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C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C\CO)[C@@H]12 238746569 ROLUXMBDEQQZQJ-SMFFZIFYSA-N 454.903 1.432 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=NNC(N)=O)[C@H](O)CN3C)N1 587762832 UUWCKJRNLQGGIE-JCICBKHFSA-N 450.312 1.472 50 1 JDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2Cl)c1CN1CCOCC1 33296018 VOJIRSXTDBJIRS-WNFQYIGGSA-N 466.289 1.135 50 1 JDGF C=C(C=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@H]2C(=C)C(=O)O[C@@H]([C@@H]2OC(=O)C(C)=CC)[C@]1(C)[C@H]1CO1 2356656785 YZLKUFINTXKIJN-PFJYLMRJSA-N 462.495 1.435 50 1 JDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl 618007671 DWXLKTRSIVEVON-LBPRGKRZSA-N 474.001 1.341 50 1 JDGF CCN1C(N2CCN(C(=O)N/N=C/c3ccc([N+](=O)[O-])s3)CC2)=NS(=O)(=O)c2ccccc21 64491806 KIDJLPJPTFGDGX-DEDYPNTBSA-N 491.555 1.902 50 1 JDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]3CC[C@@H]12 137285928 LFCILNBOBBSWDY-XVECGCLLSA-N 451.426 1.324 50 1 JDGF CCCCCC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@H](O)[C@@H]2O)C1 253664504 JYHSBKCAQBHBAP-XXMIYDFESA-N 481.099 1.950 50 1 JDGF N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1N1C(=O)CS[C@@H]1c1ccc([N+](=O)[O-])cc1 103219872 KZSJLQQPPANZFQ-PWRODBHTSA-N 457.512 1.403 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](c2c(N)n(C)c(=O)n(C)c2=O)([C@@H](C)Cl)N1 587689428 SJGZOBXNVLQZQC-OOSSNNJISA-N 459.747 1.973 50 1 JDGF CC(C)C1=C2[C@@H]3C[C@H](O)C(C=O)=C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@]3(C)CC[C@]2(C)CC1 2356328227 QLXVRMHCIDQLSG-QSKMYTTDSA-N 450.572 1.870 50 1 JDGF CSCC[C@H](N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)=O 103303562 SJSSESDSRVSLKZ-FHWLQOOXSA-N 451.589 1.415 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 64447603 ABCVSWBURFMCEG-RBUQIHAASA-N 451.391 1.594 50 1 JDGF COc1ccc(COC(=O)N/N=C2/C[C@@H](O)[C@@H](O)[C@H]3[C@@H]2CC[C@@H]2C(=O)N(C(C)(C)C)C(=O)[C@H]23)cc1 102491949 PYRCTNWJIKHYHI-WXCRTGNFSA-N 487.553 1.829 50 1 JDGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/NC(=O)C[N+](C)(C)C 5822472 SVYPWFUWTZSGBG-SANMLTNESA-O 490.540 1.236 50 1 JDGF O=C(N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12)OCc1ccccc1 195348538 YAMYYSZOEWNGPN-BXSMEVBOSA-N 485.537 1.201 50 1 JDGF CC(=O)OC[C@H]1O[C@@H](n2ccc(NP(=O)([N@]3CC3(C)C)[N@]3CC3(C)C)nc2=O)C[C@@H]1OC(C)=O 1857742761 OFGQTPFBAPSFDN-SWQYUQKUSA-N 497.489 1.734 50 1 JDGF CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@@H]3C=C(C)CC[C@]3(/C=N\NC(N)=O)[C@]1(C)[C@]21CO1 101495575 FPRAVBDQBYXHRB-MBUFDSCISA-N 463.531 1.767 50 1 JDGF COC1=CC([C@@H]2c3cc4c(cc3[C@H](NC(=O)N(C)N=O)[C@H]3COC(=O)[C@@H]32)OCO4)=CC(=O)C1=O 26386605 DMSCUECWEZKYRP-BTINSWFASA-N 469.406 1.274 50 1 JDGF Cc1cc(N2C[C@H](C(=O)NNC(=S)Nc3ccccc3)CC2=O)c(Cl)c(C)c1S(N)(=O)=O 1857564077 AXMIQJUZUXLXAR-CYBMUJFWSA-N 496.014 1.975 50 1 JDGF C=C1[C@H](O)C=C[C@]2(C)C=CC(=O)[C@](C)(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@H](C)C(=O)O[C@@H]2[C@@H]1Cl 2356503599 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C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=NNC(N)=O)[C@@H](O)CN3C)N1 587760549 LDNDXEDCRWQCEO-ZEBPJJPWSA-N 450.312 1.472 50 1 JDGF C=C1[C@@H](O)/C=C/[C@@]2(C)C=CC(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 139994407 NIDIDTZFSMDCLV-PHJCYIMSSA-N 496.940 1.388 50 1 JDGF O=C(NNC(=O)N1CCOCC1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 745995803 BZYZQKQTRVLPIO-UHFFFAOYSA-N 470.910 1.644 50 1 JDGF CC(C)C[C@H](NC(=O)N[C@@H](CC(C)C)B(O)O)C(=O)N[C@@H](CC(C)C)C(=O)Nc1cnccn1 1772653270 DBSBHYFJIPFICG-BZSNNMDCSA-N 478.403 1.087 50 1 JDGF COc1c(N2CCN(C/C(C)=N/NC(N)=O)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 72113536 PTLHZEZSIBKATO-SUZBBLJPSA-N 488.520 1.737 50 1 JDGF O=c1ccn([C@H]2C[C@H](F)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069452 JULDOLSZHQQOMG-BFLUCZKCSA-N 488.591 1.846 50 1 JDGF CN(C)Cc1c(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 33368924 RVWBTXUEYTVJEH-GATIEOLUSA-N 479.476 1.776 50 1 JDGF 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C=C1/C=C\[C@@H](OC(C)=O)[C@@]2(C)C=CC(=O)[C@@](C)(O)[C@@H]2[C@@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 140401237 STNIKXNUVOXCEH-BGXMAJEZSA-N 496.940 1.388 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=NNC(N)=O)[C@@H](O)CN3C)N1 587762833 UUWCKJRNLQGGIE-MZGKXCMESA-N 450.312 1.472 50 1 JDGF COc1cccc([C@H](CC(=O)N[C@@H](Cc2ccccc2F)B(O)O)NC(=O)c2cccnc2)c1 195462373 VKMAMKXHSZMYLR-VXKWHMMOSA-N 465.290 1.830 50 1 JDGF NNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)cc2)C1 587654114 IBINXQUKXUYVIH-CQSZACIVSA-N 461.931 1.430 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@]21O 2356550543 WVTMFOWXYVFVDE-FFXVNVKOSA-N 454.903 1.575 50 1 JDGF COc1cc([C@H]2NC(=S)NC(C)=C2C(=O)NNC(=O)c2ccccc2O)cc(OC)c1OC 103293778 PJJKDKWJBMWOCC-GOSISDBHSA-N 472.523 1.672 50 1 JDGF NNC(=O)[C@@H](CC(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCOCC1 587656762 NFQWDPCESAQRFC-GOSISDBHSA-N 457.437 1.063 50 1 JDGF O=C(Nc1ccc(F)cc1)c1cnc(N(Cc2ccccn2)Cc2ccc(B(O)O)cn2)nc1 472892171 XEKBEFBMEYCRJC-UHFFFAOYSA-N 458.262 1.545 50 1 JDGF CN(C)c1cccc2c(S(=O)(=O)N[C@@H](CC(N)=O)c3nc4ccc(C(=O)NN)cc4[nH]3)cccc12 586936690 QNTAIKVLSJDDPS-SFHVURJKSA-N 495.565 1.281 50 1 JDGF N=C(N)NS(=O)(=O)c1ccc(Nc2c3ccccc3nc3c(C(=O)NNCCO)cccc23)cc1 5742208 IXIOOYYWQYTRQN-UHFFFAOYSA-N 493.549 1.530 50 1 JDGF O=C(NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12)OCc1ccccc1 253652310 YAMYYSZOEWNGPN-GLJCKQMBSA-N 485.537 1.201 50 1 JDGF CC(=O)OCC1=C2/C(=C/[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)[C@@](C)(O)CCl)OC1=O 238768638 KBNAVWJVMFKJOU-NVPLDRSASA-N 458.891 1.486 50 1 JDGF C=C1C[C@@H](O)[C@@H]2O[C@]3([C@@H](OC(C)=O)[C@H]4[C@](C)(OC(C)=O)C(=O)C=C[C@@]42C)[C@@H](C)C(=O)O[C@H]3[C@H]1Cl 238774385 YDMCLOFPGGUTNM-HJTOJZEXSA-N 496.940 1.629 50 1 JDGF O=C(N/N=N/c1nc(NC2CCCC2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1)Nc1ccccc1 13517448 RZJAODYQRFMAKN-WVSUBDOOSA-N 497.516 1.613 50 1 JDGF in-vitro CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2-c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586933319 LKPYMMWUOSDMNS-UHFFFAOYSA-N 492.517 1.911 50 1 JDGF C[C@H](C[Si](O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 170055469 BAUPNCSSOJSBCN-QMMLZNLJSA-N 470.598 1.705 50 1 JDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 13386546 WVTMFOWXYVFVDE-DPEZMKFDSA-N 454.903 1.575 50 1 JDGF O=C(CS(=O)(=O)c1ccc(C(F)(F)F)cn1)NNS(=O)(=O)c1ccc(Cl)cc1 6058930 MVBHQUMAEVTCMG-UHFFFAOYSA-N 457.839 1.537 50 1 JDGF C=CCc1cc(C)cc(/C=N/NC(=O)Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1O 1857654768 ILKUDJLCTCXJOF-BUVRLJJBSA-N 482.545 1.443 50 1 JDGF O=C(O)C(=O)NCCSSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO 2356407987 RANXASMHOHQHDA-UHFFFAOYSA-N 480.362 1.226 50 1 JDGF CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 72140899 LFCILNBOBBSWDY-UXMXEDHZSA-N 451.426 1.324 50 1 JDGF O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2cnnn2)c1 43207367 OGRMAGULSQOTTD-IJXRJRJASA-N 472.933 1.127 50 1 JDGF C[C@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 170055466 BAUPNCSSOJSBCN-JRGCBEDISA-N 470.598 1.705 50 1 JDGF COc1cccc([C@@H](CC(=O)N[C@@H](Cc2ccc(C)cc2)B(O)O)NC(=O)c2cccnc2)c1 195464365 OCBMXMLIXVCXKB-PKTZIBPZSA-N 461.327 1.999 50 1 JDGF CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]3(C)O[C@]12[C@H](O)[C@@H]3O 254077178 MFQXTVUTECDXKP-VHDPHVHJSA-N 484.643 1.655 50 1 JDGF CCCC(=O)N/N=C(\C)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O 169320615 LWLRITSPAGXNST-JKIAOWAESA-N 495.532 1.968 50 1 JDGF C[N+](C)(C)CC(=O)N/N=C(\C(=O)Nc1ccc(Cl)cc1)[C@H]1C(=O)N(c2ccccc2)N=C1N 18180367 WBUXOQXZNWQODY-GOSISDBHSA-O 470.941 1.392 50 1 JDGF O=C(OCc1ccccc1)[P@@](=O)(O)OC[C@H]1O[C@@H](n2cc(CCCl)c(=O)[nH]c2=O)C[C@@H]1O 29484756 QFBVZOHVLJFYMK-ARFHVFGLSA-N 488.817 1.505 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=CC2=NNC(N)=O)[C@@H](O)CN3C)N1 587760545 LDNDXEDCRWQCEO-MZHDDHPNSA-N 450.312 1.472 50 1 JDGF N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@@]12c1ccccc1-c1nc3ccc([N+](=O)[O-])cc3nc12 1772579148 BQVIUUDOHMPIGH-QFIPXVFZSA-N 454.406 1.863 50 1 JDGF CC=C(C=O)[C@H](CC(=O)OCC)C[C@@H]1OC[C@@H]2O[C@H](OCCc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O1 2356688467 AYZCBQNBHQBRIG-LICJIHHUSA-N 494.537 1.244 50 1 JDGF C=C1[C@H](Cl)[C@@H]2OC(=O)[C@@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@@](C)(C=CC(=O)[C@]2(C)OC(C)=O)C=C[C@H]1O 2356503597 NIDIDTZFSMDCLV-BZLTXWDVSA-N 496.940 1.388 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@@]21O 14924464 WVTMFOWXYVFVDE-ATEDDERRSA-N 454.903 1.575 50 1 JDGF Cc1onc([C@@H]2CNC[C@@H](Cl)C2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 169685471 SSWMKRVJWBQMQY-HOTGVXAUSA-N 468.963 1.512 50 1 JDGF C/C=C(/C=O)[C@@H](CC(=O)OCC)C[C@@H]1OC[C@H]2O[C@@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O1 238746128 AYZCBQNBHQBRIG-QKTSWWOXSA-N 494.537 1.244 50 1 JDGF C=C1[C@H](Cl)[C@H]2OC(=O)[C@@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@@H]2[C@@](C)(C=CC(=O)[C@]2(C)OC(C)=O)C=C[C@H]1O 2356503598 NIDIDTZFSMDCLV-GBIVNWHTSA-N 496.940 1.388 50 1 JDGF CC(=O)OC[C@H]1O[C@@H](n2cc(-c3cc(CBr)on3)c(O)nc2=O)C[C@@H]1OC(C)=O 473090245 NKLNRBINGBKBDO-RRFJBIMHSA-N 472.248 1.281 50 1 JDGF C=C(C=O)[C@H]1Cc2oc(cc2C(=O)OC)[C@H]2O[C@]2(C)C[C@@H]2OC(=O)[C@]3(O[C@@H]23)[C@H](OC(C)=O)C1 29042236 AMXQRHQMVKOSQE-XFWUOHGQSA-N 460.435 1.599 