smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl 85979760 HHVCVAIASNFMBE-MNAPGUCWSA-N 458.935 2.863 50 1 JFGF in-man CO[C@@H]1C[C@]2(C=C(Br)C(=O)[C@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 2356813266 CFBTYLSRRNPCCC-XCJKDKRRSA-N 495.171 2.778 50 1 JFGF CCN1CCN(c2cc3c(cc2F)c(=O)c(-c2nc4ccc(C(=O)NN)cc4[nH]2)cn3C2CC2)CC1 587172392 HQTPZABYBILMJV-UHFFFAOYSA-N 489.555 2.764 50 1 JFGF CCOC(NNC(N)=O)=C(C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C 2356870365 XQMJFRCSZLZNIM-CSAOODRFSA-N 453.580 2.842 50 1 JFGF CN1C(NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NS(=O)(=O)c2cc(Cl)ccc21 28951321 RPIKEWBBNBFNNB-UHFFFAOYSA-N 475.870 2.937 50 1 JFGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cc(Cl)ccc1Cl)B(O)O 1772571974 GVVHQXLTHYDTPM-PMACEKPBSA-N 480.201 2.947 50 1 JFGF COc1c(Br)cc([C@@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1B(O)O 961614902 NXJIKYIZGAXWAU-INIZCTEOSA-N 466.966 2.668 50 1 JFGF COc1cc(C(=O)NCC(=O)N/N=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)cc(OC)c1OC 15899933 UAGPOFJMBDUOOG-ROTLSHHCSA-N 482.449 2.761 50 1 JFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](OCCOCCOC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 84758152 FBVLEIUFHBQQBC-SDXPXOBOSA-N 472.531 2.636 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=C(Br)[C@@H](O)[C@@H](Br)C1)CCN2 85666435 ADJRHISOBFEROA-HIIUDZQISA-N 467.161 2.597 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 299810163 LMYWXWRDKLXOIX-QANOXMTOSA-N 450.959 2.592 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 587764630 AMLBXTNREGCESX-GTJPDFRWSA-N 460.351 2.783 50 1 JFGF O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccccc2)(c2ccc(B(O)O)cc2)N1 963172701 CRJZINNKZCATQI-IFMALSPDSA-N 475.659 2.929 50 1 JFGF C/C(=N\NC(=O)c1sc(N)c(C#N)c1N)c1ccc(NS(=O)(=O)c2ccccc2)cc1 299864089 LWTMANMMGYVNIA-WYMPLXKRSA-N 454.537 2.739 50 1 JFGF O=C(CNC(=O)OCc1ccccc1)N[C@H](Cc1ccccc1)C(=O)N(CCCl)CCCl 27622107 NBKLOSPRHVINTB-HXUWFJFHSA-N 480.392 2.947 50 1 JFGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(Br)cc1 102845665 LZVMLIKVKDNJEC-RGVLZGJSSA-N 450.314 2.850 50 1 JFGF NNC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@@H](N)C5)c(F)cc4c3=O)[nH]c2c1 587172747 KYSGNBGCLRNXIQ-OAHLLOKOSA-N 489.555 2.940 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1 618017701 OEIBHPRHZZOEBM-LBPRGKRZSA-N 450.001 2.706 50 1 JFGF COC(=O)[C@@H]1CCCN1C(=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 504735825 YNHWFQPIXQFZGI-RKGXNEKNSA-N 495.569 2.682 50 1 JFGF biogenic COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)CC(=O)Nc2cccc(Cl)c2)ccc1OC(C)=O 101083889 PPJDXMLBMNMRBZ-VQTJNVASSA-N 480.304 2.825 50 1 JFGF COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(=O)CCl 13760597 AHLHBWADRATXEX-UJWQGVEQSA-N 462.882 2.755 50 1 JFGF COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccc(OC)c(O)c3)c2)cc1 33418202 WLCFTNFGGKQSPC-UCQKPKSFSA-N 455.492 2.974 50 1 JFGF COc1ccc(C2=C(SSC3=C(c4ccc(OC)cc4)N[C@@H](N)N3C)N(C)[C@H](N)N2)cc1 2356825673 HTRQHNANXNITAS-FGZHOGPDSA-N 472.640 2.592 50 1 JFGF CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(O)CC[C@@H]12 238770476 GQGQFMYAQIAQJH-RFNSKGQRSA-N 457.405 2.949 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]3[C@@H](Cl)C[C@H](NC(=N)N)N3C2=O)cc1Br 2356415481 MDIOHWBFIARCJI-DRCTWCGVSA-N 494.571 2.566 50 1 JFGF C/C(=N/NC(=O)c1ccncc1)c1cccc(CN2CCN(Cc3ccc(F)cn3)CC2)c1O 169348316 DQKJLQPDXYAHQP-MIXAMLLLSA-N 462.529 2.793 50 1 JFGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(-c3c[nH]c4nccc-4c3)c3c(N)ncnc32)C1 1857552138 HFBFHYNLEWMUCY-XSZFBFBBSA-N 453.510 2.927 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)C(C)=CC)[C@H]12 2356427597 GHOJZPMHDHAHHX-YUMYIRISSA-N 458.507 2.678 50 1 JFGF CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1 13471997 RGEQAOKIKQBWGC-CMOCDZPBSA-N 486.012 2.512 50 1 JFGF COc1ccccc1-c1nnc(-c2ccc(C(=O)NNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)o1 1911573409 YJSCZTCKQKLIQY-UHFFFAOYSA-N 495.473 2.944 50 1 JFGF NCCCC[C@@H](NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O 169998559 NGKBEHNBFCCOSR-RUZDIDTESA-N 493.457 2.586 50 1 JFGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 618008181 UBAGHFAFSABHDS-APWZRJJASA-N 496.724 2.787 50 1 JFGF COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@H]32)(OC)OO1 253636315 JLIXHLXSEONGGM-KAWQCOBFSA-N 499.605 2.920 50 1 JFGF COC(=O)C[C@H]1CC[C@@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 169346260 JLIXHLXSEONGGM-SKLUIXNNSA-N 499.605 2.920 50 1 JFGF Nc1ccccc1[C@]1(CCl)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963703656 MJKMQMZGKMRMGT-JCYRPKCISA-N 479.964 2.865 50 1 JFGF COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)cc1 49069462 RNDALOGYOHQSQR-OAQYLSRUSA-N 450.520 2.647 50 1 JFGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1ccc(F)cc1)B(O)O 195463335 MSZCTFVKIPBFCM-YADHBBJMSA-N 452.266 2.566 50 1 JFGF CCCCOc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 38202569 WBLDBFJPEXWUJJ-MYYYXRDXSA-N 481.561 2.551 50 1 JFGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1 103202365 MKBXWIAQRCXYHE-KRWDZBQOSA-N 453.846 2.698 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 195481817 JCEHMHPUDMTGQR-UHKDKGHLSA-N 486.678 2.836 50 1 JFGF O=C(O)CC[C@H](NC(=O)Oc1ccc(N(CCBr)CCBr)cc1)C(=O)O 27556967 QQSXRQNXCOADRT-ZDUSSCGKSA-N 496.152 2.689 50 1 JFGF O=C(O)c1ccc(P(=O)(O)c2ccc(C(=O)O)cc2Br)c(Br)c1 1642181 CDDLJPJHIZMBOV-UHFFFAOYSA-N 464.002 2.829 50 1 JFGF CCCN1CC[C@@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2NC(=O)CBr)[C@@H]1C5 100687053 GTWZIHJZYOBNJM-KEDIAOAUSA-N 489.410 2.656 50 1 JFGF CN(C)S(=O)(=O)c1ccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c2c1 587009837 VPUSAYYBXXGGTO-IBGZPJMESA-N 459.959 2.933 50 1 JFGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13862963 BZRUQNTYVLMGAR-LBPRGKRZSA-N 452.298 2.708 50 1 JFGF COc1ccc(OC)c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 618007846 KOTSXSXXMKTKKX-UHFFFAOYSA-N 455.646 2.615 50 1 JFGF O=C(NN/C=C1\C=C(Br)C=CC1=O)C(=O)Nc1ccccc1OC(F)(F)C(F)F 13124973 WXKDBJIUGTYJCP-CMDGGOBGSA-N 478.196 2.784 50 3 JFGF COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(OC)c1OC 618009289 VCTHJEJUXQHRCL-UHFFFAOYSA-N 485.672 2.624 50 1 JFGF C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@@]23OO4 103184981 UXOROFJDMQLTES-KVNNJNDPSA-N 462.509 2.659 50 1 JFGF CN1C(=O)[C@@]23C[C@@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SS3 95561416 XHPIWHHLWCZQEF-PVSGBFIBSA-N 464.572 2.690 50 1 JFGF Cc1cc2c(cc1F)[C@@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)NCC2 962301568 SEGBWHXAPMUQQV-OAQYLSRUSA-N 483.403 2.939 50 1 JFGF CCN(CC)C1=CC(=O)/C(=C/NNC(=O)c2cccc(S(=O)(=O)Nc3ccccc3OC)c2)C=C1 13122053 HSVHKXHVSOGWGA-HTXNQAPBSA-N 496.589 2.979 50 3 JFGF Cc1cc(N2C[C@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)c(Cl)c(C)c1S(N)(=O)=O 1857612341 QNNLWBCXVKKVRW-UUCQMEITSA-N 483.377 2.761 50 1 JFGF OC[C@H]1[C@@H]2C[C@H](Nc3ncnc4c3ncn4[C@H]3C[C@@H]4[C@@H](Cl)C[C@H]3[C@H]4CO)[C@H]1C[C@@H]2Cl 473123333 VHMIWXPHIUJZJC-ADUNIYCLSA-N 452.386 2.659 50 1 JFGF CC(C)c1nn(C)c2c1[C@@](CI)(CN1C(=O)c3ccccc3C1=O)NCC2 962921636 PDRHTOZJCRJYDE-HXUWFJFHSA-N 478.334 2.616 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O 100778442 QXPGYRDUXBYJHG-PXAYXESBSA-N 450.915 2.888 50 1 JFGF endogenous,in-man CC(=O)OCC=C(COC(C)=O)C[C@H](C=C(C)C[C@@H](C=C(C)C=O)OC(C)=O)OC(C)=O 2356432505 CPTQKVROSNDWKU-GOTSBHOMSA-N 452.500 2.774 50 1 JFGF CC(=O)OC[C@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@]1(O)CCl)[C@H]32 72112032 YWMLBMVBAIUMOC-ILXDFJSXSA-N 484.973 2.534 50 1 JFGF in-vitro O=C(NN=CC[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO[C@@H]1CCCCO1)c1ccncc1 1857594426 QSENQGAVKZPPFT-JIKXHTODSA-N 461.559 2.639 50 1 JFGF O=C(CI)N[C@@H]1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169368299 SOWVRVJXSQPXGW-IDNPNKOWSA-N 494.373 2.761 50 1 JFGF CN(C)CCNc1ccc(NCCN2CC[C@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O 40568069 RMOFXQSTELYLBE-AWEZNQCLSA-N 472.973 2.572 50 1 JFGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238783632 IZFLOHYJKHANOO-LVYQWWQQSA-N 460.523 2.758 50 1 JFGF Oc1ccc2c3c1O[C@H]1[C@@H](I)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13650858 XEXVJJBUTPOPFH-LRLHPVAZSA-N 453.320 2.760 50 1 JFGF Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 169293446 GDYYNPPSNRQWIC-SGQCNSLWSA-N 470.161 2.711 50 1 JFGF Cc1cc(C)cc(C(C)(C)CN(CC(=O)N[C@@H](CCCCN)B(O)O)C(=O)CCc2ccccc2)c1 169998575 NNDZBMZJIBCTOP-VWLOTQADSA-N 495.473 2.668 50 1 JFGF C[C@H](N)[P@](=O)(O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195188199 MVOITUILPRJUDV-XJFOESAGSA-N 472.559 2.593 50 1 JFGF Cc1cc(C(=O)N2CCC3(CC2)COc2ccc(CN)cc23)cc(-c2cccc(B(O)O)c2)c1C 218785577 LNQZAWLLFFUBBS-UHFFFAOYSA-N 470.378 2.675 50 1 JFGF CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 299814254 UEJGAGUXDUNUSH-AYLPJJBHSA-N 462.571 2.664 50 1 JFGF COc1ccc2nc(COc3ccc(C[C@H](SSC[C@@H](N)C(=O)O)C(=O)O)cc3)n(C)c2c1 299853971 SCMSCMPJBXGKLP-APWZRJJASA-N 491.591 2.950 50 1 JFGF Cc1nc(-c2cccnc2)sc1C(=O)N1CCC(C(=O)NCCSSCCN)CC1 618007715 MPCWPXMCXYSRIP-UHFFFAOYSA-N 465.670 2.822 50 1 JFGF Cc1c(Cl)cccc1S(=O)(=O)NCc1cn(CCSSCCN(C)C)nn1 618009599 FNBKLVOZLYOPLO-UHFFFAOYSA-N 450.055 2.661 50 1 JFGF Cc1c(C(=O)NNCc2nc3ccccc3[nH]2)sc(C(=O)NNCc2nc3ccccc3[nH]2)c1C 95563124 KOPPPDJWLWMXPC-UHFFFAOYSA-N 488.577 2.987 50 1 JFGF Cc1onc(-c2ccccc2)c1[C@@]1(CBr)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963198963 BKMRSGGXHFVADM-QQMNAOGKSA-N 496.365 2.770 50 1 JFGF CC(=O)N[C@@H](CSC(=S)NCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 1857767187 RLEXVCNQDGTEBI-IBGZPJMESA-N 464.549 2.588 50 1 JFGF CCCC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C)C(=O)CBr 28103023 BVRZTUSFYVCZEA-IEZWGBDMSA-N 482.419 2.585 50 1 JFGF C[C@H]1O[C@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](O)C[C@@H]2Cl)[C@@H]1O 238740638 APNVVMOUATXTFG-SFCPLNGSSA-N 460.590 2.868 50 1 JFGF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)[C@H]21 1911571157 SOJXENMCINZIBC-VWLOTQADSA-N 453.307 2.574 50 1 JFGF CCN(CC)c1ccc2cc(-c3nc4sc(S(N)(=O)=O)nn4c3SC#N)c(=O)oc2c1 103188673 FUIMQNHIBGLTMN-UHFFFAOYSA-N 476.565 2.631 50 1 JFGF CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(C#N)=C(N)N2C1)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2nc13 1772582438 MAFAISNXFRSCJB-RUZDIDTESA-N 496.487 2.889 50 1 JFGF CC(C)(C)[Si](O[C@@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@@H]1CO)(c1ccccc1)c1ccccc1 195496903 VCSVHBXJLMRITK-VSKRKVRLSA-N 489.652 2.634 50 1 JFGF C/C(=N\NC(=O)c1sc(NS(=O)(=O)c2ccccc2)nc1C)c1sc(N)nc1C 13133313 JYHMOOARKBTFQC-SRZZPIQSSA-N 450.571 2.753 50 1 JFGF COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)cc1OC 618008135 SABRELUMEJALML-QGZVFWFLSA-N 455.646 2.615 50 1 JFGF C[C@]1(c2csc(B(O)O)c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963019443 OVNAGMJZENNCST-CYFREDJKSA-N 494.765 2.978 50 1 JFGF COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1O 84710959 DYMRRWWQMMGZCG-WJNWYLSZSA-N 474.477 2.657 50 1 JFGF CC(=O)Nc1ccc([C@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nn1 962966802 AFNYQTVITIPYJE-DIFFPNOSSA-N 475.677 2.604 50 1 JFGF COC(=O)COc1ccc(/C=N\NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 33342617 IVQSUBMJYVQUQK-QQXSKIMKSA-N 495.557 2.969 50 1 JFGF CCN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2cc(Br)ccc21 64415746 PHUQCMOIKBVLHF-BWAHOGKJSA-N 482.338 2.988 50 1 JFGF COc1cccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OCc1ccc(F)cc1 15978833 ZILQBLJIIFVAHL-RAWMCFOBSA-N 494.487 2.847 50 1 JFGF CN(C)C(=O)c1ccc2c(c1)[C@](CBr)(CS(=O)(=O)c1ccccc1)NCC2 962922678 GJENXBQPZSTICQ-FQEVSTJZSA-N 451.386 2.598 50 1 JFGF C[C@@]1(c2csc(B(O)O)c2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963019451 OVNAGMJZENNCST-NTKDMRAZSA-N 494.765 2.978 50 1 JFGF Cc1cc2nc3c(nc2cc1C)[C@@]1(C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-])c1ccccc1-3 1772638661 VYYOWKBDUQMHCO-VWLOTQADSA-N 451.490 2.962 50 1 JFGF CC(C)C[C@H](NC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N(C)N(C)C#N 1857593651 XHBRHGRXSUUCGR-NRFANRHFSA-N 456.568 2.688 50 1 JFGF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CCl)CC[C@]34C=O)[C@@]1(O)CC[C@H]2C1=CC(=O)OC1 2356750883 LFDSJZUWJKJWAH-YKXFJNMQSA-N 480.985 2.688 50 1 JFGF O=C(O)CC[C@H](NC(=O)c1c(F)c(F)c(N(CCCl)CCCl)c(F)c1F)C(=O)O 28465965 UYYYSPBKSBEYJF-ZETCQYMHSA-N 463.211 2.575 50 1 JFGF Cc1nc(Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccccc2)cc(N2CCN(CCO)CC2)n1 1772584475 PGDKHNYIZXQBPH-SANMLTNESA-N 484.560 2.910 50 1 JFGF CCOC(=O)c1noc(C)c1[C@@]1(CBr)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963234491 UUJJTZVCAULPDC-KKSFZXQISA-N 474.311 2.945 50 1 JFGF Cn1c(N)c([C@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)nc1=O 963832131 LQGQFSMBXZVBBM-DEOSSOPVSA-N 465.941 2.757 50 1 JFGF CN(Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1B(O)O 1772574257 WDXFYWTWFMXHFD-ZEQRLZLVSA-N 459.355 2.596 50 1 JFGF COc1ccc(OC)c(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618007820 JNKJBRPTTZDCFD-MRXNPFEDSA-N 455.646 2.615 50 1 JFGF COc1ccc([C@@H]2C(C#N)=C(NC(=O)CN3CCOCC3)Oc3c2c(=O)oc2ccccc32)cc1 1772624031 MRAYRMSFMXCRAT-JOCHJYFZSA-N 473.485 2.509 50 1 JFGF CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 2356756630 WUQTXLXCAOVKPK-GAJCVVKISA-N 464.599 2.524 50 1 JFGF O=C(CI)N[C@@H]1CC[C@@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 101506984 SOWVRVJXSQPXGW-UZNYBUTGSA-N 494.373 2.761 50 1 JFGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccccc1Br 102845661 VRNBNHDRRKTINU-RGVLZGJSSA-N 450.314 2.850 50 1 JFGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238733716 FNANXLQPEYLHNF-WLAANKGUSA-N 460.523 2.758 50 1 JFGF CCN(CC)CN1C(=O)/C(=N\NC(=O)c2cn(CC)c3nc(C)ccc3c2=O)c2ccccc21 64426324 JHLUAWFPBVFDCM-MEFGMAGPSA-N 460.538 2.505 50 1 JFGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@H]1c1cccc(OC)c1OC 95604005 DFBXRANNWRIBIF-HSZRJFAPSA-N 476.533 2.895 50 3 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 253646341 NLRHSCFIPPYFIR-QANOXMTOSA-N 495.410 2.748 50 1 JFGF CCCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O 587686629 WECOZZGZHVXUNA-YYSFKGJASA-N 459.747 2.859 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 253635947 HOATYYUKSJYCLD-VEYOAYMESA-N 456.938 2.662 50 1 JFGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@@]2(O[C@@H]1O)[C@H](O)[C@H](Cl)C(=O)[C@@H](Cl)[C@@H]2O 2356805002 VCUWTCWVACEZRD-KKJDUNNJSA-N 492.440 2.577 50 1 JFGF O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009772 QQIYXSQDGMFMHN-BEFAXECRSA-N 492.922 2.544 50 1 JFGF NS(=O)(=O)c1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2)c(Cl)cc1Cl 169351759 RGMGKPUNJVYVII-UHFFFAOYSA-N 453.760 2.926 50 1 JFGF COc1ccc([C@H]2C(C#N)=C(NC(=O)CN3CCOCC3)Oc3c2c(=O)oc2ccccc32)cc1 1772624032 MRAYRMSFMXCRAT-QFIPXVFZSA-N 473.485 2.509 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 1857623805 JCEHMHPUDMTGQR-QTSAQZNOSA-N 486.678 2.836 50 1 JFGF COc1c(Br)cc(/C=C2\O[C@@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br 114630098 MAFCLHRCIOQMGL-NBYYAFJUSA-N 496.587 2.514 50 1 JFGF CC(C)CN(NC(=O)c1ccc(OCCN2CCOCC2)cc1)c1nc(C#N)ncc1Cl 58582115 KBFUKPMTDCLRPJ-UHFFFAOYSA-N 458.950 2.520 50 1 JFGF O=C1[C@@H]2Cc3nc[nH]c3[C@@](CCl)(c3ccc(O)c(Cl)c3Cl)N2C(=O)[C@@H]2CCCN12 963219688 UCYGTYOAXVICBO-SYTFOFBDSA-N 455.729 2.662 50 1 JFGF O=C(Nc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1)c1ccc(B(O)O)cc1 170143777 FCJCCVXLRLHWOD-BKUYFWCQSA-N 476.294 2.994 50 1 JFGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1c[nH]c2cc(C(F)(F)F)ccc2c1=O 618008144 SJBRWTBQXWYIGT-HNNXBMFYSA-N 477.530 2.761 50 1 JFGF COc1ccc(/C=N/NC(=O)c2cn(C3CC3)c3cc(N4CCNCC4)c(F)cc3c2=O)cc1 1857601211 GUJGVDUVXBJJEV-CCVNUDIWSA-N 463.513 2.658 50 1 JFGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1cccc([N+](=O)[O-])c1 55805348 KXAQAFOAFFHHJQ-NRFANRHFSA-N 451.508 2.967 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 618008184 UBAGHFAFSABHDS-LPHOPBHVSA-N 496.724 2.787 50 1 JFGF CC1(C)N=C(N)N=C(N)N1c1cccc(CCc2ccc(NC(=O)CBr)cc2)c1 13446250 BVGCPBHKSPQMCQ-UHFFFAOYSA-N 457.376 2.991 50 1 JFGF CC1=NN(c2ccc(C(=O)N3CCC(C(=O)NCCSSCCN(C)C)CC3)cc2)C(=O)C1 618007841 KICQGZNXRUWCJN-UHFFFAOYSA-N 491.683 2.711 50 1 JFGF COc1ccc2c3c1O[C@H]1C(OC)(OC)[C@@H](I)C=C4[C@H](C2)N(C)CC[C@@]431 254074499 CFQVRXZCCTVTIK-JECZMYCTSA-N 469.319 2.687 50 1 JFGF CCN(CC)c1ccc(-c2nn(C(=O)CCSCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587670116 NZLDCXNRGUOBQJ-UHFFFAOYSA-N 483.594 2.759 50 1 JFGF O=C(NNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccc(Br)o1)c1ccc(F)cc1 1857770801 JSKXJQPEAIEHOV-INIZCTEOSA-N 490.285 2.689 50 1 JFGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc2c(c1)OCO2 55837536 JZNCSWFSJOOTMD-QFIPXVFZSA-N 450.520 2.787 50 1 JFGF O=C(Cc1ccc(F)cc1)N/N=C1\C(=O)Nc2ccc(C(=O)N3CCC(NC4CC4)CC3)c(Cl)c21 72179520 GOXMFJFPIIIWRR-UHFFFAOYSA-N 497.958 2.851 50 1 JFGF C[C@H](O)c1ccc([C@@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 17835510 NZNXPOJRMIXBIR-GXIBKSORSA-N 488.460 2.560 50 1 JFGF CO[C@@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 195411110 UEJGAGUXDUNUSH-MKBIQGRWSA-N 462.571 2.664 50 1 JFGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537782 KBNWBLDSFOMNCZ-NBQZKYEYSA-N 465.252 2.592 50 1 JFGF NC1=C(C=O)[C@@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Br)ccc2O1 963239449 WUAANRIHSMVYEA-XMSQKQJNSA-N 466.291 2.601 50 1 JFGF CCN(CC)S(=O)(=O)c1ccc(N2CCCCC2)c(-c2nc3ccc(C(=O)NN)cc3[nH]2)c1 586930957 QMLQJYUDYXMMKZ-UHFFFAOYSA-N 470.599 2.854 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)cc1)O2 587410660 VCTQWGLOTHMGTC-HSZRJFAPSA-N 491.997 2.530 50 1 JFGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@H]2c1ccc(F)c(B(O)O)c1F 963841235 KBBLSNTYIZPSPW-SZNDQCEHSA-N 461.270 2.679 50 1 JFGF C[C@H]1Cc2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc2N1S(C)(=O)=O 962909455 XJAVXUUIPHOZDM-LJOBPSPCSA-N 452.935 2.618 50 1 JFGF COc1ccc2nc(COc3ccc(C[C@@H](SSC[C@@H](N)C(=O)O)C(=O)O)cc3)n(C)c2c1 299853974 SCMSCMPJBXGKLP-VQIMIIECSA-N 491.591 2.950 50 1 JFGF CCCCC(=O)OC[C@@]1(CCl)O[C@@H](n2ccc(N)nc2=O)[C@H](F)[C@@H]1OC(=O)CCCC 147004122 VKLQBZNTMJBBSY-AJYBTWMASA-N 461.918 2.505 50 1 JFGF CN(/N=N/c1nc(OCc2ccccc2)c2nc[nH]c2n1)C(=O)Oc1ccc(S(N)(=O)=O)cc1 28638188 XDOQNJVXDPONND-CYYJNZCTSA-N 482.482 2.709 50 1 JFGF N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53230532 PJSRJTNKLLUESB-UPVQGACJSA-N 462.598 2.893 50 1 JFGF COc1ccccc1N(CC(=O)NN/C(C)=C1\C=CC=CC1=O)S(=O)(=O)c1ccc(C)cc1 