 IEAF C[C@@H](CO)N1C[C@@H](C)[C@H](CN(C)C)Oc2c(NC(=O)c3ccncc3)cccc2C1=O 95847064 PPTOEGBKCBKFEQ-GUXCAODWSA-N 426.517 2.116 0 1 IEAF Cc1ccc(CNC(=O)[C@@H]2C[C@H](N)CN2C(=O)Nc2cn(C(N)=O)c3ccccc23)cc1 143839129 PXUPDYVAXWSPHX-JXFKEZNVSA-N 434.500 2.126 0 1 IEAF CC(C)c1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@]4(CN(CCCN5CCOCC5)C(=O)[C@@H]24)O3)cc1 169365795 JCUAKYNOPWFLHK-OUMCCJGNSA-N 439.556 2.253 0 1 IEAF O=C1CCc2cc(N3CC[C@](O)(C(=O)NCc4cc(F)ccc4Cl)C3=O)ccc2N1 221279669 LLAQZXVXXJPFCA-NRFANRHFSA-N 431.851 2.148 0 1 IEAF N[C@@H](Cc1ccc(I)cc1)c1nc2ccc(-n3cnnn3)cc2[nH]1 587186248 SULQEAVSFRMLJN-ZDUSSCGKSA-N 431.241 2.386 0 1 IEAF O=C(Nc1nn[nH]n1)[C@@H]1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2ccccc21 621485731 IHTQGIHWIBWMDS-CYBMUJFWSA-N 438.391 2.150 0 1 IEAF CC(=O)N1CCc2cc(S(=O)(=O)N[C@H](C(=O)Nc3nc(C)cs3)C(C)C)ccc21 4099607 ODOKIVQUJPESHW-KRWDZBQOSA-N 436.559 2.302 0 3 IEAF C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)NC(=O)[C@H](N2CCOCC2)S3)C1 8812843 GNBLTIUNWWOICW-OPAMFIHVSA-N 432.590 2.241 0 1 IEAF COc1cc([C@@H]2c3c(cc4c(c3OC)OCO4)[C@H](O)[C@@H]3COC(=O)[C@@H]32)cc(OC)c1OC 14589757 URHSJDDWHFGDKK-YXUXOOTASA-N 444.436 2.418 0 1 IEAF biogenic Cc1cccc(NC(=O)N[C@@H]2CCc3ccccc3N(CC(=O)N3CCN(C)CC3)C2=O)c1 27984690 GNQCXUUHBSCALX-OAQYLSRUSA-N 449.555 2.239 0 1 IEAF Cc1nc([C@H](NC(=O)C(=O)Nc2ccc(F)c(F)c2)[C@H]2CCCCN2)sc1CCO 84758279 JGZOKWRUKQVHKG-NVXWUHKLSA-N 438.500 2.203 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(CCC(F)(F)F)[C@@H](C(=O)NC2CCC2)[C@@H]1CO 95869465 IGGZKJAIRPIHAS-RDJDPHQDSA-N 439.478 2.466 0 1 IEAF C[C@@H](OCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)c1ccc(-c2ccccc2)cc1 299819786 DKPSDLOOZAIQNL-GOZZSVHWSA-N 429.557 2.361 0 1 IEAF CCOc1ccc(-c2nn(C(=S)NCC(=O)NC)c(=O)c3ccccc23)cc1OCC 587670258 JPPYITUCTKUDPD-UHFFFAOYSA-N 440.525 2.330 0 1 IEAF COC1=CN(CC(=O)O)C(CO)=C[C@@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587760005 NNLLUAKCKQLVOH-MLCYQJTMSA-N 427.270 2.082 0 1 IEAF COc1ccc([C@H](O)[C@H](C)c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1 587937900 RAJAYYDMWGESSK-VBKZILBWSA-N 431.514 2.430 0 1 IEAF CO[C@H]1COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)[C@H](C)COC(=O)C/C=C/[C@@H]1C 33943457 KBHPPKYRDDJVFM-RKNFWCALSA-N 426.506 2.461 0 1 IEAF COC(=O)CCC(=O)N1CCc2c(c(=O)[nH]c3c2c(C2CCC2)nn3CC(F)(F)F)C1 82222873 HPNAPWNPMVINRT-UHFFFAOYSA-N 440.422 2.392 0 1 IEAF CNC[C@H]1Oc2c(NC(=O)CCC(F)(F)F)cccc2C(=O)N([C@H](C)CO)C[C@@H]1C 95663478 DMTVWJWHZKGOJZ-WOSRLPQWSA-N 431.455 2.407 0 1 IEAF O=C(N[C@@H]1CC[C@H](CC(=O)N2CCN(c3ccccc3)CC2)O[C@@H]1CO)c1ccccc1 95677202 AVWHUTQXLFJWQV-DNVJHFABSA-N 437.540 2.064 0 1 IEAF Cc1ccc(CN(C)C[C@@H]2OCc3cnnn3CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 95818610 WGPDLCVCGOLGPE-JTAQYXEDSA-N 443.592 2.243 0 1 IEAF O=C(C[C@@H]1CC[C@H]2[C@@H](COC[C@@H](O)CN2Cc2nccs2)O1)NCc1ccccc1F 95886059 FXMWNYSQGNRSJG-QGZVKYPTSA-N 449.548 2.098 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@H]([C@H]4C[C@H]43)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 169367873 KHOAMOKCCGVUEC-KSCVBYKOSA-N 443.979 2.309 0 1 IEAF CC(=O)N[C@@H]1[C@H]2OC(C)(C)O[C@H]2[C@@H]([C@H]2COC(C)(C)O2)O[P@@]1(=O)c1ccccc1 221138729 ZNQDHAKESODAIJ-VOLRFWRVSA-N 425.418 2.123 0 1 IEAF COc1cc2c3c(c1)O[C@@H](c1ccc(N4CCN(C)CC4)cc1S(C)(=O)=O)[C@@H](C2)C3=O 587448377 IPWRFGPGGWUZEI-MBSDFSHPSA-N 442.537 2.339 0 1 IEAF CN1CCN(C(=O)C2=C[C@H](c3coc4ccccc4c3=O)C[C@H](OCCCCO)O2)CC1 13656882 YMUWTQLVGTUPBT-HTAPYJJXSA-N 442.512 2.070 0 3 IEAF C[C@@H](NC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1)c1ccccc1 13678866 SGLDYCXUSGHLPC-OAHLLOKOSA-N 