smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features C[C@H](O)[C@](C)(O)C(=O)O[C@H]1CC[C@]2(C)CC(=O)C(C(C)(C)OO)=C[C@@H]2[C@]1(C)O 238760663 MLLOCJWECGZDNQ-JIKVDGBQSA-N 400.468 1.365 50 1 HDGF COc1ccc(S(=O)(=O)N(CCCl)NS(=O)(=O)c2ccccc2)cc1 26251979 IJPYRGLMZCYYBH-UHFFFAOYSA-N 404.897 1.818 50 1 HDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 101752098 DPWIQDDMAGJYNA-KIFOCNBLSA-N 415.855 1.286 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)C(=O)OC(C)(C)C)c1cccc(F)c1)B(O)O 195475145 NZVDABQZEYHDLG-CVEARBPZSA-N 424.278 1.258 50 1 HDGF C=C(CO)C(=O)O[C@H]1C/C(COC(C)=O)=C/CC/C(C=O)=C\[C@H]2OC(=O)C(=C)[C@H]12 144062936 NVEYSKFDXKUOIS-KNFZQGANSA-N 404.415 1.343 50 1 HDGF Cc1ccccc1NC(=O)/C(=N/NC(=O)CC#N)[C@H]1C(=O)N(c2ccccc2)N=C1N 17191931 YLUYSEGYTYPHBT-SJOXAGSUSA-N 417.429 1.255 50 1 HDGF C=C1C(=O)O[C@@H]2[C@H]3C(C=O)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 15110410 JRVDJWWCTWHLPD-XGARDCMYSA-N 408.406 1.989 50 1 HDGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414613 NKRNRNZKPSJEMV-YOIRWDDOSA-N 413.220 1.681 50 1 HDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(F)c(B(O)O)c(F)c3)N12 962660376 HGXVGIPXEYZBJK-RXVVDRJESA-N 412.201 1.381 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@@H]1C[C@@H](O)[C@@H](CCl)O1 26646333 YYHSTHHJNVFONA-ZBUJUXFTSA-N 402.636 1.077 50 1 HDGF COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1 40408765 NQHHVWHZFBPDRH-UHFFFAOYSA-N 403.416 1.135 50 1 HDGF COC1(OC)C(Br)=C[C@](O)(CC#N)[C@H](OC(C)=O)[C@@H]1Br 2356792083 JHHXWODAWSIAOW-HBNTYKKESA-N 413.062 1.608 50 1 HDGF Cc1ccc(S(=O)(=O)NNC(=O)COc2ccc3c(C)cc(=O)oc3c2)cc1 103175608 IDUXUNCJHHFLTO-UHFFFAOYSA-N 402.428 1.798 50 1 HDGF C=C[C@]1(C)[C@@H]2OC(=O)C(=C)[C@H]([C@@H](OC(=O)[C@@](C)(O)CC)[C@H]1C(=C)C=O)[C@H]2OC(C)=O 15108122 UWNPZJZWGPJILE-XGTBZJOHSA-N 420.458 1.666 50 1 HDGF Cc1cc(B(O)O)ccc1[C@@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925954 KKRJYVUVQFYRSO-VXKWHMMOSA-N 419.242 1.861 50 1 HDGF CC(C)n1ccnc1[C@]1(CCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963221207 NHYDLOKXOFGKGT-NJSLBKSFSA-N 402.886 1.427 50 1 HDGF C=C(C)C(=O)O[C@H]1/C(C=O)=C\CC/C(COC(C)=O)=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 101403917 WUJZEZUWGBTPIX-AMVJFLEGSA-N 404.415 1.342 50 1 HDGF O=C(CBr)NCCc1nc2ccc(S(=O)(=O)C(F)(F)F)cc2[nH]1 586971126 MHUAMSCZMRLRRU-UHFFFAOYSA-N 414.203 1.910 50 1 HDGF CN(C)CCSSCCCNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 618008360 FHUMAFRJRJLATC-INIZCTEOSA-N 415.581 1.723 50 1 HDGF O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cccc(B(O)O)c2F)N1 963171669 BPKNGGNVZYZDAQ-NHYWBVRUSA-N 417.551 1.866 50 1 HDGF CC(C)C[C@H](NC(=O)c1ccc(F)c([N+](=O)[O-])c1)C(=O)N[C@@H](CC(C)C)B(O)O 1857541878 IZYFKBSMYSIBHP-HOCLYGCPSA-N 411.239 1.421 50 1 HDGF CCOC(=O)CC(=N)N(NC(=O)CC#N)c1nc(-c2ccccc2)c(C#N)c(=O)n1C 103135986 OBLPKUJYKRQMGL-UHFFFAOYSA-N 421.417 1.001 50 1 HDGF Cc1cccc(NNC(=O)c2ccccc2NS(=O)(=O)c2cnc(O)nc2O)c1 1857749872 VGEZXTIFTIQSHC-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF CCC[C@@H]1CCCCC[C@H](O)CC(=O)N[C@H]2CSSC[C@@H](NC2=O)C(=O)O1 2356720899 MVEXFNFRQDFJIE-LJISPDSOSA-N 418.581 1.778 50 1 HDGF CCOC(=O)NNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C 13491226 CCIRNXXUWFWJAR-KBPBESRZSA-N 416.519 1.844 50 1 HDGF in-vivo Cc1ccc(S(=O)(=O)NCC(=O)NCCCSSCCN(C)C)cc1 618009340 VTUNCOQVKMZGOR-UHFFFAOYSA-N 405.611 1.723 50 1 HDGF COc1ccc(OC)c2c1C[C@@H](C)N[C@@]21C(C=O)=C2C=C(C)OC=C2[C@H](O)[C@@]1(C)O 963612577 SLXBEHPQNASCHE-DXSAMWQASA-N 413.470 1.872 50 1 HDGF C=C1[C@H](OC)O[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 2356598447 PZLXIRWNABRWFB-RLJALQDLSA-N 406.859 1.113 50 1 HDGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@@]3(NC(=O)CBr)[C@H]1C5 29480646 HWJKYMCMEIOBFC-WEZQJLTASA-N 419.275 1.040 50 1 HDGF NS(=O)(=O)c1ccc(C(=O)NN=C2C(=O)Nc3ccc(Br)cc32)cc1 1857648958 IOGVSTUWIYEBFB-UHFFFAOYSA-N 423.248 1.183 50 1 HDGF CC(=O)NC[C@H]1CN(c2ccc(N3CCN(C(=O)CCl)CC3)c(F)c2)C(=O)O1 96922448 OTLAMOAAUUSCST-AWEZNQCLSA-N 412.849 1.174 50 1 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@H]4C5)nc(Cl)nc32)[C@@H]1O 261118307 JCAVHDDDZIXFHB-MAPPUZPOSA-N 414.293 1.938 50 1 HDGF C=C1[C@H](OCC)O[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@@H](OC(C)=O)[C@@]2(O)CCl 2356696478 BICLPYSYJBRDPW-IGERKEGBSA-N 420.886 1.503 50 1 HDGF NS(=O)(=O)c1ccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)cc1 96908815 ARXPVLLOEPIRMA-UHFFFAOYSA-N 420.882 1.975 50 1 HDGF C[S@@](=O)CC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 169326930 BYEWHLWQVFDJEE-CFAZGSRYSA-N 418.606 1.523 50 1 HDGF NC[C@@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C[C@H]1Cl 27629761 BBFRVFWKXXFZAL-LDYMZIIASA-N 423.857 1.682 50 1 HDGF COC[C@H]1CN(C(=S)SSC(=S)N2CCO[C@@H](COC)C2)CCO1 1772656616 LXGCZPRUFNFYOU-VXGBXAGGSA-N 412.624 1.632 50 1 HDGF CC[N+]1(C[C@@]2(c3cc(B(O)O)ccc3Cl)NCCc3ccc(F)c(C)c32)CC1 962093021 OKYASBWETUGQPC-NRFANRHFSA-N 403.714 1.707 50 1 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@@H]1O 101211632 JCAVHDDDZIXFHB-HUEHNEAKSA-N 414.293 1.938 50 1 HDGF Cc1c(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cnn1CCC(=O)NN 587881391 LAQOEPRMPJJBSR-UHFFFAOYSA-N 408.289 1.589 50 1 HDGF CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(F)c([N+](=O)[O-])c1)B(O)O 1857541876 IZYFKBSMYSIBHP-GDBMZVCRSA-N 411.239 1.421 50 1 HDGF CSCC[C@@H](NC(=O)c1ccnc2ccccc12)C(=O)N1CCC[C@H]1B(O)O 170184729 AHJACGWELFVRGL-SJORKVTESA-N 401.297 1.089 50 1 HDGF COc1ccc(S(=O)(=O)NNC(=O)c2cc(F)cc(-n3cccn3)c2)c(F)c1 1857617018 IKPGKEYLFPWBJY-UHFFFAOYSA-N 408.386 1.782 50 1 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccncc2)nnn1-c1nonc1N 61878117 CTVWYXHTCKSSDE-NHDPSOOVSA-N 412.458 1.013 50 1 HDGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O 103196956 TVZDRBHKIVGOEI-SJORKVTESA-N 416.305 1.275 50 1 HDGF O=C(N/N=C/N1C=c2cnoc2=CC1)c1cnc2c(C(F)(F)F)cccc2c1O 73138942 GCFFGSWCVWQINH-NUGSKGIGSA-N 403.320 1.155 50 1 HDGF N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@]12C(=O)Nc1ccc(Br)cc12 98083899 VAVLBDWJSBBIPF-OAHLLOKOSA-N 418.232 1.519 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1cccc(F)c1)B(O)O 195466464 SOIUTSGYGZRPEX-ROUUACIJSA-N 401.247 1.625 50 1 HDGF CC=C(CO)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C=CC(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@@H]21 2356457906 BIFNFWDORRWVPK-AZMYGXNZSA-N 412.866 1.412 50 1 HDGF C/C=C(\CO)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2/C=C\C(C)=C/[C@H]2OC(=O)[C@](O)(CCl)[C@H]21 238740902 BIFNFWDORRWVPK-HARQWDQXSA-N 412.866 1.412 50 1 HDGF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@@]3(NC(=O)CBr)[C@H]1C5 169312163 HWJKYMCMEIOBFC-VUKOWNLVSA-N 419.275 1.040 50 1 HDGF CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@@]3(NC(=O)CBr)[C@@H]1C5 100708250 HWJKYMCMEIOBFC-ZQEOTTOMSA-N 419.275 1.040 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/COC(=O)/C(C)=C\C=O)CC/C=C(\CO)C[C@@H](OC(C)=O)[C@@H]12 238770377 XUHYPIDKUUNCKX-JKAFNXGTSA-N 418.442 1.733 50 1 HDGF Cc1cc(=O)oc2cc(OCC(=O)NNS(=O)(=O)c3ccc(F)cc3)ccc12 103175611 PRLRGZPJJMXBSY-UHFFFAOYSA-N 406.391 1.629 50 1 HDGF Cc1cnc(N2CCOCC2)c(Cn2cc(/C=N/NC(=O)c3ccc(F)cc3)nn2)c1 299867235 XSUBIIJJSIMWOO-WYMPLXKRSA-N 423.452 1.769 50 1 HDGF COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)cc1 1857590161 APNFWTDCASFEPN-PMACEKPBSA-N 412.295 1.579 50 1 HDGF Nc1nc(OCc2cccc(CNC(=O)N(CCCl)N=O)c2)c2[nH]cnc2n1 223192092 GVMAIDVNRQTZES-UHFFFAOYSA-N 404.818 1.946 50 1 HDGF O=C(Cn1nc(Cc2cccs2)n(/N=C/c2ccco2)c1=O)N/N=C/c1ccco1 299825951 DEJVXYUOFANOOV-HGEIODPWSA-N 424.442 1.916 50 1 HDGF CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)OCCBr 13650615 ILDHXYXFZOARAP-IHRRRGAJSA-N 421.332 1.385 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)C(=O)OC(C)(C)C)c1cccc(F)c1)B(O)O 195475152 NZVDABQZEYHDLG-HOTGVXAUSA-N 424.278 1.258 50 1 HDGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587376893 YLVMQFGBPRTPGU-BLLLJJGKSA-N 400.225 1.781 50 1 HDGF O=C(NN=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C\c1ccccc1 254016540 LIXQPTNMBCCLLW-UEVTVCPASA-N 406.442 1.339 50 3 HDGF CC(C)(C)O[C@@H]1O[C@H](CN(C(=O)NCCCl)C2CCCCC2)[C@H](O)[C@H](O)[C@@H]1O 2356340589 SSPJXSLTNGJRDQ-XAJHFOFHSA-N 422.950 1.192 50 1 HDGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1[C@H]2COC(C=CC=O)=CC2=CC(=O)[C@@]1(C)O 2356462360 OKIVTNBUGXLXFX-NYSBEXSLSA-N 400.383 1.477 50 1 HDGF COc1cc(/C=N/NC(=O)Cn2c(=O)c(C)nc3ccccc32)cc(OC)c1OC 207930359 CCJXOUGUGVWDMQ-SSDVNMTOSA-N 410.430 1.881 50 1 HDGF C=C(CO)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCCC(C)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356477125 XMNUDDSNCGBGOZ-MANSERQUSA-N 404.415 1.342 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CCl)[C@H](O)[C@@H]1O 27106160 RFSPFAGKJHMAJN-CDKDABTNSA-N 403.870 1.727 50 1 HDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCN(C)CC1 618018246 WRJVWLRSUQZNGZ-WBVHZDCISA-N 416.657 1.767 50 1 HDGF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1cccc(-c2ccccc2)c1)[C@@H](C)O)B(O)O 195333324 MEQCWJHKGFDFBD-XPGWFJOJSA-N 412.295 1.376 50 1 HDGF CCO[C@@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1n1ccc(=O)[nH]c1=O 195514455 VPXFRHSNKICYPX-RZLSGREXSA-N 400.548 1.612 50 1 HDGF COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-c2ncccn2)c1 1857553171 NAZYKBWXMCHEDM-UHFFFAOYSA-N 402.407 1.915 50 1 HDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 27656871 DCATUCBGDGFFMP-SSBZYEIASA-N 400.855 1.344 50 1 HDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 5641150 DCATUCBGDGFFMP-ZNXONEHFSA-N 400.855 1.344 50 1 HDGF C=C1C(=O)O[C@@H]2C3=C(C)[C@H](OO)C[C@H]3[C@](C)(O)[C@H](OC(C)=O)[C@H](OC(=O)C(C)C)[C@@H]12 95909512 OFHMKIYDWRVFAN-SHTDPRGMSA-N 424.446 1.543 50 1 HDGF biogenic,in-vitro C=C1[C@H](OC)O[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)CCl 2356598445 PZLXIRWNABRWFB-MACGOEAWSA-N 406.859 1.113 50 1 HDGF COC1=CC(=O)[C@@]2([C@@H]1OC)[C@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C 2356397682 QHDJUCISALFSTI-VNNQNFERSA-N 411.882 1.650 50 1 HDGF CC(C)[C@]1(O)[C@H](Cl)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]23[C@]12CO2 96903606 HOYGMMCRBZAMJV-PDOWTACFSA-N 408.878 1.712 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 523041415 ARCCFNGRPFPGMT-BPPDEAECSA-N 418.442 1.971 50 1 HDGF biogenic N#Cc1ccc(C(=O)N2CCN(CC(=O)N/N=C/c3cc(F)ccc3O)CC2)cc1 