104000721 GYPSHNIORYITHS-CZIZESTLSA-N 467.547 2.789 50 3 JFGF Oc1ccc2c3c1O[C@H]1[C@H](I)CC[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314 13650857 XEXVJJBUTPOPFH-GNUVVZJLSA-N 453.320 2.760 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@](C)(c1cccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)c1)O2 587410076 QCAVZWMQLYEAEO-HSZRJFAPSA-N 491.997 2.530 50 1 JFGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(F)c(B(O)O)c2)N1C(=O)c1ccc(Cl)cc1 963032715 XMWPYXRWJPQJLL-FYYLOGMGSA-N 492.699 2.881 50 1 JFGF Cc1nnc2n(c1=O)N=C(c1ccccc1)[C@@]2(C#N)P(=O)(c1ccccc1)c1ccccc1 49679663 OVIRFJJZPAYZHX-RUZDIDTESA-N 451.426 2.946 50 1 JFGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cncc(Br)c2)CC1 618009123 SOZHYQURXNEHBD-UHFFFAOYSA-N 475.478 2.756 50 1 JFGF O=C(O)C[C@@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 29565635 SWLASRCVXLUPHK-MRXNPFEDSA-N 478.347 2.973 50 1 JFGF COc1ccc(C(=O)OCCc2cn(CCSSCCN(C)C)nn2)cc1[N+](=O)[O-] 618009463 DMPISEYRBMAUOV-UHFFFAOYSA-N 455.562 2.537 50 1 JFGF COc1cc2c(cc1OC)[C@H]1[C@@H]3N(CC[C@@]3(Br)[C@H](Br)[C@H](OC)[C@@H]1O)C2 31904865 BDRBXJGFHDFRJV-NKXHUJMZSA-N 477.193 2.662 50 1 JFGF COc1cc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccc(F)cc1 33364161 SFPQFPKLHBGWAW-RAWMCFOBSA-N 494.487 2.847 50 1 JFGF COC(=O)C(=O)[C@@H](Cl)[C@@]1(C2CC2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963160817 UIYBMRHMKGFJRT-RCZVLFRGSA-N 486.952 2.939 50 1 JFGF O=C(CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)NN/C=C1\C=C([N+](=O)[O-])C=CC1=O 12475132 MHUCEAAPYJJHTI-MDZDMXLPSA-N 458.780 2.882 50 3 JFGF O=C(O[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](CO)NC(=O)C(Cl)Cl)c1ccc([N+](=O)[O-])cc1 1857631373 LIORFVJNOMERKY-HUUCEWRRSA-N 472.237 2.682 50 1 JFGF Cc1nc(C(=O)NNC(=O)[C@@H](N)CCC(=O)OCc2ccccc2)cc2c1[nH]c1ccccc12 73141239 GJZQYHVWHMLGJH-IBGZPJMESA-N 459.506 2.636 50 1 JFGF COc1ccc2c3c1O[C@@H]1C(OC)(OC)[C@@H](I)C=C4[C@H](C2)N(C)CC[C@@]431 254074502 CFQVRXZCCTVTIK-KNEBKQPDSA-N 469.319 2.687 50 1 JFGF CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1C=O 257793293 ZQHNREXELVXBCG-JJOQIFKOSA-N 478.626 2.914 50 1 JFGF endogenous,in-man COc1cc(/C=N/NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)ccc1O 40891565 ZDTSJBBWPPXYNU-HUXSYLCKSA-N 467.547 2.749 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 58486836 HOATYYUKSJYCLD-WGFKBPOKSA-N 456.938 2.662 50 1 JFGF CC(=O)Oc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618008202 UJGNPGODSLQFJG-SFHVURJKSA-N 453.630 2.523 50 1 JFGF CCO[C@@H]1C[C@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 14948790 ZQHNREXELVXBCG-CHHUJMBPSA-N 478.626 2.914 50 1 JFGF endogenous,in-man CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccc(NC(=O)CBr)cc2)c1 17425459 MNMRFMGMOKMWRF-UHFFFAOYSA-N 489.374 2.663 50 1 JFGF Cc1cc2c(cc1S(=O)(=O)Oc1ccc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)cc1)OCO2 40379613 QYEXYRKPHAEICJ-MSXFZWOLSA-N 482.470 2.954 50 1 JFGF C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1)c1ccc(O)cc1 618007692 FEAAIUOFLHUKKG-JXFKEZNVSA-N 462.641 2.635 50 1 JFGF O=C1COc2ccc([C@@]3(CBr)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2N1 963237226 XAHCUESKBITMES-XMSQKQJNSA-N 468.307 2.803 50 1 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 587764633 AMLBXTNREGCESX-LAJNKCICSA-N 460.351 2.783 50 1 JFGF CCCC(=O)Nc1cc(NC(=O)CCC)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 169336181 SATGQYALBOGEIE-CZIZESTLSA-N 459.455 2.830 50 1 JFGF CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)B(O)O)cc1 1857540446 IDMLBBZTOALOPY-NGXZDTIWSA-N 482.430 2.965 50 1 JFGF O=C(CN1[C@H](Cl)CN=C(NCCc2ccccn2)[C@H]1O)NCc1csc2ccc(Cl)cc12 95920925 SOBGXPPOYFFGTK-SIKLNZKXSA-N 492.432 2.996 50 1 JFGF in-vitro CC(C)[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 504744065 FSIOKLOIJYBYHX-QPDYBGIPSA-N 483.558 2.743 50 1 JFGF biogenic C=C1C[C@H](OC(=O)[C@](C)(CCl)OC(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@H](OC(C)=O)C[C@H]12 2356607788 QOFSCUKKFCFXNG-ACWAQZMCSA-N 466.914 2.641 50 1 JFGF CCN(CC)c1ccc2cc(C(=O)NC3(C(=O)N(C)N(C)C#N)CCCCC3)c(=O)oc2c1 95558607 DAQZLXYFNHPPBP-UHFFFAOYSA-N 453.543 2.858 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@@H]1C(=O)c1ccco1 587537784 KBNWBLDSFOMNCZ-YYFZDKIDSA-N 465.252 2.592 50 1 JFGF CC1=NN(c2ccc(C(=O)N3CCC[C@H](C(=O)NCCSSCCN(C)C)C3)cc2)C(=O)C1 618007796 IMRMRQVEJGATTC-IBGZPJMESA-N 491.683 2.711 50 1 JFGF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@H](O)Cn1cc(CBr)nn1 653891113 DOAODBYXSYIKDO-CQSZACIVSA-N 465.307 2.760 50 1 JFGF Cc1[nH]c(C(=O)N/N=C/c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 61695552 CZZOVTKKHKQHJV-UIXGLJBASA-N 475.461 2.556 50 1 JFGF O=C(CBr)Nc1cc(NC(=O)CBr)cc(NC(=O)CBr)c1 98208115 ZGENBODMIMDNJM-UHFFFAOYSA-N 485.958 2.687 50 1 JFGF in-vitro CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C\c1ccc(OCc2ccc(B(O)O)cc2)cc1 170143806 HKSLBTZOOODZEW-OEAKJJBVSA-N 460.270 2.520 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@]21C 253635943 HOATYYUKSJYCLD-SYLAQNHGSA-N 456.938 2.662 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 253690761 NLRHSCFIPPYFIR-NOKIPTNQSA-N 495.410 2.748 50 1 JFGF COc1cc2c(cc1OC)[C@](CC(C)C)(c1cccc(B(O)O)c1)N(C(=O)c1ccccc1N)CC2 963157275 JZTPYBGCDGQACI-NDEPHWFRSA-N 488.393 2.954 50 1 JFGF COc1cc(OC)c(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1OC 618008451 GLYXSXJYAPAIRZ-UHFFFAOYSA-N 485.672 2.624 50 1 JFGF N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@H]12 53293868 YMASSTCKBPATNH-GOTSBHOMSA-N 450.587 2.560 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 118930275 LMYWXWRDKLXOIX-QYPMSQIYSA-N 450.959 2.592 50 1 JFGF CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587683471 HGCPEVACBZVZLW-PRWKNARSSA-N 487.801 2.703 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCC[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 504506665 FGGBGVLIXGEXDO-QYNVAYCCSA-N 481.542 2.593 50 1 JFGF biogenic O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Br)C(=O)C(=O)[C@H]2Br 587497859 MUKAPENKILPKEI-XHBKTUGNSA-N 470.113 2.517 50 1 JFGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(NS(C)(=O)=O)sc3c2CCCC3)cc1 98084694 XZTJIWVMNJOROG-IRXDYDNUSA-N 483.999 2.843 50 1 JFGF CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587684080 KGMFLNMGUNMIDN-BIBXISHDSA-N 487.801 2.703 50 1 JFGF CO[C@@H]1C[C@@]2(C=C(Br)C(=O)[C@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 2356813264 CFBTYLSRRNPCCC-BFKGZMGPSA-N 495.171 2.778 50 1 JFGF O=C(N/N=C/c1ccco1)c1cc(I)cc(I)c1O 6040765 IJOVHVFASZRTMF-GIDUJCDVSA-N 482.015 2.958 50 1 JFGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@H](Br)C(=O)C(=O)[C@@H]2Br 587497854 MUKAPENKILPKEI-PZPSRYQVSA-N 470.113 2.517 50 1 JFGF NNC(=O)c1ccc2nc(-c3cn(C4CC4)c4cc(N5CCCC[C@H](N)C5)c(F)cc4c3=O)[nH]c2c1 587172746 KYSGNBGCLRNXIQ-HNNXBMFYSA-N 489.555 2.940 50 1 JFGF O=C(COc1c(F)cc(C(=O)c2ccc(F)cc2)cc1Cl)NNC(=O)c1ccc(=O)oc1 1857649123 MVLLOCPYGZJZFH-UHFFFAOYSA-N 462.792 2.642 50 1 JFGF COc1ccc(/C=N/NC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@@H]3C)cc1 103290970 GFVWIWRFRFLQOU-GOQVHDTASA-N 493.539 2.618 50 1 JFGF O=C(N[C@@H](Cc1ccc2ccccc2c1)C(=O)N1CCC[C@H]1B(O)O)N1CCc2ccccc2C1 1772598995 YQBAWQRDLPLROB-DQEYMECFSA-N 471.366 2.522 50 1 JFGF CCCC(=O)NNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccccc1 299860460 GSJPZOVYWOMSEY-UHFFFAOYSA-N 470.551 2.502 50 1 JFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587683426 HAUXMRYEDYHXGK-ASCAZGACSA-N 457.731 2.784 50 1 JFGF CCCC[C@@]1(c2cc(B(O)O)ccc2F)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703657 MLVYCHSTVZFECT-UYAOXDASSA-N 457.204 2.696 50 1 JFGF COc1cccc(-c2c(C(=O)N/N=C(/C)c3ccc(Cl)s3)nnn2-c2nonc2N)c1 15899626 MNDGMTAXFVYPHP-NKVSQWTQSA-N 458.891 2.777 50 1 JFGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 49113453 BQNVHVYILKPWTQ-HXUWFJFHSA-N 465.491 2.547 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]3[C@H](Cl)C[C@H](NC(=N)N)N3C2=O)cc1Br 2356415482 MDIOHWBFIARCJI-GLXFQSAKSA-N 494.571 2.566 50 1 JFGF CC(C)(C)[Si](OC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F)(c1ccccc1)c1ccccc1 170069442 XHPAXDNHQFGCEQ-XJUOHMSHSA-N 468.601 2.739 50 1 JFGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@H]1c1ccc(B(O)O)cc1 962998209 SVXRNJHDHFIERP-AREMUKBSSA-N 493.752 2.784 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccccc1)CCCC2 98082702 LAQNAQPCUPNAKU-CVEARBPZSA-N 453.973 2.834 50 1 JFGF O=C(CSc1nnc(-c2ccccc2O)n1Cc1ccccc1)NNC(=O)c1ccccc1O 13124016 NTZJQOPOZSYXJB-UHFFFAOYSA-N 475.530 2.958 50 1 JFGF O=C(O)c1cccc2c1CCN[C@@]2(CBr)c1ccc(S(=O)(=O)N2CCCC2)cc1 963124374 PTYICZSFKNAEFG-NRFANRHFSA-N 479.396 2.954 50 1 JFGF COc1c(Br)cc(/C=C2/O[C@@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br 238787806 MAFCLHRCIOQMGL-HKHCYUJUSA-N 496.587 2.514 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1cccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)c1)O2 587410080 QCAVZWMQLYEAEO-QHCPKHFHSA-N 491.997 2.530 50 1 JFGF N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@H]1c1ccc(F)cc1 1772619947 QNPZOGDLOBRPCA-NRFANRHFSA-N 461.449 2.640 50 1 JFGF O=C(CI)N[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 25989243 SOWVRVJXSQPXGW-DHEQVOMMSA-N 494.373 2.761 50 1 JFGF Oc1ccc2c3c1O[C@H]1[C@@H](I)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100640274 XEXVJJBUTPOPFH-XZWBYJIQSA-N 453.320 2.760 50 1 JFGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 100986323 ZRNZYLSFKFGAJU-OKILXGFUSA-N 455.989 2.947 50 1 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1N1CCOCC1 618017523 MCPDYSHOBHSLQY-KNQAVFIVSA-N 494.727 2.710 50 1 JFGF O=C(CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)N/N=C/c1cccs1 1857644536 JNZPTYDOQKJGDU-RPPGKUMJSA-N 497.552 2.508 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537774 KBNWBLDSFOMNCZ-DKICVRJWSA-N 465.252 2.592 50 1 JFGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1 618008903 NTKOWQWSUPGASB-UHFFFAOYSA-N 464.451 2.954 50 1 JFGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](O)C[C@H]2Cl)[C@H]1O 2356566956 APNVVMOUATXTFG-VBRIPPHLSA-N 460.590 2.868 50 1 JFGF O=C1c2ccccc2-c2c1c1ccccc1c(=O)n2C[C@@H](O)Cn1cc(CBr)nn1 653891109 DOAODBYXSYIKDO-AWEZNQCLSA-N 465.307 2.760 50 1 JFGF CC[C@]1(c2ccc(B(O)O)cc2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903575 AYFBEAHZDVIUQI-NLFFAJNJSA-N 453.344 2.965 50 1 JFGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1ccc([N+](=O)[O-])cc1 103202369 MVLSCVVCMPERLY-QGZVFWFLSA-N 453.846 2.698 50 1 JFGF CC(C)C[C@@H](C(=O)NN(CC(C)C)S(C)(=O)=O)[C@H](C/C=C/c1ccccc1)C(=O)NO 3820345 BACZSFOSMGICGM-WQEUXLNQSA-N 453.605 2.823 50 1 JFGF investigational C[C@H](NC(=O)OCc1ccccc1)C(=O)NNC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 13479038 UQSGKIHVBHHGDX-PXNSSMCTSA-N 484.553 2.585 50 3 JFGF CC(C)CN(CC(=O)N(CC(C)C)NC(=O)OCc1ccccc1)NC(=O)CBr 43450569 PIPMUOMBDHDJQA-UHFFFAOYSA-N 471.396 2.697 50 1 JFGF O=C1c2ccccc2[C@]2(c3ccc(CCl)cc31)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963199579 CEPRYERDTRTFKA-WOVHNISZSA-N 472.932 2.743 50 1 JFGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1ccc([N+](=O)[O-])cc1 55837541 PVZBDAAESMPRIJ-OAQYLSRUSA-N 451.508 2.967 50 1 JFGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@@H](c2ccccn2)N2C(=N1)Sc1cc(O)ccc12 1857614125 SDSIGWYOBMOHAJ-HXUWFJFHSA-N 458.503 2.940 50 1 JFGF COc1ccc2c3c1O[C@H]1C(OC)(OC)[C@@H](I)C=C4[C@@H](C2)N(C)CC[C@]431 31904996 CFQVRXZCCTVTIK-MWLKLMTCSA-N 469.319 2.687 50 1 JFGF CCCN(CCC)Cc1c(C(=O)N/N=C\C(C)=C/c2ccccc2)nnn1-c1nonc1N 100510844 NRDCILSNYFGEBU-SZPWNRCSSA-N 451.535 2.674 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@@]3(Br)CCN(C2)[C@@H]13 299815107 BDRBXJGFHDFRJV-PXOUGSPUSA-N 477.193 2.662 50 1 JFGF CCOC(=O)NN(C(=O)OCC)C(C(=O)C1=CCCCC1)N(NC(=O)OCC)C(=O)OCC 73389864 RAAZNIDOKHNNIY-UHFFFAOYSA-N 472.495 2.621 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 98084708 UDRIVXFOONJEJW-CVEARBPZSA-N 498.970 2.742 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 254216444 JCEHMHPUDMTGQR-MKCQACKASA-N 486.678 2.836 50 1 JFGF CCC[C@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 40861451 TXJKFGQBHALJIU-HNNXBMFYSA-N 469.290 2.850 50 1 JFGF COc1ccc([C@H]2C(C#N)=C(N)N(c3ccc(S(N)(=O)=O)cc3)C3=C2C(=O)CCC3)cc1 49069464 RNDALOGYOHQSQR-NRFANRHFSA-N 450.520 2.647 50 1 JFGF COc1ccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)c(Cl)nc2c1 98084816 LVFNNRQUCPDBRO-FOKLQQMPSA-N 472.910 2.908 50 1 JFGF CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)C=C1C=O 2356756632 WUQTXLXCAOVKPK-ZVCAZEALSA-N 464.599 2.524 50 1 JFGF CC1(C)O[C@@H]2[C@@H](CO[Si](C)(C)C(C)(C)C)O[C@@H](n3cc(Br)c(=O)[nH]c3=O)[C@@H]2O1 195427215 JXOHZASGISIFIC-RGCMKSIDSA-N 477.428 2.738 50 1 JFGF CC(C)[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 504744063 FSIOKLOIJYBYHX-DTGGXJQRSA-N 483.558 2.743 50 1 JFGF biogenic O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(OCc4ccccc4)ccc3B(O)O)N12 962650760 ZWCYODJCLSYHQF-NAKRPHOHSA-N 482.345 2.682 50 1 JFGF CN(C(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)C1CCCCC1 33353658 YJMSSGMPNZCKDR-BORMELSFSA-N 476.209 2.555 50 1 JFGF COc1ccc(C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc2ccncc2)c(C)c1 618008115 RSTSZZMNQQBSCF-FQEVSTJZSA-N 462.641 2.756 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 118922742 LMYWXWRDKLXOIX-WRVWWWEESA-N 450.959 2.592 50 1 JFGF COc1ccc2nc(COc3ccc(C[C@@H](SSC[C@H](N)C(=O)O)C(=O)O)cc3)n(C)c2c1 299853973 SCMSCMPJBXGKLP-QFBILLFUSA-N 491.591 2.950 50 1 JFGF CC(C)c1nn(C)c2c1[C@](CI)(CN1C(=O)c3ccccc3C1=O)NCC2 962921634 PDRHTOZJCRJYDE-FQEVSTJZSA-N 478.334 2.616 50 1 JFGF C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1)c1ccc(O)cc1 618007899 MHRMNKODUVGGTG-JXFKEZNVSA-N 462.641 2.635 50 1 JFGF CN(C)CCNc1ccc(NCCN2CCC[C@@H]2CCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O 35304186 RQGGNBNYZNZVOQ-OAHLLOKOSA-N 487.000 2.962 50 1 JFGF CCN1CCN(CCCOc2ccc(N=c3c(C(=O)NN)c[nH]c4ccc(F)cc34)cc2)CC1 473150928 NMVMMUABJVCFAH-UHFFFAOYSA-N 466.561 2.549 50 1 JFGF CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O 85927487 ZQHNREXELVXBCG-SOORHWSISA-N 478.626 2.914 50 1 JFGF in-man N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53230526 PJSRJTNKLLUESB-ISKFKSNPSA-N 462.598 2.893 50 1 JFGF CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(C#N)=C(N)N2C1)c1ccccc1-c1nc2ccccc2nc13 1772616135 VUIISSUPVZMMGI-VWLOTQADSA-N 451.490 2.981 50 1 JFGF COc1cccc2nc([C@H](CCCNC(=N)CCl)NC(=O)c3cccc4c3C(=O)NC4)[nH]c12 1857647903 QHZVPTGFTICGGK-INIZCTEOSA-N 468.945 2.872 50 1 JFGF C[C@@H]1CC[C@H]2C(CN3CCN(CCO)CC3)=C(C(F)(F)F)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 23249281 UXOROFJDMQLTES-ZNWUBMMZSA-N 462.509 2.659 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@H]3O 257527428 QXPGYRDUXBYJHG-TVGMEAKJSA-N 450.915 2.888 50 1 JFGF endogenous,in-man CC(=O)N[C@@H](CSC(=S)NCCCCP(=O)(c1ccccc1)c1ccccc1)C(=O)O 1857767514 JCUQZFSWKXJOHG-FQEVSTJZSA-N 478.576 2.978 50 1 JFGF CS(=O)(=O)c1ccc(F)c([C@]2(CBr)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962898984 NLTKTYHTLGJSET-YJBOKZPZSA-N 460.296 2.606 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@]21C 253756281 PEEVINHNMCRBOC-HGBWQSTESA-N 454.922 2.870 50 1 JFGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 261075891 AWBHNFADBGSDNV-YKHRXLODSA-N 484.984 2.583 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccccc1)CCCC2 98082701 LAQNAQPCUPNAKU-HZPDHXFCSA-N 453.973 2.834 50 1 JFGF NNC(=O)COc1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1Br 587878670 OPWBBJGVHSEOGH-UHFFFAOYSA-N 485.165 2.835 50 1 JFGF O=C(N/N=C/N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1ccc(F)cc1 72118044 YQFPLRLPHPPJAT-CCVNUDIWSA-N 495.486 2.808 50 1 JFGF Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 169293447 GDYYNPPSNRQWIC-ANEDZVCMSA-N 470.161 2.711 50 1 JFGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@H]2c1ccc(F)c(B(O)O)c1F 963841234 KBBLSNTYIZPSPW-SPLOXXLWSA-N 461.270 2.679 50 1 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc2c(c1)OCO2 618016763 BANQUBMGNRCGMB-AEFFLSMTSA-N 467.657 2.644 50 1 JFGF CN1C(=O)N(Cc2ccc(F)cc2)C(=O)/C1=C/c1ccc(OCc2ccc(B(O)O)cc2)cc1 170143807 HKSLBTZOOODZEW-UCQKPKSFSA-N 460.270 2.520 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC2 98084447 BUQGEVDJDSIAAY-HOTGVXAUSA-N 498.970 2.742 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](C)(c1ccc(S(=O)(=O)N3CCN(C(=O)CCl)CC3)cc1)O2 587410661 VCTQWGLOTHMGTC-QHCPKHFHSA-N 491.997 2.530 50 1 JFGF Cc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccc(Cl)cc4)CC3)ccc2=O)cc1 43069273 BPCHKIUAHXSFKQ-UVHMKAGCSA-N 478.984 2.876 50 1 JFGF CN(CC(=O)NN)C(=O)Oc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 95566006 BDUZMGXARWAYLQ-UHFFFAOYSA-N 456.242 2.574 50 1 JFGF CC(=O)OC/C=C(\COC(C)=O)C[C@H](/C=C(\C)C[C@H](/C=C(\C)C=O)OC(C)=O)OC(C)=O 238736310 CPTQKVROSNDWKU-BJAQUTAWSA-N 452.500 2.774 50 1 JFGF O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CCN(C(=O)CCl)C1)OCc1ccccc1 621431677 WFXRPJJVXVITLH-KNQAVFIVSA-N 482.968 2.961 50 1 JFGF CN(CCO)CN1C(=O)/C(=N\NC(=O)c2ccccc2OCc2ccccc2)c2ccccc21 653726363 CITBMYPMZKQCNM-PNHLSOANSA-N 458.518 2.628 50 1 JFGF NC1=C(C=O)[C@]2(N[C@@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Br)ccc2O1 963239439 WUAANRIHSMVYEA-GCJKJVERSA-N 466.291 2.601 50 1 JFGF COc1ccc(/C=C/C(=O)/C(C#N)=C2\NN=C(N3CCOCC3)N2c2ccccc2)cc1OC 13119131 CWGJKVHLQPFUCS-CGBYIKAOSA-N 459.506 2.734 50 3 JFGF CC(C)(C)OC(=O)Nc1ccc([C@]2(CCl)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1 963224217 RQWGFDZJFNBLPI-LLJLJFOGSA-N 485.972 2.997 50 1 JFGF C[C@@]1(c2csc(B(O)O)c2)c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963019453 OVNAGMJZENNCST-YADARESESA-N 494.765 2.978 50 1 JFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@@H]2OC(=O)C(C)=CC 2356638270 XRPGSFNXFHPXAG-TWLPEACMSA-N 458.507 2.630 50 1 JFGF COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84668546 BNCBFGHVMPBYLK-INIZCTEOSA-N 455.521 2.761 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]21C 253635935 HOATYYUKSJYCLD-REBXCMMNSA-N 456.938 2.662 50 1 JFGF COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)N/N=C\c3ccccc3)cn(C3CC3)c12 1911572545 DPODHRWEIXURSX-MBTHVWNTSA-N 477.540 3.000 50 1 JFGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@@]2(O[C@@H]1O)[C@H](O)[C@H](Cl)C(=O)[C@H](Cl)[C@@H]2O 2356805000 VCUWTCWVACEZRD-GQVFZLPHSA-N 492.440 2.577 50 1 JFGF COc1ccc2cc(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)c(Cl)nc2c1 98082768 FVFVNFGRQBXRPQ-LSHDLFTRSA-N 458.883 2.566 50 1 