432.480 2.489 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)N(C(=O)c1ccccc1)CC31CN(C(C)=O)C1 95868588 MYBHZBPSPYTSKV-NRFANRHFSA-N 433.508 2.476 0 1 IEAF O=C(NCc1cccnc1)Nc1ccc(S(=O)(=O)N2CCC3(CCCN3)CC2)cc1 96271686 XPAAFTKNBOEGMR-UHFFFAOYSA-N 429.546 2.310 0 1 IEAF NS(=O)(=O)c1cccc(Nc2nccc(-c3ccnc(N4[C@@H]5CC[C@@H]4COC5)c3)n2)c1 101551315 GCIMHCJOZUYMTH-IAGOWNOFSA-N 438.513 2.297 0 1 IEAF CC(=O)NCCn1c(-c2ccccc2Cl)nc2c(N3CCN(C)CC3)nc(C)nc21 103243460 JNIAMAWGDBKLIP-UHFFFAOYSA-N 427.940 2.343 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(OCc4ccc(Cl)cc4)nc23)N1 205026561 YTWUMEOPIJMKEC-AUWJEWJLSA-N 425.836 2.111 0 1 IEAF CC(C)C1=C2[C@@H]3CC=C4[C@H](O)[C@@]5(O)CO[C@@H]6O[C@H]([C@@H]4[C@@]6(O)C5=O)[C@@]3(C)CC[C@]2(C)CC1 257670145 YHVXQLPNJVSDTP-VBSGCSPQSA-N 430.541 2.263 0 1 IEAF endogenous,in-man CCN(CC)S(=O)(=O)c1cc(S(=O)(=O)N(CC)CC)c2ccc(C)nc2c1O 299833860 AEHSKNRVYJOROX-UHFFFAOYSA-N 429.564 2.310 0 1 IEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@H]1C(=O)OC 587493044 PYDBCULZQKFILV-UNMCSNQZSA-N 445.493 2.381 0 1 IEAF CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](C(=O)C[C@]4(C)C(C5=CC(=O)OC5)=CC[C@]34O)[C@@]2(C)C[C@@H]1O 2356494932 XURSEJHINUAAFD-KSEUTKFUSA-N 444.524 2.245 0 1 IEAF C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[P@](=O)(O)C[C@@H](CCC(=O)O)C(=O)O 28563211 MYJJEKKTMAKVKT-IUODEOHRSA-N 443.414 2.300 0 1 IEAF CCCCO[C@@H]1C[C@@H](C(=O)NCc2ccc(OC)cc2OC)N(C(=O)c2cnccn2)C1 82199474 SDBDJSDNXHAMJW-QUCCMNQESA-N 442.516 2.210 0 1 IEAF O=C(N[C@@H]1CC[C@@H](CCn2cc(-c3cccnc3)nn2)O[C@H]1CO)c1ccccc1F 95676483 USSZBVMKFITLQI-SCWSEQNSSA-N 425.464 2.208 0 1 IEAF CO[C@H]1CN(C)C(=O)c2cc(NC(=O)c3cnccn3)ccc2OC[C@H](C)N(C)C[C@@H]1C 95687672 OHCKKWTUURNYIO-QYWGDWMGSA-N 441.532 2.165 0 1 IEAF CNC[C@H]1Oc2c(NC(=O)Nc3c(C)noc3C)cccc2C(=O)N([C@@H](C)CO)C[C@H]1C 95849809 MPDMLCBONFVZSW-FHSNZYRGSA-N 445.520 2.375 0 1 IEAF CNC[C@@H]1Oc2ccc(NC(=O)CCC(F)(F)F)cc2CC(=O)N([C@@H](C)CO)C[C@@H]1C 95857577 SFMSPGMXXHPKHG-DEYYWGMASA-N 445.482 2.336 0 1 IEAF CN(C)C(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]2N1Cc1ccccn1 95879195 OEYPCLBSXVUTTN-RLBLXZPPSA-N 434.540 2.063 0 1 IEAF COc1ccccc1-c1ccc2ncc3c(c2n1)n(C1CCN(C(=O)CO)CC1)c(=O)n3C 118534960 GRHZRVMBLWRWPF-UHFFFAOYSA-N 447.495 2.115 0 1 IEAF CCc1nnc(CS(=O)(=O)c2cccc(-c3nc4cc(C(=O)OC)ncc4[nH]3)c2)o1 586923565 QIIKMPMNLCRFLA-UHFFFAOYSA-N 427.442 2.331 0 1 IEAF O=S(=O)(NCc1nc2c(F)cnc(Br)c2[nH]1)c1ccc2c(c1)OCCO2 586941868 OWKOTKOARUGELG-UHFFFAOYSA-N 443.254 2.109 0 1 IEAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)c1nc2ccc(Oc3ccccc3)cc2[nH]1 587222292 SKDRJQSDXOMVEM-HOCLYGCPSA-N 426.429 2.179 0 1 IEAF C[C@H]1CSC[C@]12c1cc(O)ccc1C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc1ccccc1 963687559 OAWBDDVOKAGHNE-NJLMVQEGSA-N 426.538 2.378 0 1 IEAF COC1=C(C)C(=O)OC1=C1O[C@@]23CCCN4[C@H]([C@@H]5C[C@H](C)C(=O)O5)C[C@H](O2)[C@H]4[C@@H]3[C@H]1C 2356453371 VWLSPPQJJDUUFR-KQRGLCQESA-N 431.485 2.241 0 1 IEAF CCO[C@@H]1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C[C@H](C)[C@H]1CCCO 13656859 JNYPXGFYPDRDGO-RGZWJVDOSA-N 446.544 2.361 0 3 IEAF C[C@@H]1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cc(Br)cnc2N)[C@@H]1C 15935171 FJFWDXCJWLJHKP-NQBHXWOUSA-N 433.372 2.036 0 3 IEAF NC(=O)c1ccc2cc(C(=O)N3C[C@@]4(CCN([C@H]5CCNC5)C4)c4ccccc43)[nH]c2c1 73240320 ATTQMMYACVSETC-BVZFJXPGSA-N 429.524 2.233 0 1 IEAF Cc1cccc(CN(C)C[C@@H]2OCc3cn(nn3)CCCC(=O)N([C@H](C)CO)C[C@@H]2C)c1 95818537 MEJUTVOAQGGYHA-MZKRTTBSSA-N 443.592 2.243 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(-c4ccc(OC)cc4)c3=O)[C@@H]1N2CC1CC1 95881592 ZKVVKUIGPSFRPG-LGKPFJOYSA-N 