50 1 JDGF CC(C)(C)[Si](OCC[C@@H](Cn1ccc(=O)[nH]c1=O)C(N)=O)(c1ccccc1)c1ccccc1 170141188 RZIYHRPKAXHORY-IBGZPJMESA-N 465.626 1.605 50 1 JDGF CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1CCOC1 14944477 IDJAUZIPAOSSES-WPVAHCMFSA-N 496.004 1.597 50 1 JDGF CCCCCC[C@@H]1CCN(C)[C@H](C(=O)N[C@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 26285643 JYHSBKCAQBHBAP-UWTBHMIISA-N 481.099 1.950 50 1 JDGF C=C1[C@@H](O)/C=C\[C@@]2(C)C=CC(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 238763582 NIDIDTZFSMDCLV-SIDLEYGPSA-N 496.940 1.388 50 1 JDGF O=c1ccn([C@@H]2C[C@H](F)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069450 JULDOLSZHQQOMG-GSLIJJQTSA-N 488.591 1.846 50 1 JDGF CC(=O)O[C@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)[C@@H]3O[C@H]3[C@@]2(C)[C@@H](O)C=CC(CCl)=C[C@@H]2OC(=O)[C@H](C)[C@@]21O 2356521149 LOUKFFGGKRJYCC-CDCNAAQKSA-N 498.956 1.278 50 1 JDGF Cc1nc(C(=O)NNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)cc2c1[nH]c1ccccc12 73156576 XXVJHSBPEYSFAP-INIZCTEOSA-N 454.487 1.554 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=CC2=NNC(N)=O)[C@H](O)CN3C)N1 587760547 LDNDXEDCRWQCEO-XOGXVMKQSA-N 450.312 1.472 50 1 JDGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NNC(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C 13491224 PEGQWNGJSDVTNZ-SFTDATJTSA-N 453.543 1.405 50 1 JDGF CS(=O)(=O)O[C@@H]1[C@H](Cl)CCC[C@@H]1Cc1ccc(N2CC(=O)CS2(=O)=O)c(O)c1 169361928 YNGRFRCHJRRWBC-MRRJBJDNSA-N 451.950 1.406 50 1 JDGF CCOC(=O)C1=C(C=O)C(=CCN2C=CNC2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 2356853007 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ACZLURNJNGLBMO-NZUNQHKISA-N 461.356 1.876 50 1 JDGF C[C@@H](C(=O)N/N=C1\C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc21)c1ccc(F)cc1 72178984 RUIGXAUAMUEUOC-CQSZACIVSA-N 453.474 1.673 50 1 JDGF CCCc1cccc(/C=N/NC(=O)CN2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c1O 149793860 ICWVZCXWQAOHHM-MFKUBSTISA-N 473.599 1.260 50 1 JDGF CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@]3(C)O[C@]12[C@H](O)[C@@H]3O 254077177 MFQXTVUTECDXKP-NRQSBEMSSA-N 484.643 1.655 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@]2(C=C3C(=C/C2=N\NC(N)=O)[C@H](O)CN3C)N1 587760539 LDNDXEDCRWQCEO-AKUULQGRSA-N 450.312 1.472 50 1 JDGF CS(=O)(=O)c1cc([N+](=O)[O-])c(C(N)=O)cc1N(CCBr)CCBr 44031634 RNTHNRXKGFKMDB-UHFFFAOYSA-N 473.143 1.693 50 1 JDGF CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 195501234 LFCILNBOBBSWDY-KQSHWPPXSA-N 451.426 1.324 50 1 JDGF C=C1[C@@H](OO)C[C@H](OC(C)=O)[C@]2(C)[C@@H](OC(C)=O)CC/C(C)=C\[C@@H]3OC(=O)[C@]4(C)O[C@]34[C@@H](O)[C@@H]12 144691783 WXYAKYPYEBHLTO-PEDATANBSA-N 480.510 1.845 50 1 JDGF O=C(OC[C@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](Br)[C@H]1O)c1ccccc1 3108744 LMIWARFCLUPCMT-UHXUPSOCSA-N 490.104 1.178 50 1 JDGF COc1cccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2F)B(O)O)NC(=O)c2cccnc2)c1 195462369 VKMAMKXHSZMYLR-YADHBBJMSA-N 465.290 1.830 50 1 JDGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1C(=O)c1ccccc1 963442449 CULBLGHGMXHQGL-NCTRIBDUSA-N 488.924 1.043 50 1 JDGF O=C(NCCN1CCC2(CC1)C(=O)NCN2c1cccc(F)c1)c1ccc2c(c1)C(=O)OC2=O 72139815 NKUWWUJQMGSFGM-UHFFFAOYSA-N 466.469 1.295 50 1 JDGF O=C1[C@@H]2Cc3nc[nH]c3[C@](CBr)(C(=O)NCc3ccccc3)N2C(=O)[C@@H]2CCCN12 963219751 UHRRVXYOUFBYTN-CKJXQJPGSA-N 472.343 1.074 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](c2c(N)n(C)c(=O)n(C)c2=O)([C@@H](C)Cl)N1 587689426 SJGZOBXNVLQZQC-CXNNERTKSA-N 459.747 1.973 50 1 JDGF O=C(OC[C@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](Br)[C@@H]1O)c1ccccc1 13137029 LMIWARFCLUPCMT-CZXHOFHRSA-N 490.104 1.178 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](c2c(N)n(C)c(=O)n(C)c2=O)([C@@H](C)Cl)N1 587689617 UYZNOJKCVXVWKB-OOSSNNJISA-N 459.747 1.973 50 1 JDGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)nc1=O 963227980 HQASUTMTVZOMCR-AOMKIAJQSA-N 457.918 1.817 50 1 JDGF CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@@]3(C)O[C@]12[C@@H](O)[C@@H]3O 195515963 MFQXTVUTECDXKP-FFXVNVKOSA-N 484.643 1.655 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N[C@H](CC(=O)O)C(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504775838 QKRDRBZKADKVFA-RLRROZSWSA-N 499.513 1.562 50 1 JDGF biogenic COc1ccc(B(O)O)cc1[C@H]1c2cc(C(C)=O)ccc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 962618963 GILUAORZRRWZQC-PZJWPPBQSA-N 469.299 1.913 50 1 JDGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)nc1=O 963228003 HQASUTMTVZOMCR-ZHRRBRCNSA-N 457.918 1.817 50 1 JDGF CCOC(=O)C1=C(C=O)/C(=C\C[n+]2cc[nH]c2)c2c(cc3c(c2OC)C[C@@H](C(C)(C)O)O3)O1 103528754 OUQZSWTYFFQHKG-CXPVQLEGSA-O 455.487 1.877 50 1 JDGF biogenic,in-vitro O=C(N/N=C/c1cc(O)c(O)c(O)c1)c1ccc(C(=O)N/N=C/c2cc(O)c(O)c(O)c2)cc1 299825474 CWCLCCRCYLTNRL-WDBPGAOMSA-N 466.406 1.448 50 1 JDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 8606191 LFCILNBOBBSWDY-ARAMDPKTSA-N 451.426 1.324 50 1 JDGF C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@H](O)[C@@]13O[C@@](O)(C[C@H]2OC(C)=O)C(=C)[C@H](Cl)[C@@H]1OC(=O)[C@@H]3C 238786183 ZRAYKMVOPKZVJH-LHRPKBTFSA-N 498.956 1.770 50 1 JDGF CC1(C)O[C@@H]2O[C@H](C(=O)NN/C=C3\C=C(Br)C=CC3=O)[C@@H]3OC(C)(C)O[C@H]3[C@H]2O1 263592236 TZSOPPJJHZUEIC-CTWHZYTLSA-N 471.304 1.305 50 3 JDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@@H](CC(=O)O)c2ccc(Br)cc2)c1 13862930 MXVQXMBMRJIIHT-AWEZNQCLSA-N 463.292 1.914 50 1 JDGF N#CC1=C(S)N([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(c2ccccc2)=C[C@@H]1c1ccccc1 17259020 LVMVPMRIRRYZFF-JOBJCWAXSA-N 452.532 1.592 50 1 JDGF O=C(NC[C@H]1CN(c2cc(F)c(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl 44031865 MJMWKQIUYIRANK-JTQLQIEISA-N 470.281 1.916 50 1 JDGF CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@@H](CC1CCC1)B(O)O)C2(C)C)C(C)(C)C 169871425 IQPOVHJPEZFZSD-VPAKFMSCSA-N 492.470 1.669 50 1 JDGF O=C(CCCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 44018182 XHANEBRMODXIFB-UHFFFAOYSA-N 456.499 1.390 50 1 JDGF COc1c(Cl)cc2c(c1OC)N(C)[C@H]1N3C(=O)[C@@]4(C)SS[C@]3(C[C@@]21O)C(=O)N4C 105342478 HCAHETRFJITQNU-OKDNKWQNSA-N 457.961 1.833 50 1 JDGF C=C(C=O)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@H](OC(C)=O)C1 2356781155 AMXQRHQMVKOSQE-RQMVWPFUSA-N 460.435 1.599 50 1 JDGF Cc1cn([C@H]2C[C@]3(OS(=O)(=O)C=C3N)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195758722 CRPDUJBVAQMMLM-HBUWYVDXSA-N 459.597 1.053 50 1 JDGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H]([C@H](Cl)[C@@H](O)[C@H](O)[C@H](O)CO)N1C(=O)c1ccccc1 963442448 CULBLGHGMXHQGL-JPKYEYPISA-N 488.924 1.043 50 1 JDGF O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 15884973 FYSBUTRNGRSMLF-AXDNMFEOSA-N 486.444 1.198 50 3 JDGF COc1ccc2c(c1OC)[C@@H](c1ccc(F)cc1B(O)O)N(C(=O)c1ccccc1N)CC2 963159571 QBXFKEKAFLAMSC-JOCHJYFZSA-N 450.275 1.893 50 1 JDGF Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc(C(=O)NN)cc3[nH]2)cc1 586940137 KKXFBKUVUYALEG-SFHVURJKSA-N 456.528 1.117 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1F 64446748 FRKCRAGHGCVVQE-LASHMREHSA-N 469.381 1.544 50 1 JDGF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3=O)OC(=O)[C@H]3O[C@]321 95918818 RGJFBFNHUPSYSQ-KHCMGHCJSA-N 484.501 1.969 50 1 JDGF biogenic,in-vitro C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 254080628 WVTMFOWXYVFVDE-LWPLQINSSA-N 454.903 1.575 50 1 JDGF CCC(=O)NNC(=O)[C@H]1C[C@@]23C=C[C@]1(OC)[C@@H]1Oc4c(OC)ccc5c4[C@@]12CCN(C)[C@@H]3C5 28264193 ICRYWDSJLWEWCO-ZZNKZRKUSA-N 453.539 1.473 50 1 JDGF CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@H]3C=C(C)CC[C@]3(/C=N\NC(N)=O)[C@]1(C)[C@]21CO1 40818412 FPRAVBDQBYXHRB-MOWLBLKASA-N 463.531 1.767 50 1 JDGF CC(C)CN(NC(=O)c1cc(N2CCN(C)CC2)on1)c1nc(C#N)ncc1Br 58568641 MTRODVYKXBGWDX-UHFFFAOYSA-N 463.340 1.658 50 1 JDGF CC(=O)OCC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@H]21 2356545615 LTPNFJHTWMAVBD-QDLXVULKSA-N 468.886 1.511 50 1 JDGF C=C1[C@@H]2[C@H](O)[C@]3(O)[C@H](C=C(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OO)OC(=O)[C@@H]3C 2356800598 QDRUQUVVPDHPBN-KTCXHOBUSA-N 482.526 1.684 50 1 JDGF Cn1c(=O)c2c([nH]c(=NCc3ccccc3)n2CCCC(=O)N/N=C/c2ccccc2O)n(C)c1=O 1857639181 VLVVFYDVIZDRKD-JVWAILMASA-N 489.536 1.104 50 1 JDGF COc1cccc([C@@H](CC(=O)N[C@@H](Cc2cccc(C)c2)B(O)O)NC(=O)c2cccnc2)c1 195463731 GYCPRBMFXMPODV-PKTZIBPZSA-N 461.327 1.999 50 1 JDGF CCNC(=S)NNC(=O)CSc1nc2sc(C(=O)OCC)c(C)c2c(=O)n1CC 1772611272 MVAAVWCAGRQSNK-UHFFFAOYSA-N 457.603 1.570 50 1 JDGF C=C1[C@H](O)C=C[C@@H]2[C@@H]3C(=O)[C@](C)(OC(C)=O)[C@H]([C@H](OC(C)=O)[C@]4(O)[C@H](C)C(=O)O[C@@H]4[C@@H]1Cl)[C@]32C 2356674067 SVWXDQMPMMYOJL-GILCOQNKSA-N 496.940 1.078 50 1 JDGF CCCN(CCC)Cc1c(C(=O)NN/C=C2\C=Nc3ccccc32)nnn1-c1nonc1N 15937015 QXLFVFIOMYCMPD-WYMLVPIESA-N 450.507 1.846 50 3 JDGF CC(C)(CN(CC(=O)N[C@H](CCCNC(=N)N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 169998509 AHVRHIQTLPAZHX-JOCHJYFZSA-N 495.433 1.186 50 1 JDGF CN(C)c1ccc([C@@H]2SCC(=O)N2[C@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 103221236 NHWHJYZXMOHYMF-RJGXRXQPSA-N 455.584 1.561 50 1 JDGF CC(C)C1=C2[C@@H]3C[C@H](O)C(C=O)=C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@@]2(C)CC1 2356328228 QLXVRMHCIDQLSG-TZUAGWKSSA-N 450.572 1.870 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@]2(C=C3C(=CC2=NNC(N)=O)[C@H](O)CN3C)N1 587762827 UUWCKJRNLQGGIE-CFVCRPCTSA-N 450.312 1.472 50 1 JDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)CC1 618007925 NJGDFEYTPDPYEM-UHFFFAOYSA-N 487.713 1.930 