149806636 HZYBKQWKXIBZDM-ZMOGYAJESA-N 409.421 1.311 50 1 HDGF CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@]1(=O)N(CCCl)CCCl 299847203 YAPVFEGQYSAXCE-MLMJSJRWSA-N 415.232 1.388 50 1 HDGF C[C@]1(c2ccc(B(O)O)s2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691157 BEGASNDWNNEKQS-NHYWBVRUSA-N 403.162 1.448 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@H](CCl)[C@@H](O)[C@H]1O 49109725 RFSPFAGKJHMAJN-WXIDQOIMSA-N 403.870 1.727 50 1 HDGF CC(C)C[C@H](NC(=O)CNC(=O)Nc1cccc(OCc2ccccc2)c1)B(O)O 1772579774 IHJPUMCYHQTMKG-IBGZPJMESA-N 413.283 1.930 50 1 HDGF COc1ccc([C@H](CC(=O)O)CC(=O)NNC(=O)c2cccc(NC(=N)N)c2)cc1 13862962 XJRPJRUXGLBKPY-AWEZNQCLSA-N 413.434 1.410 50 1 HDGF CCOc1ccccc1NC(=O)C(=O)NN/C=C1\C=C(Br)C=CC1=O 15953263 YTKGRVOQHPBEEU-ZHACJKMWSA-N 406.236 1.946 50 3 HDGF O=C(CNNC(=O)c1ccncc1)COc1ccc(/C=C2\SC(=O)NC2=O)cc1 205992725 XVYZBRWPCFGVGF-SXGWCWSVSA-N 412.427 1.288 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O 100780131 IYBZGGXFPLMHRX-OIYIXKRASA-N 416.898 1.655 50 1 HDGF endogenous,in-man CCO[C@@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1n1ccc(=O)[nH]c1=O 195514457 VPXFRHSNKICYPX-TTZDDIAXSA-N 400.548 1.612 50 1 HDGF N#CC1(O)CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1 95584795 XOBZQRSYGLQQEK-ZDUSSCGKSA-N 404.377 1.437 50 1 HDGF C=C[C@]1(C)[C@@H]2OC(=O)C(=C)[C@H]([C@@H](OC(=O)C(C)(C)O)[C@H]1C(=C)C=O)[C@H]2OC(C)=O 238760378 YLSANYPALPIPQU-DPJABTMTSA-N 406.431 1.276 50 1 HDGF COc1cccc(S(=O)(=O)NNC(=O)c2cc(F)cc(-n3cccn3)c2)c1F 1857601580 QEHDCKLHHLECPW-UHFFFAOYSA-N 408.386 1.782 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@@H]12 2356576383 YRUNQVZUGKDPML-YNDNJQNWSA-N 420.458 1.812 50 1 HDGF O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 96900176 ZPQSTLISGFTVIJ-UZYVYHOESA-N 409.402 1.365 50 1 HDGF Cc1cnc(C(=O)N2CCC[C@H](C(=O)NCCSSCCN(C)C)C2)cn1 618007814 JMGJTFLPGCWSRD-HNNXBMFYSA-N 411.597 1.696 50 1 HDGF Cc1ccccc1NNC(=O)c1ccc(NS(=O)(=O)c2cnc(O)nc2O)cc1 1857750463 LZHADIFHMFJIHK-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF C/C(=N\NC(=O)CNC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 13571799 ISPHKNKVHXGVDP-QMFLXTPQSA-N 411.414 1.254 50 1 HDGF Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2Cc1nc2ccc(C(=O)NN)cc2[nH]1 587121068 QFPDFJKWTUNGKZ-UHFFFAOYSA-N 419.367 1.590 50 1 HDGF O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1B(O)O)N1CCc2ccccc2C1 1772623933 HDPQPDYEPOOEJE-SFTDATJTSA-N 421.306 1.369 50 1 HDGF CCCc1c(O)ccc2c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l)[C@@]12C[C@@H](c1ccoc1)O[C@H]2O 238762421 BANUAIXXNPGYQT-JWGOJJEUSA-N 414.882 1.374 50 1 HDGF CCC[C@H]1CCCCC[C@H](O)CC(=O)N[C@H]2CSSC[C@@H](NC2=O)C(=O)O1 2356720900 MVEXFNFRQDFJIE-ZQDZILKHSA-N 418.581 1.778 50 1 HDGF CCc1ccc(OCC(=O)NNC(=O)CNC(=O)c2ccc(Br)o2)cc1 16507236 DJYZZWISOZTINA-UHFFFAOYSA-N 424.251 1.561 50 3 HDGF C[C@@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962711260 LVOROUZUGLYPLI-PBHICJAKSA-N 408.141 1.184 50 1 HDGF C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1 2356421914 YXJQVTXJJRAVFR-XRAHFOJTSA-N 416.511 1.521 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@@H](CC(=O)O)c2ccc(Cl)cc2)c1 1550484 BGDLLUWAZFBMGD-AWEZNQCLSA-N 418.841 1.805 50 1 HDGF CCOCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@@H](OC(C)=O)[C@@]2(O)CCl 2356490066 VMZLNLZWQUOSNR-DBDQLMEASA-N 420.886 1.505 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 2356674806 VCPNHYSAQVYFHQ-XWSJACJDSA-N 406.431 1.422 50 1 HDGF NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCC[C@H]1c1ccccc1)B(O)O 170115100 ZKMXALCSOYMAJT-YRPNKDGESA-N 415.343 1.187 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)CN(C)C(=O)c1ccccc1 618007961 OIPKUACSIVZBMA-HNNXBMFYSA-N 413.565 1.359 50 1 HDGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)cc(B(O)O)c2)N1 962708574 ZSBXMYIOFKMTDK-GJZGRUSLSA-N 417.551 1.866 50 1 HDGF Cc1nn(CCCCl)c(C)c1[C@@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963223352 PYZNJZNLJGCQJQ-RLFYNMQTSA-N 416.913 1.699 50 1 HDGF O=C(Cc1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1 1772597681 ASHXJESGFZSMJQ-UHFFFAOYSA-N 407.197 1.998 50 1 HDGF CC(=O)OCC1=C2[C@@H](OC(=O)C(C)C)C/C(C=O)=C\CC[C@@]3(C)O[C@@H]3[C@@H]2OC1=O 238749598 KHZBZZREMZHCQN-ASETZYEKSA-N 406.431 1.806 50 1 HDGF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 587266929 QMNKACORQYMBGN-AYVTZFPOSA-N 415.366 1.517 50 1 HDGF CN1N=C[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](Cl)C1=O 963141926 LEDYAMZCNAKDIB-YNHOBRIKSA-N 414.871 1.650 50 1 HDGF O=C(CNC(=O)c1ccc2c(c1)OCO2)NN/C=C1\C=C(Br)C=CC1=O 15880034 AHTXYWUUHZQVDH-YRNVUSSQSA-N 420.219 1.068 50 3 HDGF C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/O)cn1c23 103290978 XECJTZCQCALEON-NSHDSACASA-N 403.414 1.077 50 1 HDGF O=C(NOCCO)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 44018349 FSVQXWDREPQCLW-UHFFFAOYSA-N 411.198 1.441 50 1 HDGF CS(=O)(=O)c1cc(-c2nc3ccc(C(=O)NN)cc3[nH]2)cc([N+](=O)[O-])c1Cl 586926333 NMGWABUSUVWHQF-UHFFFAOYSA-N 409.811 1.799 50 1 HDGF CCCc1cc(=O)oc2c1c(OCCN1CCOCC1)cc1oc(C(=O)NN)cc12 299854604 ANDBBVPBLCRODP-UHFFFAOYSA-N 415.446 1.806 50 1 HDGF CNc1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2C#N)cc1 473107730 JYWXPSYNTSKWBL-UHFFFAOYSA-O 401.359 1.781 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)CNC(=O)c1cccc(C)c1 618008313 XVHMCRCAFRPTSR-HNNXBMFYSA-N 413.565 1.326 50 1 HDGF CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCCCN1CCOCC1)[C@@H](Br)C2=O 102725471 FIGCLBPFTABCJB-KKXDTOCCSA-N 401.345 1.984 50 1 HDGF CCC(=O)OCc1cn(CCOc2ccc(/C=N/NC(=O)c3ccncc3)cc2)nn1 169346135 HSVPOISJKKLMJQ-YDZHTSKRSA-N 422.445 1.969 50 1 HDGF O=C(N[C@@H](C(=O)N1CCC[C@H]1B(O)O)c1ccccc1)c1ccnc2ccccc12 170184714 IEPIMPQGZYJFTN-VQTJNVASSA-N 403.247 1.709 50 1 HDGF N#C/C(=C\c1cccc(O)c1)C(=O)NCCNC(=O)/C(C#N)=C/c1cccc(O)c1 13676668 GNMZUJHMBZQWGE-BEQMOXJMSA-N 402.410 1.844 50 1 HDGF C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1C=C[C@](C)(OO)CC1 2356421912 YXJQVTXJJRAVFR-JHRQTXSFSA-N 416.511 1.521 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@]21O 2356477395 VCAKAFVZYNRGKS-SHBKNEMZSA-N 412.866 1.004 50 1 HDGF CO/C(O)=C(/C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(C)=O 101244273 BRCSPEHNUIARNQ-UKZISERJSA-N 401.463 1.773 50 1 HDGF C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1 200177929 YXJQVTXJJRAVFR-OEPHTQQHSA-N 416.511 1.521 50 1 HDGF CC=C(CO)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C=CC(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@@H]21 2356457911 BIFNFWDORRWVPK-VFYSCCARSA-N 412.866 1.412 50 1 HDGF Cc1ccc(S(=O)(=O)N(C)CC(=O)NCCSSCCN(C)C)cc1 618008616 ILLXUMCGZWWLEP-UHFFFAOYSA-N 405.611 1.675 50 1 HDGF CC1(C)[C@]2(C(=O)NCCCN3CCOCC3)CC[C@@]1(C)C(=O)[C@@H]2Br 13133136 FIGCLBPFTABCJB-DOPJRALCSA-N 401.345 1.984 50 1 HDGF CCCC[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1cccc(OC)c1)B(O)O 195470959 GRQSQTHOHJUPDC-OALUTQOASA-N 413.283 1.638 50 1 HDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@H](c2cc(OCc3ccccc3)ccc2B(O)O)N1 962891276 DDCJPLXNFLHHMI-RBBKRZOGSA-N 421.233 1.773 50 1 HDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CC[C@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]21 2356618115 GAWRDTKAAVLEAK-WPJCTDPYSA-N 406.431 1.026 50 1 HDGF COc1ccc(/C=N/NC(=O)Cn2nnnc2-c2ccc3c(c2)OCO3)c(OC)c1 103225677 QJROMVXNDQLKQE-AWQFTUOYSA-N 410.390 1.236 50 1 HDGF O=C(O)CC[C@H](NC(=O)Cc1ccc(N(CCCl)CCCl)cc1)C(=O)O 43649042 NDRVGNAXHVEYNV-AWEZNQCLSA-N 405.278 1.947 50 1 HDGF NNC(=O)c1ccc2nc(CCC(=O)Nc3nnc(-c4ccncc4)s3)[nH]c2c1 587023737 GNKCAGPKNVZVPR-UHFFFAOYSA-N 408.447 1.651 50 1 HDGF CC1=C(N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)C(=O)c2ccccc2C1=O 1772633246 MVLDUQFVEBMRFF-ROUUACIJSA-N 414.311 1.887 50 1 HDGF O=C1C[C@H](O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356606482 RGQPWBYRWFJZDN-UXHICEINSA-N 404.538 1.737 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCC[C@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 2356400481 AIMNWAPJFFOMOT-WPJCTDPYSA-N 404.415 1.580 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1cc(=O)c2ccccc2[nH]1 618007913 MYXMQHQBABMYTE-HNNXBMFYSA-N 409.533 1.743 50 1 HDGF CN1N=C[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@@H](Cl)C1=O 963141912 LEDYAMZCNAKDIB-KCWFYHRYSA-N 414.871 1.650 50 1 HDGF COc1cc(Br)c([C@@H](N)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 586976587 WKUPNAFKXOVELT-OAHLLOKOSA-N 420.267 1.994 50 1 HDGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1[C@@H](OO)C=C(C)[C@@H]12 95911938 YQVFFAZLLFZLMF-HLKRSRKKSA-N 424.446 1.399 50 1 HDGF biogenic,in-vitro O=C(O)[C@@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cccc(B(O)O)c2F)N1 963171674 BPKNGGNVZYZDAQ-XHDPSFHLSA-N 417.551 1.866 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@@H](CCl)[C@H](O)[C@H]1O 36273190 RFSPFAGKJHMAJN-JRIORXAOSA-N 403.870 1.727 50 1 HDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@](CBr)(C(=O)CBr)N1 962900561 IVQDJWLKRFZUTO-ZANVPECISA-N 409.049 1.979 50 1 HDGF O=C(NNc1ccccc1F)c1cccc(NS(=O)(=O)c2cnc(O)nc2O)c1 1857630404 KAXRPPCZFOFNHX-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF O=C(NNc1ccc(F)cc1)c1ccccc1NS(=O)(=O)c1cnc(O)nc1O 1857631797 HTBWGXXUVGWVAO-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1 103197039 XBNLYUYJVIJYAM-SJORKVTESA-N 400.306 1.569 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)C(C=O)=CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 299809727 QCTYKEDNIPKZDW-VMXHOPILSA-N 404.415 1.340 50 1 HDGF COc1cc(C(=O)N/N=C2\C(=O)Nc3ccc(NC(C)=O)cc32)cc(OC)c1OC 43014089 JDNVLKHRVFTSII-UHFFFAOYSA-N 412.402 1.757 50 1 HDGF CSC(=S)N(C)NC(=O)c1cccc(C(=O)NN(C)C(=S)SC)n1 1634529 OUANBUWDNZXOSX-UHFFFAOYSA-N 403.580 1.531 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@H]12 2356521492 ARCCFNGRPFPGMT-MDCLJYLWSA-N 418.442 1.971 50 1 HDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@]12CO2 100954573 DCATUCBGDGFFMP-CWMWYVAESA-N 400.855 1.344 50 1 HDGF Cc1cc(Br)ccc1OCC(=O)NNC(=O)C(=O)Nc1ccccc1 5535496 ROCSUAWUAGTDPP-UHFFFAOYSA-N 406.236 1.922 50 3 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2cccs2)nnn1-c1nonc1N 15895319 XYSIGAYVYVZRGR-GRSHGNNSSA-N 417.499 1.680 50 1 HDGF C[C@@]12OC(=O)[C@]1([C@@H](O)[C@@H]1C=CCCC1)NC(=O)[C@@H]2CCI 13644586 JAZCCWDRHBENHK-SHTIJGAHSA-N 405.232 1.329 50 1 HDGF Cc1c(I)cnn1[C@@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 