437.540 2.034 0 1 IEAF CCN(CCOC)c1nccc(-c2sc(NC(=O)N3CCC[C@@]3(C)C(N)=O)nc2C)n1 98194762 VNCLYYOFADQXBO-FQEVSTJZSA-N 447.565 2.253 0 1 IEAF Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(OCCn3ccnc3)c2c1=O 115622786 TXKGXCJVJGSYIQ-UHFFFAOYSA-N 432.484 2.108 0 1 IEAF COc1cc2c3c(c1)O[C@@](C)(c1cccc(S(=O)(=O)NCCC(=O)O)c1)[C@@H](C2)C3=O 587451427 YARILNCBUZYEMB-KKSFZXQISA-N 431.466 2.111 0 1 IEAF COc1ccc(C=O)c(-c2nc3cc(S(=O)(=O)N4CCOCC4)ccc3[nH]2)c1OC 587799239 XKCXSZALSZPSQQ-UHFFFAOYSA-N 431.470 2.081 0 1 IEAF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H]1CN(S(C)(=O)=O)CCO1 587866079 DULLFHPFKYAKFH-HNNXBMFYSA-N 447.435 2.268 0 1 IEAF CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1[C@H](C(N)=O)Cc2ccc(O)cc2[C@]12C[C@H](C)[C@H]2C 961789728 VECUGHHWPMAJAH-HONOJIJCSA-N 449.551 2.249 0 1 IEAF CS(=O)(=O)NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 1260313739 HUTZPFRSAVKWGC-UHFFFAOYSA-N 437.326 2.413 0 1 IEAF COc1cc(CCn2cnc3ccc(S(=O)(=O)N4CCCC4)cc3c2=O)cc(OC)c1 1857556302 CMYPBEGQXFPIIC-UHFFFAOYSA-N 443.525 2.441 0 1 IEAF COc1cccc2c1OCC[C@@]2(O)CNS(=O)(=O)c1cccc(Br)c1 1857587154 IWSYUQDLZHWUQC-QGZVFWFLSA-N 428.304 2.406 0 1 IEAF O=C(N[C@@H]1[C@H](c2ccc(N3CCOCC3)nc2)C[C@@H](O)[C@@H]1O)c1cc2ccccc2s1 2356286523 CJWKDAUDEUBYHZ-DVRVPYBTSA-N 439.537 2.141 0 1 IEAF C[C@]12CC[C@@H](O)[C@](C)(CO)[C@H]1Cc1sc(=N)[nH]c1[C@H]2CC(=O)NCc1cccnc1 2356606823 GFHGJEPRRYUQDJ-MOTVZJEFSA-N 430.574 2.073 0 1 IEAF C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1 15952271 MMCQUALYZOZDBO-INIZCTEOSA-N 432.480 2.470 0 3 IEAF O=C(NCCCN1CCCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1 9615885 BEXRSPAFDDVNTL-UHFFFAOYSA-N 449.577 2.006 0 1 IEAF N=C(N)c1ccc2[nH]cc(CC(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cn3)c2c1 13835121 MHQCUWRJCISVQE-UHFFFAOYSA-N 448.508 2.343 0 1 IEAF CC(C)C[C@H](O[P@](=O)(O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)N[C@H](C)C(=O)O 40655656 HXDXVKHKXNKZKA-YCPHGPKFSA-N 444.421 2.465 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@H](CO)NCC31CN(S(=O)(=O)c2ccc(C)cc2)C1 95663075 WHTCQRCGQGHDMI-IBGZPJMESA-N 441.553 2.074 0 1 IEAF CO[C@H]1CN(C)C(=O)c2ccc(NC(=O)C3CC3)cc2OC[C@@H](C)N(C(C)=O)C[C@H]1C 95691746 NHANBWHFHPMELO-PZPWOCDFSA-N 431.533 2.388 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Cc3ccccc3)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95847077 UUZQFXCTZXHTQI-GSHUGGBRSA-N 425.529 2.307 0 1 IEAF Cc1cc([C@H](C)Nc2ccccc2S(=O)(=O)O)c2nc(N3CCOCC3)cc(=O)n2c1 299835476 WMLDTFQKLBZWNI-HNNXBMFYSA-N 444.513 2.259 0 1 IEAF Cc1cnc2[nH]c([C@@H](CCS(C)(=O)=O)NS(=O)(=O)c3ccc(Cl)cc3)nc2c1 586937094 QDQOYYJJXZWOLL-CQSZACIVSA-N 442.950 2.374 0 1 IEAF CCS(=O)(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586947287 VRFVZVAOGYQTNC-OAHLLOKOSA-N 449.554 2.481 0 1 IEAF NS(=O)(=O)c1cccc2nc(-c3ccc4ncc(I)n4c3)[nH]c12 587188725 WAJLCPHMPBJWSZ-UHFFFAOYSA-N 439.238 2.130 0 1 IEAF CCCc1c(O)ccc2c1O[C@@]1(CC2=O)c2ccccc2S(=O)(=O)N(C)[C@@H]1C(=O)O 587495130 ZUVKMGXDWYOGGW-CTNGQTDRSA-N 431.466 2.293 0 1 IEAF CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](NC(=N)NC(=O)c2cccc(C)c2)[C@H]1NC(C)=O 1772586466 TXDASGMQHAARGD-XUVXKRRUSA-N 444.532 2.111 0 1 IEAF COc1cc2c(cc1OC[C@@H](O)CN1CCN(c3ccccc3)CC1)C(=O)[C@H](C)OC2 1857535813 XASXLXISYBWMCD-PXNSSMCTSA-N 426.513 2.359 0 1 IEAF O=C1Nc2ccc(-c3ccco3)cc2C(=O)N2CCN(C(=O)[C@@H](O)c3ccccc3)C[C@H]12 5396405 JXHFZGCMKZHUFW-CTNGQTDRSA-N 431.448 2.285 0 1 IEAF biogenic COc1cccc(OC)c1-c1ccc(C[C@H](NC(=O)[C@]2(C)O[C@@H](C)C[C@H]2N)C(=O)O)cc1 13442331 YUOMCSBLOMSMSI-ZLYMTOCHSA-N 442.512 2.378 0 1 IEAF CNCC(=O)N[C@H]1CCN2C(=O)c3cc(-c4ccc(Cl)cc4)ccc3NC(=O)[C@H]2C1 