JFGF CCO[C@@H]1C[C@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O 85927494 ZQHNREXELVXBCG-NLUNEDSYSA-N 478.626 2.914 50 1 JFGF in-man CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 299814255 UEJGAGUXDUNUSH-NWVJHUCGSA-N 462.571 2.664 50 1 JFGF COc1ccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c(OC)c1 618008161 SWZAYCQAUZCRHY-MRXNPFEDSA-N 455.646 2.615 50 1 JFGF N#CC1=C(N)NC(SCC(=O)c2cc3ccccc3oc2=O)=C(C#N)C1=C1C=CC(=O)C=C1 38167852 SKJSMBWHIZAMDF-UHFFFAOYSA-N 454.467 2.733 50 1 JFGF COC(=O)[C@@H]1CCCN1C(=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 504735826 YNHWFQPIXQFZGI-SOYZRRQQSA-N 495.569 2.682 50 1 JFGF biogenic CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C=C1C=O 2356756631 WUQTXLXCAOVKPK-NNIRLWGASA-N 464.599 2.524 50 1 JFGF O=C(NCCNc1ccnc2cc(Cl)ccc12)N/N=C/c1ccc(O)c(CN2CCOCC2)c1O 14980216 JMDNWWSALQMFAU-IPPBACCNSA-N 498.971 2.877 50 1 JFGF O=C(CN1[C@@H](Cl)CN=C(NCCc2ccccn2)[C@H]1O)NCc1csc2ccc(Cl)cc12 95920924 SOBGXPPOYFFGTK-DENIHFKCSA-N 492.432 2.996 50 1 JFGF in-vitro CN1C(=C(C#N)[C@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)N(C)c2ccccc21 962918454 ICHMDBQKGPSGDC-MHECFPHRSA-N 450.470 2.806 50 1 JFGF COc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C\c3ccc(O)c(OC)c3)c2)cc1 58984579 YNBCQMUJMVTKFX-UCQKPKSFSA-N 455.492 2.974 50 1 JFGF O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009771 QQIYXSQDGMFMHN-KXBFYZLASA-N 492.922 2.544 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@H](O)C[C@@]21C 118933307 HOATYYUKSJYCLD-YIOUGBBISA-N 456.938 2.662 50 1 JFGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238749563 FNANXLQPEYLHNF-ZOUPSRRLSA-N 460.523 2.758 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 299810164 LMYWXWRDKLXOIX-WJYBGPFMSA-N 450.959 2.592 50 1 JFGF Cc1c(C(=O)NN)cnn1-c1ccc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc1 587886739 XGEDBSWBHWFMLU-UHFFFAOYSA-N 456.333 2.801 50 1 JFGF CC(C)CN(NC(=O)c1ccc(N2CCN(C)CC2)cc1)c1nc(C#N)ncc1Br 58581059 IIGOFDWBLUHSTD-UHFFFAOYSA-N 472.391 2.670 50 1 JFGF O=C(CNc1cccc(OCCN2CCOCC2)c1)N/N=C/c1c(Cl)cncc1Cl 142167910 HCNKETQMJSMKQA-OPEKNORGSA-N 452.342 2.662 50 1 JFGF CC(C)(C)[Si](O[C@@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@H]1CO)(c1ccccc1)c1ccccc1 195772571 VCSVHBXJLMRITK-FSSWDIPSSA-N 489.652 2.634 50 1 JFGF Cc1cnc(N2CCOCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(C(F)(F)F)cc3)nn2)c1 299860589 JJIKXLFTARPVQN-KKMKTNMSSA-N 473.459 2.649 50 1 JFGF N#CC1=C(N)OC2=C(C1(C#N)C#N)[C@@]1(CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972351 IIMFLAJQDCFNQL-ASSNKEHSSA-N 457.824 2.608 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356427595 GHOJZPMHDHAHHX-CZYKHXBRSA-N 458.507 2.678 50 1 JFGF CC1(C)N=C(N)N=C(N)N1c1cccc(C[C@@H](CNC(=O)CBr)c2ccccc2)c1 13446224 VYEJEDAIGKQWHH-KRWDZBQOSA-N 471.403 2.710 50 1 JFGF Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2cccc(C(=O)O)c2)o1 15953299 NYEJLAPAHGAIEO-GATIEOLUSA-N 471.433 2.777 50 1 JFGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@@]21CCCc2ccc(B(O)O)cc21 963903656 CXNQUSQZHLAUMG-IBVKSMDESA-N 465.355 2.891 50 1 JFGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Br)C(=O)C(=O)[C@@H]2Br 587497857 MUKAPENKILPKEI-ULFGMLNVSA-N 470.113 2.517 50 1 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 618017087 FEURZHWQSIWFJE-CTNGQTDRSA-N 464.701 2.905 50 1 JFGF NC1=C(C=O)[C@@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Br)ccc2O1 963239444 WUAANRIHSMVYEA-PGRDOPGGSA-N 466.291 2.601 50 1 JFGF O=C(CI)N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 101506987 SOWVRVJXSQPXGW-UTDMZNMTSA-N 494.373 2.761 50 1 JFGF COC(=O)C(=O)[C@H](Cl)[C@]1(C2CC2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963160816 UIYBMRHMKGFJRT-DHLKQENFSA-N 486.952 2.939 50 1 JFGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587450983 WRGGDOWFDYGMSW-DJJJIMSYSA-N 468.325 2.810 50 1 JFGF Nc1ncnc2c1ncn2OCCOCP(=O)(OCC(Cl)Cl)OCC(Cl)Cl 43676801 AQHQXDAVEJARIF-UHFFFAOYSA-N 483.076 2.645 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 253645622 LMYWXWRDKLXOIX-NOKIPTNQSA-N 450.959 2.592 50 1 JFGF Cc1nc(Oc2ccc3c(c2)NC(N)=C(C#N)[C@@H]3c2ccccc2)cc(N2CCN(CCO)CC2)n1 1772647315 YDYYDXFIYQQALS-AREMUKBSSA-N 483.576 2.943 50 1 JFGF C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O 13468100 YAFUBSHQRSFEPZ-CAOSSQGBSA-N 460.618 2.856 50 1 JFGF C=CCn1c(COc2ccccc2)nnc1SCC(=O)NN/C=C1\C=C(Cl)C=CC1=O 13125968 KAXHHCVWUCOVNB-NTCAYCPXSA-N 457.943 2.902 50 3 JFGF COc1cc2c3c(c1)O[C@@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587449685 QXKSJJKOYPCXAB-JXFKEZNVSA-N 466.353 2.983 50 1 JFGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962926518 WXFBYOFOOUPQNE-ZSEKCTLFSA-N 452.866 2.944 50 1 JFGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1C[C@@]2(O[C@@H]1O)[C@H](O)[C@H](Cl)C(=O)[C@H](Cl)[C@H]2O 2356805007 VCUWTCWVACEZRD-UVQNSVQISA-N 492.440 2.577 50 1 JFGF COc1ccc(OC)c(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618007819 JNKJBRPTTZDCFD-INIZCTEOSA-N 455.646 2.615 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@@]1(C=CN2)C=C(Br)[C@@H](O)[C@@H](Br)C1 38659379 DZQOQPAJYGHLFD-HIIUDZQISA-N 465.145 2.721 50 1 JFGF COc1ccc(C2=C(SSC3=C(c4ccc(OC)cc4)N[C@@H](N)N3C)N(C)[C@@H](N)N2)cc1 2356825674 HTRQHNANXNITAS-SZPZYZBQSA-N 472.640 2.592 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 58504698 NLRHSCFIPPYFIR-SUKYPXEESA-N 495.410 2.748 50 1 JFGF Cc1ccccc1Nc1nc(NNC(=O)Cc2ccccc2)nc(NNC(=O)c2ccncc2)n1 1637775 FSIMDEDXNLOXOE-UHFFFAOYSA-N 469.509 2.761 50 1 JFGF CC1(C)CNC2=C([N+](=O)[O-])[C@@]3(C(C#N)=C(N)N2C1)c1ccccc1-c1nc2ccccc2nc13 1772616134 VUIISSUPVZMMGI-RUZDIDTESA-N 451.490 2.981 50 1 JFGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)CC(=O)Nc2ccc(Cl)cc2)ccc1OC(C)=O 101422888 DAYZCZUIGIJZDM-VQTJNVASSA-N 480.304 2.825 50 1 JFGF O=C(CCl)NCC(=O)Nc1ccccc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879591 VQFSQZXCTFBJKI-UHFFFAOYSA-N 466.752 2.997 50 1 JFGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1 618007802 IWSPZVHLRZTOLZ-MRXNPFEDSA-N 462.641 2.648 50 1 JFGF NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(N3CCN(c4ccc(F)cc4)CC3)cc2)cc1 1857774385 PUYHDJNAEYRJIC-WPWMEQJKSA-N 481.553 2.564 50 1 JFGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(Cc1ccccc1)C(=O)/C=C/S(C)(=O)=O 82157176 IMFCSKPPRJJVTD-HHNLSAEISA-N 467.588 2.544 50 1 JFGF CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@]2(O)CCl 100829698 HHVCVAIASNFMBE-BRKWEVRTSA-N 458.935 2.863 50 1 JFGF endogenous,in-man N[C@@H](Cc1c[nH]cn1)C(=O)NNC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43024715 SECDBSFAJPITKB-KOQPJMIYSA-N 458.566 2.757 50 1 JFGF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1ccccc1F)B(O)O 195468686 BDJLFTAHKWZOEX-VXKWHMMOSA-N 452.266 2.566 50 1 JFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)OCCCCOC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13676791 XZCRXYAWYHFXPO-BEQMOXJMSA-N 464.430 2.890 50 1 JFGF CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@]1(O)CCl)[C@H]32 2356419638 YWMLBMVBAIUMOC-WZIYXHIZSA-N 484.973 2.534 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356548782 FNANXLQPEYLHNF-JBOLQRTASA-N 460.523 2.758 50 1 JFGF CN(C(=O)CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)C1CCCCC1 169301559 YJMSSGMPNZCKDR-YIOMQEEZSA-N 476.209 2.555 50 1 JFGF COCOc1cc(O)c2c(c1)O[C@@]13C(=C[C@H]4C[C@H]1C(C)(C)O[C@@]3(C/C=C(\C)C=O)C4=O)C2=O 1857575530 XBFMDOMIARKAPM-ZJTHIKTQSA-N 454.475 2.917 50 1 JFGF O=C(C=C(O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 1857622970 GWQCVBGYWYPRMX-UHFFFAOYSA-N 450.878 2.892 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 587769589 OJBJVYGSFWCMQL-XUSGNXJCSA-N 460.351 2.783 50 1 JFGF Cc1nc(Oc2ccc3c(c2)OC(N)=C(C#N)[C@@H]3c2ccccc2)cc(N2CCN(CCO)CC2)n1 1772584474 PGDKHNYIZXQBPH-AREMUKBSSA-N 484.560 2.910 50 1 JFGF C/C(=N\NC(N)=O)[C@@H](CN1CCOCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5831941 GAKNCNGVZRTVCR-QOIHQXERSA-N 464.522 2.623 50 1 JFGF O=C(CCCCCCCCC(=O)NNC(=O)COc1ccccc1)NNC(=O)COc1ccccc1 43481878 PCQLCHOJTFKNTO-UHFFFAOYSA-N 498.580 2.560 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 195481809 JCEHMHPUDMTGQR-YNWMNUHISA-N 486.678 2.836 50 1 JFGF Nc1ncnc2c1c(C#CCOc1ccccc1)nn2[C@@H]1CCCN(C(=O)/C=C/CBr)C1 1857547686 LBSHASCUXNQZGS-DPTHPHEISA-N 495.381 2.954 50 1 JFGF CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)[C@@H]21 1911574120 KWTNLBMBJGHQDW-RUZDIDTESA-N 471.297 2.713 50 1 JFGF COc1ccc(F)cc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 618007821 JQCZELRFYNIKET-SFHVURJKSA-N 466.604 2.587 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2cnc[nH]2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 2356744864 MXXCSVDXYQVPQC-RHRVOKPRSA-N 477.558 2.600 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C 253635950 HOATYYUKSJYCLD-WPDIKKOOSA-N 456.938 2.662 50 1 JFGF CCCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O 587685790 RQPMDOYRMKSWMO-DYBLOJMWSA-N 459.747 2.859 50 1 JFGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@](CCl)(c2ccc(O)cc2)N1 963666105 JKQZESIVGHYYIZ-FXSPECFOSA-N 480.948 2.907 50 1 JFGF COc1ccc(C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc2cccnc2)c(C)c1 618007566 AIGQOJWBHQLYSD-FQEVSTJZSA-N 462.641 2.756 50 1 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccc(C)nc21 963167301 DVVCKGMHGXAWOI-DYESRHJHSA-N 495.889 2.618 50 1 JFGF COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)N/N=C\c3cccc(O)c3)cn(C3CC3)c12 1911584232 SZEPSVOCCPFUJD-MUXKCCDJSA-N 493.539 2.705 50 1 JFGF COc1ccccc1[C@@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 49052816 GAOGLHWDZOGBQJ-OAQYLSRUSA-N 450.520 2.647 50 1 JFGF CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618007865 LCVLZYSJYZRSNB-SFHVURJKSA-N 452.646 2.556 50 1 JFGF Cc1[nH]c2ccccc2c1CCNCc1ccc(/C=C/C(=O)NN(CCCO)CCCO)cc1 1857550767 GEJOKCSFRUWTPX-OUKQBFOZSA-N 464.610 2.920 50 1 JFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587683429 HAUXMRYEDYHXGK-NTCNTBNZSA-N 457.731 2.784 50 1 JFGF CCOC(=O)c1noc(C)c1[C@]1(CBr)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963234475 UUJJTZVCAULPDC-HRAATJIYSA-N 474.311 2.945 50 1 JFGF COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c(OC)c1 618008160 SWZAYCQAUZCRHY-INIZCTEOSA-N 455.646 2.615 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@@H]3O 38562749 QXPGYRDUXBYJHG-NDVLAHOZSA-N 450.915 2.888 50 1 JFGF endogenous,in-man CC(=O)Oc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1 618008280 WZTAXDOHYYTVJB-UHFFFAOYSA-N 453.630 2.523 50 1 JFGF CCOc1cc(C=O)c(Cl)cc1OCC(=O)N1CCc2ccccc2[C@@H]1c1ccc(B(O)O)cc1 962998210 SVXRNJHDHFIERP-SANMLTNESA-N 493.752 2.784 50 1 JFGF C[C@H](NC(=O)c1cccc(C(=O)CCl)c1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 27199978 PSDWZNYQODKDBT-UWJYYQICSA-N 469.969 2.576 50 1 JFGF O=C(Cn1nnc2ccccc2c1=O)N/N=c1/scc(-c2ccccc2)n1-c1ccccc1 103205519 XSOVBCFTQOJDDU-SOYKGTTHSA-N 454.515 2.943 50 1 JFGF C[C@]1(c2csc(B(O)O)c2)c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(=O)c1ccc(Cl)cc1 963019449 OVNAGMJZENNCST-DVECYGJZSA-N 494.765 2.978 50 1 JFGF O=C(c1ccc(SCc2ccccc2B(O)O)nc1)N(C[C@H]1CCCCN1)c1ccc(F)cc1 223494689 WXIUOEQGHCOEBN-OAQYLSRUSA-N 479.386 2.982 50 1 JFGF O=C(CI)N[C@@H]1CC[C@@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169368300 SOWVRVJXSQPXGW-BVLGWHTRSA-N 494.373 2.761 50 1 JFGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(OCc4ccccc4)ccc3B(O)O)N12 962650757 ZWCYODJCLSYHQF-LBNVMWSVSA-N 482.345 2.682 50 1 JFGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](O)C[C@@H]2Cl)[C@H]1O 2356566955 APNVVMOUATXTFG-SMUCVSNYSA-N 460.590 2.868 50 1 JFGF COCCOP(=O)(OCCOC)[C@@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F 103201062 XEPPUOCGJZWEPM-SOGDLCAJSA-N 461.452 2.516 50 1 JFGF CC(C)(C)OC(=O)N1CCC(OCC(F)(F)F)(c2nc3ccc(C(=O)NN)cc3[nH]2)CC1 587091396 JOZQKJDTYPRNKC-UHFFFAOYSA-N 457.453 2.972 50 1 JFGF COc1ccc(/C=C(\C#N)C(=O)NCCCCNC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1O 13676735 ZPZKMIJVPGOTQG-AYKLPDECSA-N 490.516 2.642 50 1 JFGF COc1cccc(OC)c1C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618007703 FMEUGWRWAQLLLN-INIZCTEOSA-N 455.646 2.615 50 1 JFGF CC[N+]1(C[C@]2(c3ccc(B(O)O)cc3Cl)c3ccsc3CCN2Cc2cccnc2)CC1 963000843 XMAXXKRMAJRSAE-DEOSSOPVSA-N 468.839 2.629 50 1 JFGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)cc1O 72107625 ZZRBRZXRMVGQOG-OIUDPUMTSA-N 470.898 2.923 50 1 JFGF CC(C)(C)[Si](O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO)(c1ccccc1)c1ccccc1 195496913 VCSVHBXJLMRITK-BHDDXSALSA-N 489.652 2.634 50 1 JFGF CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NN(CCc1ccccc1)C(=O)/C=C/S(C)(=O)=O 73199205 MLIJVAALBXRCTN-LLLGYDHXSA-N 481.615 2.587 50 1 JFGF CC(=O)OC[C@]12[C@H](OC(C)=O)C[C@H](C)[C@]3(C)C[C@H](C4=CC(=O)OC4)O[C@H](CC[C@@]1(O)CCl)[C@H]32 2356419637 YWMLBMVBAIUMOC-NYIZGGSLSA-N 484.973 2.534 50 1 JFGF COc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)Cc2cccc3c2CCCC3)c1 195469250 KMSCPRMYCLFTKK-DQEYMECFSA-N 480.414 2.907 50 1 JFGF COc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1-c1nc2ccc(C(=O)NN)cc2[nH]1 586956578 OMKPYDVAVBKBSM-UHFFFAOYSA-N 463.519 2.593 50 1 JFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587684263 KMVYMHGBLPGWPJ-CVJBHZAOSA-N 457.731 2.784 50 1 JFGF CCn1c(SCC(=O)N/N=C2\SCC(=O)N2c2ccc(C)cc2)nc2ccccc2c1=O 1652785 OMGWUXFTIKGWRY-LVWGJNHUSA-N 467.576 2.984 50 1 JFGF CCN(CC)c1ccc(-c2nn(C(=O)CCCCC(=O)NN)c(=O)c3ccccc23)c(O)c1 587667378 KTPCTNZUHPKPJF-UHFFFAOYSA-N 451.527 2.806 50 1 JFGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@](C)(CCl)OC(C)=O)CC(=C)[C@@H]1C[C@H](OC(C)=O)C(=C)[C@H]12 2356607790 QOFSCUKKFCFXNG-HHBFFKMWSA-N 466.914 2.641 50 1 JFGF Cc1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O 17376996 GDYYNPPSNRQWIC-XKQXWOLCSA-N 470.161 2.711 50 1 JFGF COc1cc(CC(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc(OC)c1OC 618008705 JTBRRZYTZXHZHH-UHFFFAOYSA-N 499.699 2.553 50 1 JFGF N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@@H]12 53293859 YMASSTCKBPATNH-DHIUTWEWSA-N 450.587 2.560 50 1 JFGF N=c1n(CC(=O)N/N=C/c2cccc(F)c2)c2ccccc2n1CC(=O)N/N=C/c1cccc(F)c1 101736560 AICIKZFBIIJUIO-HZUVFDMRSA-N 489.486 2.501 50 1 JFGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(-n3ccnn3)cc2)cc(OC)c1Br 84688339 RARAKXQOMNGHJI-AOOMUMSASA-N 474.315 2.885 50 1 JFGF NNC(=O)Cn1nc(C(F)F)c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)c1C1CC1 587892636 WMRPPKMDVYSAAX-UHFFFAOYSA-N 470.307 2.705 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@]12O)CC(C)(C)[C@H]3O 257527427 QXPGYRDUXBYJHG-RPDBUCECSA-N 450.915 2.888 50 1 JFGF endogenous,in-man COc1cc2c(cc1OC)[C@]1(C[C@H]2NC(=O)CCl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224708 MRPFAQBWDOPVTI-FHAGJXEFSA-N 481.936 2.894 50 1 JFGF COC(=O)NNC(=O)/C(=C/c1ccc(OC)c(OC(C)=O)c1)c1cc(OC)c(OC)c(OC)c1 49784105 NNQZDEXYFFGLMH-CXUHLZMHSA-N 474.466 2.574 50 1 JFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13676776 LLQAFRKQJAOAMO-CTCSNIDZSA-N 488.500 2.567 50 1 JFGF COc1ccc(Cl)c2c1CCN[C@@]21C=C(CO)OC2=C1OC(N)=C(C#N)[C@@H]2c1ccncc1 963257392 JMNYGULGXGDWEB-CYFREDJKSA-N 464.909 2.710 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356636457 IZFLOHYJKHANOO-NYIIQSBFSA-N 460.523 2.758 50 1 JFGF Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2ccc(C(=O)NN)cc2[nH]1 586948337 GXNOYIHCIHWSHK-UHFFFAOYSA-N 466.479 2.851 50 1 JFGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2B(O)O)N1C(=O)c1ccc(Cl)cc1 963016797 MPWYIKRDOJPKDY-GMAHTHKFSA-N 474.709 2.742 50 1 JFGF CCn1cc(C(=O)NCCCn2ccnc2)c(=O)c2cc(/C(C)=N/NC(=O)c3ccncc3)ccc21 1857614585 OFHWNFITTIXFOY-UXHLAJHPSA-N 485.548 2.587 50 1 JFGF COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@H]3NC(=O)N[C@H]23)(OC)OO1 43356536 JLIXHLXSEONGGM-YJBHNEINSA-N 499.605 2.920 50 1 JFGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@@]12C(=O)N(CCBr)c1ccccc12 98082236 RTBOOFIABTVQJS-QFIPXVFZSA-N 464.275 2.907 50 1 JFGF O=C(NC[C@H]1CN(c2cc(F)c([C@@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl 44032028 ARUMYESTOIUTQO-KOLCDFICSA-N 469.293 2.626 50 1 JFGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 84687703 GWKGFTXSGZHUJG-LCLGRWFKSA-N 474.315 2.885 50 1 JFGF CC(=O)O[C@@H]1C[C@@]2(C)C3=CC[C@](C)([C@@H](Br)CO)C[C@H]3[C@H](O)C[C@@H]2[C@@]2(CO)C[C@@H]12 238769619 NQFSWQKJYOCNSD-RFNSKGQRSA-N 457.405 2.806 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=CN2)C=C(Br)[C@@H](O)[C@@H](Br)C1 38659381 DZQOQPAJYGHLFD-FEMPBKKVSA-N 465.145 2.721 50 1 JFGF biogenic Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1 40975395 RLAGHEHNXGHJGK-XAOCGEIJSA-N 465.531 2.764 50 1 JFGF COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c(OC)c1 618007994 POSHRILQJUCYOS-UHFFFAOYSA-N 455.646 2.615 50 1 JFGF C/C(=N\NC(=O)C1=C(O)c2ccccc2S(=O)(=O)N1C)c1ccc(I)cc1 102845668 HZINJCLAMAYEPY-RGVLZGJSSA-N 497.314 2.692 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 618008185 UBAGHFAFSABHDS-QFBILLFUSA-N 496.724 2.787 50 1 JFGF COc1cc([C@@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(I)c1OC 38153955 UMQTUFAZYWEGBU-AWEZNQCLSA-N 464.263 2.691 50 1 JFGF O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccccc2)(c2ccc(B(O)O)cc2)N1 963172712 CRJZINNKZCATQI-UNMCSNQZSA-N 475.659 2.929 50 1 JFGF CN(C)CCNc1ccc(NCCN2CCC[C@H]2CCl)c2c1C(=O)c1c(O)ccc(O)c1C2=O 35304191 RQGGNBNYZNZVOQ-HNNXBMFYSA-N 487.000 2.962 50 1 JFGF COc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)cc1 43071290 HQCCTFBGHAANTJ-KKMKTNMSSA-N 494.983 2.577 50 1 JFGF COC(=O)[C@@H]1C(C(=O)OC(C)=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 44069647 KEWKKVWKQCMIRA-FGZHOGPDSA-N 484.457 2.849 50 1 JFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 13760525 LLQAFRKQJAOAMO-INVXFXMWSA-N 488.500 2.567 50 1 JFGF NNC(=O)c1cccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)c1 587885835 ULMDKKVDZBGYNC-UHFFFAOYSA-N 456.333 2.552 50 1 JFGF CCSc1ncccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1 618008256 WFFCQZMFNKQFMV-SFHVURJKSA-N 479.697 2.946 50 1 JFGF CC(C)C[C@H](NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)N(C)N(C)C#N 1857555034 MKAMNFYJFXAVNX-NRFANRHFSA-N 456.568 2.688 50 1 JFGF CCOc1ccc([C@@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(B(O)O)c1 963915400 MSTWMNKJPLXAIZ-UZUQRXQVSA-N 469.343 2.799 50 1 JFGF COc1cc([C@H]2C(C#N)=C(N)Oc3c2ccc(N)c3N)cc(I)c1OC 38153954 UMQTUFAZYWEGBU-CQSZACIVSA-N 464.263 2.691 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@@H]1c1cccc([N+](=O)[O-])c1)CCCC2 98084449 BUQGEVDJDSIAAY-CVEARBPZSA-N 498.970 2.742 50 1 JFGF N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53230529 