50 1 JDGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@@H]1[C@](C)(COC(C)=O)[C@H](OC(C)=O)C[C@@H](O)[C@@]12C 2356765764 MTEJSIXALGJBGG-ZNTJPVDASA-N 450.528 1.606 50 1 JDGF N#C[C@@H](C(=N/NC(=O)C(=O)NN)/C(O)=N/c1nc([N+](=O)[O-])cs1)c1ccc(Cl)cc1 17195667 XDEORQNYMMPXRQ-YWYRWDHGSA-N 450.824 1.062 50 1 JDGF CC=C(COC(C)=O)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@H]21 2356287061 CBWDZKLRSZQKGM-YIRPVQGGSA-N 468.886 1.511 50 1 JDGF Nc1cc2c(c3ccc(S(=O)(=O)NCCO)cc13)[C@H](CCl)CN2C(=O)CCN1CCOCC1 1772617545 AUZOFHSZWMSOBR-OAHLLOKOSA-N 497.017 1.084 50 1 JDGF O=C(N/N=C/c1ccccc1)C(C(=O)N/N=C/c1ccccc1)N1C(=O)c2ccccc2S1(=O)=O 1857571174 MJTAIJKIQBWBCR-RYQLWAFASA-N 489.513 1.500 50 1 JDGF COCO[C@@H]1C(=O)OC[C@@]12[C@@]1(C(C)(C)C)C[C@H]3OC(=O)[C@@]4(C[C@@H](Cl)[C@H](OCOC)[C@]342)O1 103105054 SPBRNKRXCVKEGL-YEIVANNQSA-N 460.907 1.388 50 1 JDGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)[C@](C)(CO)C[C@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl 2356770978 MUKKFJAVBOTDNB-LFNOITGSSA-N 496.940 1.279 50 1 JDGF COC(=O)N/N=C/c1c(Cl)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2cc(Cl)c(Cl)cc12 38801630 MXTKNBDNTCUQMV-MFHRDMSVSA-N 452.678 1.903 50 1 JDGF CC(=O)Oc1ccccc1C(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1 27982004 FIXTUUILDHNCMI-MAUKXSAKSA-N 499.925 1.569 50 1 JDGF O=C(c1nn([C@@H]2CCN(CCCl)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 112942073 ONIZUNGHVJHSTA-OAHLLOKOSA-N 464.975 1.795 50 1 JDGF O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cnc(O)nc1O)c1cccc(Cl)c1 1857636302 OIIKBYDMWCZPLR-UHFFFAOYSA-N 463.859 1.417 50 1 JDGF COc1cc(/C=C(/NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NN)cc(OC)c1OC 4226085 UCGGGBMRQWWJRV-VGOFMYFVSA-N 461.471 1.499 50 1 JDGF C=C(C)[C@H]1C[C@H](OC(C)=O)[C@@]23O[C@@H]2[C@@H](C[C@](C)(O)C=C2C=C(C=O)[C@@](OCC)(C1)O2)OC3=O 253693201 JAYRBXGJZSQPST-KEDBWACVSA-N 462.495 1.881 50 1 JDGF COc1cccc([C@H](CC(=O)N[C@@H](Cc2ccc(C)cc2)B(O)O)NC(=O)c2cccnc2)c1 195464371 OCBMXMLIXVCXKB-GOTSBHOMSA-N 461.327 1.999 50 1 JDGF CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H]2OCC(=O)NNC(=O)C=Cc2ccccc2)O1 2356853607 RHUOIDQSBWTIEJ-DDVIMMDMSA-N 462.499 1.260 50 1 JDGF CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587337084 BBLVWOGNLGLRHQ-NSXLHWASSA-N 464.453 1.784 50 1 JDGF CC(=O)NN(CCCc1ccccc1)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N 26954697 GBQFTVLECCWXAC-BHDDXSALSA-N 486.617 1.043 50 1 JDGF CN(C)c1cccc2c(S(=O)(=O)NCCNC(=O)CI)cccc12 58633599 QDHGMMDEGVINBU-UHFFFAOYSA-N 461.325 1.735 50 1 JDGF in-vitro CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)nc1=O 963227999 HQASUTMTVZOMCR-OPAMFIHVSA-N 457.918 1.817 50 1 JDGF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118913808 GFJQQPYCTIQFPJ-WTJFSUJTSA-N 461.559 1.353 50 1 JDGF in-vitro O=C(NCCNCCO)c1ccccc1SSc1ccccc1C(=O)NCCNCCO 29475247 HOVVUGJDQVWCJV-UHFFFAOYSA-N 478.640 1.109 50 1 JDGF C=C1[C@H](O)C=C[C@]2(C)C=CC(=O)[C@](C)(OC(C)=O)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@H](C)C(=O)O[C@H]2[C@@H]1Cl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i](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1 170069414 ITTZDQXTFVFANF-FUDKSRODSA-N 466.610 1.762 50 1 JDGF N#CC1=C(S)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)C(c2ccccc2)=C[C@@H]1c1ccccc1 254133251 LVMVPMRIRRYZFF-KEHRUFFCSA-N 452.532 1.592 50 1 JDGF O=C(NNC(=O)c1cccc(Cl)c1)c1ccc(NS(=O)(=O)c2cnc(O)nc2O)cc1 1857748056 LVZIBCDTUHJIPQ-UHFFFAOYSA-N 463.859 1.417 50 1 JDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(NS(C)(=O)=O)cc2)C1 618009039 PTWIATDEQLTNBD-KRWDZBQOSA-N 488.701 1.970 50 1 JDGF C/C(NNC(=O)CCC(=O)O)=C1\C(=O)N=c2ccc(Br)cc2=C1c1ccccc1 15952894 PIMSJJKYOAPYOE-XDHOZWIPSA-N 456.296 1.568 50 3 JDGF O=C(NCc1ccc(OCc2ccc(B(O)O)cc2)cc1)[C@@H]1CCC(=O)N1Cc1ccccc1 1911582800 YVLZFMCOVOYTTQ-DEOSSOPVSA-N 458.323 1.753 50 1 JDGF O=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc4c(cc3c2CCl)OCCO4)[C@@]1(O)CCO 29478455 HOVUHWKJLVMZLY-QHCPKHFHSA-N 470.865 1.562 50 1 JDGF CN(NC(=O)CC(=O)NN(C)C(=S)c1ccc(C#N)cc1)C(=S)c1ccc(C#N)cc1 38218542 KOVSVXCHUVJVHR-UHFFFAOYSA-N 450.549 1.797 50 1 JDGF CC(=O)O[C@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)[C@H]3O[C@H]3[C@@]2(C)[C@@H](O)C=CC(CCl)=C[C@@H]2OC(=O)[C@H](C)[C@@]21O 2356521150 LOUKFFGGKRJYCC-CNLPIQNYSA-N 498.956 1.278 50 1 JDGF COc1cc2c3c(c1)O[C@]1(C(=O)[C@H](Br)C(=O)C(=O)[C@H]1Br)[C@@H](C2)C3=O 587419773 ZMDLCFOQPVDXNS-DQWDHDDASA-N 458.058 1.429 50 1 JDGF N=CNCCC[C@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O 169998551 IGRCAZNQYXPQOS-QFIPXVFZSA-N 452.364 1.164 50 1 JDGF CCn1cc(-c2csc(=N)[nH]2)c(=O)c2cc(F)c(N3CCN(C/C(C)=N/NC(N)=O)CC3)cc21 1857556486 CLGAGNOWQMZEHF-UVHMKAGCSA-N 486.577 1.863 50 1 JDGF Cc1ccc2c(c1)=NC(=O)C(=C1C[C@@H](C3=CC[C@H](Br)C=C3)N(C(=O)CCC(=O)O)N1)C=2 2356706999 DEZFDONGZPVXJY-UZLBHIALSA-N 484.350 1.810 50 1 JDGF [N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@@H](O)[C@H](CO)O2)c(=O)nc1O)C(Br)Br 254081830 ZDTHJCBYWMUMPA-VGRMVHKJSA-N 455.063 1.057 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@]2(C=C3C(=C/C2=N\NC(N)=O)[C@H](O)CN3C)N1 587760548 LDNDXEDCRWQCEO-YLNZOVNJSA-N 450.312 1.472 50 1 JDGF CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]3(C)O[C@]12[C@@H](O)[C@@H]3O 195515964 MFQXTVUTECDXKP-SFNUOOIRSA-N 484.643 1.655 50 1 JDGF CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]3CC[C@@H]12 18213185 LFCILNBOBBSWDY-PBLPOWFNSA-N 451.426 1.324 50 1 JDGF COc1ccc(OC)c(CNC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c1 1772648905 ZATLEUUTIFKGIZ-UNMCSNQZSA-N 471.363 1.657 50 1 JDGF O=c1ccn([C@H]2C=C[C@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069467 YYVXCMVFYOLKQG-QFQXNSOFSA-N 468.585 1.674 50 1 JDGF O=C(NO)[C@H]1Cc2nccnc2CN1S(=O)(=O)c1ccc(OCCCBr)cc1 13472425 JUAUPDLCQYALSF-MRXNPFEDSA-N 471.333 1.261 50 1 JDGF COc1ccc(OCc2cccc(/C=N/NC(=O)C(=O)NCCCN3CCOCC3)c2)cc1 1911586875 YNLRGRVEAXYZDC-YZSQISJMSA-N 454.527 1.563 50 1 JDGF CC(=O)OCC1=C2C(=C[C@@]3(C)CC[C@@](O)(O3)[C@H](C)C[C@@H]2OC(=O)[C@](C)(O)CCl)OC1=O 2356766101 KBNAVWJVMFKJOU-DJDMLMGHSA-N 458.891 1.486 50 1 JDGF COc1ccc([C@H]2Cc3cc(CCC[O+]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cc(OC)c3O2)cc1OC 84154140 FKQJHHPRYFYXPW-LOAAWLJNSA-N 493.529 1.220 50 1 JDGF biogenic,in-vitro CC(=CCO)CCC1=C(C=O)CC[C@@H]2[C@](C)(CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CCC[C@@]12C 2356584018 QNXCBHRXRAEATN-QDLRLTRZSA-N 482.614 1.624 50 1 JDGF CC1(C)O[C@@H]2O[C@H](C(=O)NN/C=C3\C=C(Br)C=CC3=O)[C@@H]3OC(C)(C)O[C@H]3[C@@H]2O1 263592237 TZSOPPJJHZUEIC-GXZSDHAVSA-N 471.304 1.305 50 3 JDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]12 254102245 LFCILNBOBBSWDY-MCJADDQMSA-N 451.426 1.324 50 1 JDGF Cc1cc(N2C[C@@H](C(=O)NNC(=S)Nc3ccccc3)CC2=O)cc(C)c1S(N)(=O)=O 1857613731 OWIMCWHOYBJYPJ-AWEZNQCLSA-N 461.569 1.322 50 1 JDGF CC=C(C=O)[C@H](CC(=O)OCC)C[C@@H]1OC[C@@H]2O[C@H](OCCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O1 2356688468 AYZCBQNBHQBRIG-RULPMWCASA-N 494.537 1.244 50 1 JDGF O=C1C([N+](=O)[O-])=CC([N+](=O)[O-])=C/C1=C\NNC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 13122401 WDGSQILUOCFVTC-WYPLEBNESA-N 481.446 1.928 50 3 JDGF Nc1ccn([C@@H]2O[C@H](COC(=O)CCCC[C@@H]3CCSS3)[C@@H](O)C2(F)F)c(=O)n1 299866779 WUSCPZHQKVJMER-YIKOMLBNSA-N 451.517 1.976 50 1 JDGF CC(=O)O[C@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)[C@@H]3O[C@H]3[C@@]2(C)[C@@H](O)C=CC(CCl)=C[C@@H]2OC(=O)[C@@H](C)[C@@]21O 2356521151 LOUKFFGGKRJYCC-JGCHVDQLSA-N 498.956 1.278 50 1 JDGF O=C(OC[C@H]1O[C@H](n2cc(Br)c(=O)[nH]c2=O)[C@H](Br)[C@H]1O)c1ccccc1 13137027 LMIWARFCLUPCMT-NMKXLXIOSA-N 490.104 1.178 50 1 JDGF CC(=O)C1=C(NNC(=O)c2ccccn2)[C@@]2(C)C(=CC1=O)Oc1c(C(C)=O)c(O)c(C)c(O)c12 43443106 BNHBAAWGODPKCE-DEOSSOPVSA-N 463.446 1.898 50 1 JDGF C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)CCC(=O)OCc2ccccc2)Cc2c1[nH]c1ccccc21 72106674 FYVQYEIZYSFDGE-ZRCAFCQKSA-N 463.538 1.742 50 1 JDGF COC1=CC([C@@H]2c3cc4c(cc3[C@@H](NC(=O)N(C)N=O)[C@H]3COC(=O)[C@@H]32)OCO4)=CC(=O)C1=O 13473828 DMSCUECWEZKYRP-JHQYFNNDSA-N 469.406 1.274 50 1 JDGF CO[C@H]1[C@H](O)[C@@H](CO)O[C@@H](N(CCCc2ccc(N(CCCl)CCCl)cc2)OC)[C@@H]1O 64448714 KTHRVGPBYNTHIQ-SSSFQFABSA-N 481.417 1.221 50 1 JDGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](c2c(N)n(C)c(=O)n(C)c2=O)([C@@H](C)Cl)N1 587689613 UYZNOJKCVXVWKB-CXNNERTKSA-N 459.747 1.973 50 1 JDGF CCn1ncc([C@]2(CCl)c3cc(O)ccc3C[C@@H](C(=O)O)N2C(=O)[C@@H](N)Cc2ccccc2)n1 963702721 KWRYFJYPQFQFNP-SKPFHBQLSA-N 483.956 1.894 50 1 JDGF COc1cccc([C@@H](CC(=O)N[C@@H](Cc2ccc(F)cc2)B(O)O)NC(=O)c2cccnc2)c1 195462687 CPAMGJSAJBFQNB-YADHBBJMSA-N 465.290 1.830 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=C/C2=N\NC(N)=O)[C@@H](O)CN3C)N1 587762829 UUWCKJRNLQGGIE-GHNCESQOSA-N 450.312 1.472 50 1 JDGF O=C(N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@H]3CC[C@@H]12)OCc1ccccc1 38149210 YAMYYSZOEWNGPN-NICLYWFBSA-N 485.537 1.201 50 1 JDGF Cc1onc([C@H]2CNC[C@H](Cl)C2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 169685474 SSWMKRVJWBQMQY-HZPDHXFCSA-N 468.963 1.512 50 1 JDGF N=CNCCC[C@@H](NC(=O)CN(CCc1ccccc1)C(=O)CCc1ccccc1)B(O)O 169998545 IGRCAZNQYXPQOS-JOCHJYFZSA-N 452.364 1.164 50 1 JDGF C[C@@H](OP(=O)(O)O)[C@H](NC(=O)/C=C/CCCCSSCCS(=O)(=O)O)C(=O)O 38321463 CVQZOMWKHKTFCZ-UIALCFJWSA-N 481.507 1.049 50 1 JDGF in-vitro CCOC1=C/C(=C\NNC(=O)CCCC(=O)NN/C=C2\C=CC(=O)C(OCC)=C2)C=CC1=O 103916949 DHJJCQPZXWMJLV-QUDUTFMFSA-N 456.499 1.285 50 3 JDGF