25202224 YWFAHMQOGKOKCD-QFBILLFUSA-N 426.904 2.268 0 1 IEAF biogenic CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CO)[C@@H](OC(=O)CC(c3ccccc3)c3ccccc3)[C@@H]2O1 26939605 HHNWXOWLXJDALQ-LCNLMQJVSA-N 428.481 2.350 0 1 IEAF O=C(O)CN1C(=O)[C@@H](N[C@@H](CSCc2ccccc2)C(=O)O)CCc2ccccc21 29392657 XCJANLVRPWZEHK-ROUUACIJSA-N 428.510 2.395 0 1 IEAF N[C@@H](CC(=O)N1CCN(C(=O)c2cccc(C(=O)O)c2)CC1)Cc1cc(F)c(F)cc1F 36479653 LJDGJZNBWICGDO-MRXNPFEDSA-N 449.429 2.047 0 1 IEAF COc1ccccc1N1CCN(CCCN2C(=O)N[C@H]3c4ccccc4O[C@H]3C2=O)CC1 40980086 MJAGDZMQLUKTIZ-FCHUYYIVSA-N 436.512 2.261 0 1 IEAF O=S(=O)(N[C@H]1Cc2ccc(Cn3cc(CO)c(C(F)(F)F)n3)cc2C1)C(F)(F)F 66258440 JPWWDNPOUAOMQE-ZDUSSCGKSA-N 443.369 2.349 0 1 IEAF COc1cccc(CC(=O)OC[C@H]2OC(=O)N[C@@H]2CN2CCN(c3ccccc3)CC2)c1 72105885 UJSZAFISILYWCF-FGZHOGPDSA-N 439.512 2.080 0 1 IEAF CNC[C@H]1Oc2ccc(NC(=O)Nc3c(C)noc3C)cc2C(=O)N([C@H](C)CO)C[C@@H]1C 95836767 HGTBFUICODGLJG-XEKQOVJPSA-N 445.520 2.375 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)C1CCOCC1)CC31CCN(C)CC1 95865196 GXZGYWQVAMSKEN-FQEVSTJZSA-N 427.545 2.442 0 1 IEAF COC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4ccccc4)c3=O)[C@@H]2N1Cc1ccccn1 95881431 HHLLHWFWRSRSTM-RLBLXZPPSA-N 431.492 2.247 0 1 IEAF CC(C)(O)[C@H]1CN(c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)CCO1 206127778 UQDAVBWADZJLOV-QGZVFWFLSA-N 434.543 2.468 0 1 IEAF CC(C)Cn1c(N)c([C@@H]2N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587756361 DFHDUXPDQATQKW-QLJPJBMISA-N 439.329 2.310 0 1 IEAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CS(N)(=O)=O)(c2ccccc2N)N1 587840133 JQZYYEZFHWJNBC-BTDLBPIBSA-N 428.327 2.237 0 1 IEAF COCCc1ccc(Cc2cc3c(cc2Cl)CO[C@]32O[C@H](C)[C@@H](O)[C@H](O)[C@H]2O)s1 1857543986 LZXCPGFVZPKOBL-YIVYVHBTSA-N 440.945 2.366 0 1 IEAF CCCCC(=O)Nc1cc2ccc(O[C@@H]3OC(C)(C)[C@H](OC)[C@@H](O)[C@H]3O)c(C)c2oc1=O 1857568568 NPIVGEQHWHEQAP-XHYAQGIWSA-N 449.500 2.481 0 1 IEAF CC(=O)N1C[C@H](Cc2ccc(Cl)cc2)N(C2CCN(c3nc(=N)[nH][nH]3)CC2)C[C@@H]1C 1857763039 XKTLMQFXVCRIDS-LIRRHRJNSA-N 431.972 2.003 0 1 IEAF CC1=CC(=O)O[C@H]2C[C@@H](CC[C@H](C)C=CCC1)O[C@](O)([C@H]1CS(=O)(=O)C(=O)N1O)C2 2356391903 IBVAIJGYBYPIEI-RGCXKDKSSA-N 443.518 2.087 0 1 IEAF COc1ccc(C(=O)N2C[C@H]3COCCN3C3(C2)CN(C2CCC(F)(F)CC2)C3)cc1 2356747956 IUNXHMVYUVCNRH-IBGZPJMESA-N 435.515 2.484 0 1 IEAF COc1cccc([C@H](CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)C[C@@H](C)O3)c1 15936542 FAXHCUHRNHNNOJ-ACJLOTCBSA-N 448.497 2.323 0 3 IEAF COc1cc([C@@H]2c3cc4c(c(O)c3C(=O)[C@H]3CCC(=O)N32)OCO4)cc(OC)c1OC 1856976 BARMBVQBEBSKCX-KZULUSFZSA-N 427.409 2.423 0 1 IEAF N[C@H]1CCN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nc3ccccc3s2)C1 27642717 MSKUTUNEQWERKT-JTQLQIEISA-N 425.445 2.370 0 1 IEAF COc1ccccc1CCNc1nc(NC[C@H](O)CO)nc2cc(OC)c(OC)cc12 82128335 AYRNJSLIRSTOFM-HNNXBMFYSA-N 428.489 2.075 0 1 IEAF CCNC(=O)[C@@H]1[C@@H](CO)[C@@H]2Cn3c(ccc(-c4cccnc4)c3=O)[C@@H]2N1Cc1ccccc1 95880995 XKGSMKGPIOEKIT-ZQRMPTRQSA-N 444.535 2.210 0 1 IEAF CN(C)CC(=O)Nc1ccc2c(c1)[C@@H]1C[C@H](CC(=O)NC3CCCCC3)O[C@H](CO)[C@@H]1O2 95901653 KRQAAGOFZVBHDO-RMIRKMSDSA-N 445.560 2.020 0 1 IEAF CC1(COc2nc(C(=O)NC3(c4nccs4)COC3)ccc2Br)COC1 143427345 ZZWNOXVAJZKUTB-UHFFFAOYSA-N 440.319 2.371 0 1 IEAF CC(=O)OCC1=C2[C@H](OC(=O)C/C=C(\C)O)C[C@]3(C)O[C@@H]3CC[C@]3(C)O[C@@H]3[C@@H]2OC1=O 238779184 HNFFTJOYSZQICG-LJOIUTTMSA-N 436.457 2.034 0 1 IEAF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2cccc(O)c2[nH]1 586937643 SHAGDKSFUVRXKZ-CQSZACIVSA-N 443.934 2.376 0 1 IEAF COc1ccc(C(=O)N2CCN(c3cncc4sc(C(N)=O)c(N)c34)CC2)cc1F 621429237 NAGVJXSCILRUHP-UHFFFAOYSA-N 