PJSRJTNKLLUESB-LADGPHEKSA-N 462.598 2.893 50 1 JFGF NCCCC[C@H](NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)CCc1ccccc1)B(O)O 169998562 NGKBEHNBFCCOSR-VWLOTQADSA-N 493.457 2.586 50 1 JFGF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 587221833 QQAIKJARIHNKEC-WPRPVWTQSA-N 460.381 2.524 50 1 JFGF O=C1C(Br)=C(O)C(Br)=C/C1=C\NNC(=O)c1ccc2c(c1)OCCO2 15885130 FVCADURWLNTBTI-VQHVLOKHSA-N 472.089 2.602 50 3 JFGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618008867 MLBBZULGYXANLK-SFHVURJKSA-N 496.699 2.599 50 1 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 587769588 OJBJVYGSFWCMQL-QKVFXAPYSA-N 460.351 2.783 50 1 JFGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(F)c(B(O)O)c2)N1C(=O)c1ccc(Cl)cc1 963032730 XMWPYXRWJPQJLL-GMAHTHKFSA-N 492.699 2.881 50 1 JFGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1 95808169 CCLVMCCKRNBTIK-BUVRLJJBSA-N 462.487 2.761 50 1 JFGF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 587221832 QQAIKJARIHNKEC-WCBMZHEXSA-N 460.381 2.524 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccc(C)nc21 963167310 DVVCKGMHGXAWOI-UTKZUKDTSA-N 495.889 2.618 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 254216447 JCEHMHPUDMTGQR-XTWXUEHJSA-N 486.678 2.836 50 1 JFGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 618008186 UBAGHFAFSABHDS-VQIMIIECSA-N 496.724 2.787 50 1 JFGF Cc1c[nH]c2c(NC(N[C@H]3CCCCN(CC(=O)N4CCCC4)C3=O)=C(C#N)C#N)cccc12 40393520 SBTWKONSXZUAJH-NRFANRHFSA-N 459.554 2.740 50 1 JFGF Cc1ccc(S(=O)(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N[C@@H](CC(C)C)B(O)O)cc1 195098524 JBYKRRHJTWOIHX-ZEQRLZLVSA-N 482.411 2.581 50 1 JFGF CO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)C=C1C=O 2356756629 WUQTXLXCAOVKPK-BVUSYDEESA-N 464.599 2.524 50 1 JFGF O=C1COc2ccc([C@@]3(CBr)N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2N1 963237224 XAHCUESKBITMES-PGRDOPGGSA-N 468.307 2.803 50 1 JFGF N#CC1=C(NC(=O)CN2CCOCC2)Oc2c(c(=O)oc3ccccc23)[C@@H]1c1ccc(F)cc1 1772619948 QNPZOGDLOBRPCA-OAQYLSRUSA-N 461.449 2.640 50 1 JFGF N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)[C@]12C(=O)N(CCBr)c1ccccc12 98082235 RTBOOFIABTVQJS-JOCHJYFZSA-N 464.275 2.907 50 1 JFGF CC(C)(C)[Si](OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1F)(c1ccccc1)c1ccccc1 198165099 XHPAXDNHQFGCEQ-FUPPJEDESA-N 468.601 2.739 50 1 JFGF CC(C)(C)[Si](OC[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F)(c1ccccc1)c1ccccc1 170069434 XHPAXDNHQFGCEQ-QNWVGRARSA-N 468.601 2.739 50 1 JFGF COc1ccc(NC(=O)C(=O)O)cc1C(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21 26495561 IUBFLYLTDWVNAK-UHFFFAOYSA-N 475.457 2.902 50 1 JFGF Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@](=O)C[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 254081813 ZBQZGIZULLRIKY-URAKLDTCSA-N 476.619 2.562 50 1 JFGF COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@H]2CCCN2C(=O)N3c2ccccc2)cc1O 84710957 DYMRRWWQMMGZCG-IXBOPPFXSA-N 474.477 2.657 50 1 JFGF O=C1Nc2ccc([N+](=O)[O-])cc2/C1=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1 299869023 SZNUGWHESFDZOO-UHFFFAOYSA-N 474.389 2.842 50 1 JFGF CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)s1)c1nc(C#N)ncc1Br 34891733 RMGXSDPZZPNQBV-UHFFFAOYSA-N 492.447 2.727 50 1 JFGF O=C(Cn1nc(Cc2cccs2)n(/N=C/c2cccs2)c1=O)N/N=C/c1cccs1 299826972 FOPRUVVVBGIMMY-HGEIODPWSA-N 456.578 2.853 50 1 JFGF COc1ccc2c3c1O[C@@H]1C(OC)(OC)[C@H](I)C=C4[C@H](C2)N(C)CC[C@@]431 6010284 CFQVRXZCCTVTIK-ARKSPBFVSA-N 469.319 2.687 50 1 JFGF O=C(CN1[C@@H](O)C(NCCc2ccccn2)=NC[C@H]1Cl)NCc1csc2ccc(Cl)cc12 53683847 SOBGXPPOYFFGTK-UGKGYDQZSA-N 492.432 2.996 50 1 JFGF in-vivo CN(C(=O)CN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 169689913 YJMSSGMPNZCKDR-AJVCXXKOSA-N 476.209 2.555 50 1 JFGF COc1cc([C@@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1O 55805350 ALBSKLLRYKMYMT-QFIPXVFZSA-N 452.536 2.773 50 1 JFGF C[C@H]1CC[C@H]([C@H](NC(=O)c2cccc(-n3ccnc3)c2)C(=O)N2C[C@H](Cl)[C@H]3OCC(=O)[C@H]32)CC1 100630460 AWBHNFADBGSDNV-ALFLKXBZSA-N 484.984 2.583 50 1 JFGF CC(C)[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 504744066 FSIOKLOIJYBYHX-STAGEFGQSA-N 483.558 2.743 50 1 JFGF biogenic COc1cc(/C=N\NC(=O)c2ccc(C(=O)N/N=C/c3ccc(O)c(OC)c3)cc2)ccc1O 45022556 VNAFOTHAZIKKNM-KGRJIBJCSA-N 462.462 2.643 50 1 JFGF O=C(N/N=C/c1ccc([N+](=O)[O-])o1)C12CC3CC(C1)CC(C(=O)N/N=C/c1ccc([N+](=O)[O-])o1)(C3)C2 653889595 QBJYYULRQFPSRI-HIWNQQMRSA-N 498.452 2.876 50 1 JFGF CC(C)(NC(=O)OCc1ccccc1)c1nc(C(=O)N/N=C/c2ccc(F)cc2)c(O)c(=O)[nH]1 95563482 CXBGPFDBGGRELL-BRJLIKDPSA-N 467.457 2.540 50 1 JFGF CC(C)C[C@H](NC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccc2ccccc2c1)B(O)O 195423631 OIKWTOBQARIBBG-VXKWHMMOSA-N 499.417 2.672 50 1 JFGF COC(=O)[C@@H]1C(C=O)=Cc2c(cc3c(c2OC)OCO3)[C@H]1c1cc(OC)c(OC)c(OC)c1 28228589 BJLOLDZHLUBSFR-WOJBJXKFSA-N 456.447 2.967 50 1 JFGF COc1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1OC 618007870 LOROBCIQQJONEU-UHFFFAOYSA-N 455.646 2.615 50 1 JFGF CC1(C)N=C(N)N=C(N)N1c1cccc(OCCOc2ccccc2NC(=O)CBr)c1 13446233 KEHDAODBIKCRFF-UHFFFAOYSA-N 489.374 2.663 50 1 JFGF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 587221830 QQAIKJARIHNKEC-PSASIEDQSA-N 460.381 2.524 50 1 JFGF OB(O)c1cccc(CCN2CCN(c3nc(O)c(Cc4ccc(Cl)c(Cl)c4)s3)CC2)c1 1772611893 ALEYRKKETTZIRR-UHFFFAOYSA-N 492.237 2.791 50 1 JFGF O=C1C=C/C(=C\NNC(=O)[C@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)C(O)=C1 13110808 HHYHCXHHEUAMJK-DOIQENQNSA-N 494.529 2.712 50 3 JFGF CN(C)CCNc1ccc(NCCN2CCC[C@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O 40766908 ZTFOMGXCSKQYAT-HNNXBMFYSA-N 487.000 2.962 50 1 JFGF CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl 14827101 HHVCVAIASNFMBE-XGARDCMYSA-N 458.935 2.863 50 1 JFGF in-man CN1CCN(Cc2ccc(C(=O)NN(c3nc(C#N)ncc3Br)C3CCCC3)cc2)CC1 58576060 BWMLNSQFLSCDFW-UHFFFAOYSA-N 498.429 2.952 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 587408644 HHJUJYCFMHJFJW-OAQYLSRUSA-N 495.395 2.854 50 1 JFGF CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2C1=C[C@@H](OC(=O)CC(C)C)[C@@]2(O)CCl 14827098 HHVCVAIASNFMBE-GFRNBQLOSA-N 458.935 2.863 50 1 JFGF in-man CCOC(=O)Nc1cc(NC(=O)OCC)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 169320183 VYSWXDVCUFYJRV-GDNBJRDFSA-N 461.427 2.994 50 1 JFGF O=C(N/N=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccc(N2C(=O)c3ccccc3C2=O)cc1 1857765970 XEEHQQOXCAFVQG-AFUMVMLFSA-N 453.414 2.540 50 1 JFGF O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@H](Cl)C(=O)N2c1nc2ccccc2s1 6009774 QQIYXSQDGMFMHN-DNVCBOLYSA-N 492.922 2.544 50 1 JFGF O=C(NN=CC[C@H]1[C@@H](O)C[C@@H](O[C@@H]2CCCCO2)[C@@H]1CO[C@H]1CCCCO1)c1ccncc1 1857594425 QSENQGAVKZPPFT-IROFBDHCSA-N 461.559 2.639 50 1 JFGF CN(C)CCNc1ccc(NCCN2CC[C@@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O 40568071 RMOFXQSTELYLBE-CQSZACIVSA-N 472.973 2.572 50 1 JFGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 100954147 WAMHVIYVLSKJQR-WOVMCDHWSA-N 472.592 2.842 50 1 JFGF NNC(=O)c1ccc2nc([C@@H](N)Cc3cc(Br)c(O)c(Br)c3)[nH]c2c1 586976811 BYVRJNVKSIAPET-NSHDSACASA-N 469.137 2.640 50 1 JFGF COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1OC 618008132 SABRELUMEJALML-KRWDZBQOSA-N 455.646 2.615 50 1 JFGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](O)C[C@@H]2Cl)[C@@H]1O 2356566953 APNVVMOUATXTFG-COJLZTODSA-N 460.590 2.868 50 1 JFGF CC(=O)OCC=C(COC(C)=O)C[C@@H](C=C(C)C[C@@H](C=C(C)C=O)OC(C)=O)OC(C)=O 2356432507 CPTQKVROSNDWKU-XZOQPEGZSA-N 452.500 2.774 50 1 JFGF CN1C(=O)[C@]23SS[C@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O 101549923 MRBZKCMQZBKXMZ-HMKLVTIHSA-N 464.572 2.688 50 1 JFGF CCCCCOc1ccc(/C=N\NC(=O)c2nnn(-c3nonc3N)c2CN2CCCCCC2)cc1 33446041 UATPLBTXNAFDAL-QQXSKIMKSA-N 495.588 2.941 50 1 JFGF C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1)c1ccc(O)cc1 618007694 FEAAIUOFLHUKKG-UZLBHIALSA-N 462.641 2.635 50 1 JFGF CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@@]1(c1c[nH]c2ccccc12)[C@@H]3O 85802121 MRBZKCMQZBKXMZ-PHXJMUFTSA-N 464.572 2.688 50 1 JFGF COC(=O)/C(C#N)=C(\Nc1ccc2oc(C)cc2c1)N[C@@H]1CCCCN(CC(=O)N2CCCC2)C1=O 95560669 PIVFNDQNSMRTNC-KWLPWJRRSA-N 493.564 2.654 50 1 JFGF COc1ccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c(OC)c1OC 618008477 HHVRMQKJTSZQDT-INIZCTEOSA-N 485.672 2.624 50 1 JFGF CC(C)(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F)(c1ccccc1)c1ccccc1 170069440 XHPAXDNHQFGCEQ-FUDKSRODSA-N 468.601 2.739 50 1 JFGF CC1=CC2=C(C=O)[C@@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 587838261 NBRZHMPPKURZDM-HNIVHCEQSA-N 450.304 2.757 50 1 JFGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(N3CCOCC3)nc2)cc(OC)c1Br 84725268 UUZPOFPCYPGMBO-VWXZLZIGSA-N 493.358 2.536 50 1 JFGF C/C(=N\NC(N)=O)[C@H](CN1CCOCC1)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 5831947 GAKNCNGVZRTVCR-OJMQPCNXSA-N 464.522 2.623 50 1 JFGF O=C(C(C1=[N+](Cc2ccc(Cl)nc2)CCN1Cc1ccc(Cl)nc1)=[N+]([O-])O)C(Cl)Cl 169691110 XXBXLJSUWGQGLF-UHFFFAOYSA-N 492.170 2.924 50 1 JFGF CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@]1(O)CCl 2356715757 QJRWKLJFMYNELF-XYEHWOGUSA-N 458.935 2.863 50 1 JFGF CCCCN(CCCC)c1ccc(-c2nn(C(=O)C(=O)NN)c(=O)c3ccccc23)c(O)c1 587660203 AARSHCNKBHMXQW-UHFFFAOYSA-N 451.527 2.806 50 1 JFGF CCCCCCCCc1ccnc(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 253702043 MULOKPFUKRZOJM-KYCGFCALSA-N 489.078 2.881 50 1 JFGF CN1C(=C(C#N)[C@@]2(CCC(=O)O)N[C@H](C(=O)O)Cc3cc(F)ccc32)N(C)c2ccccc21 962918463 ICHMDBQKGPSGDC-UUOWRZLLSA-N 450.470 2.806 50 1 JFGF NS(=O)(=O)c1ccc(N/N=C/c2cc(C(=O)N/N=C/c3cccc(O)c3)c3ccccc3n2)cc1 95552022 QDQSDXWMWPIXCH-CIOBDNPFSA-N 488.529 2.798 50 1 JFGF O=C(Cn1nc(N2CCN(c3ccc(Cl)cc3)CC2)ccc1=O)N/N=C/Cc1ccccc1 43063327 XLPFZMYUKVWTAF-LGJNPRDNSA-N 464.957 2.568 50 1 JFGF N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@H](N3CCCC3)[C@@H]12 53293865 YMASSTCKBPATNH-XZOQPEGZSA-N 450.587 2.560 50 1 JFGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587683473 HGCPEVACBZVZLW-YBTHPKLGSA-N 487.801 2.703 50 1 JFGF C=C(C=O)[C@H]1C[C@H](OC(C)=O)C2=C[C@@H](C[C@]3(C)O[C@H]3c3cc(C)c(o3)[C@@H]1OC(C)=O)OC2=O 36412406 OJDIVOGKMKPKSF-SQDRVSCESA-N 458.463 2.971 50 1 JFGF Nc1nonc1-n1nnc(-c2ccccc2)c1C(=O)N/N=C\c1ccc(F)c(Br)c1 64251870 QHZGUTDUDHGLAQ-AFPJDJCSSA-N 471.250 2.565 50 1 JFGF CCC[C@@H](Br)C(=O)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F 40861453 TXJKFGQBHALJIU-OAHLLOKOSA-N 469.290 2.850 50 1 JFGF CC/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O 261149863 OPNNGPMDAVGREY-RELWKKBWSA-N 451.932 2.611 50 1 JFGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2ccccc2C(=O)[C@H]1C(=O)c1ccco1 587537783 KBNWBLDSFOMNCZ-UVFQYZLESA-N 465.252 2.592 50 1 JFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@@H]1CO1)[C@H]2OC(=O)C(C)=CC 2356638267 XRPGSFNXFHPXAG-GHOFJMRBSA-N 458.507 2.630 50 1 JFGF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B(O)O)cc5)cc34)[C@H]21 1911578796 NGNSKEVQDRSHEX-VWLOTQADSA-N 497.316 2.710 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671495 SIXOYZGWCSBEGU-UPCKUEGWSA-N 467.129 2.817 50 1 JFGF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)[C@@H]21 1911571156 SOJXENMCINZIBC-RUZDIDTESA-N 453.307 2.574 50 1 JFGF CCOC(=O)/C(C#N)=C(/NNC(=O)c1cc(OC)c(OC)c(OC)c1)N[C@H](C)c1ccccc1 103296103 PPIFSUXPNNTMQY-JOJWKMGHSA-N 468.510 2.596 50 1 JFGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587684081 KGMFLNMGUNMIDN-GIPWTMENSA-N 487.801 2.703 50 1 JFGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nn1 962966801 AFNYQTVITIPYJE-APPDUMDISA-N 475.677 2.604 50 1 JFGF C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4)cn1c23 103288553 SLTKPBIMQLHAHH-WMMPRDMWSA-N 463.513 2.610 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670194 ISAOZVCUNLUEAY-LFZOIZTFSA-N 467.129 2.817 50 1 JFGF CC(C)(C)NC(=O)[C@@H]1C[C@H](Cl)CN1C(=O)[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC1CCCC1 14944475 LGLCCOWOCHPYKA-VMXMFDLUSA-N 494.032 2.750 50 1 JFGF COC(=O)/C(C#N)=C(\Nc1ccc2oc(C)cc2c1)N[C@H]1CCCCN(CC(=O)N2CCCC2)C1=O 101588779 PIVFNDQNSMRTNC-VLBGROSNSA-N 493.564 2.654 50 1 JFGF CC1(C)N=C(N)N=C(N)N1c1ccc(SSc2ccc(N3C(N)=NC(N)=NC3(C)C)cc2)cc1 29464144 GDSPAZHCQGFNMN-UHFFFAOYSA-N 496.670 2.857 50 1 JFGF CC[C@@]1(c2ccc(B(O)O)cc2)c2c(C)cccc2C[C@H](CC(=O)O)N1C(=O)OC(C)(C)C 963903574 AYFBEAHZDVIUQI-CJFMBICVSA-N 453.344 2.965 50 1 JFGF CC1CCN(Cc2c(C(=O)N/N=C\c3ccc(C(C)(C)C)cc3)nnn2-c2nonc2N)CC1 33351738 FVYRESBJFDVTOG-MXAYSNPKSA-N 465.562 2.526 50 1 JFGF O=C(Nc1ccc(B(O)O)cc1)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 170143771 XAMLTKWGOQOZOL-BKUYFWCQSA-N 476.294 2.994 50 1 JFGF CN(C)C(=O)c1ccc2c(c1)[C@@](CBr)(CS(=O)(=O)c1ccccc1)NCC2 962922680 GJENXBQPZSTICQ-HXUWFJFHSA-N 451.386 2.598 50 1 JFGF COc1cc([C@H]2C(C#N)=C(N)[N+](c3ccc(S(N)(=O)=O)cc3)=C3CCCC[C-]32)ccc1O 55805349 ALBSKLLRYKMYMT-JOCHJYFZSA-N 452.536 2.773 50 1 JFGF O=C1C([N+](=O)[O-])=CC(Cl)=C/C1=C\NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1 13122213 DSMQTNHQHYLUSG-ZHACJKMWSA-N 480.911 2.533 50 3 JFGF COc1c(Br)cc([C@H]2NC3(CC3)Cc3ccc(Br)cc32)cc1B(O)O 961614903 NXJIKYIZGAXWAU-MRXNPFEDSA-N 466.966 2.668 50 1 JFGF N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217316 AZJPCHQYUUSJBB-WPRPVWTQSA-N 460.381 2.524 50 1 JFGF COC(=O)C1=CN(c2ccc(N3CCOCC3)cc2)C(N)=C(C#N)[C@@H]1c1cccc(OC)c1OC 95604004 DFBXRANNWRIBIF-QHCPKHFHSA-N 476.533 2.895 50 3 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCCCOCC(F)(F)F 618017106 FQBBSTWCQDJXMZ-CABCVRRESA-N 459.600 2.642 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]([C@H](Cl)CCNC(=N)N)NC2=O)cc1Br 2356448002 MAFCLHRCIOQMGL-YGRLFVJLSA-N 496.587 2.514 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NC[C@@H]2CCCO2)O[C@@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@]42OO3 504673172 FGAZIYTVJQSGPZ-MCRDCHTFSA-N 467.559 2.813 50 1 JFGF biogenic Cc1cn([C@H]2C[C@@H](N3C(=O)c4ccccc4C3=O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 195492507 QYHXNTRPDUICKI-GUDVDZBRSA-N 485.613 2.819 50 1 JFGF COC(=O)[C@@H]1CCCN1C(=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 504735824 YNHWFQPIXQFZGI-HGQBZRAOSA-N 495.569 2.682 50 1 JFGF biogenic O=C(O)[C@@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@@](c2ccccc2)(c2ccc(B(O)O)cc2)N1 963172710 CRJZINNKZCATQI-RBBKRZOGSA-N 475.659 2.929 50 1 JFGF O=C(CN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2 1772625530 VOWGULMGFQLWBG-XHURPTSCSA-N 472.457 2.861 50 1 JFGF O=C1COc2ccc([C@]3(CBr)N[C@@H](C(=O)O)Cc4c3cnc3ccccc43)cc2N1 963237220 XAHCUESKBITMES-GCJKJVERSA-N 468.307 2.803 50 1 JFGF CN1C(=O)[C@@]23C[C@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@H]4N2C(=O)[C@@]1(CO)SS3 2356470340 XHPIWHHLWCZQEF-OUFMZXHOSA-N 464.572 2.690 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 587410081 QCQAFMWCMPQOJZ-GOSISDBHSA-N 455.330 2.910 50 1 JFGF O=C(CI)N[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 169368301 SOWVRVJXSQPXGW-HJBSZYCQSA-N 494.373 2.761 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356636456 IZFLOHYJKHANOO-IOWAXREISA-N 460.523 2.758 50 1 JFGF Cc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NNc2ccccc2)C(=O)NNc2ccccc2)cc1 31871072 WUSZCROEPZAEDE-QFIPXVFZSA-N 481.578 2.709 50 1 JFGF CN(C)CCNc1ccc(NCCN2CCC[C@@H](Cl)C2)c2c1C(=O)c1c(O)ccc(O)c1C2=O 40766909 ZTFOMGXCSKQYAT-OAHLLOKOSA-N 487.000 2.962 50 1 JFGF OCc1nc(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)c(O)c(CO)c1CO 96908089 BUXMQBQGMKHJMJ-UHFFFAOYSA-O 460.490 2.758 50 1 JFGF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1ccc(F)cc1)B(O)O 195463338 MSZCTFVKIPBFCM-VXKWHMMOSA-N 452.266 2.566 50 1 JFGF CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@H]3[C@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 299814256 UEJGAGUXDUNUSH-YNDXHGMBSA-N 462.571 2.664 50 1 JFGF CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@]1(O)CCl 2356715758 QJRWKLJFMYNELF-YCZSINBZSA-N 458.935 2.863 50 1 JFGF CCOC(=O)/C(C#N)=C\c1ccc(N(CCC(=O)O)CCC(=O)O)c(I)c1 5734128 RFYOFBUDCPMYBQ-LCYFTJDESA-N 486.262 2.517 50 1 JFGF O=C1S[C@@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)[C@H](O)N1Cc1ccc(F)cc1 170143794 MWFUPJUSLRPAFM-GOTSBHOMSA-N 467.327 2.683 50 1 JFGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)[C@@H](C2)C3=O 587451321 WRGGDOWFDYGMSW-ORAYPTAESA-N 468.325 2.810 50 1 JFGF COc1c(Br)cc(C=C2O[C@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br 2356448000 MAFCLHRCIOQMGL-IINYFYTJSA-N 496.587 2.514 50 1 JFGF COc1ccc(NC(=S)NNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 95593777 NNXVBGKISKCHFU-UHFFFAOYSA-N 489.557 2.508 50 1 JFGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@H]1c1ccc([N+](=O)[O-])cc1 103202371 MVLSCVVCMPERLY-KRWDZBQOSA-N 453.846 2.698 50 1 JFGF O=C(O)COc1ccccc1/C=N\NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 33414521 HHNUMUJCNMAZHW-MTJSOVHGSA-N 459.505 2.776 50 1 JFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@H]2OC(=O)C(C)=CC 2356638268 XRPGSFNXFHPXAG-KBTKJMIMSA-N 458.507 2.630 50 1 JFGF C[C@@H](N)[P@](=O)(O)O[C@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO[Si](C)(C)C(C)(C)C 195188190 MVOITUILPRJUDV-IGQOVBAYSA-N 472.559 2.593 50 1 JFGF CS(=O)(=O)CCOP(=O)(N(CCCl)CCCl)N(CCCl)CCCl 43362153 VFROCESLFKFCKZ-UHFFFAOYSA-N 452.168 2.715 50 1 JFGF N[C@H]1CC[C@H](NC(=O)C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 101951925 BFLBLMRNDASXFV-HUBQGJLESA-N 461.603 2.506 50 1 JFGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)[C@](C)(CCl)OC(C)=O)CC(=C)[C@@H]1C[C@@H](OC(C)=O)C(=C)[C@H]12 2356607791 QOFSCUKKFCFXNG-KBKLKGRVSA-N 466.914 2.641 50 1 JFGF COc1cc(OC)cc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618007842 KNCADKZXKWWGEL-INIZCTEOSA-N 455.646 2.615 50 1 JFGF CN(C(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br)C1CCCCC1 33353656 YJMSSGMPNZCKDR-LTWQBYIYSA-N 476.209 2.555 50 1 JFGF CS(=O)(=O)NCc1cccc(-c2ccc(C(=O)NNC(=O)C(=O)c3c[nH]c4ccccc34)cc2)c1 72173591 ADJYHJJYEAWQAG-UHFFFAOYSA-N 490.541 2.528 50 1 JFGF CC(C)(C)OC(=O)Nc1ccc([C@@]2(CCl)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1 963224234 RQWGFDZJFNBLPI-XFAGBWLFSA-N 485.972 2.997 50 1 JFGF COc1ccc2c3c1O[C@H]1C(OC)(OC)[C@H](I)C=C4[C@H](C2)N(C)CC[C@@]431 254074504 CFQVRXZCCTVTIK-LLBUTXAOSA-N 469.319 2.687 50 1 JFGF CCCCCCCCc1ccnc(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 169370067 MULOKPFUKRZOJM-SXCPMGDBSA-N 489.078 2.881 50 1 JFGF O=C(N/N=C/c1ccc(F)cc1)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 1857617361 JFAFONNAGRXZOF-XODNFHPESA-N 451.477 2.788 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 31904864 BDRBXJGFHDFRJV-CMURFVSUSA-N 477.193 