O=C(NCCO)c1cc(N(CCBr)CCBr)c([N+](=O)[O-])cc1[N+](=O)[O-] 44031624 KWDWDDQGKFJIGK-UHFFFAOYSA-N 484.101 1.821 50 1 JDGF CC(C)(C)[Si](OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1 170069407 ITTZDQXTFVFANF-QNWVGRARSA-N 466.610 1.762 50 1 JDGF COC(=O)OC[C@@H]1O[C@H](N2C(=O)N=C(O)[C@H](Br)[C@@H]2N=[N+]=[N-])C[C@@H]1OC(=O)OC 17214586 BRMGQHZGXMOYNS-OAHBRNHXSA-N 466.201 1.828 50 1 JDGF Cc1nnc(Cn2cc(C(=O)NNC(=O)Nc3ccccc3)c(=O)c3cc(F)c(Cl)cc32)n1N 1911574366 RFKKJYZILBZBIV-UHFFFAOYSA-N 484.879 1.923 50 1 JDGF O=C1O[C@H](CI)C/C1=C1/O[C@@H]2CC(=O)N2[C@H]1C(=O)OCc1ccccc1 1772621427 ROBNSNBYRBBNOO-LQFIKJDTSA-N 469.231 1.692 50 1 JDGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@H](c2cc(Cl)cc(B(O)O)c2)N1 963688460 TYQCLGOBEFRFER-VABKMULXSA-N 494.740 1.141 50 1 JDGF O=C(NCc1ccc(S(=O)(=O)Nc2cccc(B(O)O)c2)s1)c1ccc(Cl)cc1 169879925 VZCYKNKTQUEGTL-UHFFFAOYSA-N 450.734 1.812 50 1 JDGF COc1cc(C)c(C(=O)O[C@@H]2C[C@]3(C)[C@H]4[C@@H](O)[C@@](C)(CO)C[C@@]4(O)C=C(C=O)[C@]23O)c(O)c1Cl 238758117 YJPNJBRVHINCIV-ZUEJOSNYSA-N 496.940 1.279 50 1 JDGF COc1cc(B(O)O)c([C@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc1OC 962929836 UVFHAPSXJRLAHG-REWPJTCUSA-N 465.267 1.570 50 1 JDGF COc1cccc([C@H](CC(=O)N[C@@H](Cc2ccccc2C)B(O)O)NC(=O)c2cccnc2)c1 195462358 GUQKWZQVXKPSMX-GOTSBHOMSA-N 461.327 1.999 50 1 JDGF CC(=CCO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@](C)(CO)CCC[C@@]12C 2356730801 IQHRODLFQNPIDT-GCMLBACHSA-N 468.587 1.234 50 1 JDGF Cc1ccccc1C(=O)NCC(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1 618008010 QBFRABSSGXFMJM-FQEVSTJZSA-N 489.667 1.864 50 1 JDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)c1cnccn1)B(O)O 653704646 YYSGKFYTJHUWRP-RDJZCZTQSA-N 452.242 1.379 50 1 JDGF CC(C)(C)N1C(=O)[C@H]2CC[C@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O 102484480 JHYARAKVASLQRG-YTQRKNTQSA-N 457.527 1.820 50 1 JDGF O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)N/N=C/c1ccncc1 1857647838 XCYNSQNKUVVTSJ-XODNFHPESA-N 492.511 1.841 50 1 JDGF CCOC(=O)C1=C(C=O)C(=CCN2C=CNC2)c2c(cc3c(c2OC)C[C@H](C(C)(C)O)O3)O1 2356853008 QVOQYBPWSPPNDN-LJQANCHMSA-N 456.495 1.895 50 1 JDGF CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@H]3[C@@H]2OCC(=O)NNC(=O)C=Cc2ccccc2)O1 2356853609 RHUOIDQSBWTIEJ-VHQPJYBDSA-N 462.499 1.260 50 1 JDGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C1 618007573 ANUUUFKVDUJREX-GOSISDBHSA-N 487.713 1.930 50 1 JDGF CC(C)C1=C2[C@@H]3C[C@H](O)C(C=O)=C[C@H](O[C@@H]4OC[C@H](O)[C@H](O)[C@@H]4O)[C@@]3(C)CC[C@]2(C)CC1 2356328225 QLXVRMHCIDQLSG-BRIOQEGUSA-N 450.572 1.870 50 1 JDGF N=CNCCC[C@@H](NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O 169998488 AQOWADPLFQHPQP-HSZRJFAPSA-N 478.402 1.653 50 1 JDGF CC1(C)OC(=O)C=C[C@@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@H]2CC[C@@]2(C)[C@H](C3=CC(=O)OC3=O)OC(=O)[C@H]3O[C@]321 238740470 RGJFBFNHUPSYSQ-WCXHNUIASA-N 484.501 1.969 50 1 JDGF CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@H]2[C@H](S(=O)(=O)c3ccccc3)[C@@]3(C)O[C@]12[C@@H](O)[C@@H]3O 195515965 MFQXTVUTECDXKP-QMPKQDNESA-N 484.643 1.655 50 1 JDGF O=C(Nc1ccc(F)cc1)c1ccc(N(Cc2ccc(B(O)O)cn2)CC2CCOCC2)nc1 472892170 UJBADNWBPBQEMO-UHFFFAOYSA-N 464.306 1.981 50 1 JDGF N[C@H](Cc1cn(Cc2cc(B(O)O)ccc2N(CCCl)CCCl)c2ccccc12)C(=O)O 1857603088 KYYVXEOZOGUWLV-LJQANCHMSA-N 478.185 1.608 50 1 JDGF COCCn1c(N)c([C@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(O)nc1=O 962578112 ZZZXVEOBYSHHHJ-GTJPDFRWSA-N 452.939 1.554 50 1 JDGF N#CC1=C(S)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1cccs1 254136565 SSZDHVOMNOQWBF-MMTVNYBFSA-N 458.561 1.653 50 1 JDGF C=C1/C=C\[C@@H](O)[C@]2(C)[C@H]([C@@H](C)[C@@H](OC(C)=O)[C@@H]3O[C@@H]32)[C@@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 140713935 SQFDHRRACIGPRZ-VCLMPJHDSA-N 498.956 1.276 50 1 JDGF COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1B(O)O)N(C(=O)c1ccccc1N)CC2 963139751 MMPKLNVVZUCAQX-QHCPKHFHSA-N 450.275 1.893 50 1 JDGF CC(=O)NCCSSCCNC(=O)[C@H]1CC[C@H](NC(=O)c2nccnc2C(=O)O)CC1 100032366 OMSKFAYIWROESZ-OKILXGFUSA-N 469.589 1.097 50 1 JDGF in-vivo CCn1cc(C(=O)N/N=C2\C(=O)N(CN3CCN(C)CC3)c3ccccc32)c(=O)c2ccc(C)nc21 64437225 QXIGYXNGJPZKSI-SLMZUGIISA-N 487.564 1.410 50 1 JDGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 618007886 MAJDPALCDXFTDV-MRXNPFEDSA-N 474.674 1.245 50 1 JDGF NNC(=O)c1ccc2nc(-c3cc(O)nc4ccc(S(=O)(=O)N5CCOCC5)cc34)[nH]c2c1 586961076 PCOHMASEHAUEFP-UHFFFAOYSA-N 468.495 1.108 50 1 JDGF N=c1[nH]c(C(=O)N/N=C/c2ccc(N3CCCCC3)cc2)nn1-c1ccc(S(N)(=O)=O)cc1 1857561177 WEUXRDYAXRZXBQ-ZVHZXABRSA-N 468.543 1.081 50 1 JDGF O=C(N/N=C/c1cc(O)c(O)c(O)c1)c1cccc(C(=O)N/N=C/c2cc(O)c(O)c(O)c2)c1 299829061 PIVFOZIHTMGYFP-WDBPGAOMSA-N 466.406 1.448 50 1 JDGF C=C(C=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H](O)[C@H]1[C@@]2(C)[C@@H](O)C[C@@H](OC(C)=O)[C@@]1(C)COC(C)=O 2356765763 MTEJSIXALGJBGG-VDJCVLDQSA-N 450.528 1.606 50 1 JDGF C/C(=C\CO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@](C)(CO)CCC[C@]12C 238760300 IQHRODLFQNPIDT-LVVZKRJCSA-N 468.587 1.234 50 1 JDGF CN(NC(=O)CC(=O)NN(C)C(=S)c1ccc([N+](=O)[O-])cc1)C(=S)c1ccc([N+](=O)[O-])cc1 34358934 NEMXUGOJGKLMKE-UHFFFAOYSA-N 490.523 1.870 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N[C@H](CC(=O)O)C(=O)O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504775837 QKRDRBZKADKVFA-JWAJVZJESA-N 499.513 1.562 50 1 JDGF biogenic CS(=O)(=O)NS(=O)(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 26273139 IMSGEDIPKSLPNY-UHFFFAOYSA-N 465.293 1.025 50 1 JDGF CCOC(=O)/C=C/C(=O)N(CCCN)NC(=O)[C@H](CC(C)C)NC(=O)OCCc1ccccc1 29557271 RNGJNTHKHIFNDY-SGWGQVFISA-N 476.574 1.698 50 1 JDGF C/C(=N/NC(=N)N)c1ccc(CNC(=O)N(Cc2ccc(/C(C)=N/NC(=N)N)cc2)N=O)cc1 169323544 NWRFXCBLFDCOAF-DYCUMYEBSA-N 465.522 1.494 50 1 JDGF COc1ccc2cc(NC(=O)[C@@]34C[C@@]5(O)[C@H](C=C[C@@H](O)[C@@H]5ON3)SS4)c(=O)oc2c1OC 2356545554 VNLOGLPDJJSAJI-CZRUWWGISA-N 480.520 1.164 50 1 JDGF 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CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc([N+](=O)[O-])c1)B(O)O 1772638531 SMGNGRYRRIESHG-PMACEKPBSA-N 456.308 1.548 50 1 JDGF O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOCc1ccc(B(O)O)cc1 1857655722 WKEVOOQZQVQBID-SDNWHVSQSA-N 452.297 1.428 50 1 JDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2Br)c1CN1CCCC1 15989422 AFJWJNWNXFMXPZ-UKWGHVSLSA-N 460.296 1.355 50 1 JDGF N#CC1=C2CCCN2[C@](O)(N2CCOCC2)[C@H]1N1C(=O)CS[C@H]1c1ccc([N+](=O)[O-])cc1 103219873 KZSJLQQPPANZFQ-PCCBWWKXSA-N 457.512 1.403 50 1 JDGF O=C(c1nn([C@H]2CCN(CCCl)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1 112942071 ONIZUNGHVJHSTA-HNNXBMFYSA-N 464.975 1.795 50 1 JDGF C/C(=N\NC(=O)CC#N)C1=C(O)[C@H](N)[C@@H]2Cc3c(c(O)c4c(O)c(C)ccc4c3C)C(=O)[C@]2(O)C1=O 169320643 ZUKOWUQBRGLORO-GQJNPGDXSA-N 492.488 1.082 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504340279 ICVRXJQFTIXGAJ-GUSAJTCZSA-N 497.541 1.564 50 1 JDGF biogenic CC(=O)Nc1nc(Cc2nnc(SCC(=O)NN)n2NC(=O)c2ccc(Cl)cc2)cs1 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C=C1C=C[C@H](OC(C)=O)[C@]2(C)C=C[C@H](O)[C@](C)(O)[C@@H]2[C@H](OC(C)=O)[C@]2(O)[C@H](C)C(=O)O[C@H]2[C@@H]1Cl 2356670629 XHSRLFCGNFIZSE-IKBQMXJQSA-N 498.956 1.180 50 1 JDGF COC1=C/C(=C/NNC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)C=C(Br)C1=O 15974584 HPLDDVCKARQKET-UXBLZVDNSA-N 464.232 1.943 50 3 JDGF COC(=O)OC[C@H]1O[C@@H](N2C(=O)N=C(O)[C@H](Br)[C@@H]2N=[N+]=[N-])C[C@@H]1OC(=O)OC 17214583 BRMGQHZGXMOYNS-XDQCBXAXSA-N 466.201 1.828 50 1 JDGF CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]3CC[C@@H]12 169357659 LFCILNBOBBSWDY-LOCJPERUSA-N 451.426 1.324 50 1 JDGF NS(=O)(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C[C@H]([C@@H]3C2=O)[C@@H](Br)[C@@H]4Br)cc1 17414036 RKRMYXYNEHATGY-KISRQWFGSA-N 478.162 1.616 50 1 JDGF CCN1C(=O)[C@H]2CC[C@@H]3/C(=N\NC(=O)OCc4ccc(OC)cc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O 102750946 GJSACLNVAMODJQ-AZQJCYAJSA-N 459.499 1.050 50 1 JDGF COS(=O)(=O)CCN(CCCl)c1ccc(OC(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 27557979 WCWVRBFZSQIQLW-AWEZNQCLSA-N 466.896 1.114 50 1 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50 1 JDGF O=C(NNC(=O)c1ccccc1NS(=O)(=O)c1cnc(O)nc1O)c1ccccc1Cl 1857633144 UEIQVWVVSAWBGI-UHFFFAOYSA-N 463.859 1.417 50 1 JDGF C=C(C=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H](O)[C@H]1[C@@]2(C)[C@@H](O)C[C@H](OC(C)=O)[C@@]1(C)COC(C)=O 66262677 MTEJSIXALGJBGG-JWWKOUDBSA-N 450.528 1.606 50 1 JDGF C[C@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]([C@H]1C)[C@@]24OO3)C(=O)O 504783045 LBTSRSJNTNGWCF-DRAYFQLESA-N 485.530 1.468 50 1 JDGF biogenic CCNNC(=O)[C@@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@@H](O)[C@@H]1CO)OCO3 2020216 CPTIBDHUFVHUJK-NSEXGNSCSA-N 474.510 1.485 50 1 JDGF in-man O=C(O)C(=O)NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O 14681582 RANXASMHOHQHDA-YBFXNURJSA-N 480.362 1.226 50 1 JDGF COC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618009428 YAGHBGNAFBQCPU-KRWDZBQOSA-N 492.708 1.824 50 1 JDGF CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587337108 BBLVWOGNLGLRHQ-XIVPAEIHSA-N 464.453 1.784 50 1 JDGF 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C=C(C=O)[C@H]1[C@@H](OC(=O)C(C)(C)O)[C@H]2C(=C)C(=O)O[C@@H]([C@@H]2OC(=O)C(C)=CC)[C@@]1(C)[C@@H]1CO1 2356656786 YZLKUFINTXKIJN-RGGUHTSMSA-N 462.495 1.435 50 1 JDGF CC(=O)OC[C@H]1O[C@@H](n2nnc(CCl)c2CCl)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 169333031 AOOJZUQUEKZUJM-UYTYNIKBSA-N 496.300 1.011 50 1 JDGF