429.477 2.088 0 1 IEAF COc1cccc2c3c(cnc12)CCN[C@H]3c1ccc(S(=O)(=O)NCCC(=O)O)cc1 963044748 CMRGUMZMFQAOPN-NRFANRHFSA-N 441.509 2.232 0 1 IEAF C[C@H]1CC(C)(C)N2C(=O)[C@]3(c4cccc1c42)c1[nH]cnc1C[C@H]1C(=O)N2CCC[C@H]2C(=O)N13 963225936 WEXOSBVMJREOEC-NFUPOUCOSA-N 445.523 2.044 0 1 IEAF Cc1nc2n(c(=O)c1CCN1CCN(c3nsc4ccccc34)CC1)CCC[C@@H]2O 1772576686 NTVYYBXYUYDMTO-SFHVURJKSA-N 425.558 2.353 0 1 IEAF NC[C@H](NC(=O)c1ccc(-c2ccc(C(F)(F)F)cn2)[nH]1)c1ncc([C@@H](O)CO)s1 1857570188 MHTLFAPXOJXGHR-KBPBESRZSA-N 441.435 2.008 0 1 IEAF O=C1CC[C@]23C=CC(=O)NCCCCN4CCCN(C4)C(=O)C=Cc4ccc(c2c4)O[C@H]3C1 2356465405 QRISBUREZACXLK-OZXSUGGESA-N 449.551 2.410 0 1 IEAF COc1ccc(Cl)cc1-c1ccc2c(c1)C(=O)N1C[C@@H](NS(C)(=O)=O)C[C@H]1C(=O)N2 8294991 CMWUUNWWMITIDV-GUYCJALGSA-N 449.916 2.100 0 1 IEAF biogenic C[C@@H]1CCCCN1CCNC(=O)c1ccc2c(=O)n(Cc3ccccc3F)c(=O)[nH]c2c1 28641876 AOLGZMJZRSLWPD-MRXNPFEDSA-N 438.503 2.481 0 1 IEAF COc1cc([C@H]2[C@@H](O)N(C)C(=O)[C@]23CCCN3)c(Br)cc1Br 39182004 ZNKJMNWJZBGNNZ-GUTXKFCHSA-N 434.128 2.216 0 1 IEAF COc1ccccc1N1CCN(CCN2C(=O)[C@@H]3Oc4ccccc4[C@@H]3N(C)C2=O)CC1 40977290 ZZWVNTAISAHQHB-FCHUYYIVSA-N 436.512 2.214 0 1 IEAF CC[C@H](C)NC(=O)c1cnc(NCCNC(C)=O)nc1-c1cc(OC)c(OC)c(OC)c1 82144565 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2.131 0 1 IEAF CC(C)[C@H](NC(=O)Cn1ccc2c3cccc(C(N)=O)c3nc-2c1O)C(=O)C(F)(F)F 100729424 RZEMDBOIYOXJAX-AWEZNQCLSA-N 436.390 2.218 0 1 IEAF Cn1nnnc1CN(C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)C(C)(C)C 146355220 JKIKFAURGUYMDC-UHFFFAOYSA-N 435.479 2.290 0 1 IEAF O=C(Nc1ncc(Br)s1)[C@@H]1[C@@H]2CC[C@H]([C@H]1C(=O)N[C@@H]1CCNC1)C21CC1 168416018 IIOBHXCGPITHPJ-KHQUWSPVSA-N 439.379 2.375 0 1 IEAF CN(C)C[C@H]1CN(c2c(F)cc3c(=O)c(C(=O)O)c4scc5n4c3c2N(C)C5)CCO1 169334387 SGSFRDWSXXVGAB-LBPRGKRZSA-N 446.504 2.068 0 1 IEAF CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C[C@H](C)O)c4n3)nn2)CC1 169706859 XSOPTVSJUMSGRC-AWEZNQCLSA-N 433.520 2.082 0 1 IEAF C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@]2(OC)C[C@@H]1[C@@]5(COC(C)=O)C(=O)OC 238786849 VDLKMXAKUHLWFE-XNNUNMOLSA-N 440.496 2.153 0 1 IEAF CCNC(=O)c1ccc(CSc2cccc3c2CN([C@H]2CCC(=O)NC2=O)C3=O)cc1 1857599304 WULSTSSJYLCSNT-SFHVURJKSA-N 437.521 2.490 0 1 IEAF O=C([C@@H](O)c1ccccc1)N1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)CC1 199244008 JBLKXNSBLKIYIC-KRWDZBQOSA-N 444.431 2.152 0 3 IEAF CC(=O)O[C@H]1CCC(=O)[C@]2(C[C@@H](c3ccoc3)OC2=O)C[C@@H]2C(=O)C[C@@]3(C)OC[C@@]12O3 14765251 DYTCVGOCYHROAB-RAORJWIQSA-N 432.425 2.030 0 1 IEAF C[C@@H](O)[C@@H]1C(=O)NC2=Nc3ccc(OCCCC(=O)N(C)C4CCCCC4)cc3CN21 26936507 HCBHJNHOGXHCLR-QVKFZJNVSA-N 428.533 2.319 0 1 IEAF CC(=O)N(C)CCN(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c2ncccc12 34820432 UFMLZMGXQKBRGT-UHFFFAOYSA-N 425.464 2.319 0 1 IEAF CCCCO[C@H]1C[C@@H](C(=O)N[C@@H](C)CO)N(C(=O)c2cc(OC)c(OC)cc2Cl)C1 82198615 MHSGLBLFZKLMJH-ZQIUZPCESA-N 442.940 2.254 0 1 IEAF COc1cccc(-c2cnc3c(c2)C(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)C(C)=O)O3)c1 95714276 UCUKQPKVMMJLHS-MCFFVMPBSA-N 441.528 2.456 0 1 IEAF COc1ccc2c3c([nH]c2c1)[C@H](CO)N(C(=O)CN(C)C)CC31CN(Cc2ccccc2)C1 95865268 ZMIWXYNHZBOZQY-QFIPXVFZSA-N 448.567 2.367 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(-c4ccc(C(=O)N5CCC5)s4)nc23)N1 144890857 YGYIYOOLZFHQKD-ZSOIEALJSA-N 449.496 2.058 0 1 IEAF O=C1[C@H]2[C@@H]3CC[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1CCCCN1CCN(c2nccnc2Cl)CC1 169367872 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O=C(NCCCc1nc2nc(N3CCC[C@H]3CO)ccc2[nH]c1=O)OCc1ccccc1 82231477 CWKDTEWIYARRLH-KRWDZBQOSA-N 437.500 2.138 