2.662 50 1 JFGF Cc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4cccc(Cl)c4)CC3)ccc2=O)cc1 43061291 FLWDCRNIQHEYOP-KKMKTNMSSA-N 478.984 2.876 50 1 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)OCCO2 618018355 ZFIBOHDZFLPHRD-AEFFLSMTSA-N 467.657 2.644 50 1 JFGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1ccc2c(c1)OCO2 618017234 HXKDEDPCOOSUIX-WBVHZDCISA-N 453.630 2.602 50 1 JFGF COc1cc(C(=O)NNC(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc3c2)cc(OC)c1OC 66097918 XMVBJCIIUNWYEF-UHFFFAOYSA-N 481.421 2.832 50 1 JFGF COC(=O)CC[C@@]1(CBr)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963150737 SCIGNNMOYFMMOK-PIGZYNQJSA-N 463.350 2.933 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2cnc[nH]2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 2356744865 MXXCSVDXYQVPQC-RSFJKROQSA-N 477.558 2.600 50 1 JFGF COCc1c(Br)c(C)nc(OCC(=O)NN/C=C2\C=Nc3ccccc32)c1C#N 89455411 ILWNCKSFTJLGFL-UKTHLTGXSA-N 456.300 2.927 50 1 JFGF COc1cc2c3c(c1)O[C@](CBr)(c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H](C2)C3=O 587449693 QXKSJJKOYPCXAB-OXJNMPFZSA-N 466.353 2.983 50 1 JFGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)cc1O 72107626 ZZRBRZXRMVGQOG-QDVZYSMTSA-N 470.898 2.923 50 1 JFGF C[C@H](NC(=O)c1ccc(C(=O)CCl)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 27202840 JMSIDIBLEMYITM-UWJYYQICSA-N 469.969 2.576 50 1 JFGF O=C(O)COc1ccccc1/C=N\NC(=O)c1ccccc1NS(=O)(=O)c1cccs1 33409870 AIZRYXXDMOIQJU-MTJSOVHGSA-N 459.505 2.776 50 1 JFGF CC1(C)[C@H]([C@@H](O)C(=O)OO)[C@]2(C)C(=O)[C@@H](CC3=C4CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]32)[C@H]1O 103290667 ROKYXBSEDRVXDG-NOBXIWRESA-N 488.533 2.970 50 1 JFGF O=C(NN=CC[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1CO[C@H]1CCCCO1)c1ccncc1 1857594427 QSENQGAVKZPPFT-PZORDLPLSA-N 461.559 2.639 50 1 JFGF O=C(CNC(=O)OCc1ccccc1)N[C@@H](Cc1ccccc1)C(=O)N(CCCl)CCCl 27630915 NBKLOSPRHVINTB-FQEVSTJZSA-N 480.392 2.947 50 1 JFGF O=C1S[C@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)[C@@H](O)N1Cc1ccc(F)cc1 170143791 MWFUPJUSLRPAFM-DHIUTWEWSA-N 467.327 2.683 50 1 JFGF CC(C)(C)[Si](O[C@H]1C[C@@H](n2cnc3c(N)ncnc32)O[C@@H]1CO)(c1ccccc1)c1ccccc1 195496905 VCSVHBXJLMRITK-BDTNDASRSA-N 489.652 2.634 50 1 JFGF COc1ccc(C/C=N/NC(=O)Cn2nc(N3CCN(c4ccc(Cl)cc4)CC3)ccc2=O)cc1 43023072 FRRBCKPBTGTMLT-UVHMKAGCSA-N 494.983 2.577 50 1 JFGF Cn1cnnc1SCC(=O)N/N=c1/scc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 103238688 BGMPCSYSZVDVTH-HIXSDJFHSA-N 467.536 2.967 50 1 JFGF COc1cc2c(cc1OC)[C@H](c1cc(C)cc(B(O)O)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808606 SHQYDPHUMNVPOK-SANMLTNESA-N 498.344 2.530 50 1 JFGF N[C@@H](CCCCN[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O 27764426 KIWHVNIJSWCIGA-CAMPQQCRSA-N 475.266 2.764 50 1 JFGF CCCn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O 587685807 RQPMDOYRMKSWMO-YYSFKGJASA-N 459.747 2.859 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 253756277 PEEVINHNMCRBOC-ARHMFPRFSA-N 454.922 2.870 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)[C@@H](C)CC)[C@@H]12 2356548780 FNANXLQPEYLHNF-CTVTVNPXSA-N 460.523 2.758 50 1 JFGF N[C@H](CCCCN[P@@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O 27764433 KIWHVNIJSWCIGA-JYCIKRDWSA-N 475.266 2.764 50 1 JFGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(F)c(B(O)O)c2)N1C(=O)c1ccc(Cl)cc1 963032724 XMWPYXRWJPQJLL-GGAORHGYSA-N 492.699 2.881 50 1 JFGF C[C@H]1CCC[C@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@H](C(=O)O)CCC[C@H]1C 13468094 YAFUBSHQRSFEPZ-SYMSYNOKSA-N 460.618 2.856 50 1 JFGF COc1ccc(-n2cc(CN3C(=O)[C@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 169310544 XTVAIKMJNCUARL-MHZLTWQESA-N 494.511 2.792 50 1 JFGF COc1cccc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1OC 618007836 KEYLXDJGYOAICM-INIZCTEOSA-N 455.646 2.615 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(Br)o2)C1 618008603 ICGMTFCEIVWGOQ-ZDUSSCGKSA-N 464.451 2.954 50 1 JFGF CC(C)(C)[Si](OC[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1F)(c1ccccc1)c1ccccc1 203761084 XHPAXDNHQFGCEQ-GIWBLDEGSA-N 468.601 2.739 50 1 JFGF CC1=CC2=C(C=O)[C@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 587837625 JLFLZRUSBHJDKW-HNIVHCEQSA-N 450.304 2.757 50 1 JFGF CCO[C@H]1C[C@@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 14948787 ZQHNREXELVXBCG-URPFZOLISA-N 478.626 2.914 50 1 JFGF endogenous,in-man Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccc(N)cc3)c1)OCO2 40878523 OYTAKORHZHHYIS-MSXFZWOLSA-N 453.476 2.838 50 1 JFGF O=C(CI)N[C@@H]1CC[C@H]2[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 58520525 SOWVRVJXSQPXGW-UWQYNENASA-N 494.373 2.761 50 1 JFGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(NS(C)(=O)=O)sc3c2CCCC3)cc1 98084695 XZTJIWVMNJOROG-IAGOWNOFSA-N 483.999 2.843 50 1 JFGF Cc1nc(Oc2ccc3c(c2)NC(N)=C(C#N)[C@H]3c2ccccc2)cc(N2CCN(CCO)CC2)n1 1772647316 YDYYDXFIYQQALS-SANMLTNESA-N 483.576 2.943 50 1 JFGF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1-c1nc(C(=O)NN)c(Cl)c(N)c1Cl 587868026 ICOLXFIJXFMGIR-UHFFFAOYSA-N 462.219 2.849 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccccc1)CCCC2 98082700 LAQNAQPCUPNAKU-HOTGVXAUSA-N 453.973 2.834 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCC[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 504506659 FGGBGVLIXGEXDO-HECMSIMHSA-N 481.542 2.593 50 1 JFGF biogenic COc1cc2c(cc1OC)[C@]1(C[C@H]2NC(=O)CCl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224705 MRPFAQBWDOPVTI-DFIYOIEZSA-N 481.936 2.894 50 1 JFGF NC1=C(C=O)[C@]2(N[C@H](C(=O)O)Cc3c2cnc2ccccc32)c2cc(Br)ccc2O1 963239434 WUAANRIHSMVYEA-AVRDEDQJSA-N 466.291 2.601 50 1 JFGF Cc1cccc(C)c1NC(=O)CCCC(=O)C1/C(=N/NC(=O)CC#N)CCC/C1=N\NC(=O)CC#N 17191896 SPVDQSRMLAUIMX-ZZASANORSA-N 491.552 2.553 50 1 JFGF CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)N/N=C/c2ccccc2)cc1 40395516 AVOYFOLDDOKRRD-VAHWYXDJSA-N 464.547 2.685 50 1 JFGF Cc1nnc2n(c1=O)N=C(c1ccccc1)[C@]2(C#N)P(=O)(c1ccccc1)c1ccccc1 49679660 OVIRFJJZPAYZHX-VWLOTQADSA-N 451.426 2.946 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@H](OC(=O)C(C)=CC)[C@H]12 2356636458 IZFLOHYJKHANOO-OLIYTMFESA-N 460.523 2.758 50 1 JFGF CO[C@@H]1C[C@]2(C=C(Br)C(=O)[C@@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 2356813267 CFBTYLSRRNPCCC-ZDCWMAILSA-N 495.171 2.778 50 1 JFGF N#CCC(=O)N/N=C(\C(=O)Nc1ccc(Cl)c(Cl)c1)[C@H]1CN(c2ccccc2)N=C1N 5891364 ODAKOHDSCHJOCV-FDRNWSQYSA-N 458.309 2.726 50 1 JFGF COC(=O)CC[C@@]1(CBr)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963150732 SCIGNNMOYFMMOK-APPDUMDISA-N 463.350 2.933 50 1 JFGF N[C@H]1CC[C@H](NC(=O)C(=O)NCC2CCC3(CC2)OOC2(O3)C3CC4CC(C3)CC2C4)CC1 299811107 BFLBLMRNDASXFV-NMNSZXLWSA-N 461.603 2.506 50 1 JFGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587683469 HGCPEVACBZVZLW-GIPWTMENSA-N 487.801 2.703 50 1 JFGF O=C(CCCc1nc2ccccc2s1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1 22785599 MMHYBBODOYNNQN-UHFFFAOYSA-N 465.623 2.974 50 3 JFGF Cc1cc2c(cc1F)[C@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)NCC2 962301565 SEGBWHXAPMUQQV-NRFANRHFSA-N 483.403 2.939 50 1 JFGF N#CC1=C(N)OC2=C(C1(C#N)C#N)[C@]1(CCC2)N[C@@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972356 IIMFLAJQDCFNQL-LRTDBIEQSA-N 457.824 2.608 50 1 JFGF COc1c(N(CCc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)c(=O)c1=O 169326136 BBEYQLYLJSZOEE-NRFANRHFSA-N 493.560 2.713 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2cnc[nH]2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 2356744866 MXXCSVDXYQVPQC-WVNIHAATSA-N 477.558 2.600 50 1 JFGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(F)c(B(O)O)c2)N1C(=O)c1ccc(Cl)cc1 963032733 XMWPYXRWJPQJLL-JTHBVZDNSA-N 492.699 2.881 50 1 JFGF COC1=COC(C=O)=C[C@@]12c1[nH]c3ccccc3c1C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C 963072403 ZRRWCINZVAERSX-MHPIHPPYSA-N 484.505 2.961 50 1 JFGF C#CCOC(=O)C[C@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC(=O)CCl)c3)cc21 95561129 RGCFUVMOPOIJOC-HXUWFJFHSA-N 492.915 2.920 50 1 JFGF Oc1ccc2c3c1O[C@H]1[C@H](I)CC[C@@]4(O)[C@H](C2)N(CC2CC2)CC[C@]314 100640269 XEXVJJBUTPOPFH-BWFCJQBJSA-N 453.320 2.760 50 1 JFGF NNC(=O)c1ccc(Cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cn2)cc1 587885445 IYXUAIZPDILALY-UHFFFAOYSA-N 456.333 2.552 50 1 JFGF COc1ccc(OC)c(CC(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618008147 SJDOWXHIUHNTGU-QGZVFWFLSA-N 469.673 2.544 50 1 JFGF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238778525 IZFLOHYJKHANOO-KYSFCEJFSA-N 460.523 2.758 50 1 JFGF COc1c(Br)cc(/C=C2\O[C@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br 114630097 MAFCLHRCIOQMGL-NYGGMECTSA-N 496.587 2.514 50 1 JFGF CC1=CC2=C(C=O)[C@@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 587838259 NBRZHMPPKURZDM-BBOCTJLQSA-N 450.304 2.757 50 1 JFGF CC(=O)OCOC(=O)c1ccc(C(=O)N/N=C/c2ccc(O)c(O)c2O)cc1-n1c(C)ccc1C 1857591216 CRGNFDVQPRUTLD-OPEKNORGSA-N 481.461 2.652 50 1 JFGF COc1c[c-](/C=N/NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1=O 169689092 KMDKLDWPIWNPJI-PBWVZGNXSA-N 496.500 2.607 50 1 JFGF COc1cc(/C=C(\C#N)C(=O)N/N=C(\C)c2c(O)c3ccc(O)cc3oc2=O)cc(OC)c1OC 1857563998 WWRYHAKMRDRLGE-IPQQDZDRSA-N 479.445 2.677 50 1 JFGF COc1ccc([C@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1OC 103211039 LDIXCIGVLCLPHI-KRWDZBQOSA-N 485.547 2.769 50 1 JFGF O=C1S[C@@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 195246990 KLJGQHDPLGRYKK-QFIPXVFZSA-N 465.311 2.891 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356548781 FNANXLQPEYLHNF-IKIRDJBUSA-N 460.523 2.758 50 1 JFGF NNC(=O)c1ccn(COc2ccc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)cc2)n1 587885789 DSWHUCABZHPKGS-UHFFFAOYSA-N 472.332 2.540 50 1 JFGF COc1c(Br)cc(/C=C2\O[C@@H]3[C@H](Cl)C[C@H](NC(=N)N)N3C2=O)cc1Br 238771939 MDIOHWBFIARCJI-RUWSLESLSA-N 494.571 2.566 50 1 JFGF CC(=O)Nc1ccc([C@@]2(CBr)N[C@@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nn1 962966804 AFNYQTVITIPYJE-PIGZYNQJSA-N 475.677 2.604 50 1 JFGF CC(C)C[C@@H](NC(=O)c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)N(C)N(C)C#N 1857593652 XHBRHGRXSUUCGR-OAQYLSRUSA-N 456.568 2.688 50 1 JFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)c1 95808793 NFBTXSPQGKLOFQ-ZVHZXABRSA-N 462.487 2.761 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 98084705 UDRIVXFOONJEJW-JKSUJKDBSA-N 498.970 2.742 50 1 JFGF CC(C)Cn1c(N)c([C@@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587684083 KGMFLNMGUNMIDN-YBTHPKLGSA-N 487.801 2.703 50 1 JFGF CCCC[C@]1(c2cc(B(O)O)ccc2F)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703653 MLVYCHSTVZFECT-QUCCMNQESA-N 457.204 2.696 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]3[C@H](Cl)C[C@@H](NC(=N)N)N3C2=O)cc1Br 2356415484 MDIOHWBFIARCJI-OLUVUFQESA-N 494.571 2.566 50 1 JFGF O=C1COc2ccc([C@]3(CBr)N[C@H](C(=O)O)Cc4c3cnc3ccccc43)cc2N1 963237217 XAHCUESKBITMES-AVRDEDQJSA-N 468.307 2.803 50 1 JFGF COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@](=O)(F)OC)nn3)cc2c1 49762156 AMRPBXMDSXZMHW-WJOKGBTCSA-N 452.379 2.912 50 1 JFGF COc1ccc2c(c1)/C(=N/NC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N2 299860337 GMWSFVZYZXAXFI-UHFFFAOYSA-N 459.418 2.942 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NCCc2cnc[nH]2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 2356744863 MXXCSVDXYQVPQC-DYLLQWIPSA-N 477.558 2.600 50 1 JFGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1OC 103211042 LDIXCIGVLCLPHI-QGZVFWFLSA-N 485.547 2.769 50 1 JFGF O=C(N/N=C/[c-]1cc(Cl)cc([N+](=O)[O-])c1=O)c1ccccc1NS(=O)(=O)c1cccs1 169688924 SKLQYMTZSQAABF-KEBDBYFISA-N 479.903 2.954 50 1 JFGF N#CC1=C(CC(=O)NCc2ncccc2-n2cncn2)N(O)/C(=N/CC(F)(F)c2ccccn2)CC1 169721819 YCPGYJHJDCHJTB-NJZRLIGZSA-N 493.478 2.517 50 1 JFGF CC(=O)OC[C@@]12[C@@H](OC(C)=O)C[C@@H](C)[C@]3(C[C@@H](c4ccoc4)OC3=O)[C@H]1CCC(=O)[C@]2(O)CCl 31458931 HGRPKRPLVRKNRF-QSQWZJICSA-N 496.940 2.724 50 1 JFGF COC(=O)C[C@@H]1CC[C@@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 169346257 JLIXHLXSEONGGM-MPDWFXIRSA-N 499.605 2.920 50 1 JFGF CC(=O)N[C@H]1CC[C@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 102157184 IPEDCYCWNUCXRU-BETUJISGSA-N 453.341 2.804 50 1 JFGF C[C@H]1O[C@@H](C=C=CBr)C[C@@H]2O[C@@H](C[C@@H](Br)[C@@H](O)C[C@@H]2Cl)[C@@H]1O 238740648 APNVVMOUATXTFG-BIXRBUQMSA-N 460.590 2.868 50 1 JFGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2ncccc2Br)CC1 618008120 AUWCJTWVOPLSEE-UHFFFAOYSA-N 475.478 2.756 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1cccc(S(=O)(=O)N3CCOCC3)c1)O2 587408642 HHJUJYCFMHJFJW-NRFANRHFSA-N 495.395 2.854 50 1 JFGF COc1ccc(CC(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)cc1OC 618008361 YWJUWBCJPBISTL-GOSISDBHSA-N 469.673 2.544 50 1 JFGF C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618009423 XUZBZJLNXFTZLI-ICSRJNTNSA-N 496.699 2.599 50 1 JFGF COC(=O)CC[C@]1(CBr)c2scnc2C[C@@H](C(=O)O)N1C(=O)OC(C)(C)C 963150735 SCIGNNMOYFMMOK-GTNSWQLSSA-N 463.350 2.933 50 1 JFGF Cc1onc(-c2ccccc2)c1[C@]1(CBr)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963198953 BKMRSGGXHFVADM-HKARXFIJSA-N 496.365 2.770 50 1 JFGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cc3ccccc3oc2=O)CC1 618008383 ZHNDKGMUDGSINX-UHFFFAOYSA-N 463.625 2.704 50 1 JFGF CCn1cc(C(=O)N/N=C2\C(=O)N(CN3CCCCC3)c3ccccc32)c(=O)c2ccc(C)nc21 64417178 BSUJFFJDDTVXIJ-SLMZUGIISA-N 472.549 2.649 50 1 JFGF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587683428 HAUXMRYEDYHXGK-DCXZOGHSSA-N 457.731 2.784 50 1 JFGF CCN1C(NNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)=NS(=O)(=O)c2ccccc21 28951359 LZNIIQUXHBJHGW-UHFFFAOYSA-N 455.452 2.674 50 1 JFGF CC(C)(C)[Si](O[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@H]1CO)(c1ccccc1)c1ccccc1 254201687 VCSVHBXJLMRITK-BHIFYINESA-N 489.652 2.634 50 1 JFGF COc1cc(C(=O)N/N=C/c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)cc(OC)c1OC 473106888 YSISUMOUWLHAGL-DHRITJCHSA-N 483.481 2.968 50 1 JFGF CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2C1=C[C@H](OC(=O)CC(C)C)[C@@]2(O)CCl 85979762 HHVCVAIASNFMBE-MQGJPIDWSA-N 458.935 2.863 50 1 JFGF in-man CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@@H]3c3cccc(F)c3B(O)O)nc(Cl)nc21 963927507 ASLZSWHAGIZCBI-FQEVSTJZSA-N 481.724 2.737 50 1 JFGF COC1=COC(C=O)=C[C@]12c1[nH]c3ccccc3c1C[C@@H]([C@@H](O)CC(=O)O)N2C(=O)OC(C)(C)C 963072408 ZRRWCINZVAERSX-XHNVNVPESA-N 484.505 2.961 50 1 JFGF COc1ccc(Cl)c2c1CCN[C@]21C=C(CO)OC2=C1OC(N)=C(C#N)[C@@H]2c1ccncc1 963257395 JMNYGULGXGDWEB-YADARESESA-N 464.909 2.710 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 195481805 JCEHMHPUDMTGQR-FIRQYLKGSA-N 486.678 2.836 50 1 JFGF Cc1c(C(=O)N/N=C/c2c[nH]nc2-c2cccc([N+](=O)[O-])c2)nnn1-c1ccc([N+](=O)[O-])cc1 1857656894 ZZXIBCKRRZINDL-SSDVNMTOSA-N 461.398 2.546 50 1 JFGF O=C(Cn1nc(N2CCN(c3cccc(Cl)c3)CC2)ccc1=O)N/N=C/Cc1ccccc1 43014689 QPEQXOKTVWPFMO-RPPGKUMJSA-N 464.957 2.568 50 1 JFGF COc1c(C)c2c(c(O)c1C/C=C(/C)CCc1nc3ccc(C(=O)NN)cc3[nH]1)C(=O)OC2 586915784 RLWAYVLJTPAWFH-QCDXTXTGSA-N 450.495 2.981 50 1 JFGF O=C(NCCSSCCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N\O 222445643 GNHRRDAGELSCIC-GAHATOAQSA-N 474.608 2.746 50 1 JFGF C[C@@H]1Cc2cc([C@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc2N1S(C)(=O)=O 962909452 XJAVXUUIPHOZDM-CNBXIYLPSA-N 452.935 2.618 50 1 JFGF CCn1cc(C(=O)N/N=C2\C(=O)N(C)c3ccc(Br)cc32)c(=O)c2ccc(C)nc21 64415745 GHUWFMUOXHJIDC-ULJHMMPZSA-N 468.311 2.598 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 195481813 JCEHMHPUDMTGQR-RIJBGEBISA-N 486.678 2.836 50 1 JFGF CN1C(=O)[C@@]23C[C@@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@H]4N2C(=O)[C@@]1(CO)SS3 2356470338 XHPIWHHLWCZQEF-FDTGPBLFSA-N 464.572 2.690 50 1 JFGF COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCC[P@@](=O)(F)OC)nn3)cc2c1 49762158 AMRPBXMDSXZMHW-HKBQPEDESA-N 452.379 2.912 50 1 JFGF CO[C@]12O[C@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 195411121 UEJGAGUXDUNUSH-IRNKEPLNSA-N 462.571 2.664 50 1 JFGF CCCCCCCCc1ccnc(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 253702037 MULOKPFUKRZOJM-IFLORIKCSA-N 489.078 2.881 50 1 JFGF NC(=O)N/N=C/c1ccc(O)c(CN2CCN(c3ccnc4cc(Cl)ccc34)CC2)c1O 14980204 UYVBLRHPOKUXKQ-RPPGKUMJSA-N 454.918 2.624 50 1 JFGF NNC(=O)c1ccc2nc([C@@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587107546 LCWPZOATDAZOOS-HNNXBMFYSA-N 453.446 2.711 50 1 JFGF Cc1c(C(=O)N/N=C/c2c[nH]nc2-c2ccc([N+](=O)[O-])cc2)nnn1-c1ccc([N+](=O)[O-])cc1 1857655020 ZMBLVNCSGSJKCU-SSDVNMTOSA-N 461.398 2.546 50 1 JFGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2ccc(Cl)cc2)CC1)c1cccs1 253670363 ZRNZYLSFKFGAJU-HDJSIYSDSA-N 455.989 2.947 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 299815103 BDRBXJGFHDFRJV-NXBFSHDWSA-N 477.193 2.662 50 1 JFGF CCOC(NNC(N)=O)=C(C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 2356870368 XQMJFRCSZLZNIM-YAUBAPCASA-N 453.580 2.842 50 1 JFGF COc1ccc(Cl)c2c1CCN[C@@]21C=C(CO)OC2=C1OC(N)=C(C#N)[C@H]2c1ccncc1 963257393 JMNYGULGXGDWEB-DVECYGJZSA-N 464.909 2.710 50 1 JFGF O=C(NNS(=O)(=O)c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)cc1 1857653789 RVIAPGHADRYILD-UHFFFAOYSA-N 497.957 2.581 50 1 JFGF N#CC1=C(NCC(=O)N2CCCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53230528 PJSRJTNKLLUESB-VWNXMTODSA-N 462.598 2.893 50 1 JFGF CC(=O)OCC=C(COC(C)=O)C[C@@H](C=C(C)C[C@H](C=C(C)C=O)OC(C)=O)OC(C)=O 2356432504 CPTQKVROSNDWKU-DHIUTWEWSA-N 452.500 2.774 50 1 JFGF O=C(NC[C@H]1CN(c2cc(F)c([C@H]3C=CS(=O)(=O)CC3)c(F)c2)C(=O)O1)C(Cl)Cl 44032026 ARUMYESTOIUTQO-ONGXEEELSA-N 469.293 2.626 50 1 JFGF O=C(/C=C(/O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 102851747 GWQCVBGYWYPRMX-HMMYKYKNSA-N 450.878 2.892 50 3 JFGF N[C@@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587217315 AZJPCHQYUUSJBB-WCBMZHEXSA-N 460.381 2.524 50 1 JFGF CCOC(=O)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H](Cl)c1cccc([N+](=O)[O-])c1 4293533 CHOGJAUVSNSFCX-HZPDHXFCSA-N 457.848 2.693 50 1 JFGF biogenic COc1ccc(F)cc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1 618007563 AEOJPRSUPGNORU-SFHVURJKSA-N 466.604 2.587 50 1 JFGF COc1ccc(C(=O)OCCc2cn(CCCSSCCN(C)C)nn2)cc1[N+](=O)[O-] 618009996 MZKZVTTVEXWLGL-UHFFFAOYSA-N 469.589 2.928 50 1 JFGF CCCn1c(N)c([C@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O 587686624 WECOZZGZHVXUNA-DYBLOJMWSA-N 459.747 2.859 50 1 JFGF Cc1cc2c(cc1S(=O)(=O)Oc1cccc(C(=O)N/N=C\c3ccc(C(=O)O)cc3)c1)OCO2 40860777 YWDHHRGTUSDHGL-MSXFZWOLSA-N 482.470 2.954 50 1 JFGF COc1cc2c3c(c1)O[C@@](CI)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587430140 YQIASOIDHGCCGF-BTYIYWSLSA-N 489.265 2.913 