587181879 GQXHGCIXBFVTJS-QMMMGPOBSA-N 410.219 1.885 50 1 HDGF O=CC1=COc2ccc(F)cc2[C@]12c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963200435 DKPAAAKILFPWHN-QYWGDWMGSA-N 408.389 1.026 50 1 HDGF NC[C@H]1CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3-c2nccs2)C[C@H]1Cl 27629767 BBFRVFWKXXFZAL-GZMMTYOYSA-N 423.857 1.682 50 1 HDGF C#CCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)C=C)cc1)NC(=O)[C@@H](Cl)CC 96174894 MLSGHKMFWALFAF-HOTGVXAUSA-N 412.895 1.333 50 1 HDGF Nc1nonc1-n1nnc(C(=O)NN/C=C2\C=Nc3ccccc32)c1-c1ccccc1 15933996 WVQGWZXDKKFEMB-ACCUITESSA-N 413.401 1.891 50 3 HDGF O=CC1=COc2ccc(F)cc2[C@@]12c1[nH]cnc1C[C@H]1C(=O)N3CCC[C@H]3C(=O)N12 963200427 DKPAAAKILFPWHN-CKJXQJPGSA-N 408.389 1.026 50 1 HDGF C=C(CO)C(=O)O[C@@H]1CC(COC(C)=O)=CCCC(C=O)=C[C@H]2OC(=O)C(=C)[C@@H]21 2356507996 NVEYSKFDXKUOIS-QRVBRYPASA-N 404.415 1.343 50 1 HDGF CCN1CCN(S(=O)(=O)C[C@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 13147139 FYPXPXUQTCUDRK-LUYZLQTOSA-N 407.374 1.723 50 1 HDGF Cc1ccccc1NNC(=O)c1ccccc1NS(=O)(=O)c1cnc(O)nc1O 1857631568 RNTZBJZKXDGXRC-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF COc1ccccc1[C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1cccnc1 195462174 NIWWBSSJGIGNCE-MJGOQNOKSA-N 413.283 1.494 50 1 HDGF CC[C@@H](C(=O)NN)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885523 MONMZJSXZMKOSN-INIZCTEOSA-N 408.289 1.841 50 1 HDGF O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C(c3ccccc3)=C(c3ccccc3)[C@@]2(O)[C@@H]2C(=O)OC(=O)[C@H]12 254130802 GWQMHYUJTIVKRW-ILXXBONRSA-N 416.385 1.604 50 1 HDGF O=C(CNc1cccc(C(=O)N2CCOCC2)c1)N/N=C1\CCCc2cnccc21 1772588036 MBTKSVPWHFWADP-LKUDQCMESA-N 407.474 1.823 50 1 HDGF CC(C)(C)O[C@@H]1O[C@H](CN(C(=O)NCCCl)C2CCCCC2)[C@H](O)[C@H](O)[C@H]1O 2356340587 SSPJXSLTNGJRDQ-HMDCTGQHSA-N 422.950 1.192 50 1 HDGF C[C@@H](O)CNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 43562011 UETOZXHVQLHFQO-SECBINFHSA-N 409.226 1.898 50 1 HDGF O=C(NNS(=O)(=O)c1ccccc1F)c1cc(F)cc(-c2cccc[n+]2[O-])c1 1857596826 YSCHUKONSJPIHK-UHFFFAOYSA-N 405.382 1.889 50 1 HDGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@H]1CCS(=O)(=O)C1 1857572770 NZCWHBVDVMMODU-WHGJXMNKSA-N 411.867 1.883 50 1 HDGF O=C(NNc1ccccc1F)c1ccc(NS(=O)(=O)c2cnc(O)nc2O)cc1 1857745893 FDFIBYDATDRMML-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2cccc(Cl)c2)c1CN1CCCC1 33296050 RZZSZKFWQVIABT-UKWGHVSLSA-N 415.845 1.246 50 1 HDGF O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2cccc(B(O)O)c2)no1 205037633 ZOHOAZGFXMHSOC-GOSISDBHSA-N 407.235 1.549 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O 100780128 IYBZGGXFPLMHRX-GWSKYZSOSA-N 416.898 1.655 50 1 HDGF endogenous,in-man CCCc1c(O)ccc2c1O[C@@](CCl)(C(=NOCC(=O)OC)C(=O)O)CC2=O 587460299 SRRSVPLPEFKYKK-SFHVURJKSA-N 413.810 1.918 50 1 HDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CC[C@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 2356618112 GAWRDTKAAVLEAK-GCRNAQOASA-N 406.431 1.026 50 1 HDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@H](O)[C@H]1O 64453763 LGVNWYADRODCOF-KSZLIROESA-N 407.338 1.845 50 1 HDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccco1)B(O)O 1772579464 VBMZPPMTJIKKJN-ROUUACIJSA-N 401.272 1.233 50 1 HDGF N#CSC[C@@]1(c2ccccc2F)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215642 BXHBHXCQMMSHRF-TWOQFEAHSA-N 411.462 1.765 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(COC(C)=O)CCC=C(C=O)[C@H]1O 2356610911 BVXBBBQHAJQZJL-OKYOBFRVSA-N 404.415 1.342 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@H](CCl)[C@@H](O)[C@H]1O 49109727 RFSPFAGKJHMAJN-SSFGXONLSA-N 403.870 1.727 50 1 HDGF CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 53279108 KDVOFUWWLDSETE-HLGQFBSYSA-N 421.494 1.174 50 1 HDGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962662915 JCIZYWHEPOERHX-YSSFQJQWSA-N 404.850 1.898 50 1 HDGF CCCCNS(=O)(=O)c1ccc2nc(CCNC(=O)CBr)[nH]c2c1 586971701 WWBZIPMWQKUBTN-UHFFFAOYSA-N 417.329 1.695 50 1 HDGF COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N/N=C2\C[C@H]4CC[C@]2(C)C4(C)C)[C@H]3C1=O 1857611426 BQEOIWKFCLIAQJ-RTKGMJSASA-N 401.507 1.733 50 1 HDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 53279106 KDVOFUWWLDSETE-XQBUBLBDSA-N 421.494 1.174 50 1 HDGF COC(C)(C)[C@@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@@H]3[C@H]4OO[C@@H](C=C(C)C)[C@]15C(=O)[C@@H]2[C@@H]([C@H]45)[C@H]3O 2356549339 YXOKLDJVQQTVQC-CNKDHODMSA-N 416.470 1.391 50 1 HDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@H]2[C@H]1O 2356505230 WUJZEZUWGBTPIX-WJFTUGDTSA-N 404.415 1.342 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(COC(=O)C(C)=CC=O)CCC=C(CO)C[C@H](OC(C)=O)[C@@H]12 2356663199 XUHYPIDKUUNCKX-XUVXKRRUSA-N 418.442 1.733 50 1 HDGF COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N/N=C2\C[C@H]4CC[C@]2(C)C4(C)C)[C@H]3C1=O 1857611425 BQEOIWKFCLIAQJ-PCZRVSQNSA-N 401.507 1.733 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@H]12 2356674808 VCPNHYSAQVYFHQ-YRXWBPOGSA-N 406.431 1.422 50 1 HDGF O=C1OC(=O)c2cc(-c3nc4ccc(S(=O)(=O)N5CCOCC5)cc4[nH]3)ccc21 586905882 FUJQRARCIDSVCE-UHFFFAOYSA-N 413.411 1.561 50 1 HDGF CN(C)CCSSCCCNC(=O)[C@@H]1C[C@H](O)CN1C(=O)OC(C)(C)C 618009006 OKTRUJTUBFIJKG-KBPBESRZSA-N 407.602 1.806 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1cccc(F)c1)B(O)O 195466459 SOIUTSGYGZRPEX-MSOLQXFVSA-N 401.247 1.625 50 1 HDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CC[C@]2(CO2)[C@H](O)[C@@H]2OC(=O)C(=C)[C@H]12 2356618113 GAWRDTKAAVLEAK-JMPYCUQPSA-N 406.431 1.026 50 1 HDGF COc1ccc(C(=O)N/N=C2\C(=O)N(CN3CCOCC3)c3ccc(F)cc32)cc1 71331524 MSRPXZWNVNODDJ-NMWGTECJSA-N 412.421 1.605 50 1 HDGF CN(C)[N+](=O)NOc1cc(OC(=O)c2ccc(N)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 377815892 HJVCXFRHSCGVJM-UHFFFAOYSA-O 407.319 1.358 50 1 HDGF C=C1[C@H](OC)O[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@H](OC(C)=O)C[C@]12O 2356598446 PZLXIRWNABRWFB-QHLBKBKOSA-N 406.859 1.113 50 1 HDGF C/C(=N/NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccc(O)cc1 40161285 VMKKVUKVBOJQLY-ZHZULCJRSA-N 403.460 1.567 50 1 HDGF C=C(CO)C(=O)O[C@@H]1CC(COC(C)=O)=CCCC(C=O)=C[C@@H]2OC(=O)C(=C)[C@@H]21 2356507995 NVEYSKFDXKUOIS-OTWHNJEPSA-N 404.415 1.343 50 1 HDGF CC[C@H](C(=O)NN)n1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1 587885524 MONMZJSXZMKOSN-MRXNPFEDSA-N 408.289 1.841 50 1 HDGF O=S(=O)(Nc1cccc(B(O)O)c1)c1cc(S(=O)(=O)c2ccccc2)cs1 169748478 YZOKHYPIQNIFRQ-UHFFFAOYSA-N 423.302 1.062 50 1 HDGF in-vivo CC(=O)N[C@@]1(C)[C@H](Cl)O[C@@](C)(COC(C)=O)[C@](C)(OC(C)=O)[C@@]1(C)OC(C)=O 9970400 ADABPAUBQVJXID-FPSMNIFISA-N 421.874 1.442 50 1 HDGF O=C(NO)c1cccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)c1 95809316 BGWFDKDHECMVAK-REZTVBANSA-N 423.179 1.946 50 1 HDGF CC(C)(NC(=O)CCl)c1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1 587009524 JPQXYRGKXJVMDY-UHFFFAOYSA-N 400.888 1.174 50 1 HDGF C=CC[C@]1(COC(C)=O)C[C@H](OC(=O)C(=C)CO)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]1C(=C)C=O 2356332978 LBTSJHQUUHYYAG-ZLGIVVLRSA-N 418.442 1.445 50 1 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccco2)nnn1-c1nonc1N 15895130 FBMPOAGHCDLJDZ-GRSHGNNSSA-N 401.431 1.211 50 1 HDGF Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCBr)c1=O 31904732 VNLZHFGIBSIFIB-UTUOFQBUSA-N 402.249 1.452 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@H]21 2356444260 QCTYKEDNIPKZDW-LFDJNIOPSA-N 404.415 1.340 50 1 HDGF N#CSC[C@]1(c2ccccc2F)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963215630 BXHBHXCQMMSHRF-FTRWYGJKSA-N 411.462 1.765 50 1 HDGF O=C(NNC(=O)C12C[C@@H]3C[C@H](CC(O)(C3)C1)C2)c1csc(N2CCOCC2)n1 102667619 VBANFLSCLQSOMU-IJKBLAIYSA-N 406.508 1.072 50 1 HDGF O=C(N/N=C1\CCc2cccc(O)c21)c1ccc(S(=O)(=O)N2CCOCC2)cc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c1ccccc1)NC(=O)CCc1ccccc1)B(O)O 195778998 ALDKKIACGNGVQW-LEWJYISDSA-N 410.323 1.890 50 1 HDGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(F)ccc2B(O)O)N1 962699456 OLIOYXGPGMQMCO-GJZGRUSLSA-N 401.096 1.352 50 1 HDGF Cc1cc(B(O)O)ccc1[C@H]1N[C@H](C(=O)O)Cc2ccc(Oc3ccc(O)cc3)cc21 962925951 KKRJYVUVQFYRSO-FCHUYYIVSA-N 419.242 1.861 50 1 HDGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCO)c2ncccc2c1 299822779 COTMIHGXIKNMBC-ZDUSSCGKSA-N 404.471 1.330 50 1 HDGF Cc1nnc(Sc2ccc(/C=N/NC(=O)c3cccc(C(=O)NO)c3)o2)n1C 95809713 SSSUYMPFHKSVRN-GIJQJNRQSA-N 400.420 1.751 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)C(C)=CC)[C@@H](O)C(C(=O)OC)=CCCC(=C)[C@H]2OO 2356670240 GEAVRACREUWZDP-QXDIGNSFSA-N 422.430 1.631 50 1 HDGF COc1cc([C@@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O 103197020 XJEBBXFFQSWMSP-DLBZAZTESA-N 416.305 1.275 50 1 HDGF CCOCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@H](OC(C)=O)C[C@]12O 2356490068 VMZLNLZWQUOSNR-RXABAKJHSA-N 420.886 1.505 50 1 HDGF COC1=C/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C=CC1=O 38165777 LALNTVRCDIVLCP-BUHFOSPRSA-N 403.460 1.259 50 3 HDGF C=C1C(=O)O[C@@H]2[C@@H]3[C@@H]([C@H](O)[C@H]4O[C@@]34C)[C@@](O)(CCl)C[C@@H](OC(=O)/C(C)=C/C)[C@@H]12 95911435 BIPHVHCLTIDQTE-QATWYSQASA-N 412.866 1.100 50 1 HDGF biogenic,in-vitro Cc1cc(N2C[C@@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc(C)c1S(N)(=O)=O 1857573244 NEEUKYCSJKNGPX-RSFOSLOZSA-N 414.487 1.454 50 1 HDGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O 103196950 TVZDRBHKIVGOEI-DLBZAZTESA-N 416.305 1.275 50 1 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@@H]1O 40915755 JCAVHDDDZIXFHB-CWJIUAMNSA-N 414.293 1.938 50 1 HDGF COc1ccc(Cl)c2c1CCN[C@H]2c1cc(C=O)c(OC(C)C)c(B(O)O)c1 963257408 JXNXYRNDVWCDDI-IBGZPJMESA-N 403.671 1.863 50 1 HDGF CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@H]1c1ccco1 5790874 NSYXCWYWACQNOH-HNRFISLBSA-N 409.423 1.087 50 1 HDGF C/C(=N\NC(=O)CNC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)OCCO2 13571802 ISPHKNKVHXGVDP-QNDYCBLQSA-N 411.414 1.254 50 1 HDGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)c2ccccc2C[C@]2(C3CCC3)C(=O)NC(=O)N21 962662902 JCIZYWHEPOERHX-BEVDRBHNSA-N 404.850 1.898 50 1 HDGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(B(O)O)c(Cl)c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c1ccccc1)[C@H](O)[C@@H](O)C(=O)NN=CC=Cc1ccccc1 1857622572 LIXQPTNMBCCLLW-WOJBJXKFSA-N 406.442 1.339 50 1 HDGF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC(=O)[C@]2(O)CCl)[C@]12C[C@@H](c1ccoc1)O[C@@H]2O 2356689843 BANUAIXXNPGYQT-GYJKBUDBSA-N 