COc1cc(OC)c(OC)cc1/C=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 3204392 ULZOVHDYBVKSJL-HYARGMPZSA-N 463.512 1.497 50 3 JDGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N\NC(=O)[C@@H]1CCCN1 5822463 NTCVNDNONHRQGN-TYOQUCJISA-N 487.516 1.282 50 1 JDGF C[N+](C)(C)CC(=O)N/N=C(\C(=O)Nc1ccc(Cl)cc1)[C@@H]1C(=O)N(c2ccccc2)N=C1N 102954935 WBUXOQXZNWQODY-SFHVURJKSA-O 470.941 1.392 50 1 JDGF O=C(CBr)N[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 194945766 LLJPZWYDUXHCIX-JZHZFXHDSA-N 463.372 1.836 50 1 JDGF O=C(NNCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1ccncc1 1857535277 FIOWNFGVIVWALP-UHFFFAOYSA-N 480.500 1.583 50 1 JDGF Cc1cc(SCC(=O)NNC(=O)Cc2ccccc2)nc(SCCN2CCOCC2)n1 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CC(=O)OCC1=C2/C(=C\[C@@]3(C)CC[C@](O)(O3)[C@H](C)C[C@@H]2OC(=O)[C@@](C)(O)CCl)OC1=O 238741867 KBNAVWJVMFKJOU-MZLNXTFLSA-N 458.891 1.486 50 1 JDGF CCOCCOc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)cc1B(O)O 962964971 KIJPQAZCAPZRHB-KXBFYZLASA-N 455.650 1.402 50 1 JDGF O=C(N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12)OCc1ccccc1 137297926 YAMYYSZOEWNGPN-ULGXWJSGSA-N 485.537 1.201 50 1 JDGF CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@H](CC(=O)NN)N1CCOCC1 587866204 GMETVOBMHQNEGA-INIZCTEOSA-N 455.437 1.689 50 1 JDGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@]21O 13386547 WVTMFOWXYVFVDE-JTGXSFHISA-N 454.903 1.575 50 1 JDGF O=C(NNC(=O)c1ccccc1Cl)c1cccc(NS(=O)(=O)c2cnc(O)nc2O)c1 1857748043 JERQZADHAGDEAN-UHFFFAOYSA-N 463.859 1.417 50 1 JDGF CN(C)c1ccc([C@@H]2SCC(=O)N2[C@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 169306985 NHWHJYZXMOHYMF-VABKMULXSA-N 455.584 1.561 50 1 JDGF COC(=O)/C(C#N)=C(\Nc1cccc2cn[nH]c12)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O 40393018 GMDBCWQFLPYZTP-WXNAFCGMSA-N 479.541 1.476 50 1 JDGF NNC(=O)c1ccc2nc(-c3cc(S(=O)(=O)NCCCN4CCCC4=O)ccc3Cl)[nH]c2c1 586944872 ZNZIJYGEJIIYIG-UHFFFAOYSA-N 490.973 1.778 50 1 JDGF C[C@]12CC[C@H]3[C@@H](CC[C@]4(O)C[C@@H](O)CC[C@]34/C=N/NC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 118913809 GFJQQPYCTIQFPJ-UFRBHASVSA-N 461.559 1.353 50 1 JDGF in-vitro CCCCCCC[C@H]1CN[C@H](C(=O)N[C@H]([C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](C)Cl)C1 64373384 TYZBOQDDMLGQMH-QPCNLUQLSA-N 467.072 1.608 50 1 JDGF CSCC[C@H](N)CSSC[C@@H](Cc1ccsc1)C(=O)N[C@@H](C)C(=O)OC(CO)CO 118656636 TZBDLRJUKJVMNR-IMJJTQAJSA-N 496.742 1.770 50 1 JDGF C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@H](O)[C@]13O[C@](O)(C[C@H]2OC(C)=O)C(=C)[C@@H](Cl)[C@H]1OC(=O)[C@H]3C 2356451286 ZRAYKMVOPKZVJH-XZJDYSDVSA-N 498.956 1.770 50 1 JDGF CC(=O)O[C@H]1[C@@H]2O[C@@H]2[C@]2(C)[C@@H](O)/C=C/C(CCl)=C/[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@H](OC(C)=O)[C@H]2[C@H]1C 169370753 LOUKFFGGKRJYCC-GQSSFTNCSA-N 498.956 1.278 50 1 JDGF Cc1cc(C)cc(CCN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc2ccccc2)c1 169998553 MDGAHOUIOJEGBC-DEOSSOPVSA-N 467.419 1.933 50 1 JDGF Cc1cc(SCC(=O)NNC(=O)Cc2ccccc2)nc(SCC(=O)N2CCOCC2)n1 1857763590 AHMXUNVOKCXSCB-UHFFFAOYSA-N 475.596 1.218 50 1 JDGF CC(C)C[C@@H](/C=N/NC(=O)CN(C)C)NC(=O)[C@@H](NS(=O)(=O)c1ccc(F)cc1)C(C)C 3979693 WUINYGBPWKNVAB-SHRSOGDZSA-N 471.599 1.323 50 1 JDGF Cc1nn(Cn2ccc(C(=O)NN)n2)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587881601 SGCGZPVDPWFLGJ-UHFFFAOYSA-N 474.352 1.823 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N[C@H](CO)C(=O)O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504807111 FUBBKKUQLPZKIW-HHUGQTKXSA-N 471.503 1.080 50 1 JDGF biogenic O=C(N[C@@H](C(=O)N/N=C/[c-]1cc([N+](=O)[O-])ccc1=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 169693970 BBJLLRIIVLJAGC-RNRKLAHPSA-N 485.436 1.532 50 1 JDGF COC(=O)[C@@]1(CBr)CCCCC[C@]12c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963216516 DHRLXOAYTSRPMQ-PBFVBANWSA-N 479.375 1.881 50 1 JDGF O=C(N/N=C/c1c(O)cc(O)cc1O)c1cccc(C(=O)N/N=C/c2c(O)cc(O)cc2O)c1 299830887 YUEOGELDHSPPIV-WDBPGAOMSA-N 466.406 1.448 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=CC2=NNC(N)=O)[C@@H](O)CN3C)N1 587762836 UUWCKJRNLQGGIE-WIRUYUOASA-N 450.312 1.472 50 1 JDGF CC=C(COC(C)=O)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@H]21 2356287053 CBWDZKLRSZQKGM-QDLXVULKSA-N 468.886 1.511 50 1 JDGF C[C@@H](C[Si](O)(O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 170055463 BAUPNCSSOJSBCN-DZFGPLHGSA-N 470.598 1.705 50 1 JDGF C=C1CC[C@H](OC(C)=O)[C@@]2(C)[C@H]1[C@@H](O)[C@]13O[C@](O)(C[C@H]2OC(C)=O)C(=C)[C@@H](Cl)[C@H]1OC(=O)[C@H]3C 2356451283 ZRAYKMVOPKZVJH-CYVCFBSGSA-N 498.956 1.770 50 1 JDGF CC(=O)O[C@H]1[C@@H]2O[C@@H]2[C@]2(C)[C@@H](O)/C=C\C(CCl)=C/[C@@H]3OC(=O)[C@@H](C)[C@@]3(O)[C@H](OC(C)=O)[C@H]2[C@H]1C 255227168 LOUKFFGGKRJYCC-LPVMILELSA-N 498.956 1.278 50 1 JDGF C=C(C)[C@H]1C[C@H](OC(C)=O)[C@@]23O[C@@H]2[C@@H](C[C@](C)(O)/C=C2/C=C(C=O)[C@@](OCC)(C1)O2)OC3=O 13822144 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CC(C)(C)[Si](OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O)(c1ccccc1)c1ccccc1 170069419 ITTZDQXTFVFANF-XJUOHMSHSA-N 466.610 1.762 50 1 JDGF CC1(C)[C@H](O)C[C@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3OC(=O)CCCl 169341465 VFHGZCKPDSLGCN-NJFBEEJJSA-N 460.995 1.348 50 1 JDGF CC(C)CN(CC(=O)NN(Cc1ccccc1)c1cnccn1)/N=C/c1cccc(B(O)O)c1 195376987 QURSJQRMZGWIOL-CCVNUDIWSA-N 460.347 1.186 50 1 JDGF C=C(C=O)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@H]23)[C@@H](OC(C)=O)C1 2356781153 AMXQRHQMVKOSQE-JFAJHMOKSA-N 460.435 1.599 50 1 JDGF C=C[C@@]1(C)CC(=O)[C@@]2(O)[C@](C)(O1)[C@@H](OC(=O)NCCN=C=S)[C@@H](O)[C@H]1C(C)(C)CC[C@H](O)[C@@]12C 13650150 VVJKHTANQSKZOE-PNUNPAGSSA-N 496.626 1.786 50 1 JDGF CC1(C)O[C@@H]2[C@H](NC(=O)N(CCCl)N=O)O[C@@H](COC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1 253636963 YASNUXZKZNVXIS-LJISPDSOSA-N 472.838 1.928 50 1 JDGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)[C@](C)(CO)C[C@]4(O)C=C(C=O)[C@]23O)c(C)c1Cl 2356770977 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NNC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(-n3ncc4ccc(Cl)cc4c3=O)cc2)C1 587654105 IBINXQUKXUYVIH-AWEZNQCLSA-N 461.931 1.430 50 1 JDGF N#CC1=C(S)N([C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(c2ccccc2)=C[C@@H]1c1cccs1 17259004 SSZDHVOMNOQWBF-RWMKOVQRSA-N 458.561 1.653 50 1 JDGF O=c1ccn([C@@H]2C[C@H](F)[C@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 218926417 JULDOLSZHQQOMG-GNKBHMEESA-N 488.591 1.846 50 1 JDGF Cc1cc(C)cc(CCN(CC(=O)N[C@H](CCCNC=N)B(O)O)C(=O)CCc2ccccc2)c1 169998586 DDCLHNTVVUNFED-XMMPIXPASA-N 480.418 1.781 50 1 JDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 72140900 LFCILNBOBBSWDY-LBDLJLMMSA-N 451.426 1.324 50 1 JDGF C=C1C(=O)O[C@H]2[C@H](OC(=O)/C(C)=C\C)[C@@H]1[C@@H](OC(=O)C(C)(C)O)[C@@H](C(=C)C=O)[C@]2(C)[C@H]1CO1 238764461 YZLKUFINTXKIJN-RTDSNKHMSA-N 462.495 1.435 50 1 JDGF CCNC(=S)NNC(=O)c1ccccc1Nc1ccccc1C(=O)NNC(=S)NCC 5582459 GKJIXJBUVXETAO-UHFFFAOYSA-N 459.601 1.688 50 1 JDGF 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O=c1ccn([C@@H]2C=C[C@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069463 YYVXCMVFYOLKQG-RLWLMLJZSA-N 468.585 1.674 50 1 JDGF N#CC1=C(S)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(c2ccccc2)=C[C@@H]1c1ccccc1 254133246 LVMVPMRIRRYZFF-FDBHNZSRSA-N 452.532 1.592 50 1 JDGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)C[C@@H](C(=O)NN)N1CCOCC1 587860246 RXINHPVYHHJBTE-INIZCTEOSA-N 456.330 1.977 50 1 JDGF CCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@@H]2N1)C(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 618014553 XSOYHSJOFMPIDF-YEOLMYPVSA-N 474.949 1.322 50 1 JDGF C=C1[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@@]2(C)[C@@H](OC(C)=O)C[C@H]1OO 2356504594 WXYAKYPYEBHLTO-ZXPGWCLWSA-N 480.510 1.845 50 1 JDGF CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@H]3C=C(C)CC[C@]3(/C=N\NC(N)=O)[C@]1(C)[C@@]21CO1 299808990 FPRAVBDQBYXHRB-NMUPWOEQSA-N 463.531 1.767 50 1 JDGF O=C1OCc2c(cc3n(c2=O)Cc2c-3nc3cc4c(cc3c2CCl)OCCO4)[C@]1(O)CCO 29478459 HOVUHWKJLVMZLY-HSZRJFAPSA-N 470.865 1.562 50 1 JDGF O=c1ccn([C@@H]2C[C@@H](F)[C@@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069445 JULDOLSZHQQOMG-MZKUHISZSA-N 488.591 1.846 50 1 JDGF O=c1ccn([C@@H]2C=C[C@@H](CO[Si](c3ccccc3)(c3ccccc3)c3ccccc3)O2)c(=O)[nH]1 170069459 YYVXCMVFYOLKQG-LVXARBLLSA-N 468.585 1.674 50 1 JDGF Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C/C#N)C[C@@H]2CCCNC2=O)no1 1857603299 IEGCVAVOWYMJHO-JUXXGPTKSA-N 467.501 1.944 50 1 JDGF Cc1cc(N2C[C@H](C(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)CC2=O)cc(C)c1S(N)(=O)=O 1857604546 YFQTYSFYANGBFX-WPZNHYQYSA-N 459.484 1.362 50 1 JDGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 261079779 BNTXXZPUXMSHRP-VWIQXFRCSA-N 486.960 1.373 50 1 JDGF Cc1ccc2c(c1)=NC(=O)C(=C1C[C@H](C3=CC[C@@H](Br)C=C3)N(C(=O)CCC(=O)O)N1)C=2 2356706993 DEZFDONGZPVXJY-OXJNMPFZSA-N 484.350 1.810 50 1 JDGF CC(=O)O[C@@H]1[C@@H](O[C@H]2CCCCO2)[C@@H]2O[C@@H]3C=C(C)CC[C@]3(/C=N\NC(N)=O)[C@]1(C)[C@@]21CO1 169367069 FPRAVBDQBYXHRB-KBOITWLMSA-N 463.531 1.767 50 1 JDGF NNC(=O)C[C@H](C(=O)n1nc(-c2ccccc2)c2cc(F)c(F)cc2c1=O)N1CCOCC1 587656984 OQDOEXUTEUWTKR-GOSISDBHSA-N 457.437 1.063 50 1 JDGF COc1ccc2cc(N(C)C(=O)C3=NO[C@@H]4[C@H](O)C=C[C@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC 2356789090 CWKYOAJKOQIXNM-UOUNVNTQSA-N 464.858 1.187 50 1 JDGF COCCn1c(CCl)nc2c(OC)c3c(=O)n(CCOC)c(CCl)nc3c(OC)c2c1=O 27632433 QMTMJUWLCMSKIJ-UHFFFAOYSA-N 487.340 1.894 