50 1 JFGF NNC(=O)COc1ccc(Br)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878408 BTHNKXSKSICYER-UHFFFAOYSA-N 485.165 2.835 50 1 JFGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@H]1c1cccc([N+](=O)[O-])c1 55805347 KXAQAFOAFFHHJQ-OAQYLSRUSA-N 451.508 2.967 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NC[C@@H]2CCCO2)O[C@H]2O[C@@]3(C)CC[C@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504673171 FGAZIYTVJQSGPZ-KUAZKVQZSA-N 467.559 2.813 50 1 JFGF biogenic CCOC(=O)C(C#N)=C(NS(=O)(=O)c1cc(C)c(Cl)cc1S)[n+]1ccc(N(C)C)cc1 1663279 PINKWUFMNCPFPQ-UHFFFAOYSA-O 482.007 2.524 50 1 JFGF O=C(CNC(=O)c1cccnc1)N/N=C/c1ccc(OCc2cc3c(cc2Cl)OCO3)cc1 1857550184 UMZTUSNHIQMIDC-YPXUMCKCSA-N 466.881 2.923 50 1 JFGF CC1=CC2=C(C=O)[C@@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 587837624 JLFLZRUSBHJDKW-FVCKSQQHSA-N 450.304 2.757 50 1 JFGF O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2B(O)O)N1C(=O)c1ccc(Cl)cc1 963016799 MPWYIKRDOJPKDY-JTHBVZDNSA-N 474.709 2.742 50 1 JFGF N#CC1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cccc([N+](=O)[O-])c1 49113455 BQNVHVYILKPWTQ-FQEVSTJZSA-N 465.491 2.547 50 1 JFGF N#CC1=C(NCN2CCOCC2)N(c2ccccc2)C(=O)N2CCCC[C@@H](N3CCCC3)[C@H]12 53293862 YMASSTCKBPATNH-PKTZIBPZSA-N 450.587 2.560 50 1 JFGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(OCc4ccccc4)ccc3B(O)O)N12 962650758 ZWCYODJCLSYHQF-LEAFIULHSA-N 482.345 2.682 50 1 JFGF COc1cc2c(cc1OC)[C@@](CC(C)C)(c1cccc(B(O)O)c1)N(C(=O)c1ccccc1N)CC2 963157274 JZTPYBGCDGQACI-MUUNZHRXSA-N 488.393 2.954 50 1 JFGF CN1C(=O)[C@]23SS[C@@]1(C)C(=O)N2[C@H]1Nc2ccccc2[C@]1(c1c[nH]c2ccccc12)[C@@H]3O 95562577 MRBZKCMQZBKXMZ-MHYJACLRSA-N 464.572 2.688 50 1 JFGF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1cccc(F)c1)B(O)O 195462194 XBZMMABJPOWCBV-VXKWHMMOSA-N 452.266 2.566 50 1 JFGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(Cl)c1)N[C@@H](Cc1ccccc1)B(O)O 195469139 GQMQQCWRGUQWGB-YADHBBJMSA-N 450.731 2.941 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]3[C@@H](Cl)C[C@@H](NC(=N)N)N3C2=O)cc1Br 2356415483 MDIOHWBFIARCJI-NURSFMCSSA-N 494.571 2.566 50 1 JFGF COc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccc3c2CCCC3)cc1 195275047 MSSZNBZSOLDJMO-RPWUZVMVSA-N 466.387 2.978 50 1 JFGF C[C@@H]1CN(C(=O)c2cc(Cl)c(O)c(Cl)c2)C[C@@H](C(=O)NCCSSCCN(C)C)O1 618017606 UBKJSVOFTJOLDQ-WBMJQRKESA-N 496.482 2.988 50 1 JFGF CN(NC(=O)CC(=O)NN(C)C(=S)c1cc(F)ccc1F)C(=S)c1cc(F)ccc1F 34312016 MFHKBJCEVXZROX-UHFFFAOYSA-N 472.489 2.610 50 1 JFGF NNC(=O)c1ccc2nc([C@H]3CCCN3S(=O)(=O)c3ccccc3C(F)(F)F)[nH]c2c1 587107554 LCWPZOATDAZOOS-OAHLLOKOSA-N 453.446 2.711 50 1 JFGF CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 257793292 ZQHNREXELVXBCG-CQDZWIPHSA-N 478.626 2.914 50 1 JFGF endogenous,in-man COc1ccccc1N1CCN(Cc2cn(CCCSSCCN(C)C)nn2)CC1 618009720 HANQLEQLHJXFJQ-UHFFFAOYSA-N 450.678 2.942 50 1 JFGF O=C(N/N=C/c1c(-c2ccccc2)no[n+]1[O-])c1ccccc1N1C(=O)c2ccccc2C1=O 1857653274 MVMCHBLHOFQAOR-AFUMVMLFSA-N 453.414 2.540 50 1 JFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 6007120 WDXFBHIKHUGEOU-AYKLPDECSA-N 490.516 2.816 50 1 JFGF N#CC1=C(N)OC2=C(C1(C#N)C#N)[C@@]1(CCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972364 IIMFLAJQDCFNQL-ZSEKCTLFSA-N 457.824 2.608 50 1 JFGF Cc1cc(N2C[C@@H](C(=O)N/N=C/c3ccc(Cl)cc3)CC2=O)c(Cl)c(C)c1S(N)(=O)=O 1857612340 QNNLWBCXVKKVRW-GNIOVPSRSA-N 483.377 2.761 50 1 JFGF Cc1ccc(S(=O)(=O)C[C@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962908275 UZWUHAIHQSVKTC-HKUYNNGSSA-N 456.333 2.797 50 1 JFGF O=C1C=C/C(=C\NNC(=O)[C@@H](CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)C(O)=C1 13110807 HHYHCXHHEUAMJK-DILWRCETSA-N 494.529 2.712 50 3 JFGF CC(C)Cn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(=O)n(C)c1=O 587684082 KGMFLNMGUNMIDN-PRWKNARSSA-N 487.801 2.703 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)CCCC2 98084448 BUQGEVDJDSIAAY-HZPDHXFCSA-N 498.970 2.742 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)[C@H](C)CC)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356636455 IZFLOHYJKHANOO-DKGSKVKPSA-N 460.523 2.758 50 1 JFGF CC(=O)O[C@H]1C=C2C(COC(=O)CC(C)C)=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 238772256 QJRWKLJFMYNELF-KVJIRVJXSA-N 458.935 2.863 50 1 JFGF Cc1[nH]c(C(=O)Nc2ccc(C(=O)N[C@@H](C)C(=O)NN)cc2OC(C)C)c(Cl)c1Cl 1857631181 LKANJKYGMUDVFZ-JTQLQIEISA-N 456.330 2.778 50 1 JFGF N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587217313 AZJPCHQYUUSJBB-PSASIEDQSA-N 460.381 2.524 50 1 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccc(C)nc21 963167307 DVVCKGMHGXAWOI-LAUBAEHRSA-N 495.889 2.618 50 1 JFGF N[C@H](CCCCN[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O 27764445 KIWHVNIJSWCIGA-MUWSIPGASA-N 475.266 2.764 50 1 JFGF O=c1ccn(CCCCCCO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]1 170079162 ZJOGFOJOQLUFHW-UHFFFAOYSA-N 470.645 2.781 50 1 JFGF COc1ccc(C2=C(SSC3=C(c4ccc(OC)cc4)N[C@H](N)N3C)N(C)[C@@H](N)N2)cc1 2356825675 HTRQHNANXNITAS-VXKWHMMOSA-N 472.640 2.592 50 1 JFGF COc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)Cc2cccc3c2CCCC3)c1 195469246 KMSCPRMYCLFTKK-RPBOFIJWSA-N 480.414 2.907 50 1 JFGF C[C@@H]1O[C@H](C=C=CBr)C[C@H]2O[C@@H](C[C@H](Br)[C@H](O)C[C@H]2Cl)[C@@H]1O 2356566954 APNVVMOUATXTFG-NOSVAZHHSA-N 460.590 2.868 50 1 JFGF Cc1ccc(S(=O)(=O)C[C@@]2(CBr)N[C@H](C(=O)O)Cc3cc(F)ccc32)cc1 962908276 UZWUHAIHQSVKTC-PKOBYXMFSA-N 456.333 2.797 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 58634868 NLRHSCFIPPYFIR-XGBFOWPJSA-N 495.410 2.748 50 1 JFGF COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@H]3NC(=O)N[C@@H]23)(OC)OO1 253636319 JLIXHLXSEONGGM-RHOLRMCJSA-N 499.605 2.920 50 1 JFGF CCOc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cc(C(=O)NN)cc1OC 587877470 MBWBZZGUOFKRJZ-UHFFFAOYSA-N 450.322 2.715 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@H](C(=O)O)Cc3cc(C(F)(F)F)c(Cl)cc32)c2ccc(C)nc21 963167311 DVVCKGMHGXAWOI-UWJYYQICSA-N 495.889 2.618 50 1 JFGF O=C1S[C@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 195247002 KLJGQHDPLGRYKK-JOCHJYFZSA-N 465.311 2.891 50 1 JFGF CCOC(=O)c1c(NC(=O)CCl)oc(C)c1[C@@]1(C)N[C@H](C(=O)O)Cc2cccc(F)c21 962926512 WXFBYOFOOUPQNE-YEJXKQKISA-N 452.866 2.944 50 1 JFGF COc1ccc2nc(COc3ccc(C[C@H](SSC[C@H](N)C(=O)O)C(=O)O)cc3)n(C)c2c1 299853972 SCMSCMPJBXGKLP-LPHOPBHVSA-N 491.591 2.950 50 1 JFGF CCOC(=O)NC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 103185313 OUSIUGDOMMNLFS-UHFFFAOYSA-N 456.553 2.678 50 1 JFGF COc1ccc(-n2cc(CN3C(=O)[C@@]4(C(C#N)=C(N)OC5=C4C(=O)CCC5)c4ccccc43)nn2)cc1 169310543 XTVAIKMJNCUARL-HHHXNRCGSA-N 494.511 2.792 50 1 JFGF COc1cc(OC)cc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618007843 KNCADKZXKWWGEL-MRXNPFEDSA-N 455.646 2.615 50 1 JFGF O=C(Nc1ccc([C@]2(CCl)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1)c1ccccc1 963209327 WABRTLVTOFMJOY-ISJBWFOZSA-N 489.963 2.902 50 1 JFGF O=C(NNC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c2cccc3cccnc23)CC1)c1cccs1 253712571 WAMHVIYVLSKJQR-JCNLHEQBSA-N 472.592 2.842 50 1 JFGF O=C1c2ccccc2[C@@]2(c3ccc(CCl)cc31)c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963199573 CEPRYERDTRTFKA-ISJBWFOZSA-N 472.932 2.743 50 1 JFGF COc1cc2c(cc1Br)NC(=O)/C2=N\NC(=O)c1cc(OC)c(OC)c(OC)c1 43023887 UIOUYKHCVLTSMU-UHFFFAOYSA-N 464.272 2.570 50 1 JFGF Cc1[nH]c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C\c1ccc(C(=O)O)cc1 61695551 CZZOVTKKHKQHJV-RSKRUZOQSA-N 475.461 2.556 50 1 JFGF CO[C@@H]1C[C@@]2(C=C(Br)[C@@H](O)[C@@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 85666449 HGBOLPCPHSFANM-WPTVWNQNSA-N 497.187 2.569 50 1 JFGF COc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(=O)NNC(=O)c4cc(N)cc(N)c4)cccc2-3)cc1 14945673 KBQFJASPKOEHLK-UHFFFAOYSA-N 483.488 2.928 50 1 JFGF CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)B(O)O)cc1 1857540445 IDMLBBZTOALOPY-LQGLAIQGSA-N 482.430 2.965 50 1 JFGF C[C@@H](O)c1ccc([C@@H](O)/C(=N\NC(=O)c2ccncc2)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1 17968404 NZNXPOJRMIXBIR-XAALYLKDSA-N 488.460 2.560 50 1 JFGF COC(=O)C[C@@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 58492044 JLIXHLXSEONGGM-DXFYQYRISA-N 499.605 2.920 50 1 JFGF CCOC(=O)COC(=O)[C@@H]1C(C=O)=Cc2cc3c(cc2[C@H]1c1cc(OC)c(OC)c(OC)c1)OCO3 45289247 UIABOOFALPOLSV-DNQXCXABSA-N 498.484 2.891 50 1 JFGF CCCCCN1C(=O)/C(=N\NC(=O)CN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccc(OC)cc21 72123481 WRUTZJFKXVMOAV-QQTULTPQSA-N 495.496 2.633 50 1 JFGF CC(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(/C=C(\C#N)C(=O)N4CCOCC4)cc3)nc12 148932998 AHZXVGZMZKUECM-GZTJUZNOSA-N 459.510 2.605 50 1 JFGF [C-]#[N+][C@H]1C[C@H](OC(C)=O)[C@@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1 261169255 SNZYZIICBZKGCG-QAETUUGQSA-N 451.405 2.660 50 1 JFGF COc1ccc(CC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc1OC 618008362 YWJUWBCJPBISTL-SFHVURJKSA-N 469.673 2.544 50 1 JFGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)CN(C)C(=O)OCc2ccccc2)CC1 618009001 OGHZAISUCCDRSE-UHFFFAOYSA-N 496.699 2.553 50 1 JFGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@H]1/N=N/c1ccc(O)c(O)c1 72110196 OHOLMFBRKUBLND-QDVZYSMTSA-N 470.898 2.923 50 1 JFGF O=C1S/C(=C\c2ccc(OCc3ccc([B-](O)(O)O)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 198319664 PZWLRHOIUSLISO-XKZIYDEJSA-N 480.302 2.764 50 1 JFGF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 587408261 FKHPYAOQQIWWFQ-NRFANRHFSA-N 495.395 2.854 50 1 JFGF Cc1cc(N)c2c(c1)C(=O)C[C@](CBr)(c1ccc(O)c(NS(C)(=O)=O)c1)O2 587410084 QCQAFMWCMPQOJZ-SFHVURJKSA-N 455.330 2.910 50 1 JFGF Cc1cc2nc3c(nc2cc1C)[C@]1(C(C#N)=C(N)N2CCCNC2=C1[N+](=O)[O-])c1ccccc1-3 1772638659 VYYOWKBDUQMHCO-RUZDIDTESA-N 451.490 2.962 50 1 JFGF CCOC(NNC(N)=O)=C(C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 2356870367 XQMJFRCSZLZNIM-WGJQMSHFSA-N 453.580 2.842 50 1 JFGF Cc1[nH]c(C(=O)N/N=C\c2ccc(C(=O)O)cc2)c(C)c1C(=O)N/N=C/c1ccc(C(=O)O)cc1 61695553 CZZOVTKKHKQHJV-OEKTYVHZSA-N 475.461 2.556 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NC[C@@H]2CCCO2)O[C@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504673170 FGAZIYTVJQSGPZ-JAIUOELYSA-N 467.559 2.813 50 1 JFGF biogenic O=C(NCCCCN1CCOCC1)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 43544075 JEQDLWZQUNKKKJ-UHFFFAOYSA-N 492.360 2.629 50 1 JFGF COc1cccc2c1nc([C@H](CCCNC(=N)CCl)NC(=O)c1cccc3c1C(=O)NC3)n2C 1857754138 CHGCSASFGQYOTK-INIZCTEOSA-N 482.972 2.882 50 1 JFGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(-n3cncn3)cc2)cc(OC)c1Br 84687704 GWKGFTXSGZHUJG-LGWXCPLXSA-N 474.315 2.885 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@@]4(C)[C@@]3(F)C(=O)C[C@]21C 253756287 PEEVINHNMCRBOC-UWJDSKNRSA-N 454.922 2.870 50 1 JFGF O=c1sc(Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)c(O)n1Cc1ccc(F)cc1 170143786 YBYXYGIZRPLSEU-UHFFFAOYSA-N 465.311 2.652 50 1 JFGF Cc1ccc2c(c1)C[C@H](CC(=O)O)N(C(=O)OC(C)(C)C)[C@]21CCCc2ccc(B(O)O)cc21 963903655 CXNQUSQZHLAUMG-FQRUVTKNSA-N 465.355 2.891 50 1 JFGF C[C@H]1CCC[C@@H](C(=O)O)N1C(=O)CCSSCCC(=O)N1[C@@H](C)CCC[C@@H]1C(=O)O 13468096 YAFUBSHQRSFEPZ-YHUYYLMFSA-N 460.618 2.856 50 1 JFGF N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@H]1c1ccc([N+](=O)[O-])cc1 103211030 IGILOWWAZTYCCS-HNNXBMFYSA-N 470.492 2.660 50 1 JFGF COC(=O)C[C@H]1CC[C@](CCCCCOC(=O)NCCCC[C@@H]2CC[C@@H]3NC(=O)N[C@@H]32)(OC)OO1 169346264 JLIXHLXSEONGGM-FINVBEJZSA-N 499.605 2.920 50 1 JFGF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)O 587221831 QQAIKJARIHNKEC-SCZZXKLOSA-N 460.381 2.524 50 1 JFGF Cc1ccc(NC(=S)NNC(=O)CN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)cc1 95596602 PHAFXRMZICZEAU-UHFFFAOYSA-N 473.558 2.808 50 1 JFGF CC(C)Cn1c(N)c([C@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(=O)n(C)c1=O 587683463 HGCPEVACBZVZLW-BIBXISHDSA-N 487.801 2.703 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 618007923 NHCAQADJCBYKQF-KRWDZBQOSA-N 463.625 2.704 50 1 JFGF COc1ccc(Cl)c2c1CCN[C@]21C=C(CO)OC2=C1OC(N)=C(C#N)[C@H]2c1ccncc1 963257394 JMNYGULGXGDWEB-NTKDMRAZSA-N 464.909 2.710 50 1 JFGF NNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)c2ccccc2n1 43077016 JBRVVNXZZKDKFQ-AVCSHALZSA-N 458.566 2.757 50 1 JFGF OC1CSSCC(O)CSSCC(O)CSSCC(O)CSSC1 2356426465 ZTTVBVYURKHFBD-UHFFFAOYSA-N 488.856 2.969 50 1 JFGF COC1=C/C(=C/NNC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)cc2)C=CC1=O 13123060 AGHXLDNNLRGECR-XDJHFCHBSA-N 467.547 2.603 50 3 JFGF Cc1ccc(S(=O)(=O)O[C@@H]2CS[S@](=O)C[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 105478317 ZBQZGIZULLRIKY-KMVLGAPJSA-N 476.619 2.562 50 1 JFGF COC(=O)[C@@H]1CCCN1C(=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 504735827 YNHWFQPIXQFZGI-ZWYHSHKCSA-N 495.569 2.682 50 1 JFGF biogenic CCOc1ccc(-c2c(C(=O)N/N=C\c3cccc(Br)c3)nnn2-c2nonc2N)cc1 33364433 VLKHBCDQAASQLU-KSEXSDGBSA-N 497.313 2.825 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@H](Cl)[C@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 98084707 UDRIVXFOONJEJW-HZPDHXFCSA-N 498.970 2.742 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H](Br)[C@]3(Br)CCN(C2)[C@@H]13 31904863 BDRBXJGFHDFRJV-NWCWSAAOSA-N 477.193 2.662 50 1 JFGF COc1ccc(/C=N/NC(=O)c2cn3c4c(c(N5CCN(C)CC5)c(F)cc4c2=O)OC[C@H]3C)cc1 103290968 GFVWIWRFRFLQOU-UVHCEKQDSA-N 493.539 2.618 50 1 JFGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccc2)c1CSc1ccc(Cl)cc1 33620756 JBETVXPVVZIUQF-YVNNLAQVSA-N 454.903 2.942 50 1 JFGF CC(C)(C)[Si](O[C@@H]1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CO)(c1ccccc1)c1ccccc1 195496909 VCSVHBXJLMRITK-YPAWHYETSA-N 489.652 2.634 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 253645619 LMYWXWRDKLXOIX-LWCVJUTPSA-N 450.959 2.592 50 1 JFGF O=C(O)C1=NN(c2ccc(S(=O)(=O)O)cc2)[C@]2(C1)[C@@H](Cl)C(=O)N2c1nc2ccccc2s1 6009773 QQIYXSQDGMFMHN-HNAYVOBHSA-N 492.922 2.544 50 1 JFGF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CCl)OCCO3 29475082 WJHZRWBKASGXFE-HSZRJFAPSA-N 454.866 2.590 50 1 JFGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(OCc4ccccc4)ccc3B(O)O)N12 962650759 ZWCYODJCLSYHQF-LSYYVWMOSA-N 482.345 2.682 50 1 JFGF O=C(O)CNC(=O)c1ccc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 1483321 JBMCYARHKHSASM-ZDUSSCGKSA-N 456.842 2.873 50 1 JFGF O=C(NCc1ccc(B(O)O)cc1)c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 170143774 JXQNZRGLKNWQQB-XKZIYDEJSA-N 490.321 2.672 50 1 JFGF C=C1C(=O)O[C@H]2[C@@H]1[C@H](OC(=O)/C(C)=C\C)[C@H](C(=C)C=O)[C@@](C)([C@@H]1CO1)[C@@H]2OC(=O)/C(C)=C\C 238767084 XRPGSFNXFHPXAG-YFUUTRGYSA-N 458.507 2.630 50 1 JFGF CO[C@@H]1C[C@@]2(C=C(Br)C(=O)[C@@H](Br)C2)C2=C(N1)C(=O)c1[nH]cc3c1C2=NCC3 2356813265 CFBTYLSRRNPCCC-QQKBFRNYSA-N 495.171 2.778 50 1 JFGF Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)NNc2ccccc2)C(=O)NNc2ccccc2)cc1 5822870 WUSZCROEPZAEDE-JOCHJYFZSA-N 481.578 2.709 50 1 JFGF O=C1C[C@]2(Oc3c1ccc1c3CCCC1)C(=O)[C@@H](Br)C(=O)C(=O)[C@H]2Br 587497851 MUKAPENKILPKEI-BJOOFOGMSA-N 470.113 2.517 50 1 JFGF CCOC(=O)NCCSSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO 2356540198 PSFMBZXVOPCKLJ-UHFFFAOYSA-N 480.406 2.771 50 1 JFGF O=C(O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1Cc2ccccc2[C@@](CCl)(c2ccc(O)cc2)N1 963666106 JKQZESIVGHYYIZ-JCYRPKCISA-N 480.948 2.907 50 1 JFGF O=C(CN1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2)N/N=C/c1ccc2c(c1)OCO2 1772625529 VOWGULMGFQLWBG-RZQPMUKFSA-N 472.457 2.861 50 1 JFGF CC1=C(C(=O)NNC(=O)c2ccncc2)[C@H](c2ccccn2)N2C(=N1)Sc1cc(O)ccc12 1857614124 SDSIGWYOBMOHAJ-FQEVSTJZSA-N 458.503 2.940 50 1 JFGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)c2c(NS(C)(=O)=O)sc3c2CCCC3)cc1 98084693 XZTJIWVMNJOROG-DLBZAZTESA-N 483.999 2.843 50 1 JFGF COc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3C)cc2c1 98084815 IWGIUBVTKOKARE-FOKLQQMPSA-N 472.910 2.908 50 1 JFGF CCOC(=O)/C(C#N)=C1/SC(C(=O)N/N=C/c2ccc(OC)cc2)=C(N)N1c1ccccc1 1633233 WOWYNTJEUQIAJX-BUDAHZARSA-N 463.519 2.825 50 1 JFGF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587684267 KMVYMHGBLPGWPJ-NTCNTBNZSA-N 457.731 2.784 50 1 JFGF COc1cc2c(cc1OC)[C@H]1[C@@H]3N(CC[C@@]3(Br)[C@H](Br)[C@@H](OC)[C@@H]1O)C2 31904866 BDRBXJGFHDFRJV-LVZMMCSGSA-N 477.193 2.662 50 1 JFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)c1 95808819 DYCRJGVCXKBVMV-CNHKJKLMSA-N 457.078 2.800 50 1 JFGF CCCCCCCCc1ccnc(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 169370066 MULOKPFUKRZOJM-COUGEDSJSA-N 489.078 2.881 50 1 JFGF C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1)c1ccc(O)cc1 618007602 BNROQGYVFAOPPM-UZLBHIALSA-N 462.641 2.635 50 1 JFGF C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NN/C=C1\C=CC(=O)C=C1O 13126157 FQZNQAXWTLLZDQ-FOWTUZBSSA-N 452.540 2.562 50 3 JFGF O=C(N/N=C/N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)c1cccc(F)c1 72118974 LGYMLMNPHAQKTQ-CCVNUDIWSA-N 495.486 2.808 50 1 JFGF Nc1nonc1-c1nc2ccccc2n1CC(=O)N/N=C\c1ccc(-c2ccccc2C(=O)O)o1 15953254 SUBYZJBUYFAWAF-GATIEOLUSA-N 471.433 2.777 50 1 JFGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C2CC2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963161577 UIYBMRHMKGFJRT-WIOPSUGQSA-N 486.952 2.939 50 1 JFGF N#C/C(=C\c1ccc(O)c(O)c1)C(=O)N[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(O)c1 18118085 LLQAFRKQJAOAMO-AMCPEKKUSA-N 488.500 2.567 50 1 JFGF O=C1[C@@H]2Cc3nc[nH]c3[C@](CCl)(c3ccc(O)c(Cl)c3Cl)N2C(=O)[C@@H]2CCCN12 963219689 UCYGTYOAXVICBO-ZKTNFTSUSA-N 455.729 2.662 50 1 JFGF C=C1C[C@H](OC(=O)[C@](C)(CCl)OC(C)=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2C(=C)[C@@H](OC(C)=O)C[C@H]12 2356607789 QOFSCUKKFCFXNG-GLNVEGEOSA-N 466.914 2.641 50 1 JFGF O=C(NCCSSCCNC(=O)/C(Cc1ccccc1)=N/O)/C(Cc1ccccc1)=N/O 57531076 GNHRRDAGELSCIC-FQHZWJPGSA-N 474.608 2.746 50 1 JFGF CN1c2ccc(F)cc2C(=O)N2CCc3c([nH]c4ccc(OCc5ccc(B(O)O)cc5)cc34)[C@H]21 1911574122 KWTNLBMBJGHQDW-VWLOTQADSA-N 471.297 2.713 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=CN2)C=C(Br)C(=O)[C@@H](Br)C1 2356839058 MFQWIJBVEAJAIA-XTZNXHDOSA-N 463.129 2.929 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@]3(Br)CCN(C2)[C@H]13 299815105 BDRBXJGFHDFRJV-OIGKAMSRSA-N 477.193 2.662 50 1 JFGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2B(O)O)N1C(=O)c1ccc(Cl)cc1 963016793 MPWYIKRDOJPKDY-FYYLOGMGSA-N 474.709 2.742 50 1 JFGF C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@](CBr)(c2ccccc2)OC1=O 1911586853 RNJBALKQJUIBEW-LJQANCHMSA-N 481.324 2.989 50 1 JFGF [N-]=[N+]=NC[C@H]1OCO[C@H](CN=[N+]=[N-])[C@@H](OCCOCCCl)[C@@H]1OCCOCCCl 6003923 HOSKGKHXKBOJOX-KBUPBQIOSA-N 457.315 2.630 50 1 JFGF COc1ccc2nc([C@H](CCCNC(=N)CCl)NC(=O)c3cccc4c3C(=O)NC4)[nH]c2c1 1857761600 BGDOPPYSISYTTB-KRWDZBQOSA-N 