414.882 1.374 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@@H]12 2356521491 ARCCFNGRPFPGMT-GGTWPURDSA-N 418.442 1.971 50 1 HDGF O=[N+]([O-])c1ccc(CNc2ncnc3c2ncn3[C@@H]2O[C@H](CCl)[C@@H](O)[C@H]2O)cc1 29059094 CPEQDDBAIZKTSF-LSCFUAHRSA-N 420.813 1.205 50 1 HDGF O=c1ccn(CO[C@H](CI)COCc2ccccc2)c(=O)[nH]1 27179011 RGRFNHWHIFWADC-CYBMUJFWSA-N 416.215 1.531 50 1 HDGF COCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@@H](OC(C)=O)[C@@]2(O)CCl 2356414302 IYLQGDSHIOLYHP-XABWRGDLSA-N 406.859 1.115 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 238748413 YRUNQVZUGKDPML-GWRQHEBZSA-N 420.458 1.812 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@@H](CC(=O)O)c2ccc(F)cc2)c1 13862955 RLEVQGAGXMBFLZ-ZDUSSCGKSA-N 401.398 1.541 50 1 HDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 101752094 DPWIQDDMAGJYNA-XRFIUXNKSA-N 415.855 1.286 50 1 HDGF Cc1ccc(C)n1-c1cc(C(=O)N/N=C/c2cccc(B(O)O)c2)ccc1C(=O)O 1857591137 PNQZLASILUPIKW-FSJBWODESA-N 405.219 1.236 50 1 HDGF COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H]1OOC[C@H](O)[C@H]1OC(=O)c1ccccc1 2356517110 XEIKPWIQHYMQDA-BSDSXHPESA-N 416.382 1.302 50 1 HDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 137291666 KDVOFUWWLDSETE-RSZUIDIPSA-N 421.494 1.174 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@H]12 2356579397 BIPHVHCLTIDQTE-GHPKIJJTSA-N 412.866 1.100 50 1 HDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H](C)O 104421091 DPWIQDDMAGJYNA-NVXMLXPQSA-N 415.855 1.286 50 1 HDGF O=C(NNC1=c2cc(Br)ccc2=NC1=O)Nc1nc2ccccc2o1 199413425 WIUCFMYZRWKGMB-UHFFFAOYSA-N 400.192 1.185 50 1 HDGF Cc1ccccc1NNC(=O)c1cccc(NS(=O)(=O)c2cnc(O)nc2O)c1 1857645100 OVFWEBIVJMBTRR-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF O=C(NN=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C/c1ccccc1 254016536 LIXQPTNMBCCLLW-JDNUMNGPSA-N 406.442 1.339 50 3 HDGF CC(=O)OCC1=C2[C@H](OC(=O)C(C)C)CC(C=O)=CCC[C@]3(C)O[C@H]3[C@@H]2OC1=O 2356662299 KHZBZZREMZHCQN-OCQZMCQHSA-N 406.431 1.806 50 1 HDGF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)c1ccc(-c2ccccc2)cc1)[C@@H](C)O)B(O)O 195245458 ONNBBCPVOWAGSI-XPGWFJOJSA-N 412.295 1.376 50 1 HDGF CC=C(CO)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C=CC(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@H]21 2356457909 BIFNFWDORRWVPK-IHDLXORSSA-N 412.866 1.412 50 1 HDGF CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 169354725 KDVOFUWWLDSETE-ILRBBBANSA-N 421.494 1.174 50 1 HDGF C[C@]1(c2ccccc2B(O)O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186456 QPGOIHHGUDXLTE-SUMWQHHRSA-N 413.588 1.901 50 1 HDGF CCCCNC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C 13491223 QPVPANRZAYZEBY-ROUUACIJSA-N 419.526 1.005 50 1 HDGF COC(=O)/C=C1\[C@H](CO[Si](C)(C)C(C)(C)C)O[C@H](n2ccc(O)nc2=O)[C@@H]1O 254224465 PTJIYYNOAIUMBK-JEXZMUJMSA-N 412.515 1.328 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1ccc(S(C)(=O)=O)cc1 618007830 KCRLMDZDMYYGIT-AWEZNQCLSA-N 420.578 1.305 50 1 HDGF O=C(CC[C@@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 200496653 PUHNDWIPKKXOSI-QKFMXRBCSA-N 424.538 1.425 50 1 HDGF CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=NNC(N)=O)[C@H](O)CN3C)CC2=O 587475218 KNLQFERZXWMHKX-DYESRHJHSA-N 412.446 1.203 50 1 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccc(C)o2)nnn1-c1nonc1N 15895314 HSNZVBSSKJPNIM-JMIUGGIZSA-N 415.458 1.520 50 1 HDGF COc1cc([C@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O 103197023 XJEBBXFFQSWMSP-IRXDYDNUSA-N 416.305 1.275 50 1 HDGF O=C(Cc1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)nc2)CC1 1772616143 WKPGGRWNXMVLNS-UHFFFAOYSA-N 408.185 1.393 50 1 HDGF CCOC(=O)c1[nH]c2cc(Cl)ccc2c1/C=N/NC(=O)[C@@H]1CCS(=O)(=O)C1 1857572769 NZCWHBVDVMMODU-OQOREVAYSA-N 411.867 1.883 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](Cl)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]12 523041408 WEVOOBRFSCEKNH-GSDZULSGSA-N 414.882 1.633 50 1 HDGF biogenic O=C(COc1ncn(-c2ccc(Cl)cc2)n1)NNC(=S)NCc1ccccc1 68572094 DXNXBYHDNXOGBB-UHFFFAOYSA-N 416.894 1.995 50 1 HDGF biogenic C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@H]3C)[C@@H]12 523041416 ARCCFNGRPFPGMT-HPYZEAKNSA-N 418.442 1.971 50 1 HDGF biogenic COc1ccc(OC)c2c1C[C@H](C)N[C@]21C(C=O)=C2C=C(C)OC=C2[C@H](O)[C@@]1(C)O 963612579 SLXBEHPQNASCHE-OKMIADFSSA-N 413.470 1.872 50 1 HDGF COC(C)(C)[C@@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@H]3[C@H](O)[C@H]4[C@H]2C(=O)[C@@]12[C@H](C=C(C)C)OO[C@@H]3[C@H]42 2356549337 YXOKLDJVQQTVQC-ABDJLLHZSA-N 416.470 1.391 50 1 HDGF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CCCCCCCCCCCl 28225978 LESDMFDVYCKIEJ-RCCFBDPRSA-N 412.914 1.888 50 1 HDGF CCOC(=O)[C@@]1(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1(C)C 84653488 MOOSVCGBQAEKET-IBGZPJMESA-N 409.439 1.388 50 1 HDGF CC(=O)O[C@@H]1CC=C(C=O)[C@](C)([C@H](OC(=O)C(C)C)C2=C(C)C(=O)O[C@H]2O)[C@H]1C 2356508364 GBLJRCNXXBNAET-ZQLXGGJBSA-N 408.447 1.849 50 1 HDGF C=CCN[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 73156834 HHFMVQSDAYUQEO-RTMXWMFYSA-N 418.778 1.993 50 1 HDGF CC(=N)/C(C#N)=C(/O)COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H](C)O 169306516 DPWIQDDMAGJYNA-XJFRCRSQSA-N 415.855 1.286 50 1 HDGF O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCC[C@@H]3CCBr)N2C(=O)[C@@H]2CCCN12 963225466 UVWUNYNFYIKJTI-ZLJVHPLZSA-N 407.312 1.948 50 1 HDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@H](c3cc(F)c(B(O)O)c(F)c3)N12 962660370 HGXVGIPXEYZBJK-GHTZIAJQSA-N 412.201 1.381 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CCl)[C@H](O)[C@@H]1O 27106157 RFSPFAGKJHMAJN-CAFRTOGMSA-N 403.870 1.727 50 1 HDGF CS(=O)(=O)OCCN1[C@@H](OO)CCO[P@@]1(=O)N(CCCl)CCCl 169319557 YAPVFEGQYSAXCE-MGUXCZDKSA-N 415.232 1.388 50 1 HDGF COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414610 NKRNRNZKPSJEMV-ILMHXZGMSA-N 413.220 1.681 50 1 HDGF CC(C)(C)O[C@@H]1O[C@H](CN(C(=O)NCCCl)C2CCCCC2)[C@H](O)[C@@H](O)[C@H]1O 2356340588 SSPJXSLTNGJRDQ-JJTUDDRGSA-N 422.950 1.192 50 1 HDGF C=C1C[C@H](OC(=O)C(C)=CC=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CCl 2356535218 QFRPCGYYWUHGHK-NHAGCDNQSA-N 410.850 1.068 50 1 HDGF CCCn1c(=O)c2[nH]c(CCCNC(=O)CBr)nc2n(CCC)c1=O 12405647 ROIJQCVJQSWTTQ-UHFFFAOYSA-N 414.304 1.150 50 1 HDGF CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=NNC(N)=O)[C@@H](O)CN3C)CC2=O 587475223 KNLQFERZXWMHKX-UWJYYQICSA-N 412.446 1.203 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)[C@H](Cl)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@H]12 2356683472 WEVOOBRFSCEKNH-QVZVSEBQSA-N 414.882 1.633 50 1 HDGF Cc1cccc(NNC(=O)c2cccc(NS(=O)(=O)c3cnc(O)nc3O)c2)c1 1857748436 YFLPYGAMWLECIT-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF CC(=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1C=C[C@@](C)(OO)CC1)CO 2356539416 NRSRHPFZQKNPHH-FVKMIIMCSA-N 416.511 1.523 50 1 HDGF Cc1nn([C@H](C)C(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587885719 SBROHLGUOQAAKD-GFCCVEGCSA-N 408.289 1.760 50 1 HDGF CCO[C@H]1O[C@@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1n1ccc(=O)[nH]c1=O 195514456 VPXFRHSNKICYPX-YXWQFLTLSA-N 400.548 1.612 50 1 HDGF Cc1nn(CCC(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587885932 XDNQJQDRZVKPPA-UHFFFAOYSA-N 408.289 1.589 50 1 HDGF Nc1nnc(CC(=O)N/N=C/c2cc([N+](=O)[O-])cc(Br)c2O)s1 36470803 URELFUGYBZRLFD-LNKIKWGQSA-N 401.202 1.189 50 1 HDGF NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)C1CCCCC1)B(O)O 170114913 ANSWPKCJQAZJTJ-FQEVSTJZSA-N 417.359 1.406 50 1 HDGF C=C(C)C(=O)O[C@H]1/C(C=O)=C/CC/C(COC(C)=O)=C/[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 28571609 WUJZEZUWGBTPIX-BKCHSICMSA-N 404.415 1.342 50 1 HDGF O=S(=O)(Nc1cccc(B(O)O)c1)c1ccc(S(=O)(=O)c2ccccc2)s1 169879842 QASOKUNWMKKJOJ-UHFFFAOYSA-N 423.302 1.062 50 1 HDGF C=C(CO)C(=O)O[C@@H]1CC(COC(C)=O)=CCCC(C=O)=C[C@H]2OC(=O)C(=C)[C@H]21 2356507993 NVEYSKFDXKUOIS-GUDVDZBRSA-N 404.415 1.343 50 1 HDGF NNC(=O)c1ccc2nc(-c3sccc3S(=O)(=O)NCc3ccco3)[nH]c2c1 586946376 WFCWJSFQTGAKLP-UHFFFAOYSA-N 417.472 1.966 50 1 HDGF N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=S)c2[C@@]12C(=O)Nc1ccc(Br)cc12 98083900 VAVLBDWJSBBIPF-HNNXBMFYSA-N 418.232 1.519 50 1 HDGF COc1cc(B(O)O)c([C@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OC 962619507 CZPOZBKSAIPYJB-YUNKPMOVSA-N 401.268 1.367 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](Cl)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@@H]12 523041407 WEVOOBRFSCEKNH-BEUDUZTQSA-N 414.882 1.633 50 1 HDGF biogenic CCOC(=O)N/N=C1\C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 18212865 KDVOFUWWLDSETE-RWEFIRNASA-N 421.494 1.174 50 1 HDGF COC(=O)/C=C1/[C@H](O)[C@@H](n2ccc(O)nc2=O)O[C@H]1CO[Si](C)(C)C(C)(C)C 254224464 PTJIYYNOAIUMBK-AWBFNTPCSA-N 412.515 1.328 50 1 HDGF CCN1C(=O)CS/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC 1652783 LDGDQPROPJYGPC-JZJYNLBNSA-N 405.505 1.491 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O 100780134 IYBZGGXFPLMHRX-CFFZKIFJSA-N 416.898 1.655 50 1 HDGF endogenous,in-man C#CCNC(=O)[C@H](Cc1ccc(OS(=O)(=O)C=C)cc1)NC(=O)[C@H](Cl)CC 96174895 MLSGHKMFWALFAF-CVEARBPZSA-N 412.895 1.333 50 1 HDGF NNC(=O)c1cn2cc(C#CCNC(=O)Cc3ccc(Cl)cc3Cl)ccc2n1 587890952 GYFUPCNHOQJRAZ-UHFFFAOYSA-N 416.268 1.955 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@H]3C)C[C@@]2(O)OC1=O 86010740 IYBZGGXFPLMHRX-JYWDLWCNSA-N 416.898 1.655 50 1 HDGF in-man CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1I 1857617728 UHTJVXMVCVDKDI-UHFFFAOYSA-N 402.641 1.719 50 1 HDGF COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587376897 YLVMQFGBPRTPGU-MLGOLLRUSA-N 400.225 1.781 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)C)[C@@H]12 103556690 VCPNHYSAQVYFHQ-AMVJFLEGSA-N 406.431 1.422 50 1 HDGF biogenic,in-vitro CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N2CCOCC2)nn1)C(C)C 103222721 RDOLLEOVMIMHTC-ZPHPHTNESA-N 403.483 1.416 50 1 HDGF C=C(C)C(=O)O[C@H]1C(C=O)=CCCC(COC(C)=O)=C[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 299807322 WUJZEZUWGBTPIX-XWSJACJDSA-N 404.415 1.342 50 1 HDGF C=C1[C@H](OC)O[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@@H](OC(C)=O)[C@@]2(O)CCl 2356598444 PZLXIRWNABRWFB-HZYJHYJVSA-N 406.859 1.113 50 1 HDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@@](=O)(CCl)N(C)C)O2)c(=O)[nH]c1=O 73164597 JVGXJUPPFOPIJC-PMMHVHRZSA-N 406.767 1.779 50 1 HDGF CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](Br)c3ccccc3)C(=O)N2[C@H]1C(=O)O 27092927 KLPNLBTUMYQCKF-BBGACYKPSA-N 413.293 1.754 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 197452092 YRUNQVZUGKDPML-TWGUMGITSA-N 420.458 1.812 50 1 HDGF biogenic C=C1C[C@H](OC(=O)C(C)=CC=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CCl 2356535221 QFRPCGYYWUHGHK-YLRNSDIYSA-N 410.850 1.068 50 1 HDGF NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1c(F)c(F)c(F)c(F)c1F 40918909 AWDKBDAWOHYQRV-UHFFFAOYSA-N 420.319 1.781 50 1 HDGF Cc1ccccc1NC(=O)/C(=N/NC(=O)CC#N)[C@@H]1C(=O)N(c2ccccc2)N=C1N 102952278 YLUYSEGYTYPHBT-DXMZOVICSA-N 417.429 1.255 50 1 HDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)nn2)C1 618011761 ALEYSBIAUYZRKO-ZDUSSCGKSA-N 413.569 1.094 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)C(C)=CC)[C@H]12 2356454733 VOLLLWYRXDPFJB-YSTOQKLRSA-N 418.442 1.732 50 1 HDGF COC(C)(C)[C@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@@H]3[C@@H](O)[C@H]4[C@@H]2C(=O)[C@]12[C@H]4[C@H]3OO[C@@H]2C=C(C)C 255286102 YXOKLDJVQQTVQC-ZWYFPDKCSA-N 416.470 1.391 50 1 HDGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(B(O)O)c(Cl)c2)N1 962696245 KJWHYLNSKIBEIE-CABCVRRESA-N 417.551 1.866 50 1 HDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2cc(O)no2)C1 618011795 LOUXQEVZMKSXJW-LBPRGKRZSA-N 402.542 1.292 50 1 HDGF CCC[C@@H]1CCCCC[C@@H](O)CC(=O)N[C@H]2CSSC[C@@H](NC2=O)C(=O)O1 2356720897 MVEXFNFRQDFJIE-APIJFGDWSA-N 418.581 1.778 50 1 HDGF COC1=CC([N+](=O)[O-])=C/C(=C\NNC(=O)C(O)(c2ccccc2)c2ccccc2)C1=O 13122461 XOMCNSSCYOTUOL-CCEZHUSRSA-N 421.409 1.701 50 3 HDGF O=C(N/N=C/c1ccc2c(c1)no[n+]2[O-])c1ccc(I)cc1 40949562 XEXPEGIOIUFYJM-LZYBPNLTSA-N 408.155 1.830 50 1 HDGF COc1ccc(C2=C(C(F)(F)F)NN/C2=C2\C=CC(OCC(=O)NN)=CC2=O)cc1 100512299 DILPUUQUKJFHKS-GHRIWEEISA-N 422.363 1.360 50 3 HDGF CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=C/C1=N\NC(N)=O)[C@@H](O)CN3C)CC2=O 587475224 KNLQFERZXWMHKX-YLSGIRLFSA-N 412.446 1.203 50 1 HDGF Cc1cc(S(N)(=O)=O)c(C)cc1N1C[C@@H](C(=O)N/N=C/c2ccccc2)CC1=O 1857546204 UHOITOKAAASPAH-RSFOSLOZSA-N 414.487 1.454 50 1 HDGF CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NNc1cccc(F)c1)C(C)C)C(C)C 64597001 QLHGYYFTMYAHLC-JQFCIGGWSA-N 409.506 1.158 50 1 HDGF COc1cc(Br)c([C@H](N)c2nc3ccc(C(=O)NN)cc3[nH]2)cc1OC 586976583 WKUPNAFKXOVELT-HNNXBMFYSA-N 420.267 1.994 50 1 HDGF CCOC(=O)C[n+]1ccc(C(=O)N/N=C/c2cc(Br)ccc2O)cc1 13556302 OGZLUQHCWGMTDH-UHFFFAOYSA-O 407.244 1.769 50 1 HDGF COc1ccc(-c2cc(C(=O)NN)n(C[C@@H](O)COc3ccccc3OC)n2)cc1 40413771 MXXYBFASRXOQDX-OAHLLOKOSA-N 412.446 1.611 50 1 HDGF C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@H]1C=C[C@@](C)(OO)CC1 2356421913 YXJQVTXJJRAVFR-WBRHAJCQSA-N 416.511 1.521 50 1 HDGF C=C(C)[C@H](O)CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1C=C[C@](C)(OO)CC1 2356421915 YXJQVTXJJRAVFR-YAWPOEEYSA-N 416.511 1.521 50 1 HDGF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@H]21 2356464182 AOOCHXQRIWVTII-HHGNXTJHSA-N 410.850 1.968 50 1 HDGF CCOC1=C/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C=CC1=O 38183779 QKPHCKRLHXFNFB-CCEZHUSRSA-N 417.487 1.649 50 3 HDGF O=Cc1cc(B(O)O)c(F)c([C@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962635124 INJMKRTYPPWGFN-DENIHFKCSA-N 422.221 1.054 50 1 HDGF O=C(N/N=C1\C(=O)N(CN2CCOCC2)c2ccc(Cl)cc21)c1ccc(O)cc1 71340790 QEXFZEIUGIIRRF-PYCFMQQDSA-N 414.849 1.816 50 1 HDGF Cc1cn([C@H]2C[C@](C#N)(N(C)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O2)c(=O)[nH]c1=O 205884678 JFILYFBIZJNSQI-HBUWYVDXSA-N 410.547 1.738 50 1 HDGF COc1cc(N[C@@H](C)CCCNC(=O)NNC(=O)NCCCO)c2ncccc2c1 299825697 JIYGTEOSOKYJJF-AWEZNQCLSA-N 418.498 1.720 50 1 HDGF C=CCN[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 73156835 HHFMVQSDAYUQEO-RNVJJSLUSA-N 418.778 1.993 50 1 HDGF O=C1OC(=O)[C@@H]2[C@@H]1[C@H]1C(c3ccccc3)=C(c3ccccc3)[C@@]2(O)[C@H]2C(=O)OC(=O)[C@@H]21 254130813 GWQMHYUJTIVKRW-WFTWCTDBSA-N 416.385 1.604 50 1 HDGF O=C1C[C@H](O)C[C@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356606484 RGQPWBYRWFJZDN-WOJBJXKFSA-N 404.538 1.737 50 1 HDGF N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCO[P@](=O)(N(CCCl)CCCl)N1 28950694 ZPXDQSCPFYGEEG-USBFQFRLSA-N 423.281 1.896 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)=CC)[C@H]12 2356454734 VOLLLWYRXDPFJB-ZRNYENFQSA-N 418.442 1.732 50 1 HDGF COc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)c(OC)c1 40404362 QUNWPMMGCLNOQY-VXLYETTFSA-N 403.416 1.373 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]3C(C=O)=CC(=O)C3=C(C)C[C@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 15110412 JRVDJWWCTWHLPD-UPZYVNNASA-N 408.406 1.989 50 1 HDGF biogenic CCOC(=O)N/N=C1/C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 53279020 KDVOFUWWLDSETE-ZGFNJBPLSA-N 421.494 1.174 50 1 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@H]4C5)nc(Cl)nc32)[C@@H]1O 261118308 JCAVHDDDZIXFHB-RSUHUFPZSA-N 414.293 1.938 50 1 HDGF Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCCSSCCN(C)C)cc1 618008985 OCXLMOFIACEECB-AWEZNQCLSA-N 405.611 1.721 50 1 HDGF CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2\C=CC(=O)C(O)=C2O)c1 100432589 KISWAJXGCMUHFC-ACCUITESSA-N 407.448 1.302 50 3 HDGF Cn1c(SCC(=O)NN/C=C2\C=C([N+](=O)[O-])C=CC2=O)nnc1-c1ccccc1 13122492 RLXGYXTZSGODRP-JLHYYAGUSA-N 412.431 1.378 50 3 HDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@@H]2[C@H]1O 2356505229 WUJZEZUWGBTPIX-INDMIFKZSA-N 404.415 1.342 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@H](C)CC)[C@H]12 2356576382 YRUNQVZUGKDPML-NTMBOTALSA-N 420.458 1.812 50 1 HDGF Cc1cn([C@H]2C[C@H](SSc3ccccc3[N+](=O)[O-])[C@@H](CO)O2)c(=O)[nH]c1=O 40891803 LYLYWIQSGQYYLF-KWCYVHTRSA-N 411.461 1.842 50 1 HDGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCCO)c2ncccc2c1 299825702 JIYGTEOSOKYJJF-CQSZACIVSA-N 418.498 1.720 50 1 HDGF CCN[P@@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 73141909 JQHOKWGKPXYDBH-GXBZLWKFSA-N 406.767 1.827 50 1 HDGF C[C@@H](Cl)[C@@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2c(Cl)cc(Cl)cc21 963120534 JKFFLMNXBGCRRY-CQLKUDPESA-N 417.724 1.990 50 1 HDGF CS(=O)(=O)OCCN1[C@H](OO)CCO[P@@]1(=O)N(CCCl)CCCl 169319559 YAPVFEGQYSAXCE-STFLBKPXSA-N 415.232 1.388 50 1 HDGF COc1cc(N[C@H](C)CCCNC(=O)NNC(=O)NCCO)c2ncccc2c1 299822776 COTMIHGXIKNMBC-CYBMUJFWSA-N 404.471 1.330 50 1 HDGF CCOC(=O)NNC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C 27418968 CCIRNXXUWFWJAR-KGLIPLIRSA-N 416.519 1.844 50 1 HDGF in-vivo C[C@@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962711268 LVOROUZUGLYPLI-YOEHRIQHSA-N 408.141 1.184 50 1 HDGF N[C@@H](CCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)O 78938571 XECWFUGQRJPWRP-GJZGRUSLSA-N 408.411 1.256 50 1 HDGF in-vitro COc1cc(C(=O)NNS(=O)(=O)c2ccccc2F)cc(-n2ccc(C)n2)c1 1857587933 ZTYXFFVRKIXGPA-UHFFFAOYSA-N 404.423 1.952 50 1 HDGF CC(=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1)CO 2356539415 NRSRHPFZQKNPHH-ANETWUKTSA-N 416.511 1.523 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@@]21O 14924458 VCAKAFVZYNRGKS-KUQHHRAOSA-N 412.866 1.004 50 1 HDGF CC(=O)N[C@@H](Cc1ccccc1)C(=O)NN(C)C(=O)Oc1ccc([N+](=O)[O-])cc1 43598078 LRYQXDXRPMLPQZ-KRWDZBQOSA-N 400.391 1.804 50 1 HDGF CC(C)C[C@@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1)B(O)O 195812827 QCHDBUKWZDCJFY-ZWKOTPCHSA-N 401.247 1.105 50 1 HDGF O=C(NNC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)c1csc(N2CCOCC2)n1 12868397 VBANFLSCLQSOMU-NFAYLAGKSA-N 406.508 1.072 50 1 HDGF NC(=O)CN1C(=O)[C@@H](NC(=O)C2=CC3=C[C@@H](Cl)SC3=N2)Cc2ccccc21 58650166 ACSGSLPOHKRZCY-JSGCOSHPSA-N 402.863 1.080 50 1 HDGF in-vitro CCO[C@H]1O[C@H](CO[Si](C)(C)C(C)(C)C)[C@@H](O)C[C@@H]1n1ccc(=O)[nH]c1=O 195514459 VPXFRHSNKICYPX-AYDFFVQHSA-N 400.548 1.612 50 1 HDGF O=Cc1cc(B(O)O)c(F)c([C@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962635137 INJMKRTYPPWGFN-KNQAVFIVSA-N 422.221 1.054 50 1 HDGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857563674 WKBIUTMXUDXDQX-IRXDYDNUSA-N 412.837 1.571 50 1 HDGF COCCOc1cc2ncnc(Nc3ccc(B(O)O)cc3)c2cc1OCCOC 221594168 LDSLXSIBRMZOAE-UHFFFAOYSA-N 413.239 1.104 50 1 HDGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@H](c2cc(F)ccc2B(O)O)N1 962927749 PAMRKNLDIDATEE-LEWJYISDSA-N 423.205 1.692 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl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biogenic C/C=C(/C)C(=O)O[C@@H]1C=C(CO)C(=O)[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@H]1C(C)C 1857760763 HDOKCWOUTBGKGC-YSGBXONQSA-N 416.898 1.928 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@H]3C)[C@@H]12 2356521490 ARCCFNGRPFPGMT-DHGQUPIGSA-N 418.442 1.971 50 1 HDGF O=C(NCc1ccc(S(=O)(=O)Nc2cccc(B(O)O)c2)s1)c1ccccc1 169879928 WHHYUZHZDJKGHB-UHFFFAOYSA-N 416.289 1.159 50 1 HDGF Cc1cn([C@@H]2O[C@H](CO[Si](C)(C)C(C)(C)C(C)C)[C@@H](O)[C@H]2O)c(=O)nc1O 653844345 ZVYFNGDQLNLQQV-IXYNUQLISA-N 400.548 1.534 50 1 HDGF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 587266925 QMNKACORQYMBGN-ANRSDYALSA-N 415.366 1.517 50 1 HDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@H]1O 64448228 LGVNWYADRODCOF-KZNAEPCWSA-N 407.338 1.845 50 1 HDGF COc1cc([C@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O 103197028 XJEBBXFFQSWMSP-SJORKVTESA-N 416.305 1.275 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cnccn1)c1cccc(Cl)c1)B(O)O 195464443 QUTWWFZJYSDTOM-WBVHZDCISA-N 418.690 1.534 50 1 HDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@H]2[C@@H]1O 2356505231 WUJZEZUWGBTPIX-ZSYWTGECSA-N 404.415 1.342 50 1 HDGF CC(C)C[C@H](NC(=O)CCn1cc(Br)c2ncccc2c1=O)B(O)O 221724766 MWDKVMOOVPEQKR-ZDUSSCGKSA-N 410.077 1.092 50 1 HDGF CCCCN1C(=O)C(=NNC(=O)c2ccc(S(N)(=O)=O)cc2)c2ccccc21 1857771255 QSUZYQZAQILTBO-UHFFFAOYSA-N 400.460 1.615 50 1 HDGF CCOC(=O)NNc1ncc(C)c(C2=CN=C(C(=O)N[C@H](CO)c3ccccc3)C2)n1 89469312 SACCUTBNFIKQSN-QGZVFWFLSA-N 424.461 1.893 50 1 HDGF CCOCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)CCl 2356490067 VMZLNLZWQUOSNR-DZRGKWQISA-N 420.886 1.505 50 1 HDGF CCOC(=O)NNC(=O)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C 27418979 CCIRNXXUWFWJAR-UONOGXRCSA-N 416.519 1.844 50 1 HDGF in-vivo O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2ccc(B(O)O)c(Cl)c2)N1 962696248 KJWHYLNSKIBEIE-GJZGRUSLSA-N 417.551 1.866 50 1 HDGF CNc1ccc(C(=O)Oc2cc(ON[N+](=O)N(C)C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1 377812591 HQMHXYVNJDGHPZ-UHFFFAOYSA-O 421.346 1.818 50 1 HDGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(F)ccc2B(O)O)N1 962699458 OLIOYXGPGMQMCO-HUUCEWRRSA-N 401.096 1.352 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@H]2[C@H]2O[C@@]2(C)CCC=C(C=O)[C@H]1OC(C)=O 2356400480 AIMNWAPJFFOMOT-UVIDDBMMSA-N 404.415 1.580 50 1 HDGF COc1ccc([C@@H](CC(=O)O)CC(=O)NNC(=O)c2cccc(NC(=N)N)c2)cc1 13862961 XJRPJRUXGLBKPY-CQSZACIVSA-N 413.434 1.410 50 1 HDGF C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCSSCCN(C)C 618008644 IXRJBHMMSYWGOO-AWEZNQCLSA-N 405.611 1.803 50 1 HDGF N#CC1=CC=CC(=NC2=C(Nc3ccccc3Br)N[S@@](=O)N2)C1=O 2356705019 QZJGLVWWKPZTGE-XMMPIXPASA-N 404.249 1.789 50 1 HDGF CN1CCc2c(Br)cccc2[C@]1(C)c1ccc(B(O)O)cc1[N+](=O)[O-] 963282156 WIZPSTROWDTICG-QGZVFWFLSA-N 405.057 1.789 50 1 HDGF NNC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@H]4CCCO4)cc3)nc2c1 586947445 YSCDGXNVACETDZ-CQSZACIVSA-N 415.475 1.291 50 1 HDGF CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(/C=N/NC(N)=O)c(O)c(C(C)(C)C)c1 1857760152 HPENDBRDYDJTNY-XYJSHWMKSA-N 417.466 1.883 50 1 HDGF CCCCC[C@@H]1[C@@H]2OC(C)=CC3=C(C=O)C(=O)[C@](C)(O)[C@@H]4[C@H](C(=O)OC)C(=O)[C@@H]1[C@]324 2356868318 XAHOFHHJQNUHFY-ZJMDVAHPSA-N 416.470 1.919 50 1 HDGF COc1cc(B(O)O)c([C@@H]2c3c(ccc(OC)c3OC)C[C@H](C)N2C)cc1OC 962619503 CZPOZBKSAIPYJB-FKIZINRSSA-N 401.268 1.367 50 1 HDGF COc1cc([C@@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)ccc1O 103197026 XJEBBXFFQSWMSP-IAGOWNOFSA-N 416.305 1.275 50 1 HDGF CC(C)(C)O[C@@H]1O[C@H](CN(C(=O)NCCCl)C2CCCCC2)[C@H](O)[C@@H](O)[C@@H]1O 2356340586 SSPJXSLTNGJRDQ-ALYAQQCSSA-N 422.950 1.192 50 1 HDGF Cc1cc(S(N)(=O)=O)c(C)cc1N1C[C@H](C(=O)N/N=C/c2ccccc2)CC1=O 1857546203 UHOITOKAAASPAH-CNPYVQQSSA-N 414.487 1.454 50 1 HDGF COC1=CC(=O)[C@]2([C@H](Cl)C[C@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@H]1OC 2356397680 QHDJUCISALFSTI-SMUISQBPSA-N 411.882 1.650 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)[C@H](Cl)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@](C)(O)[C@@H](C)O)[C@@H]12 2356683470 WEVOOBRFSCEKNH-JPQDBNTISA-N 414.882 1.633 50 1 HDGF O=C1C[C@@H](O)C[C@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356606483 RGQPWBYRWFJZDN-VQTJNVASSA-N 404.538 1.737 50 1 HDGF COC(C)(C)[C@@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@@H]3[C@H]4OO[C@@H](C=C(C)C)[C@]15C(=O)[C@@H]2[C@H]([C@H]3O)[C@@H]45 2356549338 YXOKLDJVQQTVQC-CLGPZNSPSA-N 416.470 1.391 50 1 HDGF CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 53279022 KDVOFUWWLDSETE-STIBVINGSA-N 421.494 1.174 50 1 HDGF COc1ccc(C(=O)N2CCC(C(=O)NCCSSCCN)CC2)cc1O 618008134 ZOQJCUWAXXONMZ-UHFFFAOYSA-N 413.565 1.709 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]3C(C=O)=CC(=O)C3=C(C)C[C@@H](OC(=O)Cc3ccc(O)cc3)[C@@H]12 13338631 JRVDJWWCTWHLPD-CIQXWFTPSA-N 408.406 1.989 50 1 HDGF biogenic COc1ccc(/C=N/NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)c2ccc(OC)cc2)cc1 45393079 DAEADLYMDBALSZ-GRMYTIJRSA-N 421.457 1.918 50 1 HDGF CS(=O)(=O)OCCN1[C@H](OO)CCO[P@]1(=O)N(CCCl)CCCl 299847204 YAPVFEGQYSAXCE-ZQJOYCHOSA-N 415.232 1.388 50 1 HDGF CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](C)[C@@H](O)CC[C@@H]3C[C@@]2(O)OC1=O 257450346 IYBZGGXFPLMHRX-FUUHPBFCSA-N 416.898 1.655 50 1 HDGF endogenous,in-man C[C@]1(c2ccccc2B(O)O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186441 QPGOIHHGUDXLTE-CXAGYDPISA-N 413.588 1.901 50 1 HDGF CCN(CC)c1ccc(-c2nn(C(=O)CC(=O)NN)c(=O)c3ccccc23)c(O)c1 587666958 ISXHVIHPNWKQHN-UHFFFAOYSA-N 409.446 1.636 50 1 HDGF NNC(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1 587263121 MXYCZZKBOGQJRS-UHFFFAOYSA-N 423.433 1.558 50 1 HDGF NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccc(Br)cc1 40916312 CEIRDSOBQYEQJL-UHFFFAOYSA-N 409.265 1.848 50 1 HDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 254045448 KDVOFUWWLDSETE-WFYAVGKYSA-N 421.494 1.174 50 1 HDGF N#CC1=CC=CC(=NC2=C(Nc3ccccc3Br)N[S@](=O)N2)C1=O 2356705018 QZJGLVWWKPZTGE-DEOSSOPVSA-N 404.249 1.789 50 1 HDGF CC(C)[C@]1(O)[C@H](N=C=S)[C@@H]2O[C@@]23[C@@]2(C)CCC4=C(COC4=O)[C@@H]2C[C@@H]2O[C@@]23[C@@H]1O 202549890 MOGJKMSGJKCFFB-VWZLKGQMSA-N 419.499 1.168 50 1 HDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccc[n+]2[O-])CC1 618007698 FGUSZWZBPDGUSA-UHFFFAOYSA-N 412.581 1.231 50 1 HDGF O=C1C=CC(Br)=C/C1=C\NNC(=O)[C@@H](c1ccncc1)N1CCOCC1 13121660 CGMBFFUQSLRQMT-ABDJAZHISA-N 419.279 1.377 50 3 HDGF CCOC(=O)NNC(=O)[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C)C(C)C 27418974 CCIRNXXUWFWJAR-ZIAGYGMSSA-N 416.519 1.844 50 1 HDGF in-vivo O=C(N/N=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 169341126 LIXQPTNMBCCLLW-LOXSWZQUSA-N 406.442 1.339 50 1 HDGF COc1ccc(NC(=O)NNC(=O)CCn2nc(C)c([N+](=O)[O-])c2C)cc1OC 201455255 RFVUUVVSOCIHES-UHFFFAOYSA-N 406.399 1.668 50 3 HDGF O=C(O)CCNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 5733543 AJOGEGJOGQIIKG-UHFFFAOYSA-N 423.209 1.992 50 1 HDGF O=C(N/N=C\C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 169341124 LIXQPTNMBCCLLW-HBXZTBDCSA-N 406.442 1.339 50 1 HDGF CC1=C(C(=O)NNC(=O)c2ccccc2O)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 103293767 VDDQRHLUBXHUBL-INIZCTEOSA-N 411.374 1.390 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@@H](OC(=O)C(C)=CC)[C@@H]12 2356454732 VOLLLWYRXDPFJB-FYQPLNBISA-N 418.442 1.732 50 1 HDGF CCC[C@H]1CCCCC[C@@H](O)CC(=O)N[C@H]2CSSC[C@@H](NC2=O)C(=O)O1 2356720898 MVEXFNFRQDFJIE-CBBWQLFWSA-N 418.581 1.778 50 1 HDGF C[C@@]1(c2ccc(B(O)O)s2)N[C@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691160 BEGASNDWNNEKQS-XHDPSFHLSA-N 403.162 1.448 50 1 HDGF N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@@]12C(=O)Nc1ccc(Br)cc12 96908927 UKVCDZSVPKQHCZ-KRWDZBQOSA-N 416.187 1.219 50 1 HDGF CSCC[C@@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586935414 GZZYUBCRUQWYGR-OAHLLOKOSA-N 419.532 1.939 50 1 HDGF COc1ccc(CC(=O)NN/C=C2\C=C([N+](=O)[O-])C=C(Br)C2=O)cc1 12475509 WXSVXZWFELIVAB-PKNBQFBNSA-N 408.208 1.765 50 3 HDGF COC(=O)[C@H](OC(=O)c1ccccc1)[C@H]1OOC[C@@H](O)[C@@H]1OC(=O)c1ccccc1 238762499 XEIKPWIQHYMQDA-VSZNYVQBSA-N 416.382 1.302 50 1 HDGF CCCCOC(=O)[C@@H](NC(=O)NNC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(C)C 13491220 ASNXXPLMWWQBHZ-ROUUACIJSA-N 420.510 1.432 50 1 HDGF CCOCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 205240419 VMZLNLZWQUOSNR-XFUTXVRSSA-N 420.886 1.505 50 1 HDGF O=C(COc1ccc2ccc(=O)oc2c1)NN=C1C(=O)Nc2ccc([N+](=O)[O-])cc21 1857570364 HNUXLDIOPWPBAW-UHFFFAOYSA-N 408.326 1.553 50 1 HDGF COc1ccc(Cl)c2c1CCN[C@@H]2c1cc(C=O)c(OC(C)C)c(B(O)O)c1 963257409 JXNXYRNDVWCDDI-LJQANCHMSA-N 403.671 1.863 50 1 HDGF CN(C)CCSSCCCNC(=O)[C@@H](CC(N)=O)NC(=O)OC(C)(C)C 618008627 IUHBUKMVFOAECY-GFCCVEGCSA-N 408.590 1.204 50 1 HDGF CN(C)CCSSCCNC(=O)c1ccc2nnc(NC(=O)C3CC3)n2c1 618017085 FDLZDRCZCCSQTO-UHFFFAOYSA-N 408.553 1.751 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](Cl)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@H]12 523041409 WEVOOBRFSCEKNH-HIBDNEPHSA-N 414.882 1.633 50 1 HDGF biogenic CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513121 HOWXXVFJHFRJRM-PGRDOPGGSA-N 408.458 1.424 50 1 HDGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857563672 WKBIUTMXUDXDQX-DLBZAZTESA-N 412.837 1.571 50 1 HDGF CC(=O)NNC[C@H]1CN(c2ccc(OCCN3CCSCC3)c(F)c2)C(=O)O1 27411758 KAXBYLVMGOKKAD-HNNXBMFYSA-N 412.487 1.219 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@]3(C)O[C@@H]3C)[C@H]12 2356521489 ARCCFNGRPFPGMT-AVQHDZRUSA-N 418.442 1.971 50 1 HDGF CC(=O)NC[C@H]1CN(c2ccc3c(c2)N(C(=O)CCl)C[C@@H]2CCCN32)C(=O)O1 40567466 RKKVDZFAYSHZDA-GJZGRUSLSA-N 406.870 1.702 50 1 HDGF CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513118 HOWXXVFJHFRJRM-GNQYPJDVSA-N 408.458 1.424 50 1 HDGF CC1=C(N[C@H](C(=O)N[C@@H](CC(C)C)B(O)O)C(C)C)C(=O)c2ccccc2C1=O 1772618702 UKBHEGXMMPJCMO-IRXDYDNUSA-N 400.284 1.497 50 1 HDGF Cc1nn(CCC(=O)NN)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587879628 XCSKQYLZLFNYPY-UHFFFAOYSA-N 422.316 1.897 50 1 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccsc2)nnn1-c1nonc1N 15895317 ADWUOQJCXMMCLY-OCKHKDLRSA-N 417.499 1.680 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)c1 13862927 ORYVBGZLSVZQOS-AWEZNQCLSA-N 402.386 1.291 50 1 HDGF C=C1CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]1OO 525915042 GEAVRACREUWZDP-NMNZWYNJSA-N 422.430 1.631 50 1 HDGF biogenic O=C(CBr)NCCc1nc2[nH]c(O)nc(NCc3ccccc3)c-2n1 586971405 RSKSKHQNVGFPMO-UHFFFAOYSA-N 405.256 1.676 50 1 HDGF C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CCl)[C@H](O)[C@H]1O 36273192 RFSPFAGKJHMAJN-ITGZQMDBSA-N 403.870 1.727 50 1 HDGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1ccnc(Cl)c1 103229008 HJWANHAWGBVAOG-FYJGNVAPSA-N 422.894 1.910 50 1 HDGF CC(C)C[C@H](NC(=O)[C@@H](NC1=C(Cl)C(=O)c2ccccc2C1=O)C(C)C)B(O)O 1772583878 QQNURRGUHBILOE-HOCLYGCPSA-N 420.702 1.673 50 1 HDGF Cc1c2c(nn1CC(=O)N/N=C/c1ccccn1)-c1ccccc1S(=O)(=O)N2C 45254634 GFDUAADKFODVFS-SRZZPIQSSA-N 410.459 1.542 50 1 HDGF OC[C@H]1CN(C(=S)SSC(=S)N2CCCO[C@@H](CO)C2)CCCO1 1772642923 PLXPKYPDDBGORO-VXGBXAGGSA-N 412.624 1.104 50 1 HDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@H](O)[C@H]1O 64453764 LGVNWYADRODCOF-RCCFBDPRSA-N 407.338 1.845 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C/CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 145002708 QCTYKEDNIPKZDW-DXENHYRUSA-N 404.415 1.340 50 1 HDGF C[C@H](Cl)[C@@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2c(Cl)cc(Cl)cc21 963120537 JKFFLMNXBGCRRY-WNWIJWBNSA-N 417.724 1.990 50 1 HDGF N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@@]12c1ccccc1-c1nc3ccccc3nc12 1857744285 ZRPZUGGLHWKONF-QFIPXVFZSA-N 409.409 1.955 50 1 HDGF COC1=CC(=O)[C@]2([C@H](Cl)C[C@]34C(OC)=C(OC)C(=O)C[C@]23CCN4C)[C@H]1OC 2356397676 QHDJUCISALFSTI-FLYSZBIRSA-N 411.882 1.650 50 1 HDGF CC(C)[C@]1(O)[C@H](Cl)[C@H](C)[C@@]2(O)[C@@]3(C)CCC4=C(COC4=O)[C@@H]3C[C@@H]3O[C@@]32[C@@H]1O 70455289 KACDMUPVVMXZRN-ZJMVZOKBSA-N 412.910 1.534 50 1 HDGF biogenic,in-vitro COC(=O)C[C@@H](Br)[C@@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414606 NKRNRNZKPSJEMV-HSOHIQCKSA-N 413.220 1.681 50 1 HDGF CC(=O)N[C@@]1(C)[C@H](Cl)O[C@](C)(COC(C)=O)[C@](C)(OC(C)=O)[C@@]1(C)OC(C)=O 9970399 ADABPAUBQVJXID-ZBRFXRBCSA-N 421.874 1.442 50 1 HDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NC1CCOCC1 618018227 WKJJCDSYMKLEAB-ZBFHGGJFSA-N 403.614 1.852 50 1 HDGF COC[C@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@@H]1COC 1772642133 