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@@H]2N(Cc2ccncc2)[C@@H](C(=O)NC2CCCC2)[C@@H]1CO 95881288 UPTSYRZATHZQLF-GFEJELKZSA-N 448.567 2.499 0 1 IEAF O=C(Nc1ccccc1)N[C@@H]1CC[C@@H](CCn2cc(C3(O)CCCC3)nn2)O[C@H]1CO 95905471 QZSZBTGLPLZCGV-OTWHNJEPSA-N 429.521 2.160 0 1 IEAF C/C=C/c1ccc2n(c1=O)C[C@H]1[C@H](CO)[C@@H](C(=O)NCc3ccccc3F)N(CC)[C@@H]21 100139666 IDYYFMVECDQCRM-JWVQJZPJSA-N 425.504 2.320 0 1 IEAF CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(CCO)cc3[nH]2)C(C)C)cc1 586933230 NWQCZQZHZFKEJH-OAQYLSRUSA-N 444.557 2.409 0 1 IEAF NS(=O)(=O)c1ccc(CCNC(=O)[C@@H]2CCn3c(C(=O)c4ccccc4)ccc32)cc1 1857762688 UYMJAVPMWBAECG-LJQANCHMSA-N 437.521 2.213 0 1 IEAF COCCC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc(NC(=O)Nc2ccccc2OC)c1=O 25223906 DHAWOXULAIRBQN-CVEARBPZSA-N 440.500 2.483 0 1 IEAF biogenic CC[C@H](C)C(=O)N1CCN(c2ccc(N3C[C@H](Cn4cc(C)nn4)OC3=O)cc2F)CC1 43076143 ISQQFPMRGFBVNG-YJBOKZPZSA-N 444.511 2.446 0 1 IEAF NC1=NC2(CCCCC2)N(OCCCCCCN2C(=O)c3ccccc3C2=O)C(N)=N1 45324564 MQUBOQDNXIMZSS-UHFFFAOYSA-N 426.521 2.380 0 1 IEAF CCNC(=O)[C@H]1[C@H]2c3ccc(-c4ccccc4)c(=O)n3C[C@@H]([C@@H]1CO)N2Cc1cccnc1 95879291 ONMKJIZGZXTVLX-IQFVJIFQSA-N 444.535 2.210 0 1 IEAF CCNC(=O)[C@H]1[C@H](CO)[C@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]2N1C(=O)CC1CC1 95880102 GVSQCPITEFAUEO-PJIZGREPSA-N 439.556 2.232 0 1 IEAF COC(=O)[C@H]1[C@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@@H]([C@@H]1CO)N2C(=O)NC(C)C 95881107 DFSXISJGLIXFTH-IJXRJRJASA-N 429.517 2.060 0 1 IEAF COC(=O)c1cnc(N2CCN(c3nnc(Cc4ccncc4)c(C)c3C)C[C@H]2C)cn1 139809613 ZPTZVVANNRCNBO-OAHLLOKOSA-N 433.516 2.371 0 1 IEAF Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CC[C@H](Oc4ccccc4)C3)n2)cn1 653681028 GLGYOBAGODVMMF-WDSOQIARSA-N 431.500 2.151 0 1 IEAF CCCc1noc(C2=C(C)CS[C@@H]3[C@H](NC(=O)Cc4ccc(OC)cc4)C(=O)N23)n1 1857586327 DEQWEPGGMNRPQN-DYESRHJHSA-N 428.514 2.404 0 1 IEAF CCOC(=O)N1CCC(NC(=O)[C@@H]2CCCN(C(=O)N3CCOc4ccccc43)C2)CC1 4143604 LDIDDQKKVZIGAP-QGZVFWFLSA-N 444.532 2.455 0 3 IEAF COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H](N(C)C(=O)CO)CC2 1576493 IMFKEFSPNMKGLP-INIZCTEOSA-N 429.469 2.186 0 1 IEAF COc1cccc(N2C(=O)Nc3ccccc3[C@]2(O)C(=O)N2CCC3(CC2)OCCO3)c1 9546130 CMIVNHZGWYDJMO-QHCPKHFHSA-N 439.468 2.258 0 1 IEAF CCOCCCNS(=O)(=O)c1ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c1 13808779 IAMXTOFVAQFWAG-CQSZACIVSA-N 432.848 2.297 0 1 IEAF CC(C)C[C@H](NC(=O)COc1ccccc1C1CCCC1)C(=O)N[C@H]1CC(=O)O[C@@H]1O 13819251 ZUMYWWOOYMHLPE-BSRJHKFKSA-N 432.517 2.004 0 1 IEAF CC(C)C[C@H](N)C(=O)N1CCC(C(=O)N[C@@H](C(=O)NCc2ccc(F)cc2)C(C)C)CC1 15958297 FEFXTOZCHYSOSN-LEWJYISDSA-N 448.583 2.195 0 1 IEAF biogenic Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCN3CCS(=O)(=O)CC3)ccc1C2=O 49088398 BJKOHLYVJHWNOD-UHFFFAOYSA-N 449.536 2.080 0 1 IEAF Nn1c(SCCCCSc2nnc(-c3cccnc3)n2N)nnc1-c1cccnc1 66259011 RUHHJIKSMYHKTM-UHFFFAOYSA-N 440.562 2.086 0 1 IEAF CC(=O)N1[C@@H]2c3ccc(C4=CCCCC4)c(=O)n3C[C@H]1[C@H](CO)[C@H]2C(=O)NC1CCCC1 95879116 YDRSRMFTEKMREP-KZKAQZJJSA-N 439.556 2.375 0 1 IEAF CCCN1[C@@H]2Cn3c(ccc(C4=CCCCC4)c3=O)[C@H]1[C@@H](C(=O)N1CCOCC1)[C@@H]2CO 95879770 CSAAIGOVXABZPA-LGKPFJOYSA-N 441.572 2.038 0 1 IEAF O=C(C[C@@H]1C[C@@H]2c3cc(NC(=O)c4cccnc4)ccc3O[C@@H]2[C@@H](CO)O1)NCC1CC1 95900922 LGHYMYOTKHNHQJ-GBPFJNKXSA-N 437.496 2.245 0 1 IEAF CC(C)Nc1nc(-c2ccc(NC[C@@H](C)O)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12 115622540 QKKCQHQGXJQSPX-CYBMUJFWSA-N 445.545 2.012 0 1 IEAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)cc(NC(=O)c4cccc(F)c4F)nc23)N1 205052388 SIICOVWBHDKURQ-MLPAPPSSSA-N 439.382 2.014 0 1 IEAF N[C@H](CC(=O)O)C(=O)N[C@H](CCC(=O)O)c1nc2cc(C(F)(F)F)c(Cl)cc2[nH]1 