468.945 2.872 50 1 JFGF COc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1OC 618007837 KEYLXDJGYOAICM-MRXNPFEDSA-N 455.646 2.615 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 58513390 LMYWXWRDKLXOIX-SUKYPXEESA-N 450.959 2.592 50 1 JFGF CC1=CC2=C(C=O)[C@]3(N[C@@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 587838262 NBRZHMPPKURZDM-PXQMVQSQSA-N 450.304 2.757 50 1 JFGF CO[C@@]12O[C@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 195411129 UEJGAGUXDUNUSH-KGCCDXPUSA-N 462.571 2.664 50 1 JFGF CC(C)(F)CC[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN 26263533 YCSKQJAQTMWDNX-JZWVFAODSA-N 481.572 2.856 50 1 JFGF COc1c(N2CCN(C)CC2)c(F)cc2c(=O)c(C(=O)N/N=C\c3ccc(O)cc3)cn(C3CC3)c12 1911580894 PYYARVIFFGFOSE-MUXKCCDJSA-N 493.539 2.705 50 1 JFGF CC1(C)N=C(N)N=C(N)N1c1cccc(C[C@H](CNC(=O)CBr)c2ccccc2)c1 13446227 VYEJEDAIGKQWHH-QGZVFWFLSA-N 471.403 2.710 50 1 JFGF CCN1CCN(CCCNc2ccc(N=c3c(C(=O)NN)c[nH]c4ccc(F)cc34)cc2)CC1 473151893 SEDAYQHCORRHEK-UHFFFAOYSA-N 465.577 2.582 50 1 JFGF COc1cc([C@@H]2c3cc4c(cc3[C@H](NC(=O)CCl)[C@H]3COC(=O)[C@H]32)OCO4)cc(OC)c1OC 504619688 WZDBPQCRVZJXEN-VKPKAYIDSA-N 489.908 2.772 50 1 JFGF biogenic O=C(CI)N[C@@H]1CC[C@H]2[C@@H]3Cc4ccc(O)c5c4[C@]2(CCN3CC2CC2)[C@H]1O5 25989233 SOWVRVJXSQPXGW-VTEXIKTKSA-N 494.373 2.761 50 1 JFGF CCOc1ccc(N(CC(=O)N/N=C\c2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 33349700 ILXUWARHWPIKKG-JAIQZWGSSA-N 454.892 2.563 50 1 JFGF CCOc1ccc(-c2c(C(=O)N/N=C\c3ccc(Cl)cc3)nnn2-c2nonc2N)cc1 33369014 FXZOPMIVIOWQGG-KSEXSDGBSA-N 452.862 2.716 50 1 JFGF CC(C)CN(NC(=O)c1cc2cc(OCCN3CCNCC3)ccc2o1)c1nc(C#N)ncc1Cl 58575144 AYOFZKIWVWPRPR-UHFFFAOYSA-N 497.987 2.839 50 1 JFGF Nc1nccc([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962928104 RAMZQLKDISVOJU-LAUBAEHRSA-N 471.311 2.794 50 1 JFGF N[C@@](CCCC[B-](O)(O)O)(C(=O)O)[C@@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 263620640 KCKQBVVBSIZAMB-UIVXKWKOSA-N 460.187 2.605 50 1 JFGF in-vitro Cn1cnc(C(=O)NNC(=O)COc2c(F)cc(C(=O)c3ccc(Cl)cc3)cc2Cl)c1 1857648293 XEHRGPNPPPQJBY-UHFFFAOYSA-N 465.268 2.937 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 118930274 NLRHSCFIPPYFIR-WRVWWWEESA-N 495.410 2.748 50 1 JFGF Cc1cc(C)cc(C(C)(C)CN(CC(=O)N[C@H](CCCCN)B(O)O)C(=O)CCc2ccccc2)c1 169998578 NNDZBMZJIBCTOP-RUZDIDTESA-N 495.473 2.668 50 1 JFGF C[C@@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccncc1)c1ccc(O)cc1 618007900 MHRMNKODUVGGTG-UZLBHIALSA-N 462.641 2.635 50 1 JFGF O=C(NCCCn1ccnc1)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 28604277 VFORUHRCEZEAIW-UHFFFAOYSA-N 459.290 2.804 50 1 JFGF COc1cc(OC)cc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 618008203 UMJWQYNCKGDMKU-UHFFFAOYSA-N 455.646 2.615 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@@]1(C=CN2)C=C(Br)C(=O)[C@@H](Br)C1 2356839059 MFQWIJBVEAJAIA-YPMLDQLKSA-N 463.129 2.929 50 1 JFGF COC(=O)CC[C@]1(CBr)c2scnc2C[C@H](C(=O)O)N1C(=O)OC(C)(C)C 963150733 SCIGNNMOYFMMOK-DIFFPNOSSA-N 463.350 2.933 50 1 JFGF N#CC1=C(N)[N+](c2ccc(S(N)(=O)=O)cc2)=C2CCCC[C-]2[C@@H]1c1ccc([N+](=O)[O-])cc1 55837542 PVZBDAAESMPRIJ-NRFANRHFSA-N 451.508 2.967 50 1 JFGF CCO[C@H]1C[C@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 14948793 ZQHNREXELVXBCG-PHKFRDKFSA-N 478.626 2.914 50 1 JFGF endogenous,in-man CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 253646342 NLRHSCFIPPYFIR-WJYBGPFMSA-N 495.410 2.748 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O 100778439 QXPGYRDUXBYJHG-PHLIYRLVSA-N 450.915 2.888 50 1 JFGF endogenous,in-man CC(C)(F)CC[C@@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cnc2ccccc2n1)C(=O)NN 26263526 YCSKQJAQTMWDNX-HARLFGEKSA-N 481.572 2.856 50 1 JFGF O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(-c2cc(C(F)(F)F)n(C(F)(F)F)n2)s1 169879910 IQOUSHFVYQKIBF-UHFFFAOYSA-N 485.196 2.587 50 1 JFGF O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O 1857584362 LADOOOAZJIRQRG-UVHMKAGCSA-N 478.484 2.557 50 1 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 587769586 OJBJVYGSFWCMQL-GTJPDFRWSA-N 460.351 2.783 50 1 JFGF CC(=O)Nc1ccc([C@]2(CBr)N[C@H](C(=O)O)Cc3c(Cl)cc(F)c(F)c32)nn1 962966803 AFNYQTVITIPYJE-GTNSWQLSSA-N 475.677 2.604 50 1 JFGF O=C(N/N=C/c1ccc2c(c1)OCO2)c1ccc(Cn2cc(Br)c([N+](=O)[O-])n2)o1 689221 WSELNTPLNGUPIV-KPSZGOFPSA-N 462.216 2.688 50 1 JFGF COc1cc(/C=N/NC(=O)[C@@H](OC)c2ccc(-n3ccnn3)cc2)cc(OC)c1Br 84688340 RARAKXQOMNGHJI-DOUQRPAJSA-N 474.315 2.885 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C[C@H](Cl)C4=CC(=O)CC[C@]4(C)[C@@]3(F)C(=O)C[C@@]21C 118934026 PEEVINHNMCRBOC-ZTFYXIPQSA-N 454.922 2.870 50 1 JFGF N[C@@](CCCC[B-](O)(O)O)(C(=O)O)[C@H]1C[C@@H]2CC[C@H](C1)N2Cc1ccc(Cl)c(Cl)c1 263620639 KCKQBVVBSIZAMB-IHSNIMORSA-N 460.187 2.605 50 1 JFGF in-vitro N#CC1=C(CN2CCOC[C@H]2C(=O)O)N=C(c2nccs2)N[C@H]1c1ccc(F)cc1Cl 1772602476 HRZXLRJHAWYZGZ-IRXDYDNUSA-N 461.906 2.590 50 1 JFGF CC1=CC2=C(C=O)[C@@]3(N[C@@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 587837626 JLFLZRUSBHJDKW-PXQMVQSQSA-N 450.304 2.757 50 1 JFGF O=C(CNC(=O)OCc1ccccc1)NCC(=O)N[C@H](/C=C/CBr)Cc1ccccc1 26375480 MIFCHWCZNPXCEC-ACGJQVIASA-N 488.382 2.708 50 1 JFGF N#CC1=C(N)N2CCN(Cc3ccc(Cl)nc3)C2=C([N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 103202363 MKBXWIAQRCXYHE-QGZVFWFLSA-N 453.846 2.698 50 1 JFGF COc1cc2c(cc1OC)[C@]1(C[C@@H]2NC(=O)CCl)N[C@H](C(=O)O)Cc2c1cnc1ccccc21 963224711 MRPFAQBWDOPVTI-RLSLOFABSA-N 481.936 2.894 50 1 JFGF N[C@H](Cc1nc2ccc(S(F)(F)(F)(F)F)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587217314 AZJPCHQYUUSJBB-SCZZXKLOSA-N 460.381 2.524 50 1 JFGF ClCCN1CCCN(CCCl)CCN(CCCl)CCCN(CCCl)CC1 38153041 ILONEONVNOSBBQ-UHFFFAOYSA-N 450.326 2.943 50 1 JFGF CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@@]3(C)CC[C@@]2(C)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)C=C1C=O 14948784 ZQHNREXELVXBCG-JYIFVUSBSA-N 478.626 2.914 50 1 JFGF endogenous,in-man CCOC(=O)c1noc(C)c1[C@]1(CBr)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963234486 UUJJTZVCAULPDC-IIBYNOLFSA-N 474.311 2.945 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@@]1(C=CN2)C=C(Br)C(=O)[C@H](Br)C1 2356839056 MFQWIJBVEAJAIA-MGNBDDOMSA-N 463.129 2.929 50 1 JFGF COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)O[C@H](CCl)CO2 103272215 BKURZQDTNXVDHR-ZKYUSFSUSA-N 494.924 2.945 50 1 JFGF CC(C)(C)[Si](C)(C)OC[C@H]1O[C@@H](N)[C@H](O[Si](C)(C)C(C)(C)C)[C@]12OS(=O)(=O)C=C2N 195958097 YEZMXKFSLBKTJE-YYAJDYIMSA-N 480.776 2.981 50 1 JFGF COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@H]2CCCN2C(=O)N3c2ccccc2)cc1 84710948 JLMLSJSFRSYTJE-VBYICHLGSA-N 458.478 2.951 50 1 JFGF COc1cc(/C=N/NC(=O)c2ccc(Cn3cc(Br)c([N+](=O)[O-])n3)o2)cc(OC)c1O 2090215 ABPBPWXVNXPPBB-IFRROFPPSA-N 494.258 2.682 50 1 JFGF N#CCC(=O)N/N=C(\C(=O)Nc1ccc(Cl)c(Cl)c1)[C@@H]1CN(c2ccccc2)N=C1N 17195638 ODAKOHDSCHJOCV-APVWPMNASA-N 458.309 2.726 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@@H]2[C@@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 253690756 NLRHSCFIPPYFIR-LWCVJUTPSA-N 495.410 2.748 50 1 JFGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccc2ccccc2c1)B(O)O 1772652381 MJQXNCHZINHFLD-ZEQRLZLVSA-N 461.371 2.793 50 1 JFGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587671494 SIXOYZGWCSBEGU-NQEWKILCSA-N 467.129 2.817 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@@H]1c1ccc([N+](=O)[O-])cc1)CCCC2 98084706 UDRIVXFOONJEJW-HOTGVXAUSA-N 498.970 2.742 50 1 JFGF CC/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(Cl)ccc1O 103228998 OPNNGPMDAVGREY-PYCFMQQDSA-N 451.932 2.611 50 1 JFGF Cn1ccnc1SCC(=O)Nc1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)ccc1Cl 586964202 YKUIICMBNPCHDH-UHFFFAOYSA-N 455.931 2.951 50 1 JFGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2cc(Cl)cc(Cl)c2)c1 13862964 BZRUQNTYVLMGAR-GFCCVEGCSA-N 452.298 2.708 50 1 JFGF N#CCCCN1CCN(C(=S)SSC(=S)N2CCN(CCCC#N)CC2)CC1 212329077 GJRCACLUPQBOLQ-UHFFFAOYSA-N 456.732 2.780 50 1 JFGF CC1=CC2=C(C=O)[C@]3(N[C@H](C)Cc4ccc(F)c(Br)c43)[C@](C)(O)[C@@H](O)C2=CO1 587837623 JLFLZRUSBHJDKW-BBOCTJLQSA-N 450.304 2.757 50 1 JFGF NCCSSCCNC(=O)C1CCN(C(=O)c2ccsc2Br)CC1 618007898 UGERLUSMBTVUDW-UHFFFAOYSA-N 452.465 2.819 50 1 JFGF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(OC)C=C[C@@]3(C[C@@H]2NC(=O)CBr)[C@@H]1C5 100687061 GTWZIHJZYOBNJM-IDPRYXOGSA-N 489.410 2.656 50 1 JFGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)c2c(NS(C)(=O)=O)sc3c2CCCC3)cc1 98084696 XZTJIWVMNJOROG-SJORKVTESA-N 483.999 2.843 50 1 JFGF CCCCC(=O)NNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1Cc1ccccc1 299865120 NFLHHWWTJJBJEK-UHFFFAOYSA-N 484.578 2.892 50 1 JFGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@@H](C)Cc2cc(Br)c(F)cc21 587671493 SIXOYZGWCSBEGU-HLVXZEEUSA-N 467.129 2.817 50 1 JFGF CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)CCl 2356715756 QJRWKLJFMYNELF-CIQXWFTPSA-N 458.935 2.863 50 1 JFGF COC(=O)[C@@H]1C(C=O)=Cc2c(cc3c(c2OC)OCO3)[C@@H]1c1cc(OC)c(OC)c(OC)c1 28228586 BJLOLDZHLUBSFR-VQTJNVASSA-N 456.447 2.967 50 1 JFGF COc1cc(OC)cc(C(=O)N/N=C/c2ccc(OCCn3c([N+](=O)[O-])cnc3C)cc2)c1 473105549 SSJQYSPNEPWZTH-ZMOGYAJESA-N 453.455 2.960 50 1 JFGF CC(=O)O[C@@H]1C=C2C(COC(=O)CC(C)C)=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@@]1(O)CCl 2356715755 QJRWKLJFMYNELF-BRKWEVRTSA-N 458.935 2.863 50 1 JFGF CCO[C@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O 85927490 ZQHNREXELVXBCG-ARLCOSRLSA-N 478.626 2.914 50 1 JFGF in-man O=C(Nc1ccc(F)cc1)c1ccc(N(Cc2ccccc2)Cc2ccc(B(O)O)cn2)nc1 472892167 MXCRXBCGEWUMNZ-UHFFFAOYSA-N 456.286 2.755 50 1 JFGF COc1cc(OC)c([C@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(OC)c1 963550455 MHFYZDZHQJBBOF-LHSJRXKWSA-N 466.328 2.964 50 1 JFGF CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C/c2ncc[nH]2)c2ccc(Cl)cc2)cc1 13677331 YVHGINVRZRXJOT-ZMOGYAJESA-N 461.931 2.807 50 1 JFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1 95809701 ATTMJAMGEIWQGB-BUVRLJJBSA-N 462.487 2.761 50 1 JFGF Cc1cc(=O)oc2cc(OCC(=O)NNS(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc12 103221140 ISQWQTBBBHEFST-UHFFFAOYSA-N 456.398 2.509 50 1 JFGF CCCCCC[C@H](C)C=C(C)C=CC(=O)N[C@@H]1CC2(O[C@@H]1O)[C@H](O)[C@H](Cl)C(=O)[C@@H](Cl)[C@H]2O 2356805005 VCUWTCWVACEZRD-OVXFKLEKSA-N 492.440 2.577 50 1 JFGF O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)NNC(=O)c1ccccc1O 924458 VSIRKXHRTNBKHE-UHFFFAOYSA-N 464.482 2.727 50 1 JFGF CCOC(=O)c1cc2cc(NC(=O)COCc3nc4ccc(C(=O)NN)cc4[nH]3)ccc2s1 587033176 GHRKCCWLIFGCNY-UHFFFAOYSA-N 467.507 2.713 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)OCc2ccccc2)C1 618009323 VKRGQQFEIUGIEY-FQEVSTJZSA-N 496.699 2.553 50 1 JFGF COc1ccc(COCC[C@H](C)O[C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C)[C@H](O)[C@@H](O)[C@@H]2O)cc1 1857623804 JCEHMHPUDMTGQR-NDIHTTOJSA-N 486.678 2.836 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Cl 58504641 LMYWXWRDKLXOIX-XGBFOWPJSA-N 450.959 2.592 50 1 JFGF Cc1ccc(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1S(=O)(=O)N1CCOCC1 101850241 LRFYIDIJXKTVIX-JZJYNLBNSA-N 482.518 2.542 50 1 JFGF CC(=O)Oc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618008200 UJGNPGODSLQFJG-GOSISDBHSA-N 453.630 2.523 50 1 JFGF [C-]#[N+]CC(=O)N1CCC(CCNC(=O)c2cnc(-n3ncc4cc(C#N)cnc43)cc2NC(C)C)CC1 1772611338 RZSQQUFZWXJQLW-UHFFFAOYSA-N 499.579 2.785 50 1 JFGF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H](OC(=O)/C(C)=C\C)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238746545 GHOJZPMHDHAHHX-JWCXRFKLSA-N 458.507 2.678 50 1 JFGF C=C1C[C@H](OC(=O)[C@@](C)(CCl)OC(C)=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]2C(=C)[C@@H](OC(C)=O)C[C@@H]12 238756283 QOFSCUKKFCFXNG-XQYIGHIWSA-N 466.914 2.641 50 1 JFGF N#CC1=C(N)OC2=C(C1(C#N)C#N)[C@]1(CCC2)N[C@H](C(=O)O)Cc2c(Cl)cc(F)c(F)c21 962972361 IIMFLAJQDCFNQL-YEJXKQKISA-N 457.824 2.608 50 1 JFGF COc1cc2c(cc1OC)[C@]1(C[C@@H]2NC(=O)CCl)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963224713 MRPFAQBWDOPVTI-RNHFSVANSA-N 481.936 2.894 50 1 JFGF COc1ccc(/C=N/NC(=O)c2nc3c(c(=O)[nH]2)[C@@H]2CCCN2C(=O)N3c2ccccc2)cc1 84710950 JLMLSJSFRSYTJE-MJDKSPQASA-N 458.478 2.951 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1cccc([N+](=O)[O-])c1)CCCC2 98084446 BUQGEVDJDSIAAY-JKSUJKDBSA-N 498.970 2.742 50 1 JFGF CCOC(=O)NNC(=O)c1csc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 33619293 APTOARISECKYMG-UHFFFAOYSA-N 455.540 2.964 50 1 JFGF O=C(CN1CCN(c2nc3ccccc3s2)CC1)NNC(=O)c1ccc(Br)cc1 1857597421 KUZXCABNZOLOPT-UHFFFAOYSA-N 474.384 2.642 50 1 JFGF COCCOP(=O)(OCCOC)[C@H](N/C(SC)=C(/C#N)C(N)=O)c1ccccc1F 103201058 XEPPUOCGJZWEPM-AATZCTEQSA-N 461.452 2.516 50 1 JFGF C[C@@H]1Cc2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc2N1S(C)(=O)=O 962909454 XJAVXUUIPHOZDM-LGZJRCCHSA-N 452.935 2.618 50 1 JFGF COc1c(Br)cc(C=C2O[C@@H]([C@@H](Cl)CCNC(=N)N)NC2=O)cc1Br 2356447999 MAFCLHRCIOQMGL-HZMBPMFUSA-N 496.587 2.514 50 1 JFGF C=C(Cn1cnc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1)C(=O)NN=c1cncc[nH]1 1857654731 RGELPZFMBRGONI-UHFFFAOYSA-N 457.338 2.894 50 1 JFGF O=C(C[C@H](NC(=O)c1ccccc1)c1cccc(Cl)c1)N[C@@H](Cc1ccccc1)B(O)O 195469143 GQMQQCWRGUQWGB-VXKWHMMOSA-N 450.731 2.941 50 1 JFGF CCCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O 587685804 RQPMDOYRMKSWMO-LZVRBXCZSA-N 459.747 2.859 50 1 JFGF COc1c(Br)cc(C=C2O[C@H]([C@H](Cl)CCNC(=N)N)NC2=O)cc1Br 2356448001 MAFCLHRCIOQMGL-QMTHXVAHSA-N 496.587 2.514 50 1 JFGF CC(=O)OCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2C1=C[C@H](OC(=O)CC(C)C)[C@]2(O)CCl 100829699 HHVCVAIASNFMBE-ZHNGQKSSSA-N 458.935 2.863 50 1 JFGF endogenous,in-man N#CC1=C(N)Oc2nc(Nc3ccc(S(N)(=O)=O)cc3)sc2[C@@H]1c1ccc([N+](=O)[O-])cc1 103211036 IGILOWWAZTYCCS-OAHLLOKOSA-N 470.492 2.660 50 1 JFGF CCOC(=O)/C(C#N)=C/c1c2c(nc3ccccc13)-c1cc3c(c(=O)n1C2)COC(=O)[C@]3(O)CC 36446122 VHGZWEQSMBFWMY-BULTVDLSSA-N 471.469 2.550 50 1 JFGF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587683427 HAUXMRYEDYHXGK-CVJBHZAOSA-N 457.731 2.784 50 1 JFGF C#CCOC(=O)C[C@@H]1C(C(=O)OCC#C)=C(N)Oc2ccc(-c3cccc(NC(=O)CCl)c3)cc21 95561130 RGCFUVMOPOIJOC-FQEVSTJZSA-N 492.915 2.920 50 1 JFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587684260 KMVYMHGBLPGWPJ-ASCAZGACSA-N 457.731 2.784 50 1 JFGF CCCC[C@@]1(c2cc(B(O)O)ccc2F)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703644 MLVYCHSTVZFECT-AZUAARDMSA-N 457.204 2.696 50 1 JFGF COc1cc(C(=O)C/C(CCC(=O)Nc2ccc(Cl)cc2Cl)=N/NC(=O)C(N)=O)ccc1O 5889196 OGKLSMDPWRITTR-LGJNPRDNSA-N 495.319 2.657 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@@H]1C[C@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O 100778441 QXPGYRDUXBYJHG-HVOVXEQVSA-N 450.915 2.888 50 1 JFGF endogenous,in-man O=C(O)[C@H]1Cc2cc(C(F)(F)F)c(Cl)cc2[C@](c2ccccc2)(c2ccc(B(O)O)cc2)N1 963172709 CRJZINNKZCATQI-IRLDBZIGSA-N 475.659 2.929 50 1 JFGF CN(C)CC(=O)N1CCC(C(=O)Nc2nccc(/C(C#N)=C3\NC(C(C)(C)C)=CS3)n2)CC1 64447713 APFGZVDICTWSTI-LTGZKZEYSA-N 469.615 2.631 50 1 JFGF CCCCCCCCc1ccnc(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 169370068 MULOKPFUKRZOJM-NZRHABFJSA-N 489.078 2.881 50 1 JFGF COc1cc(CC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cc(OC)c1OC 618008249 CJOOCYXAAHBZEH-SFHVURJKSA-N 499.699 2.553 50 1 JFGF CCOC(=O)c1noc(C)c1[C@@]1(CBr)N[C@@H](C(=O)O)Cc2c1cnc1ccccc21 963234480 UUJJTZVCAULPDC-IERDGZPVSA-N 474.311 2.945 50 1 JFGF O[C@H]1CSSC[C@H](O)CSSC[C@@H](O)CSSC[C@@H](O)CSSC1 238754903 ZTTVBVYURKHFBD-NQYKUJLISA-N 488.856 2.969 50 1 JFGF CC(=O)OCC=C(COC(C)=O)C[C@H](C=C(C)C[C@H](C=C(C)C=O)OC(C)=O)OC(C)=O 2356432506 CPTQKVROSNDWKU-PKTZIBPZSA-N 452.500 2.774 50 1 JFGF COC1=C/C(=C/NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C=CC1=O 22919894 DQTITTIUKKTUSZ-QURGRASLSA-N 472.589 2.958 50 3 JFGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc(Br)cc(Br)c2O)cc1 95809697 RBCGLZKSCZOUMT-CNHKJKLMSA-N 457.078 2.800 50 1 JFGF CC(=O)OCC(=O)[C@@]1(O)[C@@H](C)C[C@H]2[C@H]3[C@H]([C@@H](O)C[C@@]21C)[C@@]1(C)C=CC(=O)C=C1C[C@H]3Br 118934048 NLRHSCFIPPYFIR-QYPMSQIYSA-N 495.410 2.748 50 1 JFGF COc1ccc2c(c1)nc([C@H](CCCNC(=N)CCl)NC(=O)c1cccc3c1C(=O)NC3)n2C 1857756572 OUAOGOXVJLSPTG-KRWDZBQOSA-N 482.972 2.882 50 1 JFGF O=C(O)C[C@H](NC(=O)NNC(=O)CCCCNc1ccccn1)c1ccc(Br)cc1 29565639 SWLASRCVXLUPHK-INIZCTEOSA-N 478.347 2.973 50 1 JFGF CN(C)CCSSCCCn1cc(CNC(=O)c2ccc(OCC(F)(F)F)nc2)nn1 618010531 YMZKQRIEAWGPSB-UHFFFAOYSA-N 478.566 2.877 50 1 JFGF CCCn1c(N)c([C@@]2(CCl)N[C@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O 587686625 WECOZZGZHVXUNA-LZVRBXCZSA-N 459.747 2.859 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356548783 FNANXLQPEYLHNF-ZPCZRFHTSA-N 460.523 2.758 50 1 JFGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356427596 GHOJZPMHDHAHHX-MLNNCEHLSA-N 458.507 2.678 50 1 JFGF CCCCCCCCc1ccnc(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 253702050 MULOKPFUKRZOJM-ZHFKSYEYSA-N 489.078 2.881 50 1 JFGF CCOc1ccc(OCC)c(C(=O)N2CCC(C(=O)NCCSSCCN)CC2)c1 618008067 XUUSUOSYDCEEJK-UHFFFAOYSA-N 455.646 2.793 50 1 JFGF C[C@H]1Cc2cc([C@@]3(CCl)N[C@H](C(=O)O)Cc4cccc(F)c43)ccc2N1S(C)(=O)=O 962909457 XJAVXUUIPHOZDM-ODLKPZKQSA-N 452.935 2.618 50 1 JFGF CCN1C(NNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)=NS(=O)(=O)c2ccccc21 28951316 XVUSIFWJCIUXPM-UHFFFAOYSA-N 455.452 2.674 50 1 JFGF O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2B(O)O)N1C(=O)c1ccc(Cl)cc1 963016795 MPWYIKRDOJPKDY-GGAORHGYSA-N 474.709 2.742 50 1 JFGF COc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccc3c2CCCC3)cc1 195275063 MSSZNBZSOLDJMO-ZEQRLZLVSA-N 466.387 2.978 50 1 JFGF CC(C)(C)[Si](OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1F)(c1ccccc1)c1ccccc1 170069437 XHPAXDNHQFGCEQ-QZNHQXDQSA-N 468.601 2.739 50 1 JFGF CS(=O)(=O)c1ccc(F)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3cccc(F)c32)c1 962898976 NLTKTYHTLGJSET-MAUKXSAKSA-N 460.296 2.606 50 1 JFGF CC(=O)Nc1cccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)c1 618007779 ICVWLMVKRLXCPW-UHFFFAOYSA-N 452.646 2.556 50 1 JFGF O=C1S[C@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)[C@H](O)N1Cc1ccc(F)cc1 170143796 MWFUPJUSLRPAFM-PKTZIBPZSA-N 467.327 2.683 50 1 JFGF COc1ccc2c(c1)cc([C@@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 299827502 GBGMVSCSSCQLIY-JOCHJYFZSA-N 464.489 2.986 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCC[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 504506666 FGGBGVLIXGEXDO-RKPRTNLBSA-N 481.542 2.593 50 1 JFGF biogenic CC[N+]1(C[C@@]2(c3ccc(B(O)O)cc3Cl)c3ccsc3CCN2Cc2cccnc2)CC1 963000846 XMAXXKRMAJRSAE-XMMPIXPASA-N 468.839 2.629 50 1 JFGF COc1cc(/C=N/NC(=O)[C@H](OC)c2ccc(N3CCOCC3)nc2)cc(OC)c1Br 84725263 UUZPOFPCYPGMBO-BLTFUYFMSA-N 493.358 