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504340282 ICVRXJQFTIXGAJ-XDXOIOJESA-N 497.541 1.564 50 1 JDGF biogenic C=C1C[C@H](OC(=O)O[C@](C)(O)CCl)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl 2356413456 YDHXXWSESREANW-KFVNLDRPSA-N 451.299 1.480 50 1 JDGF CC(=O)O[C@@H]1[C@@H](O[C@@H]2CCCCO2)[C@H]2O[C@@H]3C=C(C)CC[C@]3(/C=N\NC(N)=O)[C@]1(C)[C@@]21CO1 169367070 FPRAVBDQBYXHRB-PYJVIGKWSA-N 463.531 1.767 50 1 JDGF CCCCCC[C@@H]1CCN(C)[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 26285650 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TYZBOQDDMLGQMH-TWKZEORNSA-N 467.072 1.608 50 1 JDGF O=C(Cc1ccc(O)nc1)N/N=C1\C(=O)Nc2ccc(C(=O)N3CCC(NC4CC4)CC3)c(Cl)c21 72180854 WMYYEPVHOTZRQR-UHFFFAOYSA-N 496.955 1.812 50 1 JDGF C=C1C(=O)[C@@]23CC[C@H]4C(C)(C)C[C@@H](OO[C@H]5O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C[C@]4(C)[C@H]2CC[C@H]1C3 2356766915 HXDLNVIFXURGGQ-METLKXQUSA-N 480.598 1.881 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@H]21 2356687483 ROLUXMBDEQQZQJ-PVAHAGOESA-N 454.903 1.432 50 1 JDGF COc1cc(/C=C(\C#N)C(=O)NCCNC(=O)/C(C#N)=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O 13676676 GHHPOUGOEFAMFV-IAGONARPSA-N 494.460 1.273 50 1 JDGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@]2(C=C3C(=C/C2=N\NC(N)=O)[C@H](O)CN3C)N1 587762834 UUWCKJRNLQGGIE-OVCASPHMSA-N 450.312 1.472 50 1 JDGF O=C1C=CC([N+](=O)[O-])=C/C1=C\NNC(=O)[C@H](NC(=O)c1ccccc1)c1n[nH]c(=O)c2ccccc12 15884975 FYSBUTRNGRSMLF-UACNQURRSA-N 486.444 1.198 50 3 JDGF COc1cc(O)c(C(=O)O[C@@H]2C[C@]3(C)[C@@H]4[C@H](O)[C@](C)(CO)C[C@@]4(O)C=C(C=O)[C@@]23O)c(C)c1Cl 2356770979 MUKKFJAVBOTDNB-LNNBVEJOSA-N 496.940 1.279 50 1 JDGF Cc1c(C(=O)NN=C2C(=O)Nc3ccccc32)c(C)n(C)c1C(=O)NN=C1C(=O)Nc2ccccc21 653687085 LTBROARCJXLMAK-UHFFFAOYSA-N 483.488 1.814 50 1 JDGF O=C(NNC(=O)c1ccccc1Cl)c1ccc(NS(=O)(=O)c2cnc(O)nc2O)cc1 1857632692 WCKLLLXSXRWBCY-UHFFFAOYSA-N 463.859 1.417 50 1 JDGF C=C1C=C[C@H](OC(C)=O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@]3(O)[C@H](C)C(=O)O[C@@H]3[C@H]1Cl)[C@@H](C)[C@@H](O)[C@H]1O[C@H]12 2356800660 QFLRROMYTVQTRX-ZCWDQATBSA-N 498.956 1.276 50 1 JDGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(C)Cc3no[n+]([O-])c3C#N)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473124785 PEGVKKCEJMPWKD-HWDBZHCTSA-N 464.519 1.836 50 1 JDGF C=C1C(=O)O[C@H]2[C@@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)C(C)=CCO)[C@H]12 2356687484 ROLUXMBDEQQZQJ-ROFWYDEWSA-N 454.903 1.432 50 1 JDGF Cc1c(C(=O)NNC(N)=S)[nH]c(/C=C/c2ccc(Cl)cc2)c1C(=O)NNC(N)=S 103223680 UKISQEDLWOPEPQ-QPJJXVBHSA-N 451.965 1.103 50 1 JDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1=O)B(O)O 1772612158 QFRRATPZZZKVAM-SFTDATJTSA-N 451.332 1.549 50 1 JDGF O=C(O)[C@@H]1Cc2c(Cl)cc(F)c(F)c2[C@H](c2cc(B(O)O)ccc2OC(F)(F)F)N1 962961411 GQMKCEUYWQWDOL-NHYWBVRUSA-N 451.540 1.885 50 1 JDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2c(Cl)cccc2Cl)c1CN1CCOCC1 15989449 SSTDKZNAMUJFCJ-WNFQYIGGSA-N 466.289 1.135 50 1 JDGF CC(=O)O[C@H]1[C@H]2[C@@H](C)[C@@H](OC(C)=O)[C@H]3O[C@H]3[C@@]2(C)[C@@H](O)C=CC(CCl)=C[C@@H]2OC(=O)[C@@H](C)[C@@]21O 2356521152 LOUKFFGGKRJYCC-VJDGTODESA-N 498.956 1.278 50 1 JDGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N\NC(=O)[C@H]1CCCN1 5822464 NTCVNDNONHRQGN-HSSXETRVSA-N 487.516 1.282 50 1 JDGF O=C1CCCc2cc([C@@]3(CCl)c4[nH]cnc4C[C@H]4C(=O)N5CCC[C@H]5C(=O)N43)ccc2N1 963221197 NFCGXTNPYSSMSI-BSRJHKFKSA-N 453.930 1.925 50 1 JDGF O=C(NC[C@H]1CN(c2ccc(N3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl 3986751 MXIMKARFHMUZDF-NSHDSACASA-N 452.291 1.777 50 1 JDGF CC1(C)[C@H](O)C[C@H]2[C@](C)(O)[C@@H]3CC[C@H]4[C@@H](OC(=O)CCCl)[C@@]3(C[C@H](O)[C@@]21O)C[C@@]4(C)O 253639049 VFHGZCKPDSLGCN-UHVVMWGISA-N 460.995 1.348 50 1 JDGF CC1=C2C(=NC(N)=C(C(=O)NN=C3C(=O)Nc4ccccc43)[C@H]2c2ccc(N(C)C)cc2)NN1 1857656308 OGUSUNVTXNQVHH-SFHVURJKSA-N 456.510 1.273 50 1 JDGF C[C@H](Cl)[C@@]1(c2c(N)n(C)c(=O)n(C)c2=O)N[C@H](C)Cc2cc(Br)c(F)cc21 587689429 SJGZOBXNVLQZQC-SNFQMMDSSA-N 459.747 1.973 50 1 JDGF Cc1onc([C@H]2CNC[C@@H](Cl)C2)c1COc1ccc(C(=O)N2CCS(=O)(=O)CC2)cn1 169685472 SSWMKRVJWBQMQY-CVEARBPZSA-N 468.963 1.512 50 1 JDGF CC(=O)OC[C@@H]1O[C@H](Br)[C@@H](N2C(=O)c3ccccc3C2=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2178319885 GRDUQQNEXMJRRS-ATIWLJMLSA-N 498.282 1.198 50 1 JDGF Cc1cc2cc(N/C(N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)=C(/C#N)C(N)=O)ccc2o1 34689200 FEXNADKYGUVECY-UNJZAIIMSA-N 478.553 1.967 50 1 JDGF NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 1857770106 CIWLILAMCOWUAO-PCLIKHOPSA-N 481.534 1.653 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O 64447607 ABCVSWBURFMCEG-JLTFKRJCSA-N 451.391 1.594 50 1 JDGF O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3ccc4ccccc4c3)Cc3ccccc3C2)[C@@H](O)O1 36092991 WGXRRPITZPAKDK-REWPJTCUSA-N 473.485 1.136 50 1 JDGF O=C1O[C@@H](CI)C/C1=C1/O[C@@H]2CC(=O)N2[C@@H]1C(=O)OCc1ccccc1 1772621425 ROBNSNBYRBBNOO-FLTNFXNASA-N 469.231 1.692 50 1 JDGF CC1(C)OC(=O)C=C[C@]2(C)[C@@H]1CC(=O)[C@]1(C)[C@@H]2CC[C@]2(C)[C@H](C3=CC(=O)OC3=O)OC(=O)[C@H]3O[C@@]321 2356566731 RGJFBFNHUPSYSQ-AHFZSASOSA-N 484.501 1.969 50 1 JDGF COc1cc2c(cc1OC)[C@H](c1c(F)cccc1B(O)O)N(C(=O)c1ccccc1N)CC2 963139750 MMPKLNVVZUCAQX-HSZRJFAPSA-N 450.275 1.893 50 1 JDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 254102250 LFCILNBOBBSWDY-QXHNLJCYSA-N 451.426 1.324 50 1 JDGF CC(C)C[C@H](N)C(=O)N[C@@H](CCCN)CC(=O)NN(C)CC(=O)OCc1cccc(Cl)c1 1857633293 FWEWOSSBWDLDCB-OALUTQOASA-N 470.014 1.333 50 1 JDGF C=C1[C@H](OO)C[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)CCC(C)=C[C@@H]3OC(=O)[C@H](C)[C@]3(O)[C@H](O)[C@H]12 2356800599 QDRUQUVVPDHPBN-LZMPCCNSSA-N 482.526 1.684 50 1 JDGF O=C(OC[C@H]1O[C@@H](n2cc(Br)c(=O)[nH]c2=O)[C@@H](Br)[C@@H]1O)c1ccccc1 34828346 LMIWARFCLUPCMT-GFQSEFKGSA-N 490.104 1.178 50 1 JDGF Cc1ccccc1C(=O)NCC(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 618007968 OXRIHELAYHMIBQ-FQEVSTJZSA-N 489.667 1.864 50 1 JDGF COc1ccc2cc(N(C)C(=O)C3=NO[C@@H]4[C@H](O)C=C[C@H](Cl)[C@]4(O)C3)c(=O)oc2c1OC 2356789089 CWKYOAJKOQIXNM-SWQHDHIYSA-N 464.858 1.187 50 1 JDGF [N-]=[N+]=N[C@H](c1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)nc1O)C(Br)Br 254081828 ZDTHJCBYWMUMPA-OOJXKGFFSA-N 455.063 1.057 50 1 JDGF C=C1[C@H](OO)C[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)CCC(C)=C[C@@H]3OC(=O)[C@H](C)[C@]3(O)C(=O)[C@H]12 2356321054 JVKRVRSDGKJIHG-XWNNXOSFSA-N 480.510 1.892 50 1 JDGF C=C1C(=O)O[C@@H]2[C@H]3C(C)=C[C@@H](OC(C)=O)[C@H]3[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/CO)[C@@H]12 95911427 ROLUXMBDEQQZQJ-BCYVFDFYSA-N 454.903 1.432 50 1 JDGF biogenic,in-vitro O=C(O)CCC(=O)NNC(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1857766651 UXVAAEWBIYLROP-UHFFFAOYSA-N 457.867 1.583 50 1 JDGF CCCCCCCC(=O)OC[C@@H]1O[C@@H](OC)[C@@H](NC(=O)N(CCCl)N=O)[C@@H](O)[C@@H]1O 73258259 DHNBQAVDYAGDBE-WSOGKROESA-N 453.920 1.284 50 1 JDGF CN(NC(=O)CC(=O)NN(C)C(=S)c1cccc(C#N)c1)C(=S)c1cccc(C#N)c1 38470572 BJYBXHCSXHIJOF-UHFFFAOYSA-N 450.549 1.797 50 1 JDGF CN(C)c1ccc([C@@H]2SCC(=O)N2[C@@H]2C(C#N)=C3CCCN3[C@@]2(O)N2CCOCC2)cc1 169306983 NHWHJYZXMOHYMF-VJBWXMMDSA-N 455.584 1.561 50 1 JDGF CCCCCC[C@@H]1CCN[C@H](C(=O)N[C@@H]([C@@H]2O[C@@H](SC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](C)Cl)C1 26375789 BXIVTTAAVOFUBM-CPUJLNBVSA-N 467.072 1.608 50 1 JDGF NNC(=O)c1ccc2nc(-c3cc(Br)cc(S(=O)(=O)N4CCOCC4)c3F)[nH]c2c1 587140274 WPXIKYBHYZHRFN-UHFFFAOYSA-N 498.334 1.756 50 1 JDGF CN1C(=O)[C@]23SS[C@@]1(CO)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O 84758308 NHOTYQNKQTXECK-PHXJMUFTSA-N 480.571 1.661 50 1 JDGF CC(C)(C)N1C(=O)[C@H]2CC[C@@H]3/C(=N\NC(=O)OCc4ccccc4)C[C@@H](O)[C@@H](O)[C@@H]3[C@@H]2C1=O 102625559 JHYARAKVASLQRG-XMTBXFEESA-N 457.527 1.820 50 1 JDGF CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@@H]12 195501237 LFCILNBOBBSWDY-PDFCQTQMSA-N 451.426 1.324 50 1 JDGF O=C(CBr)N[C@@H]1CC[C@@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169303435 LLJPZWYDUXHCIX-CBVOEYLMSA-N 463.372 1.836 50 1 JDGF CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587337079 BBLVWOGNLGLRHQ-LZVDGKSFSA-N 464.453 1.784 50 1 JDGF Nc1nonc1-n1nnc(C(=O)NN/C=C2\C=C(Br)C=CC2=O)c1CNc1ccccc1 15837259 YAGHIFYAECMVAM-PKNBQFBNSA-N 498.301 1.381 50 3 JDGF C=C1C[C@H]2O[C@@H]2[C@@]2(C)C=CC(=O)[C@@](C)(OC(C)=O)[C@@H]2[C@@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 140602342 CORHZFHADRTYDU-HKYAJLFPSA-N 496.940 1.629 50 1 JDGF CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4F)C(=O)[C@@H]3CC[C@@H]12 169357658 LFCILNBOBBSWDY-MVTCXKCUSA-N 451.426 1.324 50 1 JDGF O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NOCc1cccc(B(O)O)c1 1857773646 HJPVEANJBGPCEO-OUKQBFOZSA-N 452.297 1.428 50 1 JDGF CC(=CC=O)CC[C@@H]1C(CO)=C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@@]1(C)CCC[C@@]2(C)CO 2356485467 ICXRAAGOWBSTOS-SAJPCCABSA-N 468.587 1.090 50 1 JDGF Cc1c(-n2c(Cc3ccc(Cl)cc3)nn(CC(=O)NN)c2=O)c(=O)n(-c2ccccc2)n1C 64447652 LXEWMNJYARGCHG-UHFFFAOYSA-N 467.917 1.066 50 1 JDGF NCCCC[C@@H](NC(=O)CN(CC1(c2ccccc2)CC1)C(=O)CCc1ccccc1)B(O)O 169998533 RDRHNQRAGYVVLX-HSZRJFAPSA-N 465.403 1.805 50 1 JDGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 100630452 BNTXXZPUXMSHRP-MAPGONAGSA-N 486.960 1.373 50 1 JDGF CCOc1ccc(Cc2cc([C@@H]3O[C@H](/C=N/NC(C)=O)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1 1857628853 MRPDUFSWXJLYLI-VASLDGHGSA-N 462.930 1.974 50 1 JDGF O=C(N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12)OCc1ccccc1 169298717 