587221133 VFRVDYGTYOKNAS-RKDXNWHRSA-N 436.774 2.059 0 1 IEAF COC(=O)[C@H]1CC(=O)[C@H](C(=O)OC)C[C@]12N[C@H](C)Cc1ccc(F)c(Br)c12 587807018 KPWGDSWOMLRYHM-LKGJWGLMSA-N 442.281 2.259 0 1 IEAF CCOc1cc([C@@H]2c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)ccc1OC(F)F 963207666 RSMPEDJBDCPEDR-SUNYJGFJSA-N 432.427 2.257 0 1 IEAF COc1cc(NC(=S)NCCCn2cncc2C)ccc1OCCN1CCOCC1 1772580364 BOEFHAHUANBRFT-UHFFFAOYSA-N 433.578 2.288 0 1 IEAF COc1ccc(-c2ccnc(N[C@@H]3CO[C@@H]4[C@H](NC(=S)NCC(C)C)CO[C@H]34)n2)cc1 2356728033 XETDTOLQFSGAMZ-UAFMIMERSA-N 443.573 2.219 0 1 IEAF COc1ccccc1N1CCN(C[C@@H]2CN3CC[C@H]2C[C@H]3CNC(=O)NC(C)C)CC1 2356853708 RIRIZOIUVIFXDY-HBMCJLEFSA-N 429.609 2.235 0 1 IEAF CCCS(=O)(=O)N1CCN(C2(CNC(=O)c3c(N)cccc3Cl)CCCC2)CC1 95581807 BEVJTLQAMFKBMN-UHFFFAOYSA-N 443.013 2.322 0 1 IEAF C/C=C/c1cnc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)Cc1cncnc1)O2 95729356 CJRCUHMGBGRKJG-UENYPMNWSA-N 425.533 2.257 0 1 IEAF C[C@H]1CN([C@H](C)CO)C(=O)CCCn2nncc2CO[C@H]1CN(C)CC1CCCCC1 95810378 OPQMCYKWZYLZJV-JQVVWYNYSA-N 435.613 2.315 0 1 IEAF CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC[C@@H]4CCOC4)n3)cc2)CC1 115625236 OQOFYJNBWUPARM-KRWDZBQOSA-N 434.544 2.196 0 1 IEAF COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCN(C(=O)CO)CC2)c(=O)n4C)cc1 118541973 AVPPVPMWQXGOOV-UHFFFAOYSA-N 447.495 2.115 0 1 IEAF CO[C@H]1COC(=O)[C@@H](C)COC(=O)C/C=C/[C@H](C)[C@@H](OC)COC(=O)C/C=C\[C@@H]1C 137285746 KBHPPKYRDDJVFM-NBAHNVRUSA-N 426.506 2.461 0 1 IEAF O=C(Nc1ccc(C(=O)N2CCN(c3cnccn3)CC2)cc1)N1Cc2cccnc2C1 166067470 HKIMTVFBYABLFA-UHFFFAOYSA-N 429.484 2.382 0 1 IEAF COC(=O)c1ccnc2[nH]c(-c3cc(S(=O)(=O)NC[C@H]4CCCO4)ccc3C)nc12 586944979 ACZSPXYWFIDJTE-CYBMUJFWSA-N 430.486 2.177 0 1 IEAF COc1ccc2c(c1OC)[C@@](C[C@@H](C)C(=O)O)(C(=O)O)N(C(=O)c1ccccc1N)CC2 963142982 QNGBJBWBNFHUOM-ZLOXQWCVSA-N 442.468 2.375 0 1 IEAF CO[C@@H](CN1CCC2(CC1)CC(=O)N(C1=CC(=O)OC1)C2)c1ccc2c(c1C)COC2=O 1772626255 RDHQTUXCMWJDAI-FQEVSTJZSA-N 440.496 2.108 0 1 IEAF COCCn1cc(N=c2[nH]c(=Nc3ccccc3P(C)(C)=O)c3cc[nH]c3[nH]2)cn1 1857585603 SEQFCXUKBAIBGK-UHFFFAOYSA-N 425.433 2.380 0 1 IEAF CC1=C[C@H](CNC(=O)COCC(=O)O)[C@@H](C(C)C)C[C@H]1CC(=O)NCc1cccnc1 2356300679 LNXQCVQCDKRBBC-XUVXKRRUSA-N 431.533 2.160 0 1 IEAF CN1C[C@@H](NCc2cnn(C)c2)CCC[C@H](C(=O)NCc2cc(F)cc(F)c2)CC1=O 2356540700 HGOKVEHXQISPML-PXNSSMCTSA-N 433.503 2.122 0 1 IEAF O=C(CCCNC(=O)Cn1cnc2sc3c(c2c1=O)CCCC3)NCc1ccco1 2493593 DMNCTDSVWKEFAX-UHFFFAOYSA-N 428.514 2.143 0 1 IEAF CN(C)C[C@@H](O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1 28711452 JQOOLVCGBWIAAM-OXJNMPFZSA-N 426.452 2.100 0 1 IEAF COc1cccc(Nc2cc(N3CCC[C@H]3C(=O)NCCN3CCCCC3)nc(N)n2)c1 39267541 DKIGSYGXAFLZQM-IBGZPJMESA-N 439.564 2.382 0 1 IEAF CCCCNC(=O)[C@@H](CSCNC(C)=O)NC(=O)c1coc(-c2ccccc2C)n1 82071120 ATXOGBXREMMTCR-GOSISDBHSA-N 432.546 2.492 0 1 IEAF CCC(=O)N1CC2(C1)[C@@H](c1ccc(-c3cccc(C)c3)cc1)[C@H](CO)N2S(C)(=O)=O 95794087 FPWPEMULKRPRSL-UNMCSNQZSA-N 428.554 2.373 0 1 IEAF COCC(=O)N1CC2(CN(Cc3ccccc3)C2)c2c(n(C)c3cc(OC)ccc23)[C@H]1CO 95796812 DNCWFJGHBTUPKD-JOCHJYFZSA-N 449.551 2.463 0 1 IEAF O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2cccnc2n1OCc1ccccc1 101033592 MWWHLTGXZQYUHJ-UHFFFAOYSA-N 448.460 2.292 0 1 IEAF O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 169313752 SYAJQMSNCWYZCA-GWUZYQLFSA-N 445.523 2.276 0 1 IEAF CCOC(=O)[C@@H]1CS(=O)(=O)CC[C@]12N[C@@H](C)Cc1ccc(F)c(Br)c12 587842149 DEHUNFIOUJGMHT-ZMNCSTGQSA-N 434.327 2.316 0 1 IEAF C[C@H](O)CN1CCN(C(=O)C[S@](=O)C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 1772588487 XFZKBBHTWUSNLK-DFYVNMARSA-N 436.524 