2.536 50 1 JFGF COc1ccc(C(=O)NNC(=O)c2ccc3[nH]c(-c4ccc([N+](=O)[O-])o4)nc3c2)cc1OC 66080572 ZJHMBRWCRJCHSV-UHFFFAOYSA-N 451.395 2.823 50 1 JFGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)CC(=O)Nc2ccccc2Cl)ccc1OC(C)=O 101083442 YAUSOYHEGDGMRE-VQTJNVASSA-N 480.304 2.825 50 1 JFGF COCCN(CCOC)S(=O)(=O)c1ccc(/C(O)=C(\C#N)c2nc3ccccc3[nH]2)cc1 101573792 ZVUUPOZRCHNUBT-UZYVYHOESA-N 456.524 2.796 50 1 JFGF N=c1n(CC(=O)N/N=C/c2ccc(F)cc2)c2ccccc2n1CC(=O)N/N=C/c1ccc(F)cc1 101730911 GYBMPOFDSDFCDB-HZUVFDMRSA-N 489.486 2.501 50 1 JFGF COc1c(C)c2c(c(O)c1C/C=C(\C)CCc1nc3ccc(C(=O)NN)cc3[nH]1)C(=O)OC2 586915787 RLWAYVLJTPAWFH-UUILKARUSA-N 450.495 2.981 50 1 JFGF O=C(NN=CC[C@H]1[C@@H](O)C[C@@H](O[C@H]2CCCCO2)[C@@H]1CO[C@@H]1CCCCO1)c1ccncc1 1857594428 QSENQGAVKZPPFT-ZGRTYHRDSA-N 461.559 2.639 50 1 JFGF C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](CC(=O)N(CCCN)CCCCN)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4 49781122 IPWPOWQGGSRABV-IOHAFTTGSA-N 453.624 2.543 50 1 JFGF CC1=CC2=C(C=O)[C@]3(N[C@H](C)Cc4cc(Br)c(F)cc43)[C@](C)(O)[C@@H](O)C2=CO1 587838260 NBRZHMPPKURZDM-FVCKSQQHSA-N 450.304 2.757 50 1 JFGF CN1CCN(Cc2ccc(C(=O)NN(c3nc(C#N)ncc3Br)C3CCC3)cc2)CC1 58582578 HUSCJYIWACXSFZ-UHFFFAOYSA-N 484.402 2.562 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587670195 ISAOZVCUNLUEAY-OEODGHQXSA-N 467.129 2.817 50 1 JFGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)C(=O)c2c[nH]c3ccccc23)C1 618007630 IWSPZVHLRZTOLZ-INIZCTEOSA-N 462.641 2.648 50 1 JFGF COc1ccc(OC)c(CC(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)c1 618008146 SJDOWXHIUHNTGU-KRWDZBQOSA-N 469.673 2.544 50 1 JFGF CC(C)n1cnc2c(N3CCc4ccc(O)cc4[C@H]3c3cccc(F)c3B(O)O)nc(Cl)nc21 963927508 ASLZSWHAGIZCBI-HXUWFJFHSA-N 481.724 2.737 50 1 JFGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1cccc(F)c1)B(O)O 195462191 XBZMMABJPOWCBV-YADHBBJMSA-N 452.266 2.566 50 1 JFGF CCCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3ccc(F)c(Br)c32)c(O)nc1=O 587686627 WECOZZGZHVXUNA-NIVTXAMTSA-N 459.747 2.859 50 1 JFGF CC1(C)CNC2=C([N+](=O)[O-])[C@]3(C(C#N)=C(N)N2C1)c1ccccc1-c1nc2ccc([N+](=O)[O-])cc2nc13 1772582439 MAFAISNXFRSCJB-VWLOTQADSA-N 496.487 2.889 50 1 JFGF O=C(O)CNC(=O)c1ccc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](=O)[O-])cc43)[nH]c2c1 3981602 JBMCYARHKHSASM-CYBMUJFWSA-N 456.842 2.873 50 1 JFGF O=C(NCC(O)CNC(=O)c1ccc(CCl)c([N+](=O)[O-])c1)c1ccc(CCl)c([N+](=O)[O-])c1 2178320221 QQNVBTHVMAKHFM-UHFFFAOYSA-N 485.280 2.501 50 1 JFGF Cc1cc2c(cc1S(=O)(=O)Oc1ccccc1C(=O)N/N=C\c1ccc(C(=O)O)cc1)OCO2 40859869 XGXDJFYACDOYGB-MSXFZWOLSA-N 482.470 2.954 50 1 JFGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@@H](C)Cc2ccc(F)c(Br)c21 587670191 ISAOZVCUNLUEAY-DCVWNHFUSA-N 467.129 2.817 50 1 JFGF COc1cccc(C(=O)NCC(=O)N/N=C\c2ccc(OC(=O)c3cccs3)c(OC)c2)c1 33664515 PLNQMSIQYKWGJI-MXAYSNPKSA-N 467.503 2.865 50 1 JFGF COc1ccc2c3c1O[C@H]1C(OC)(OC)[C@@H](I)C=C4[C@H](C2)N(C)CC[C@]431 195517922 CFQVRXZCCTVTIK-JOQQVMPUSA-N 469.319 2.687 50 1 JFGF CCn1cc(C(=O)N/N=C2\C(=O)Nc3ccc(Br)cc32)c(=O)c2ccc(C)nc21 64261569 SCEWDOSKMLWWAX-UHFFFAOYSA-N 454.284 2.574 50 1 JFGF NCCSSCCNC(=O)C1CCN(C(=O)c2cc(Br)ccc2F)CC1 618007804 QOEROGRSALNJEC-UHFFFAOYSA-N 464.426 2.897 50 1 JFGF COC(=O)/C(C#N)=C/c1cc(OC)c(O)c(-c2cc(/C=C(\C#N)C(=O)OC)cc(OC)c2O)c1 39067640 QRYOJEHJAQPCQN-IAGONARPSA-N 464.430 2.942 50 1 JFGF O=C(N/N=C/[c-]1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 169693957 MUNAURQKGPYYIY-WQEBFIPHSA-N 480.438 2.565 50 1 JFGF N[C@@H](CCCCN[P@](=O)(OCc1ccc([N+](=O)[O-])o1)N(CCCl)CCCl)C(=O)O 27764439 KIWHVNIJSWCIGA-YBKRRLQSSA-N 475.266 2.764 50 1 JFGF CC(=O)N[C@H]1CC[C@H](N(NC(=O)OC(C)(C)C)c2nc(C#N)ncc2Br)CC1 299811969 IPEDCYCWNUCXRU-JOCQHMNTSA-N 453.341 2.804 50 1 JFGF CO[C@]12O[C@@]3([C@H](CO[Si](C)(C)C(C)(C)C)OC(=O)[C@@H]3[C@@H]1C(=O)Oc1ccccc1)[C@@H]1O[C@@H]12 195411101 UEJGAGUXDUNUSH-SOOXLLGBSA-N 462.571 2.664 50 1 JFGF Nc1ccccc1[C@@]1(CCl)c2cc(O)ccc2C[C@@H](C(=O)O)N1C(=O)[C@@H](N)Cc1ccccc1 963703654 MJKMQMZGKMRMGT-FXSPECFOSA-N 479.964 2.865 50 1 JFGF CC1=NC(=S)N(n2c(CCl)nc3ccccc3c2=O)C(=O)[C@@H]1/N=N/c1ccc(O)c(O)c1 72110195 OHOLMFBRKUBLND-OIUDPUMTSA-N 470.898 2.923 50 1 JFGF O=C(C[C@@H](NC(=O)c1ccccc1)c1cccc(F)c1)N[C@@H](Cc1ccccc1F)B(O)O 195468679 BDJLFTAHKWZOEX-YADHBBJMSA-N 452.266 2.566 50 1 JFGF CCCCCCCCc1ccnc(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 169370065 MULOKPFUKRZOJM-VMUMWLJSSA-N 489.078 2.881 50 1 JFGF CC1(C)SN(Cc2ccccc2)C(=O)[C@@H]1N1C(=O)[C@@H](N2C(=O)c3ccccc3C2=O)[C@@H]1Cl 49783733 QOGFTUVAMGIIMG-OKZBNKHCSA-N 469.950 2.896 50 1 JFGF O=C(c1ccc(SCc2ccccc2B(O)O)nc1)N(C[C@@H]1CCCCN1)c1ccc(F)cc1 223494624 WXIUOEQGHCOEBN-NRFANRHFSA-N 479.386 2.982 50 1 JFGF Cn1c([C@H](CCCNC(=N)CCl)NC(=O)c2cccc3c2C(=O)NC3)nc2ccccc21 1857762483 NQSUJHYBKHMVBF-KRWDZBQOSA-N 452.946 2.874 50 1 JFGF C=C1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@@](CBr)(c2ccccc2)OC1=O 1911586852 RNJBALKQJUIBEW-IBGZPJMESA-N 481.324 2.989 50 1 JFGF COC1=CC(=CNNC(=O)/C(=C\c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)C=C(OC)C1=O 13130535 AYZIIEYQXFBAMH-UDWIEESQSA-N 490.472 2.514 50 3 JFGF CCN1C=C(C(=O)NN)[C@@]2(N[C@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 587764639 AMLBXTNREGCESX-XUSGNXJCSA-N 460.351 2.783 50 1 JFGF O=C(Nc1ccc([C@@]2(CCl)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)cc1)c1ccccc1 963209329 WABRTLVTOFMJOY-WOVHNISZSA-N 489.963 2.902 50 1 JFGF CC(=O)c1ccc(S(=O)(=O)NCc2ccc(-c3nc4cc(C(=O)NN)ccc4[nH]3)cc2)cc1 586944931 RXWZSFGCPJOVNQ-UHFFFAOYSA-N 463.519 2.515 50 1 JFGF CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)c1 618007864 LCVLZYSJYZRSNB-GOSISDBHSA-N 452.646 2.556 50 1 JFGF CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccc(OC(=O)OCc5ccc(B(O)O)cc5)cc34)[C@@H]21 1911578795 NGNSKEVQDRSHEX-RUZDIDTESA-N 497.316 2.710 50 1 JFGF O=CC1=C(SCC(=O)N2CCOCC2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4 45283294 LFKBIBYNXHRRKH-UHFFFAOYSA-N 459.593 2.633 50 1 JFGF O=C1S[C@@H](Cc2ccc(OCc3ccc(B(O)O)cc3)cc2)[C@@H](O)N1Cc1ccc(F)cc1 170143789 MWFUPJUSLRPAFM-XZOQPEGZSA-N 467.327 2.683 50 1 JFGF C[C@@H]1[C@H](OC(=O)CCC(=O)NC[C@@H]2CCCO2)O[C@@H]2O[C@@]3(C)CC[C@@H]4[C@H](C)CC[C@H]1[C@@]24OO3 504673169 FGAZIYTVJQSGPZ-BCFSJIPVSA-N 467.559 2.813 50 1 JFGF biogenic Nc1nccc([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(Oc4ccc(O)cc4)cc32)n1 962928106 RAMZQLKDISVOJU-UWJYYQICSA-N 471.311 2.794 50 1 JFGF CC(C)CN(NC(=O)c1ccc(CN2CCN(C)CC2)cc1)c1nc(C#N)ncc1Br 34891734 VEZZBPBPTOZPBS-UHFFFAOYSA-N 486.418 2.666 50 1 JFGF CCCCCCCCc1ccnc(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 253702029 MULOKPFUKRZOJM-GIFSZLIDSA-N 489.078 2.881 50 1 JFGF CN(C)CCNc1ccc(NCCN2CCC(Cl)CC2)c2c1C(=O)c1c(O)ccc(O)c1C2=O 40575340 NYOHFPXDRQLAEN-UHFFFAOYSA-N 487.000 2.962 50 1 JFGF CN1C(=O)[C@@]23C[C@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@]1(CO)SS3 206082699 XHPIWHHLWCZQEF-QQUTXWOLSA-N 464.572 2.690 50 1 JFGF COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1OC 618008229 VPJILGJALUKGQQ-UHFFFAOYSA-N 455.646 2.615 50 1 JFGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(C(=O)NCCSSCCN(C)C)CC1 618008866 MLBBZULGYXANLK-GOSISDBHSA-N 496.699 2.599 50 1 JFGF COc1ccccc1[C@H]1C(C#N)=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C1C(=O)CCC2 49052820 GAOGLHWDZOGBQJ-NRFANRHFSA-N 450.520 2.647 50 1 JFGF CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)C=C1C=O 257793291 ZQHNREXELVXBCG-AMAZTZNRSA-N 478.626 2.914 50 1 JFGF endogenous,in-man CCO[C@@H]1C[C@@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)C=C1C=O 257793294 ZQHNREXELVXBCG-RWLAPDKLSA-N 478.626 2.914 50 1 JFGF endogenous,in-man Cc1cc(N)c2c(c1)C(=O)C[C@@](CBr)(c1ccc(S(=O)(=O)N3CCOCC3)cc1)O2 587408262 FKHPYAOQQIWWFQ-OAQYLSRUSA-N 495.395 2.854 50 1 JFGF CC(=O)OC[C@@]12[C@H]3[C@@H](CC[C@]1(O)CCl)O[C@@H](C1=CC(=O)OC1)C[C@@]3(C)[C@@H](C)C[C@H]2OC(C)=O 2356419636 YWMLBMVBAIUMOC-ASVMKCLDSA-N 484.973 2.534 50 1 JFGF Cc1ccc(N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C#N)cc2)cc1 13677362 AULHQTICNXXEBN-UHFFFAOYSA-N 473.514 2.535 50 1 JFGF C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1/C(=O)OC[C@H]1OC(=O)CBr 299833592 YSHPDQWUFVHCLZ-FRCKFQSDSA-N 471.388 2.908 50 1 JFGF COC1=C/C(=C\NNC(=O)c2ccc3c(c2)OCCO3)C(Br)=C(Br)C1=O 15837001 QRRZRJROIITNIB-CSKARUKUSA-N 486.116 2.691 50 3 JFGF Cn1c(N)c([C@@]2(CCl)NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)c(O)nc1=O 963832132 LQGQFSMBXZVBBM-XMMPIXPASA-N 465.941 2.757 50 1 JFGF COc1cc2c(cc1OC)[C@@H](c1cc(C)cc(B(O)O)c1)N(C(=O)C(=O)c1c[nH]c3ccccc13)CC2 963808605 SHQYDPHUMNVPOK-AREMUKBSSA-N 498.344 2.530 50 1 JFGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)[C@H](C(=C)C=O)[C@](C)([C@H]1CO1)[C@@H]2OC(=O)C(C)=CC 2356638269 XRPGSFNXFHPXAG-QDMIKROFSA-N 458.507 2.630 50 1 JFGF CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(CCC(N)=O)C(=O)Oc1ccccc1 27653829 TZCCPOYWABEFSE-IBGZPJMESA-N 470.526 2.530 50 1 JFGF CN1C(=O)[C@@]23C[C@@]4(c5c[nH]c6ccccc56)c5ccccc5N[C@@H]4N2C(=O)[C@@]1(CO)SS3 2356470339 XHPIWHHLWCZQEF-HGSOSGBHSA-N 464.572 2.690 50 1 JFGF COc1ccc2nc(Cl)c(/C=N/NC(=O)C3=C(O)c4ccccc4S(=O)(=O)N3)cc2c1 98082767 IFWJELRRAZUCJV-LSHDLFTRSA-N 458.883 2.566 50 1 JFGF CC(C)C[C@H](NC(=O)[C@H](Cc1cccc2ccccc12)NC(=O)c1cnc2ccccc2n1)B(O)O 195099108 ZDDLZWLQJXXNTC-ZCYQVOJMSA-N 484.365 2.667 50 1 JFGF CN(C)S(=O)(=O)c1cccc2nc([C@H](Cc3c[nH]c4ccccc34)NC(=O)CCl)[nH]c12 587009663 OVUBKAVVZGHLCM-KRWDZBQOSA-N 459.959 2.933 50 1 JFGF N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)NCCCCNC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1 13676737 IGXWSZXUYLRHJU-JFMUQQRKSA-N 486.484 2.610 50 1 JFGF CCOc1ccc([C@H]2c3c(C)cccc3C[C@H](CC(=O)O)N2C(=O)OC(C)(C)C)c(B(O)O)c1 963915398 MSTWMNKJPLXAIZ-HXOBKFHXSA-N 469.343 2.799 50 1 JFGF CS(=O)(=O)Nc1sc2c(c1C(=O)NN1C(=O)[C@@H](Cl)[C@H]1c1ccccc1)CCCC2 98082699 LAQNAQPCUPNAKU-JKSUJKDBSA-N 453.973 2.834 50 1 JFGF COc1ccc2c(c1)cc([C@H]1C(C#N)=C(N)N(c3cccnc3)C3=C1C(=O)CCC3)c1nnnn12 299827505 GBGMVSCSSCQLIY-QFIPXVFZSA-N 464.489 2.986 50 1 JFGF CCOC(NNC(N)=O)=C(C(C)=O)[C@H](C)[C@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 2356870366 XQMJFRCSZLZNIM-JZMRDYAWSA-N 453.580 2.842 50 1 JFGF CCO[C@H]1C[C@H]2C3=C(C(C)C)CC[C@]3(C)CC[C@]2(C)[C@H](O[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)C=C1C=O 85927500 ZQHNREXELVXBCG-IXVCRWBBSA-N 478.626 2.914 50 1 JFGF in-man C[C@@H]1[C@H](OC(=O)CCC(=O)N2CCC[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 504506662 FGGBGVLIXGEXDO-HKTAONBNSA-N 481.542 2.593 50 1 JFGF biogenic COC(=O)C[C@H](Br)[C@]1(C(=O)OC)N[C@H](C)Cc2ccc(F)c(Br)c21 587670196 ISAOZVCUNLUEAY-OGOZKOCGSA-N 467.129 2.817 50 1 JFGF CCOC(=O)CN1C(=O)[C@]2(C(C#N)=C(N)OC(c3c[nH]c4ccccc34)=C2C#N)c2ccccc21 53243012 NDGZXCOTVSWNMI-AREMUKBSSA-N 465.469 2.974 50 1 JFGF COc1cc2c(cc1[C@H]1OC[C@]3(O)[C@@H](Oc4c(OC)cccc4OC)OC[C@H]13)O[C@@H](CCl)CO2 103272213 BKURZQDTNXVDHR-PCAKIIJBSA-N 494.924 2.945 50 1 JFGF CCOC(=O)/C(C#N)=C(/NNC(=O)c1cc(OC)c(OC)c(OC)c1)N[C@@H](C)c1ccccc1 38226989 PPIFSUXPNNTMQY-CYNURGJPSA-N 468.510 2.596 50 1 JFGF Cc1nn(-c2ccccc2)nc1C(=O)NN(CC(C)C)c1nc(C#N)ncc1Br 58575088 KYZZUWUDRCLTIL-UHFFFAOYSA-N 455.320 2.807 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@@H](C)Cc3cc(Br)c(F)cc32)c2ccc(C)nc21 587764636 AMLBXTNREGCESX-QKVFXAPYSA-N 460.351 2.783 50 1 JFGF CCN1C=C(C(=O)NN)[C@]2(N[C@@H](C)Cc3ccc(F)c(Br)c32)c2ccc(C)nc21 587769587 OJBJVYGSFWCMQL-LAJNKCICSA-N 460.351 2.783 50 1 JFGF CCOC(=O)NCCSSCCNC(=O)/C(Cc1ccc(O)c(Br)c1)=N/O 14681586 PSFMBZXVOPCKLJ-DEDYPNTBSA-N 480.406 2.771 50 1 JFGF COc1cc(F)ccc1C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1ccccn1 618007909 MRBAVYCFAJSYPE-SFHVURJKSA-N 466.604 2.587 50 1 JFGF C[C@@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H](C(=O)NCCSSCCN(C)C)C1 618012699 XUZBZJLNXFTZLI-QUCCMNQESA-N 496.699 2.599 50 1 JFGF CC(=O)Nc1ccc(C(=O)NN/C=C2\C=C(Br)C=C(Br)C2=O)cc1 13126039 SRKDIRQFOHCKID-DHZHZOJOSA-N 455.106 2.904 50 3 JFGF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1)C(C)C 59201479 FRNAYOACCIICNW-VJBMBRPKSA-N 465.598 2.596 50 1 JFGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1cccc(Cl)c1Cl)B(O)O 1772633156 FYPBLADTANJFRS-OALUTQOASA-N 480.201 2.947 50 1 JFGF Cn1c(CCCC(=O)OCCN2C(=O)C=CC2=O)nc2cc(N(CCCl)CCCl)ccc21 72183826 DDWQUASJLCRUBX-UHFFFAOYSA-N 481.380 2.648 50 1 JFGF CC(=O)OC[C@@]12[C@H]3[C@@H](CC[C@@]1(O)CCl)O[C@@H](C1=CC(=O)OC1)C[C@@]3(C)[C@@H](C)C[C@H]2OC(C)=O 2356419639 YWMLBMVBAIUMOC-XSVRVAIESA-N 484.973 2.534 50 1 JFGF Cc1ccc(C(=O)c2cc(F)c(OCC(=O)NNC(=O)c3ccc(=O)oc3)c(Cl)c2)cc1 1857775369 XAAJSZKRHGJWTD-UHFFFAOYSA-N 458.829 2.812 50 1 JFGF O=C(/C=C(\O)c1ccc(Cl)cc1)C(=O)NNC(=O)C(O)(c1ccccc1)c1ccccc1 8694887 GWQCVBGYWYPRMX-HKWRFOASSA-N 450.878 2.892 50 3 JFGF COc1c[c-](/C=N/NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCC(C)C)cc([N+](=O)[O-])c1=O 169689094 KMDKLDWPIWNPJI-ZKAWIHBPSA-N 496.500 2.607 50 1 JFGF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CCl)(c2c(O)nc(=O)n(C3CC3)c2N)N1 587684265 KMVYMHGBLPGWPJ-DCXZOGHSSA-N 457.731 2.784 50 1 JFGF CCCn1c(N)c([C@]2(CCl)N[C@@H](C)Cc3cc(Br)c(F)cc32)c(O)nc1=O 587685805 RQPMDOYRMKSWMO-NIVTXAMTSA-N 459.747 2.859 50 1 JFGF O=C(O)c1cccc2c1CCN[C@]2(CBr)c1ccc(S(=O)(=O)N2CCCC2)cc1 963124376 PTYICZSFKNAEFG-OAQYLSRUSA-N 479.396 2.954 50 1 JFGF O=C1C2=C(C3=NCCc4c[nH]c1c43)[C@]1(C=CN2)C=C(Br)C(=O)[C@H](Br)C1 2356839057 MFQWIJBVEAJAIA-MLCYQJTMSA-N 463.129 2.929 50 1 JFGF CN(C)CCSSCCNC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3oc2=O)C1 618009341 NHCAQADJCBYKQF-QGZVFWFLSA-N 463.625 2.704 50 1 JFGF OB(O)c1ccccc1CCN1CCN(c2nc(O)c(Cc3ccc(Cl)c(Cl)c3)s2)CC1 1772603888 BMYYEIFBFFDUSE-UHFFFAOYSA-N 492.237 2.791 50 1 JFGF COCc1cc(C)n(CC(=O)N/N=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)c(=O)c1C#N 15979422 DABYXMOPEQALDL-KALUYTGESA-N 482.880 2.937 50 1 JFGF C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/c4ccccc4)cn1c23 103288555 SLTKPBIMQLHAHH-BYEGDDEQSA-N 463.513 2.610 50 1 JFGF CC(C)c1c(C(=O)N/N=C\c2cccc(OCc3ccc(F)cc3)c2)nnn1-c1nonc1N 33362648 AOOWQBCKKYBQGC-GATIEOLUSA-N 464.461 2.838 50 1 JFGF CN(C(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@H]3Br)[C@@H]2C1=O)C1CCCCC1 169689912 YJMSSGMPNZCKDR-GBDRXRSFSA-N 476.209 2.555 50 1 JFGF Cc1ccccc1NC(=O)CN1C(=O)[C@@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@@H](Br)[C@@H]3Br 17376994 GDYYNPPSNRQWIC-AEBUUUDXSA-N 470.161 2.711 50 1 JFGF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@H](OC)[C@H](Br)[C@@]3(Br)CCN(C2)[C@H]13 73417918 BDRBXJGFHDFRJV-CJNLHWCBSA-N 477.193 2.662 50 1 JFGF CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@]2(OC)C=C[C@@]3(C[C@@H]2NC(=O)CBr)[C@H]1C5 96941721 GTWZIHJZYOBNJM-YSSYRNOISA-N 489.410 2.656 50 1 JFGF CN1CCN(Cc2ccc(C(=O)NN(CC3CCC3)c3nc(C#N)ncc3Br)cc2)CC1 58541510 BKOWYIZHXIJHTL-UHFFFAOYSA-N 498.429 2.810 50 1 JFGF CC(=O)Nc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN(C)C)CC2)cc1 618008302 XPPTWFXWNHWLSX-UHFFFAOYSA-N 452.646 2.556 50 1 JFGF CCCC[C@]1(c2cc(B(O)O)ccc2F)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962703651 MLVYCHSTVZFECT-ICSRJNTNSA-N 457.204 2.696 50 1 JFGF Cc1c(Cl)c(O)cc(O)c1C(=O)O[C@H]1C[C@@]2(C)[C@@H]3[C@H](C=C(C=O)[C@@]12O)CC(C)(C)[C@@H]3O 100778440 QXPGYRDUXBYJHG-HMADLLEFSA-N 450.915 2.888 50 1 JFGF endogenous,in-man N#C/C(=C(/O)COC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nc2ccccc2[nH]1 101511688 OIOFKGKFCGYDDZ-QOCHGBHMSA-N 496.545 2.552 50 1 JFGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)c1 95808805 LJHBCBZMVVHYNM-CNHKJKLMSA-N 457.078 2.800 50 1 JFGF O=S(=O)(O)Oc1cccc2c1[C@H](O)[C@@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 199270685 VDITZMXVLPMLRE-CEXWTWQISA-N 450.852 2.661 50 1 JFGF COc1ccc([C@@H]2C(C#N)=C(N)Oc3nc(Nc4ccc(S(N)(=O)=O)cc4)sc32)cc1 84668547 BNCBFGHVMPBYLK-MRXNPFEDSA-N 455.521 2.761 50 1 JFGF CC(C)[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 504744064 FSIOKLOIJYBYHX-LIRQROMFSA-N 483.558 2.743 50 1 JFGF biogenic C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(=O)C(C)=CC)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356427594 GHOJZPMHDHAHHX-CLAROIROSA-N 458.507 2.678 50 1 JFGF COc1ccc(Cl)cc1C#Cc1cc(I)c(OC)c(C(=O)NN)c1 587918018 YQYXQWKZQYOWRM-UHFFFAOYSA-N 456.667 2.965 50 1 JFGF NNC(=O)c1cc(Cl)cc(C(=O)n2nc(-c3ccccc3)c3cc(F)c(F)cc3c2=O)n1 587654767 ZLSMXXWKKHBOAJ-UHFFFAOYSA-N 455.808 2.682 50 1 JFGF CCOC(=O)/C(C#N)=C/C(=C(\O)c1cc(OC)c(OC)c(OC)c1)[n+]1ccc(N(C)C)cc1 205878852 FUVFSGJZFRTNGL-UHFFFAOYSA-O 454.503 2.963 50 1 JFGF C[C@H](C(=O)N[C@@H](CSSCCN(C)C)C(=O)NCc1cccnc1)c1ccc(O)cc1 618007601 BNROQGYVFAOPPM-JXFKEZNVSA-N 462.641 2.635 50 1 JFGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)N[C@H](C)Cc2cc(Br)c(F)cc21 587671491 SIXOYZGWCSBEGU-GOJPBDGNSA-N 467.129 2.817 50 1 JFGF COc1cc(OC)c([C@@]2(CBr)N[C@H](C(=O)O)Cc3ccc(O)c(C)c32)c(OC)c1 963550457 MHFYZDZHQJBBOF-QKKBWIMNSA-N 466.328 2.964 50 1 JFGF COc1cc(CCNC[C@H](O)c2ccc(O)c(O)c2)ccc1OCCSSCCN 1857607646 XAVLDLCPQZOBOQ-IBGZPJMESA-N 454.614 2.691 50 1 JFGF O=C1C=C/C(=C\NNC(=O)CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)C(O)=C1 22919341 SVIWXJJDKSMWSC-BSYVCWPDSA-N 458.562 2.869 50 3 JFGF Cc1ccc(Nc2nc(NNC(=O)Cc3ccccc3)nc(NNC(=O)c3ccncc3)n2)cc1 1637781 ZEZUJBJARBIJTL-UHFFFAOYSA-N 469.509 2.761 50 1 JFGF COc1ccccc1NS(=O)(=O)c1cccc(C(=O)N/N=C\c2ccc(OCC(=O)O)cc2)c1 33381240 WDWKKZPCBHQRKS-OYKKKHCWSA-N 483.502 2.723 50 1 JFGF N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H](n2nc(C#CCOc3ccccc3)c3c(N)ncnc32)C1 1857541721 JADSPPIWPBULLN-IAERKFLBSA-N 467.533 2.862 50 1 JFGF C[C@]12CC[C@H]3[C@@H](CC[C@@]4(O)C[C@@H](OC(=O)CCl)CC[C@]34C=O)[C@]1(O)CC[C@H]2C1=CC(=O)OC1 2356750882 LFDSJZUWJKJWAH-UBACXSKZSA-N 480.985 2.688 50 1 JFGF CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4oc(CCl)cc(=O)c4O)CC3)cc21 96930191 AYCLMSCCPXAMAU-UHFFFAOYSA-N 491.903 2.579 50 1 JFGF CN(C(=O)CN1C(=O)[C@H]2[C@H]3C[C@@H]([C@@H](Br)[C@@H]3Br)[C@@H]2C1=O)C1CCCCC1 169301560 YJMSSGMPNZCKDR-MXWNMBBBSA-N 476.209 2.555 50 1 JFGF COC(=O)C(=O)[C@@H](Cl)[C@]1(C2CC2)c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1N 963161574 UIYBMRHMKGFJRT-RDGATRHJSA-N 486.952 2.939 50 1 JFGF COc1cc2c3c(c1)O[C@](CI)(CN1C(=O)c4ccccc4C1=O)[C@@H](C2)C3=O 587430144 YQIASOIDHGCCGF-YCRPNKLZSA-N 489.265 2.913 50 1 JFGF CC(C)C[C@@H](NC(=O)c1cccc(-c2ccc(S(C)(=O)=O)cc2)c1)C(=O)N(C)N(C)C#N 1857555035 MKAMNFYJFXAVNX-OAQYLSRUSA-N 456.568 2.688 50 1 JFGF O=S(=O)(O)Oc1cccc2c1[C@H](O)[C@H](Cl)[C@@H](O)C21Oc2cccc3cccc(c23)O1 2356419501 VDITZMXVLPMLRE-GBESFXJTSA-N 450.852 2.661 50 1 JFGF COC(=O)[C@@H]1C[C@]2(C(=O)O)c3ccccc3N(OOSc3ccccc3)[C@@H]2N1C(=O)OC 59889085 NSTGRUBPLDMSPS-MDKPJZGXSA-N 460.464 2.739 50 3 JFGF