UFRHUTDVBLSOCA-RYUDHWBXSA-N 412.624 1.632 50 1 HDGF COc1ccc([C@H](CC(=O)O)NC(=O)NNC(=O)c2cccc(NC(=N)N)c2)cc1 13862933 VWXQFGQQZYTQPI-HNNXBMFYSA-N 414.422 1.161 50 1 HDGF C[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@](C)(O)CI 38159033 WFLYXBPKBJWWQJ-PHDIDXHHSA-N 404.030 1.035 50 1 HDGF Nc1nc(OCc2ccccc2)c2ncn(CCNC(=O)N(CCCl)N=O)c2n1 221744199 WFIOEKMZVNMZTQ-UHFFFAOYSA-N 418.845 1.919 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 39033697 YRUNQVZUGKDPML-PLJGCIOYSA-N 420.458 1.812 50 1 HDGF biogenic COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCCCl 40955531 WTXXKEPFHMWDDX-LBPRGKRZSA-N 400.884 1.644 50 1 HDGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(Cl)cc(B(O)O)c2)N1 962708572 ZSBXMYIOFKMTDK-CABCVRRESA-N 417.551 1.866 50 1 HDGF C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 103229802 BIUFRRZRABDWQX-TUAOUCFPSA-N 406.526 1.639 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)C(C)=CC)[C@@H]12 2356454731 VOLLLWYRXDPFJB-FUMNGEBKSA-N 418.442 1.732 50 1 HDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@H]3CC[C@@H]12 36387017 KDVOFUWWLDSETE-MSSVTEBBSA-N 421.494 1.174 50 1 HDGF CSCC[C@H](NS(=O)(=O)c1ccccc1)c1nc2ccc(C(=O)NN)cc2[nH]1 586935412 GZZYUBCRUQWYGR-HNNXBMFYSA-N 419.532 1.939 50 1 HDGF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@@H]21 2356464184 AOOCHXQRIWVTII-VOQVZEDJSA-N 410.850 1.968 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)CNC(=O)c1ccccc1C 618007905 MOBADQMDQUAWKD-HNNXBMFYSA-N 413.565 1.326 50 1 HDGF NC(=O)Cc1cc([N+](=O)[O-])ccc1CO[P@@](N)(=O)N(CCCl)CCCl 95572077 INRAROFLNJHVRX-RUZDIDTESA-N 413.198 1.986 50 1 HDGF CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@]2(O)OC1=O 257450348 IYBZGGXFPLMHRX-OPPHNWDSSA-N 416.898 1.655 50 1 HDGF endogenous,in-man COC[C@@H]1CN(C(=S)SSC(=S)N2CCO[C@@H](COC)C2)CCO1 1772656615 LXGCZPRUFNFYOU-TXEJJXNPSA-N 412.624 1.632 50 1 HDGF COc1ccccc1C1=C(C(F)(F)F)NN/C1=C1\C=CC(OCC(=O)NN)=CC1=O 103761643 VCFSZTIDJWMYKI-GZTJUZNOSA-N 422.363 1.360 50 3 HDGF Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n(CCCCCCCBr)c1=O 6521439 POAMBOPVGFIDPK-RRFJBIMHSA-N 419.316 1.305 50 1 HDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 254045443 KDVOFUWWLDSETE-LWBODLBHSA-N 421.494 1.174 50 1 HDGF N#C/C(=C\c1ccc(O)cc1)C(=O)NCCNC(=O)/C(C#N)=C/c1ccc(O)cc1 13676670 DTGFBXLIMHWSKD-JYFOCSDGSA-N 402.410 1.844 50 1 HDGF COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2sccc2CSC#N)n1 103178145 PYSBMWDJUDOLTH-UHFFFAOYSA-N 415.478 1.780 50 1 HDGF Cc1cnc(C(=O)N2CCC[C@@H](C(=O)NCCSSCCN(C)C)C2)cn1 618007815 JMGJTFLPGCWSRD-OAHLLOKOSA-N 411.597 1.696 50 1 HDGF O=C1C[C@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 473113078 HPAQMDHJDAJMJQ-SSDOTTSWSA-N 410.158 1.119 50 1 HDGF CCOc1nc(/N=N/N(C)C(=O)Oc2ccc(S(N)(=O)=O)cc2)nc2[nH]cnc12 1772656590 KJHITZLZZXOTQC-QURGRASLSA-N 420.411 1.529 50 1 HDGF Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCBr)c1=O 31904733 VNLZHFGIBSIFIB-IJLUTSLNSA-N 402.249 1.452 50 1 HDGF Cc1c2c(nn1CC(=O)N/N=C/c1cccnc1)-c1ccccc1S(=O)(=O)N2C 45245968 GUDDMCVLQATERA-SRZZPIQSSA-N 410.459 1.542 50 1 HDGF O=C(N/N=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)N/N=C\C=C/c1ccccc1 169341123 LIXQPTNMBCCLLW-CWQLAYPVSA-N 406.442 1.339 50 1 HDGF C/C(NNC(=O)c1nnn(-c2nonc2N)c1-c1ccccc1)=C1/C=CC=CC1=O 100613828 MDQCPXHEZBUQNQ-ACCUITESSA-N 404.390 1.103 50 3 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@@]2(O)OC1=O 86010737 IYBZGGXFPLMHRX-QJUBAHBJSA-N 416.898 1.655 50 1 HDGF in-man Cn1cc(C(=O)c2cncc(N(N)C(=O)Cc3n[nH]c4c3CCC4)c2)c2cncnc21 169686334 RXDKGXXYWIVJCZ-UHFFFAOYSA-N 416.445 1.256 50 1 HDGF COC(=O)C[C@@H](Br)[C@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587376898 YLVMQFGBPRTPGU-WBMJQRKESA-N 400.225 1.781 50 1 HDGF Cc1nc[nH]c1C(=O)N/N=C1\S[C@@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1 64479893 ODMAECSCGBJXGF-UTSGGKDNSA-N 407.839 1.996 50 1 HDGF NS(=O)(=O)c1cccc(NCC(=O)N/N=C/c2c(Cl)cncc2Cl)c1 201288231 QDNSHFHBLOTJEL-DENHBWNVSA-N 402.263 1.598 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@]3(C)O[C@@H]3C)[C@@H]12 523041417 ARCCFNGRPFPGMT-MGSGGWIRSA-N 418.442 1.971 50 1 HDGF biogenic CN1N=C[C@]2(c3scnc3C[C@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@H](Cl)C1=O 963141918 LEDYAMZCNAKDIB-XIZWVBILSA-N 414.871 1.650 50 1 HDGF CC(C)[C@@]1(O)[C@H](O)[C@]23O[C@H]2C[C@H]2C4=C(CC[C@@]2(C)[C@@]3(O)[C@@H](C)[C@H]1Cl)C(=O)OC4 2356670975 KACDMUPVVMXZRN-ZJXWNMQNSA-N 412.910 1.534 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(COC(C)=O)CCC=C(C=O)[C@H]1O 2356610908 BVXBBBQHAJQZJL-HCXYKTFWSA-N 404.415 1.342 50 1 HDGF Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1 1772626993 XMBCRKZUDMXCIW-UHFFFAOYSA-N 424.482 1.822 50 1 HDGF COc1ccc(-c2cc(C(=O)NN)n(C[C@H](O)COc3ccccc3OC)n2)cc1 40413768 MXXYBFASRXOQDX-HNNXBMFYSA-N 412.446 1.611 50 1 HDGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@H](c2cccc(B(O)O)c2F)N1 963171664 BPKNGGNVZYZDAQ-ABAIWWIYSA-N 417.551 1.866 50 1 HDGF O=C(NNc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cnc(O)nc2O)cc1 1857759944 URLHXGFIZHMZOQ-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF O=C(CCl)Nc1cc(OCCO)c2c(c1)C(=O)c1cccc(OCCO)c1C2=O 1911583873 IFRSDNDTTUISGD-UHFFFAOYSA-N 419.817 1.382 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccccc1F)B(O)O 195469842 AVBREPVMCQRXNR-MSOLQXFVSA-N 401.247 1.625 50 1 HDGF O=c1oc2ccccc2c2nn(CN3CCN(S(=O)(=O)CCCCl)CC3)cc12 1857595708 ICJSONDHEFOQLB-UHFFFAOYSA-N 424.910 1.677 50 1 HDGF CN(C)CCSSCCNC(=O)c1cc(S(N)(=O)=O)c(F)cc1Cl 618007623 CJIUVIOEYNZKPZ-UHFFFAOYSA-N 415.965 1.799 50 1 HDGF O=C(Cc1ccccc1B(O)O)N1CCC(COc2ccc(C(F)(F)F)cn2)CC1 1772633201 IUWWHRXHZLAQCG-UHFFFAOYSA-N 422.212 1.640 50 1 HDGF O=C(CCc1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1772644276 HQGBVBNVYJPSRF-UHFFFAOYSA-N 422.212 1.783 50 1 HDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1ccccn1)B(O)O 195099088 QCHDBUKWZDCJFY-ROUUACIJSA-N 401.247 1.105 50 1 HDGF Cn1c(SCC(=O)N/N=C/[c-]2cc([N+](=O)[O-])ccc2=O)nnc1-c1ccccc1 169693300 YAAWKHJLLIVIMN-VXLYETTFSA-N 411.423 1.712 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2[C@@H](O)C(=C)CCC=C(C=O)[C@H]1OC(C)=O 2356444262 QCTYKEDNIPKZDW-QTMHVTGLSA-N 404.415 1.340 50 1 HDGF COc1cccc(-c2c(C(=O)N/N=C(/C)c3ccncc3)nnn2-c2nonc2N)c1 15894632 LADZMIJKHDNJPA-JJFYIABZSA-N 419.405 1.457 50 1 HDGF COc1ccc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N/N=C/c2ccc(O)cc2)cc1 45339419 FWNPWYOEYSIHDL-AZCDICLMSA-N 407.430 1.615 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cnccn1)c1cccc(F)c1)B(O)O 195474550 MYZNBHBWJRKDJX-RDJZCZTQSA-N 402.235 1.020 50 1 HDGF O=C1NC(=O)[C@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(F)c(B(O)O)c(F)c3)N12 962660380 HGXVGIPXEYZBJK-WIYYLYMNSA-N 412.201 1.381 50 1 HDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCN(C)CC1 618018103 SWJIXNREFHYSQM-CVEARBPZSA-N 402.630 1.331 50 1 HDGF C[C@@]1(c2ccccc2B(O)O)N[C@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186453 QPGOIHHGUDXLTE-GUYCJALGSA-N 413.588 1.901 50 1 HDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1)B(O)O 195102656 STAOAQFVLBKEQI-PMACEKPBSA-N 411.311 1.640 50 1 HDGF COc1ccccc1[C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c1cccnc1 195462180 NIWWBSSJGIGNCE-HKUYNNGSSA-N 413.283 1.494 50 1 HDGF CO/C(O)=C(/C#N)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(C)=O 101244278 BRCSPEHNUIARNQ-GFJATJHQSA-N 401.463 1.773 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)CNC(=O)c1ccc(C)cc1 618007882 MAAILJLJZLINLE-HNNXBMFYSA-N 413.565 1.326 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](O)C(C=O)=CCCC(COC(C)=O)=C[C@H]2OC(=O)C(=C)[C@H]12 253637637 BVXBBBQHAJQZJL-XWSJACJDSA-N 404.415 1.342 50 1 HDGF COc1cccc(F)c1S(=O)(=O)NNC(=O)c1cc(C)cc(-n2cccn2)c1 1857547835 UXXMMSNXUCLXFS-UHFFFAOYSA-N 404.423 1.952 50 1 HDGF CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](Br)c3ccccc3)C(=O)N2[C@H]1C(=O)O 27092932 KLPNLBTUMYQCKF-NJBDSQKTSA-N 413.293 1.754 50 1 HDGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2ccc(B(O)O)c(Cl)c2)N1 962696251 KJWHYLNSKIBEIE-HUUCEWRRSA-N 417.551 1.866 50 1 HDGF Cc1c(C(=O)NNS(=O)(=O)c2ccccc2)nnn1Nc1ccc(Cl)cc1 66074585 IHMYBRUSLHIPHR-UHFFFAOYSA-N 406.855 1.738 50 1 HDGF NCCCC[C@H](NC(=O)CN(C(=O)CCc1ccccc1)c1ccccc1)B(O)O 170114952 NZEDSGTYZINZBH-FQEVSTJZSA-N 411.311 1.278 50 1 HDGF O=C(CBr)NCCc1nc2cc(I)cnc2[nH]1 586970427 AMMBUDYIJGSSDX-UHFFFAOYSA-N 409.025 1.616 50 1 HDGF CCOC(=O)C1=c2s/c(=C/c3ccco3)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccco1 5790873 NSYXCWYWACQNOH-AAWPKVBNSA-N 409.423 1.087 50 1 HDGF C=C1[C@H](OCC)O[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 238788484 BICLPYSYJBRDPW-QKAVBZAFSA-N 420.886 1.503 50 1 HDGF CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C=C2/C=CC(=O)C(O)=C2O)c1 13120262 KISWAJXGCMUHFC-QBFSEMIESA-N 407.448 1.302 50 1 HDGF COc1ccc2oc(=O)cc(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)c2c1 473130626 LFLKHZKJKUPNTK-UHFFFAOYSA-N 403.416 1.135 50 1 HDGF N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCO[P@](=O)(N(CCCl)CCCl)N1 102210515 ZPXDQSCPFYGEEG-JZXAWVDUSA-N 423.281 1.896 50 1 HDGF CCOCCOC(=O)/C(C#N)=C(\NCc1ccc(N2CCOCC2)nn1)SC 103209047 NVWKSEBJFZCFMB-BMRADRMJSA-N 407.496 1.081 50 1 HDGF O=S(=O)(c1ccccc1)c1csc(S(=O)(=O)c2cccc(B(O)O)c2)c1 195352817 TZGXRXSQPKVHET-UHFFFAOYSA-N 408.287 1.094 50 1 HDGF COC[C@@H]1CN(C(=S)SSC(=S)N2CCO[C@H](COC)C2)CCO1 1772656614 LXGCZPRUFNFYOU-RYUDHWBXSA-N 412.624 1.632 50 1 HDGF C=C(C)C(=O)O[C@@H]1/C=C(\C=O)[C@H](OCC)CC[C@@]2(CO2)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 157045147 GAWRDTKAAVLEAK-AHWUAUNOSA-N 406.431 1.026 50 1 HDGF C=CC[C@]1(COC(C)=O)C[C@H](OC(=O)C(=C)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1C(=C)C=O 2356332975 LBTSJHQUUHYYAG-FEEZOJJESA-N 418.442 1.445 50 1 HDGF C[C@]1(c2ccc(B(O)O)s2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691149 BEGASNDWNNEKQS-ABAIWWIYSA-N 403.162 1.448 50 1 HDGF Cc1cccc(C)c1NC(=O)CCCC(=O)[C@H]1CCC/C1=N\NC(=O)C(=O)NN 102953137 WYVUVYINWZFKOG-CXQBGCSHSA-N 401.467 1.244 50 1 HDGF O=Cc1cc(B(O)O)c(F)c([C@@H]2c3ccccc3C[C@]3(C4CCC4)C(=O)NC(=O)N23)c1 962635147 INJMKRTYPPWGFN-UGKGYDQZSA-N 422.221 1.054 50 1 HDGF CC(C)[C@]1(O)[C@H](Cl)[C@H](C)[C@]2(O)[C@]3(C)CCC4=C(COC4=O)[C@@H]3C[C@@H]3O[C@]32[C@@H]1O 2356670972 KACDMUPVVMXZRN-KRLBCNSTSA-N 412.910 1.534 50 1 HDGF C=C1C(=O)O[C@H]2[C@@H]1[C@@H](OC(=O)C(C)=CC)[C@@H](O)C(C(=O)OC)=CCCC(=C)[C@H]2OO 