YAMYYSZOEWNGPN-ACOOSHDISA-N 485.537 1.201 50 1 JDGF O=C(CCl)N1CCN(S(=O)(=O)c2cccc(-c3ccc4c(O)nc(O)nc4n3)c2)CC1 587562627 IAMPBEHEGQMBQF-UHFFFAOYSA-N 463.903 1.175 50 1 JDGF CCOc1cc(-c2cc(Cl)ccc2Cl)nn1C(=O)[C@@H](CC(=O)NN)N1CCOCC1 587860171 QGDZXFJWCAEYHZ-MRXNPFEDSA-N 456.330 1.977 50 1 JDGF O=C1Nc2ccc(F)cc2C1=NNC(=O)c1cncc(C(=O)NN=C2C(=O)Nc3ccc(F)cc32)c1 653699895 JLBZQGXWJWSHDW-UHFFFAOYSA-N 489.398 1.532 50 1 JDGF C=C1[C@H](OO)C[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)CCC(C)=C[C@@H]3OC(=O)[C@]4(C)O[C@]34[C@H](O)[C@H]12 2356504593 WXYAKYPYEBHLTO-IQVZYSSHSA-N 480.510 1.845 50 1 JDGF C=C1C[C@H](OC(=O)C(C)=CCOC(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl 2356699719 HHJVKRNLEVFVRT-VPYUWIHPSA-N 454.903 1.432 50 1 JDGF COc1cccc([C@@H](CC(=O)N[C@@H](Cc2ccccc2C)B(O)O)NC(=O)c2cccnc2)c1 195462354 GUQKWZQVXKPSMX-PKTZIBPZSA-N 461.327 1.999 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](CCl)[C@@H](O)[C@H](O)[C@H]1O 64426672 RTWVKBBYHPAMBH-OUUBHVDSSA-N 485.836 1.813 50 1 JDGF COc1cc(OC[C@H](O)CCl)c2c(c1)O[C@@H]1COc3cc(OC)c(OC)cc3[C@]1(O)C2=O 72178576 FVRIPAHXOYEWRZ-KRGCRAHLSA-N 466.870 1.915 50 1 JDGF C/C(=N\NC(=O)CN1CCOCC1)c1ccc2nnc(C(F)(F)c3ccc4ncccc4c3)n2n1 96169149 OLORFKYWFLHSSB-JFLMPSFJSA-N 480.479 1.985 50 1 JDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(S(N)(=O)=O)cc2)C1 618007884 MAJDPALCDXFTDV-INIZCTEOSA-N 474.674 1.245 50 1 JDGF Cc1ccc2c(c1)=NC(=O)C(=C1C[C@H](C3=CC[C@H](Br)C=C3)N(C(=O)CCC(=O)O)N1)C=2 2356706997 DEZFDONGZPVXJY-OXQOHEQNSA-N 484.350 1.810 50 1 JDGF CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)c1ccccc1Sc1ccccc1C#N 170015644 VBHWNWYMGWXRLJ-FQEVSTJZSA-N 454.361 1.407 50 1 JDGF CCN(C[C@@H]1NC(=O)[C@@H]2CC[C@H](Cl)C[C@H]2N1)C(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 618014550 XSOYHSJOFMPIDF-MNFOOTCESA-N 474.949 1.322 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O 64448008 ABCVSWBURFMCEG-IGGMLHCZSA-N 451.391 1.594 50 1 JDGF CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@@H]3c1ccc(F)cc1 587337117 BBLVWOGNLGLRHQ-XZOYJPPVSA-N 464.453 1.784 50 1 JDGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 261079775 BNTXXZPUXMSHRP-UEWVETAJSA-N 486.960 1.373 50 1 JDGF CN(C)c1ccc([C@@H]2SCC(=O)N2[C@@H]2C(C#N)=C3CCCN3[C@]2(O)N2CCOCC2)cc1 103221230 NHWHJYZXMOHYMF-XPWALMASSA-N 455.584 1.561 50 1 JDGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2C[C@H](O)C[C@@H]2C(=O)O)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504340280 ICVRXJQFTIXGAJ-IDGOMRTLSA-N 497.541 1.564 50 1 JDGF biogenic CCOc1cc(-c2ccc(C(F)(F)F)cc2)nn1C(=O)[C@@H](CC(=O)NN)N1CCOCC1 587866207 GMETVOBMHQNEGA-MRXNPFEDSA-N 455.437 1.689 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CCO)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@H]21 2356687482 ROLUXMBDEQQZQJ-NUVQVEHOSA-N 454.903 1.432 50 1 JDGF C=C1CC[C@@H](OC(C)=O)[C@@]2(C)C=CC(=O)[C@@](C)(O)[C@@H]2[C@@H](OC(C)=O)[C@]2(O)[C@@H](C)C(=O)O[C@H]2[C@H]1Cl 166389272 HJWXXKPVWAMDOL-LZDPIXATSA-N 498.956 1.612 50 1 JDGF 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50 1 JDGF COc1ccc2cc(N(C)C(=O)C3=NO[C@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC 1857639028 CWKYOAJKOQIXNM-NYGSYELISA-N 464.858 1.187 50 1 JDGF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@H](O)CC[C@]34/C=N/NC(N)=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1 35493882 GFJQQPYCTIQFPJ-SISFEYKGSA-N 461.559 1.353 50 1 JDGF in-vitro CC(C)(C)[Si](C)(C)OC[C@@H]1OC(=O)[C@@H]2[C@@H](S(=O)(=O)c3ccccc3)[C@]3(C)O[C@]12[C@H](O)[C@@H]3O 254077179 MFQXTVUTECDXKP-XFFCGQAKSA-N 484.643 1.655 50 1 JDGF CN(C)c1cccc2c(S(=O)(=O)N[C@H](CCCN=C(N)N)C(=O)OCCCCl)cccc12 27894918 CNUOWRMGLVFELL-QGZVFWFLSA-N 484.022 1.778 50 1 JDGF O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)N/N=C/c1cccnc1 1857639078 CCFDZADTURWECU-XODNFHPESA-N 492.511 1.841 50 1 JDGF CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCI 13650616 YYZXJPDAPACBTG-IHRRRGAJSA-N 468.332 1.425 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@@H]2[C@H](O)C(=O)O[C@@H]2[C@H]1O 64453861 PHMDWGJLMPEFRP-RHQZKXFESA-N 463.358 1.139 50 1 JDGF CC(C)N(NC(=O)c1nccc2ccccc12)C(=O)[C@@H]1CCCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@@H]1O 1857647622 DSBXKPRDBGLLHT-FRBSRZPYSA-N 482.537 1.673 50 1 JDGF CC(=O)OCC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@@H]21 2356545623 LTPNFJHTWMAVBD-XXHKZNDUSA-N 468.886 1.511 50 1 JDGF CC(=O)NCCSSCCNC(=O)[C@H]1CC[C@H](NC(=O)c2nccnc2C(=O)O)CC1 261527188 OMSKFAYIWROESZ-HDJSIYSDSA-N 469.589 1.097 50 1 JDGF in-vivo CCOC(=O)c1cc(CBr)nn1[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 169332956 ICBKJYHHCTUHCU-QBPKDAKJSA-N 491.291 1.279 50 1 JDGF CS(=O)(=O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586939161 ZTJPLVPMQIAEDX-OAHLLOKOSA-N 485.975 1.274 50 1 JDGF CCCCCCC[C@H]1CN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 299812190 TYZBOQDDMLGQMH-SDBIXTFJSA-N 467.072 1.608 50 1 JDGF COc1ccc2cc(NC(=O)[C@@]34C[C@@]5(O)[C@H](C=C[C@@H](O)[C@H]5ON3)SS4)c(=O)oc2c1OC 2356545557 VNLOGLPDJJSAJI-SMKDDPCHSA-N 480.520 1.164 50 1 JDGF C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 17527497 RGFIBPKBUNYJOT-DCJOQCBMSA-N 478.181 1.448 50 1 JDGF CC1(C)[C@@H](O)C[C@@H]2[C@@]1(O)[C@@H](O)C[C@]13C[C@@](C)(O)[C@@H](CC[C@@H]1[C@@]2(C)O)[C@H]3OC(=O)CCCl 169341459 VFHGZCKPDSLGCN-NQRJDLJHSA-N 460.995 1.348 50 1 JDGF CCCC[C@H](OC(=O)CCl)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(=O)C=C[C@@H]1OC(C)=O 2356336442 KXDJKKOPESVDBF-GYWCDFCBSA-N 462.879 1.604 50 1 JDGF CC(=O)Oc1ccccc1C(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](Cl)[C@@H]2S(=O)(=O)C1 27982010 FIXTUUILDHNCMI-YJBOKZPZSA-N 499.925 1.569 50 1 JDGF C[C@@H](C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1)N1C(=O)c2ccccc2C1=O 618009351 VYNGRBSJUAMPSF-IRXDYDNUSA-N 492.667 1.969 50 1 JDGF CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)[C@@H]1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@H]1O 1857638737 DJLYWTRDUYITDZ-MVOHMCPASA-N 467.522 1.888 50 1 JDGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3cnnn3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 100630450 BNTXXZPUXMSHRP-HGBSBIGESA-N 486.960 1.373 50 1 JDGF CC(=O)O[C@H]1[C@@H]2O[C@@H]2[C@]2(C)[C@@H](O)/C=C/C(CCl)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@H](OC(C)=O)[C@H]2[C@H]1C 169370755 LOUKFFGGKRJYCC-HNMRUQJWSA-N 498.956 1.278 50 1 JDGF CCCCCC[C@@H]1CCN[C@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 299810006 BXIVTTAAVOFUBM-IGDIFQSASA-N 467.072 1.608 50 1 JDGF COc1ccc2cc(NC(=O)[C@@]34C[C@@]5(O)[C@H](C=C[C@H](O)[C@@H]5ON3)SS4)c(=O)oc2c1OC 2356545559 VNLOGLPDJJSAJI-YYDUELQBSA-N 480.520 1.164 50 1 JDGF O=C(N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@H]1CC[C@H]1C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12)OCc1ccccc1 195348547 YAMYYSZOEWNGPN-KFMKTROBSA-N 485.537 1.201 50 1 JDGF O=CNNC(=O)CSc1nc2ccc(I)cc2c(=O)n1Cc1ccccc1 1660361 JQSGMHOAVWZCKE-UHFFFAOYSA-N 494.314 1.919 50 1 JDGF CC(=O)OC[C@H]1O[C@@H](n2ccc(NP(=O)([N@@]3CC3(C)C)[N@@]3CC3(C)C)nc2=O)C[C@@H]1OC(C)=O 1857742762 OFGQTPFBAPSFDN-UAGCSEDOSA-N 497.489 1.734 50 1 JDGF C[C@H](/C(=N/NC(=O)C(N)=O)c1c(Cl)ccc(Cl)c1O)[C@]1(O)C(=O)Nc2ccccc21 5813629 XCMZQLSKBKYPEW-HRNOXBLGSA-N 451.266 1.481 50 1 JDGF CC(C)[C@H](N)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccccc1)NC(=O)[C@H](N)C(C)C 26718955 OKLMKROGVHKPPK-OJJQZRKESA-N 483.657 1.575 50 1 JDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]21 102834746 LFCILNBOBBSWDY-XQJVUWEDSA-N 451.426 1.324 50 1 JDGF O=C(NNC(=O)c1ccncn1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1857656595 FEJYOIVHLVPQEW-UHFFFAOYSA-N 463.878 1.822 50 1 JDGF CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587337125 BBLVWOGNLGLRHQ-YIRXLWDVSA-N 464.453 1.784 50 1 JDGF O=C(CCCCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 43482226 NARZHMQOGSVBOJ-UHFFFAOYSA-N 470.526 1.780 50 1 JDGF O=C(NCCCN1CCOCC1)C(=O)N/N=C/c1cccc(COc2ccccc2[N+](=O)[O-])c1 1911576434 HADVSVMYABTLDF-PCLIKHOPSA-N 469.498 1.462 50 1 JDGF O=C1[C@@H]2Cc3ccc(OCc4ccc(B(O)O)cc4)cc3CN2C(=O)N1Cc1ccc(F)cc1 195222684 PHSQCPKIXYAJIL-QHCPKHFHSA-N 460.270 1.974 50 1 JDGF C=C(C=O)[C@@H]1Cc2oc(cc2C(=O)OC)[C@@H]2O[C@]2(C)C[C@H]2OC(=O)[C@@]3(O[C@@H]23)[C@@H](OC(C)=O)C1 2356781151 AMXQRHQMVKOSQE-GWJXEBOTSA-N 460.435 1.599 50 1 JDGF CCN(C[C@@H]1NC(=O)[C@@H]2CC[C@@H](Cl)C[C@H]2N1)C(=O)c1cn(-c2ccc3c(c2)OCCO3)nn1 618014549 XSOYHSJOFMPIDF-CQNRTFJUSA-N 474.949 1.322 50 1 JDGF N#CC1=C(S)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(c2ccccc2)=C[C@@H]1c1cccs1 17258997 SSZDHVOMNOQWBF-KTIJDBJWSA-N 458.561 1.653 50 1 JDGF CNCCNc1c2c(c(NCCNC)c3sc(C(=O)NN)cc13)C(=O)c1ccccc1C2=O 40391948 VGDJMOPSKOMNPT-UHFFFAOYSA-N 466.567 1.543 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O 64426728 ABCVSWBURFMCEG-LWUBGYQZSA-N 451.391 1.594 50 1 JDGF COC(=O)OC[C@H]1O[C@H](N2C(=O)N=C(O)[C@H](Br)[C@@H]2N=[N+]=[N-])C[C@@H]1OC(=O)OC 17214588 BRMGQHZGXMOYNS-KVEIKIFDSA-N 466.201 1.828 50 1 JDGF CC(=O)ON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 64447206 GMXNREBXTXBNRN-WTGUMLROSA-N 465.374 1.122 50 1 JDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)CNC(=O)c2ccccc2)CC1 618007858 KURWJPREEKDLBQ-UHFFFAOYSA-N 452.646 1.714 50 1 JDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccc(Cl)cc2Cl)c1CN1CCCC1 15989538 MHUDMTZIWKDSEI-WNFQYIGGSA-N 450.290 1.899 50 1 JDGF C=C1C=C[C@H](O)[C@@]2(C)[C@@H]([C@H](OC(C)=O)[C@]3(O)[C@H](C)C(=O)O[C@H]3[C@H]1Cl)[C@@H](C)[C@@H](OC(C)=O)[C@H]1O[C@H]12 