2.328 0 1 IEAF CC(C)(C)c1cc(C[C@@H]2CNCC[C@H]2CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)no1 2356773178 SKWCWDIHTOOMID-RBUKOAKNSA-N 426.585 2.437 0 1 IEAF O=C(Nc1ccn([C@H]2C[C@@H](OC(=O)c3ccccc3)[C@H](CO)O2)c(=O)n1)c1ccccc1 3958820 FRCSORXRCWKCJL-WSTZPKSXSA-N 435.436 2.001 0 1 IEAF COc1cc([C@@H]2c3c(cc(OC)c(O)c3OC)C=C(C(=O)O)[C@H]2C(=O)O)cc(OC)c1O 14766507 MQRBOKLXGOXXGG-NVXWUHKLSA-N 446.408 2.447 0 1 IEAF biogenic COc1ccc([C@@H](CC(=O)O)NC(=O)CCC(=O)Nc2ccc3c(c2)CNC3)cc1OC 62224204 VJJIIVKKJPANJF-GOSISDBHSA-N 441.484 2.358 0 1 IEAF COc1ccc2c3c(n(C)c2c1)[C@@H](CO)N(C)CC31CN(C(=O)c2ccc3c(c2)OCO3)C1 95868706 TVBRNEYBQAHXEL-LJQANCHMSA-N 449.507 2.288 0 1 IEAF CN1[C@H](C(=O)NCc2ccccc2F)[C@@H](CO)[C@@H]2Cn3c(ccc(C4=CCCC4)c3=O)[C@@H]21 95881171 RWGJCZCROVCGRA-LBVMUVSTSA-N 437.515 2.465 0 1 IEAF COC(=O)C[C@@H]1C[C@@H]2c3cc(NC(=O)c4ccc5c(c4)OCO5)ccc3O[C@@H]2[C@@H](CO)O1 95903179 HFIMGBHSBJMCIP-VGOBXOCWSA-N 441.436 2.225 0 1 IEAF CS(=O)(=O)Cc1nc([C@H]2CCCO2)c(C(=O)NC2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)s1 103245505 PIFAEBMMXJCYHZ-VOTOBMJFSA-N 440.587 2.209 0 1 IEAF O=C1OCc2cc(CCC3[C@@H]4CN(C(=O)Cc5ccc(-n6cnnn6)cc5)C[C@@H]34)ccc21 206964053 YJUTZQFCPHUDLY-VXKWHMMOSA-N 429.480 2.212 0 1 IEAF COc1ccc(OC)c(C(=O)N2C[C@H](OCc3ccccc3)C[C@@H]2C(=O)NC[C@H](C)O)c1 299883187 QXRXMVDUCZEQRF-LDQXTDLNSA-N 442.512 2.001 0 1 IEAF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc(Br)c(F)c(F)c3[nH]2)c1 586935931 KUSVBPMLOCCFSU-UHFFFAOYSA-N 445.245 2.034 0 1 IEAF CCOC(=O)[C@@]1([C@@H]2CN(Cc3ccccc3)CCC2=O)NCCc2c(C(=O)O)cccc21 963120372 GYTAOBJMTUUDKQ-PXDATVDWSA-N 436.508 2.380 0 1 IEAF NC(=O)N1CCCc2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)cnc21 1772585128 ZXNWGIBYLFOYMB-UHFFFAOYSA-N 433.516 2.171 0 1 IEAF Oc1nc(N2CCOCC2)nc(N[C@@H]2CCCNC2)c1-c1nc(-c2ccccn2)cs1 1772601433 UFAAVBVPMRUBOH-CQSZACIVSA-N 439.545 2.368 0 1 IEAF CC(=O)O[C@@H]1CCC(C)(C)[C@]2(O)[C@H](OC(C)=O)[C@H](O)[C@@H]3C(=O)c4ccoc4C[C@@H]3[C@]12C 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O=C(N[C@H]1CC[C@@H](CCn2cc(-c3cccnc3)nn2)O[C@@H]1CO)c1ccccc1F 95570980 USSZBVMKFITLQI-NBHGPNQESA-N 425.464 2.208 0 1 IEAF C/C=C/c1ccc2c(c1)O[C@@H](CN(C)C(=O)C1CC1)[C@H](C)CN([C@@H](C)CO)S2(=O)=O 95702142 HGRXOVGPYAFSIY-UDBAPERZSA-N 436.574 2.357 0 1 IEAF CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H]2C(=O)c3ccoc3C[C@H]2[C@@]2(C)C(=O)CCC(C)(C)[C@]12O 95913920 ILAYPXILRXPIAE-SJRZPMBASA-N 432.469 2.254 0 1 IEAF biogenic,in-vitro O=C(CN1C(=O)[C@@H]2C[C@@H](O)CN2C(=O)c2ccccc21)c1ccc(Br)cc1 96917690 YNZLPXGFBGQUKQ-PBHICJAKSA-N 429.270 2.254 0 1 IEAF O=C1CC[C@H](C(=O)N2CCC(Oc3ccc(NC(=O)N4Cc5ccncc5C4)cc3)CC2)N1 166035786 VWCQKHBWLYFTHS-OAQYLSRUSA-N 449.511 2.278 0 1 IEAF COC(=O)N1c2c(OC)cccc2[C@]23[C@@H]4CN5CCC[C@@](CC[C@@]12C(=O)OC)(CC4=O)[C@@H]53 238775950 MSSNAZSJDGAHLN-AHJYRWHYSA-N 440.496 2.278 0 1 IEAF CCn1c(C(=O)N(C2CC2)C2CC2)cc2c3c(ncn3C)c(NC(=O)NCCOC)nc21 473134431 CFNPJFCYTRTKMW-UHFFFAOYSA-N 439.520 2.478 0 1 IEAF Nc1nc(-c2nn(Cc3ccccc3F)c3ncccc23)[nH]c2nc(CC3OCCO3)nc1-2 586908813 RPTJMELNJVSJHU-UHFFFAOYSA-N 446.446 2.401 0 1 IEAF C[C@]1([C@H]2CC[C@@H](N)C2)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963666341 KPKCSXQLUANTGG-YHPRZLSOSA-N 437.540 2.143 0 1 IEAF Cc1nnc(N2C[C@@H]3CC[C@H](C2)[C@H]3N=c2nc3c(O[C@@H](C)C(F)(F)F)cccn3[nH]2)o1 1911583977 PYPNIGUSVUTKEM-DNVSUFBTSA-N 437.426 2.499 0 1 IEAF CCCCCOC(=O)[C@@H](N[P@]1(=O)CO[C@@H](COc2ncc(F)c(=N)[nH]2)CO1)C(C)C 1911586865 VYGWOVAYVUFJLS-IYHDKUBDSA-N 448.432 2.321 0 1 IEAF O=C(C1CCC1)N1CCc2cc(S(=O)(=O)NC[C@H]3COc4ccccc4O3)ccc21 4111231 FJSVDADZBYJQLJ-KRWDZBQOSA-N 428.510 2.494 0 3 IEAF