2356566000 SQFDHRRACIGPRZ-BFZYBDJTSA-N 498.956 1.276 50 1 JDGF C=C1[C@H](Cl)[C@H]2OC(=O)[C@@H](C)[C@@]2(O)[C@@H](OC(C)=O)[C@H]2[C@@](C)(OC(C)=O)C(=O)[C@H]3[C@@H](C=C[C@H]1O)[C@@]32C 2356674069 SVWXDQMPMMYOJL-PUWGEGTFSA-N 496.940 1.078 50 1 JDGF COCCn1c(N)c([C@@]2(CCl)c3c(ccc(OC)c3OC)C[C@@H](C)N2C)c(O)nc1=O 962578116 ZZZXVEOBYSHHHJ-XUSGNXJCSA-N 452.939 1.554 50 1 JDGF O=C(O)CCNC(=S)NNC(=O)Cn1c(C2CCNCC2)nc2cc(Cl)c(Cl)cc21 28227790 XKSBJCJBEJMEEK-UHFFFAOYSA-N 473.386 1.780 50 1 JDGF Cc1ccc2nc(SCC(=O)NNC3=c4cc(F)ccc4=NC3=O)n(-c3ccccc3)c(=O)c2c1 136423627 FOJDUFUFICMLRF-UHFFFAOYSA-N 487.516 1.514 50 1 JDGF CC(=CCO)CCC1=C(C=O)C[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H]2[C@]1(C)CCC[C@@]2(C)CO 2356730802 IQHRODLFQNPIDT-UCTLTEDWSA-N 468.587 1.234 50 1 JDGF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2/C=N/NC(=O)[C@@H]1CCCN1 27655411 NTCVNDNONHRQGN-KQUOIVJHSA-N 487.516 1.282 50 1 JDGF COc1ccc2cc(N(C)C(=O)C3=NO[C@@H]4[C@H](O)C=C[C@@H](Cl)[C@@]4(O)C3)c(=O)oc2c1OC 2356789088 CWKYOAJKOQIXNM-NQBUEBGYSA-N 464.858 1.187 50 1 JDGF CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)Oc1cc(O)ccc1C(=O)[C@H]3c1ccc(F)cc1 587337089 BBLVWOGNLGLRHQ-SNYIIPAISA-N 464.453 1.784 50 1 JDGF C=C1C[C@H](OC(=O)O[C@](C)(O)CCl)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl 2356413452 YDHXXWSESREANW-GINUZCMJSA-N 451.299 1.480 50 1 JDGF Nn1c(Cc2cccs2)nn(CC(=O)NNC(=S)Nc2ccc(Br)cc2)c1=O 299827752 HQUVUGXFGZYYAS-UHFFFAOYSA-N 482.389 1.191 50 1 JDGF O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1cccc(S(=O)(=O)N2CCOCC2)c1 169693974 RWDABUXXBSIRRG-RGVLZGJSSA-N 467.867 1.112 50 1 JDGF COc1cc([C@@H]2N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)cc(OC)c1B(O)O 962931801 YFPYPJSXQKLRMI-CVDCTZTESA-N 465.267 1.570 50 1 JDGF CC(C)[C@H]1NC(=O)C[C@H]2/C=C/CCSSC[C@@H](NC1=O)C(=O)N1CCC(CC1)CC(=O)O2 473146750 CZULIIYFNYCLQM-ILFOWOMNSA-N 483.656 1.898 50 1 JDGF C[C@]1(c2nc(NC(=O)c3ncc(OCCCl)nc3N)ccc2F)N=C(N)OCC1(F)F 207564771 UWVJOGWOKXGBMT-MRXNPFEDSA-N 459.816 1.658 50 1 JDGF CC(=O)OC[C@@H]1CN(C(=S)SSC(=S)N2CCO[C@H](COC(C)=O)C2)CCO1 1772641633 AFAXRHCATGXLNR-KBPBESRZSA-N 468.644 1.465 50 1 JDGF N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)N(CCCBr)c1ccccc12 98083904 WZZLIORKRLLNME-SFHVURJKSA-N 460.313 1.936 50 1 JDGF CCNNC(=O)[C@H]1[C@@H](c2cc(OC)c(OC)c(OC)c2)c2cc3c(cc2[C@H](O)[C@H]1CO)OCO3 14676557 CPTIBDHUFVHUJK-RWXMBLCBSA-N 474.510 1.485 50 1 JDGF in-man C[C@@H]1[C@H](OC(=O)CCC(=O)N[C@H](CO)C(=O)O)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504807112 FUBBKKUQLPZKIW-KCOYZJSBSA-N 471.503 1.080 50 1 JDGF biogenic C=C1[C@@H]2C(=O)[C@@]3(O)[C@H](C=C(C)CC[C@@H](OC(C)=O)[C@@]2(C)[C@@H](OC(C)=O)C[C@H]1OO)OC(=O)[C@@H]3C 2356321055 JVKRVRSDGKJIHG-ZLZYOVEISA-N 480.510 1.892 50 1 JDGF COc1ccc2c(c1OC)[C@H](c1ccc(F)cc1B(O)O)N(C(=O)c1ccccc1N)CC2 963159572 QBXFKEKAFLAMSC-QFIPXVFZSA-N 450.275 1.893 50 1 JDGF CC(=O)OCC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@H]21 2356545625 LTPNFJHTWMAVBD-YIRPVQGGSA-N 468.886 1.511 50 1 JDGF COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN/C=C2/C(=O)C(C)=NC=C2CO)c1 100564286 UAVMJLSEQMNAHH-LDADJPATSA-N 470.507 1.534 50 3 JDGF Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n(-c2cccc(B(O)O)c2)n1 169865831 IATABIGBXJIAJO-UHFFFAOYSA-N 476.323 1.427 50 1 JDGF CC(=O)OCC1=C2[C@@H](OC(=O)[C@@](C)(O)CCl)C[C@@]3(C)O[C@@H]3CC[C@@]3(C)O[C@@H]3[C@H]2OC1=O 238755085 GVALUQGPVYAVOG-YVHZNIFWSA-N 458.891 1.172 50 1 JDGF CC(=O)OC[C@H]1O[C@@H](n2ccc(NP(=O)(N3CC3(C)C)N3CC3(C)C)nc2=O)C[C@@H]1OC(C)=O 14243589 OFGQTPFBAPSFDN-GPDJCHRBSA-N 497.489 1.734 50 1 JDGF C[C@H](C(=O)NC[C@H]1CCCO1)N1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 169299905 RGFIBPKBUNYJOT-NGCXQTFJSA-N 478.181 1.448 50 1 JDGF O=C1Nc2ccccc2C1=NNC(=O)c1cncc(C(=O)NN=C2C(=O)Nc3ccccc32)c1 653699891 IKUJYLZFOFYJMI-UHFFFAOYSA-N 453.418 1.254 50 1 JDGF O=C(N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C[C@@H]4CCCO4)C(=O)[C@@H]3CC[C@@H]12)OCc1ccccc1 169298718 YAMYYSZOEWNGPN-ZPVJWZRTSA-N 485.537 1.201 50 1 JDGF N#CC1=C(S)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(c2ccccc2)=C[C@H]1c1ccccc1 254133254 LVMVPMRIRRYZFF-NJBWDUTESA-N 452.532 1.592 50 1 JDGF COC(=O)[C@@]1(CBr)CCCCC[C@@]12c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963216510 DHRLXOAYTSRPMQ-LATRNWQMSA-N 479.375 1.881 50 1 JDGF CN(C)[C@@H]1C(O)=C(C#N)C(=O)[C@@]2(O)C(=O)C[C@@H]([C@]3(C)OC(=O)c4c(O)ccc(Cl)c43)C[C@@H]12 103524336 LLGMOYSDYFLOGF-REEKZYMCSA-N 460.870 1.606 50 1 JDGF in-vitro CC(C)(CN(CC(=O)N[C@H](CCCNC=N)B(O)O)C(=O)CCc1ccccc1)c1ccccc1 169998503 LTVJYZXRRBSKBE-HSZRJFAPSA-N 480.418 1.899 50 1 JDGF O=C(CBr)N[C@@H]1CC[C@]2(O)[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@@H]1O5 169303437 LLJPZWYDUXHCIX-QHKCDOFWSA-N 463.372 1.836 50 1 JDGF CS(=O)(=O)O[C@@H]1[C@@H](Cl)CCC[C@H]1Cc1ccc(N2CC(=O)CS2(=O)=O)c(O)c1 45386463 YNGRFRCHJRRWBC-JDFRZJQESA-N 451.950 1.406 50 1 JDGF CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c(O)nc1=O 963227994 HQASUTMTVZOMCR-KSFYIVLOSA-N 457.918 1.817 50 1 JDGF N#C[C@H](O)[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)/C=C/c1ccccc1 210333994 UJFNOZFDUMAJFU-XSAZPJIKSA-N 474.561 1.713 50 1 JDGF in-vitro CC1(C)O[C@H]2[C@H](COC(=O)c3ccc([N+](=O)[O-])cc3)O[C@@H](NC(=O)N(CCCl)N=O)[C@@H]2O1 17064520 YASNUXZKZNVXIS-BYNSBNAKSA-N 472.838 1.928 50 1 JDGF in-man O=C(N[C@@H](Cc1ccccc1)B(O)O)[C@H](Cc1cccc2ccccc12)NC(=O)N1CCOCC1 195478817 BPXDSWBQAUJBST-ZEQRLZLVSA-N 475.354 1.532 50 1 JDGF C=C1[C@H](OO)C[C@H](OC(C)=O)[C@]2(C)[C@H](OC(C)=O)CCC(C)=C[C@@H]3OC(=O)[C@H](C)[C@]3(O)[C@@H](O)[C@H]12 2356800597 QDRUQUVVPDHPBN-CLALONCNSA-N 482.526 1.684 50 1 JDGF C[C@H](C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1)N1C(=O)c2ccccc2C1=O 618008193 BTXKXHNDDYIXIC-MRXNPFEDSA-N 492.667 1.969 50 1 JDGF CC(=O)O[C@H]1[C@@H]2O[C@@H]2[C@]2(C)[C@@H](O)/C=C\C(CCl)=C\[C@@H]3OC(=O)[C@H](C)[C@@]3(O)[C@H](OC(C)=O)[C@H]2[C@H]1C 169370752 LOUKFFGGKRJYCC-UKUAGXCVSA-N 498.956 1.278 50 1 JDGF CN(C)CCSSCCN(C)C(=O)[C@H](CCC(N)=O)NC(=O)OCc1ccccc1 618010191 RZWDBQWGPKNNEO-KRWDZBQOSA-N 456.634 1.948 50 1 JDGF C[C@H](O)[C@H](NC(=O)CCC(=O)O[C@@H]1O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@@H]([C@H]1C)[C@@]24OO3)C(=O)O 504783047 LBTSRSJNTNGWCF-LVWZPBJTSA-N 485.530 1.468 50 1 JDGF biogenic C[C@@H](OP(=O)(O)O)[C@H](NC(=O)/C=C\CCCCSSCCS(=O)(=O)O)C(=O)O 98209408 CVQZOMWKHKTFCZ-RDVLDQKLSA-N 481.507 1.049 50 1 JDGF in-vitro C=CCc1cc(F)cc(/C=N/NC(=O)CN2CCN(Cc3ccc(S(N)(=O)=O)cc3)CC2)c1O 299851657 HZVPIBIKJJAVIB-VULFUBBASA-N 489.573 1.175 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@](O)(CCl)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@@]21O 14924460 WVTMFOWXYVFVDE-AMXRBJQQSA-N 454.903 1.575 50 1 JDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O 64448010 ABCVSWBURFMCEG-YLLORCDKSA-N 451.391 1.594 50 1 JDGF COc1ccc(C2=C(C#N)C3=NCC(=O)N3C(Nc3ccc(S(N)(=O)=O)cc3)=N2)cc1OC 103187587 OZFSIMHYKSDQGZ-UHFFFAOYSA-N 466.479 1.308 50 1 JDGF O=C(N/N=C/c1ccc(O)c(O)c1O)c1cccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)c1 299828179 LSTWYAFZRHRWDA-WDBPGAOMSA-N 466.406 1.448 50 1 JDGF CN(CCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1)C(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13676783 PETMUPXIUCJYJT-BEQMOXJMSA-N 462.462 1.988 50 1 JDGF CC(=O)O[C@H]1C=COC=C2C[C@@]34SS[C@@]5(CC6=COC=C[C@H](O)[C@@H]6N5C3=O)C(=O)N4[C@@H]21 100520825 HXWOWBFXYUFFKS-VNXBCOTQSA-N 462.505 1.138 50 1 JDGF in-man CS(=O)(=O)OCCN(CCCl)c1ccc(C(=O)N[C@@H](CCCC(=O)O)C(=O)O)cc1 26578774 HRKVIFPMHXTMGN-HNNXBMFYSA-N 464.924 1.146 50 1 JDGF CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)/N=C/c1cccc(B(O)O)c1 195383043 RPVIJVZYQBLRCB-MZJWZYIUSA-N 482.390 1.984 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@H](OC(C)=O)C=C(C)[C@@]21O 254080629 WVTMFOWXYVFVDE-SKJLGFJOSA-N 454.903 1.575 50 1 JDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(c3ccc(F)cc3F)C(=O)[C@H]12 254102248 LFCILNBOBBSWDY-MDSKGMQUSA-N 451.426 1.324 50 1 JDGF CC(=O)OCC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@@H]21 2356545620 LTPNFJHTWMAVBD-RFPDKSMJSA-N 468.886 1.511 50 1 JDGF C[C@@H](C[Si](O)(O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)O 170055461 BAUPNCSSOJSBCN-YYWHXJBOSA-N 470.598 1.705 50 1 JDGF CC(=CCO)CCC1=C(C=O)CC[C@@H]2[C@]1(C)CCC[C@@]2(C)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356584017 QNXCBHRXRAEATN-FHNVJLOUSA-N 482.614 1.624 50 1 JDGF CCCCCC[C@H]1CCN[C@@H](C(=O)N[C@H]([C@H](C)Cl)[C@@H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C1 253697668 BXIVTTAAVOFUBM-LMWCSLHISA-N 467.072 1.608 50 1 JDGF CC(C)N(NC(=O)c1ccc2ccccc2c1)C(=O)[C@H]1CCC[C@H]1C(=O)N[C@H]1CC(=O)O[C@@H]1O 1857638736 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C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCN(C)Cc3no[n+]([O-])c3C(N)=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 473122824 JWWZUYNWSPSWDR-PQISFWQKSA-N 482.534 1.063 50 1 JDGF COc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccccn4)CC3)ccc2=O)cc1 43009126 JCYCSQXHLZWBIB-LGJNPRDNSA-N 461.526 1.318 50 1 JDGF CC1(C)OC[C@H]([C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OCC(=O)NNC(=O)C=Cc2ccccc2)O1 2356853610 RHUOIDQSBWTIEJ-YNUHATHGSA-N 462.499 1.260 50 1 JDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@@H](OC(C)=O)C=C(C)[C@@]21O 2356550544 WVTMFOWXYVFVDE-LRANODPOSA-N 454.903 1.575 50 1 JDGF CN(C)c1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 34144998 RIWCDUAKVGJCAQ-QRVIBDJDSA-N 452.523 1.438 50 1 JDGF