2356670238 GEAVRACREUWZDP-AVEIZBFRSA-N 422.430 1.631 50 1 HDGF C=C1C(=O)O[C@H]2[C@H]1[C@@H](OC(=O)C(C)C)[C@@H](OC(C)=O)[C@@](C)(O)[C@@H]1C=C[C@@](C)(OO)[C@H]21 95912398 MFFDNJQADQPGPW-OICLODOSSA-N 424.446 1.399 50 1 HDGF biogenic,in-vitro C[C@H](Cl)[C@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2c(Cl)cc(Cl)cc21 963120535 JKFFLMNXBGCRRY-QPFGOUBPSA-N 417.724 1.990 50 1 HDGF COC1(OC)C(Br)=C[C@](O)(CC#N)[C@H](OC(C)=O)[C@H]1Br 2356792082 JHHXWODAWSIAOW-GMTAPVOTSA-N 413.062 1.608 50 1 HDGF O[C@@H]1CO[C@@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H]1O 64448709 SMYMEWOBNKYESD-BRSBDYLESA-N 423.337 1.033 50 1 HDGF NNC(=O)c1ccc2nc(Cn3nnc(-c4ccc(C(F)(F)F)cc4)n3)[nH]c2c1 587112589 KJQZOQLGZVHHSO-UHFFFAOYSA-N 402.340 1.887 50 1 HDGF CC(=O)Oc1ccccc1C(=O)OCC(=O)OCCSSCCO[N+](=O)[O-] 45298940 AWUANFOOFXVPRO-UHFFFAOYSA-N 419.433 1.902 50 1 HDGF CCN[P@](=O)(CCl)OC[C@H]1O[C@@H](n2cc(C)c(=O)[nH]c2=O)C[C@@H]1N=[N+]=[N-] 73141912 JQHOKWGKPXYDBH-PMMHVHRZSA-N 406.767 1.827 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@@H]1C[C@H](O)[C@@H](CCl)O1 26646337 YYHSTHHJNVFONA-FNJFGRIQSA-N 402.636 1.077 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@H](O)C(C=O)=CCCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356610909 BVXBBBQHAJQZJL-MANSERQUSA-N 404.415 1.342 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@@H]1C[C@H](O)[C@H](CCl)O1 40701284 YYHSTHHJNVFONA-LCPQYMRASA-N 402.636 1.077 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@@H]12 2356579398 BIPHVHCLTIDQTE-HLDVRSIZSA-N 412.866 1.100 50 1 HDGF C=C1CC/C=C(/C(=O)OC)[C@H](O)[C@@H](OC(=O)/C(C)=C\C)[C@H]2C(=C)C(=O)O[C@@H]2[C@H]1OO 238747345 GEAVRACREUWZDP-NNJZSOELSA-N 422.430 1.631 50 1 HDGF CN/C(S)=C(/C#N)C(=O)Nc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1 1911579680 VJANCNFEFSEBLD-DTQAZKPQSA-N 407.477 1.915 50 1 HDGF CCCCNC(=S)Nc1nc(C(=O)NNS(=O)(=O)c2ccccc2)cs1 1647809 QTSZBVMCGUDLCG-UHFFFAOYSA-N 413.550 1.853 50 1 HDGF CC(=O)Nc1cc(NC(C)=O)cc(N/C(C)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 169320125 VVMVNJJMOVBMQJ-NVNXTCNLSA-N 401.375 1.774 50 1 HDGF COCC1=CO[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 205240394 IYLQGDSHIOLYHP-PEJOBZMASA-N 406.859 1.115 50 1 HDGF C=C1C[C@H](OC(=O)/C(C)=C/C=O)[C@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@H]1C[C@H](O)[C@]2(O)CCl 13386719 QFRPCGYYWUHGHK-LRJNHNEYSA-N 410.850 1.068 50 1 HDGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1 103197033 XBNLYUYJVIJYAM-IRXDYDNUSA-N 400.306 1.569 50 1 HDGF O=C1C[C@@H](CBr)N1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 473113079 HPAQMDHJDAJMJQ-ZETCQYMHSA-N 410.158 1.119 50 1 HDGF C=C1[C@H](OC)O[C@@H](OC(=O)CC(C)C)[C@@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 238770877 PZLXIRWNABRWFB-UGSRVDBUSA-N 406.859 1.113 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@@H](O)c1ccc(OC)cc1 618007788 IFYFSFZCSUKYDW-GJZGRUSLSA-N 402.538 1.329 50 1 HDGF O=C(NNC(=O)c1ccc(CNS(=O)(=O)c2cccnc2)cc1)c1ccccc1 1772637030 QVNSJMHJIBSGMS-UHFFFAOYSA-N 410.455 1.635 50 1 HDGF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSSCc2ccccc2)[C@@H](O)[C@H]1O 58638432 DBQUNXDCOIKHGM-LSCFUAHRSA-N 405.505 1.609 50 1 HDGF in-vitro COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H]1OOC[C@@H](O)[C@H]1OC(=O)c1ccccc1 2356517109 XEIKPWIQHYMQDA-BRSBDYLESA-N 416.382 1.302 50 1 HDGF O=C(NCCCO)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 43562036 FUZARKQMGNZWNR-UHFFFAOYSA-N 409.226 1.899 50 1 HDGF CC(C)(C)OC(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)NCCCc1ccccc1 45290395 KYMZLMLXIBIAKC-VAWYXSNFSA-N 404.467 1.045 50 1 HDGF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CCC[C@H]3CCBr)N2C(=O)[C@@H]2CCCN12 963225459 UVWUNYNFYIKJTI-CQEJWKIFSA-N 407.312 1.948 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cnccn1)c1cccc(F)c1)B(O)O 195474547 MYZNBHBWJRKDJX-WBVHZDCISA-N 402.235 1.020 50 1 HDGF COc1ccc(OC)c(CN2CCN(CC(=O)N/N=C/c3ccccc3O)CC2)c1 45245476 PQHDUICIPQVJQI-OEAKJJBVSA-N 412.490 1.677 50 1 HDGF COC[C@@H]1COCCN1C(=S)SSC(=S)N1CCOC[C@H]1COC 1772653747 UFRHUTDVBLSOCA-VXGBXAGGSA-N 412.624 1.632 50 1 HDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@@](CBr)(C(=O)CBr)N1 962900553 IVQDJWLKRFZUTO-TVQRCGJNSA-N 409.049 1.979 50 1 HDGF O=C(NN=CC=Cc1ccccc1)[C@@H](O)[C@H](O)C(=O)NN=CC=Cc1ccccc1 1857622571 LIXQPTNMBCCLLW-PMACEKPBSA-N 406.442 1.339 50 1 HDGF CCCC[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1cccc(OC)c1)B(O)O 195470955 GRQSQTHOHJUPDC-MOPGFXCFSA-N 413.283 1.638 50 1 HDGF O=C(Cc1ccccc1B(O)O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 1772656066 UNDJYUCDYIXTGU-UHFFFAOYSA-N 408.185 1.393 50 1 HDGF C[C@H](N)C(=O)NN(C)C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 299832490 HEYJUFWBOZTKEQ-LPHOPBHVSA-N 423.517 1.787 50 1 HDGF O=C1C[C@H]2SS[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)c1cc2cc(O)ccc2n1C4=O 1911585230 UKMJCOXENYPZIK-KFWNZVQASA-N 402.453 1.625 50 1 HDGF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC(=O)[C@]2(O)CCl)[C@]12C[C@@H](c1ccoc1)O[C@H]2O 2356689846 BANUAIXXNPGYQT-YUHBELALSA-N 414.882 1.374 50 1 HDGF COc1ccc(/C=N/NC(=O)C2=C(O)c3ccccc3S(=O)(=O)N2)cc1OC 40913986 DUJLTSHSRLJEME-VXLYETTFSA-N 403.416 1.373 50 1 HDGF CC(=O)Nc1cc(NC(C)=O)cc(N/C(O)=C2\C(=O)OC(=O)C(C(C)=O)=C2O)c1 169336528 ISMGVXVPLSAJMM-JQIJEIRASA-N 403.347 1.269 50 1 HDGF C[C@@]1(c2ccccc2B(O)O)N[C@@H](C(=O)O)Cc2ccc(Cl)c(C(F)(F)F)c21 963186449 QPGOIHHGUDXLTE-DYVFJYSZSA-N 413.588 1.901 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C\CCC(=C)[C@H](O)[C@H]2OC(=O)C(=C)[C@@H]21 13585323 QCTYKEDNIPKZDW-QHWUSFJTSA-N 404.415 1.340 50 1 HDGF biogenic,in-vivo C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCC[C@]2(C)O[C@@H]2[C@@H]2OC(=O)C(=C)[C@H]12 2356400479 AIMNWAPJFFOMOT-MBPYKEKKSA-N 404.415 1.580 50 1 HDGF COC1=C/C(=C/NNC(=O)c2ccc3c(c2)OCCO3)C=C(Br)C1=O 16195007 XJGPHBGKBATATK-MDZDMXLPSA-N 407.220 1.968 50 3 HDGF CC1=C2[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@H]3C)C[C@]2(O)OC1=O 100780133 IYBZGGXFPLMHRX-XEPIVXLBSA-N 416.898 1.655 50 1 HDGF endogenous,in-man O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(F)ccc2B(O)O)N1 962699452 OLIOYXGPGMQMCO-CABCVRRESA-N 401.096 1.352 50 1 HDGF COc1ccc([C@H]2[C@@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857563675 WKBIUTMXUDXDQX-SJORKVTESA-N 412.837 1.571 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@@H]1C[C@@H](O)[C@H](CCl)O1 3653310 YYHSTHHJNVFONA-QGWSBBHFSA-N 402.636 1.077 50 1 HDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO[P@](=O)(CCl)N(C)C)O2)c(=O)[nH]c1=O 73164600 JVGXJUPPFOPIJC-GXBZLWKFSA-N 406.767 1.779 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@@]3(C)[C@H]12 2356579396 BIPHVHCLTIDQTE-CEUHPVQQSA-N 412.866 1.100 50 1 HDGF O=C(O)[C@@H]1Cc2cccc(F)c2[C@H](c2cc(OCc3ccccc3)ccc2B(O)O)N1 962891282 DDCJPLXNFLHHMI-UNMCSNQZSA-N 421.233 1.773 50 1 HDGF CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@]3(C)[C@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O 257450349 IYBZGGXFPLMHRX-OWNILPBXSA-N 416.898 1.655 50 1 HDGF endogenous,in-man COC1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@]32CCN4C)[C@@H]1OC 34168047 QHDJUCISALFSTI-XXLQSDOLSA-N 411.882 1.650 50 1 HDGF NNC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)NC[C@@H]4CCCO4)cc3)nc2c1 586947444 YSCDGXNVACETDZ-AWEZNQCLSA-N 415.475 1.291 50 1 HDGF CC(C)O[C@H](CCCCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O 29212027 HFDCMEAUHKPUMH-GFCCVEGCSA-N 407.830 1.701 50 1 HDGF COc1ccc(N2C(=O)[C@@H](CC(=O)O)S/C2=N\NC(=O)c2[nH]cnc2C)cc1 64531856 WRPJMGZSYNHSQQ-ZZNSHVFXSA-N 403.420 1.351 50 1 HDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@H]1OC[C@@H](O)[C@@H]1O 64453760 LGVNWYADRODCOF-SQNIBIBYSA-N 407.338 1.845 50 1 HDGF CC(=O)OC[C@]12CCC(C)=C[C@H]1O[C@H]1[C@H](O)[C@@H](OC(=O)CCl)[C@@]2(C)[C@@]12CO2 100954576 DCATUCBGDGFFMP-OOXNMXKUSA-N 400.855 1.344 50 1 HDGF CN(C)CCN1C(=O)c2cccc3cc(NC(=O)NC(=O)CCl)cc(c23)C1=O 28712242 XQQNOXNPNIPCQR-UHFFFAOYSA-N 402.838 1.884 50 1 HDGF CC(C)O[C@@H](CCCCNC(=O)N(CCCl)N=O)n1cc(F)c(=O)[nH]c1=O 29212023 HFDCMEAUHKPUMH-LBPRGKRZSA-N 407.830 1.701 50 1 HDGF CC(=O)O[C@@H]1CC=C(C=O)[C@](C)([C@H](OC(=O)C(C)C)C2=C(C)C(=O)O[C@@H]2O)[C@H]1C 2356508356 GBLJRCNXXBNAET-DCJANAHHSA-N 408.447 1.849 50 1 HDGF CN1C[C@@H](O)C2=CC(=NNC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513129 HOWXXVFJHFRJRM-XMSQKQJNSA-N 408.458 1.424 50 1 HDGF C=C1C(=O)O[C@H]2/C=C(/C)[C@@H](Cl)C[C@H]3O[C@@]3(C)C[C@@H](OC(=O)[C@@](C)(O)[C@H](C)O)[C@@H]12 238754143 WEVOOBRFSCEKNH-LWCVQNSHSA-N 414.882 1.633 50 1 HDGF C=C(C)C(=O)O[C@@H]1C=C(C=O)[C@H](OCC)CC[C@]2(CO2)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12 2356618114 GAWRDTKAAVLEAK-MBPYKEKKSA-N 406.431 1.026 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@]21O 2356477394 VCAKAFVZYNRGKS-MJLSJUQGSA-N 412.866 1.004 50 1 HDGF C=C(CO)C(=O)O[C@@H]1CC(COC(C)=O)=CCCC(C=O)=C[C@@H]2OC(=O)C(=C)[C@H]21 2356507994 NVEYSKFDXKUOIS-IPMKNSEASA-N 404.415 1.343 50 1 HDGF CCOc1nc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)cc(N)c1/C=C/C#N 38145072 JIYYYSRFLXRKAB-SNAWJCMRSA-N 400.460 1.933 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cnccn1)c1cccc(Cl)c1)B(O)O 195464449 QUTWWFZJYSDTOM-RDJZCZTQSA-N 418.690 1.534 50 1 HDGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@H](c2cc(F)ccc2B(O)O)N1 962699459 OLIOYXGPGMQMCO-LSDHHAIUSA-N 401.096 1.352 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2[C@@H](O)C(=C)CCC=C(C=O)[C@H]1OC(C)=O 2356444261 QCTYKEDNIPKZDW-OYSTVDSJSA-N 404.415 1.340 50 1 HDGF COc1ccc(OC)c2c1C[C@@H](C)N[C@]21C(C=O)=C2C=C(C)OC=C2[C@H](O)[C@@]1(C)O 963612578 SLXBEHPQNASCHE-FXLCSRCBSA-N 413.470 1.872 50 1 HDGF C=C1C[C@H](OC(=O)C(C)=CC=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CCl 2356535219 QFRPCGYYWUHGHK-UQSYLFMPSA-N 410.850 1.068 50 1 HDGF CC=C(CO)C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C=CC(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@H]21 2356457912 BIFNFWDORRWVPK-XVSWOPEYSA-N 412.866 1.412 50 1 HDGF COC1=CC(=O)/C(=C(\C)NNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)C=C1 104376213 LXYAJSCFQTZNJC-NBVRZTHBSA-N 417.487 1.649 50 3 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@@H]1O 101211635 JCAVHDDDZIXFHB-PWYGRWJGSA-N 414.293 1.938 50 1 HDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 254045450 KDVOFUWWLDSETE-XCESXACESA-N 421.494 1.174 50 1 HDGF NS(=O)(=O)c1cccc(-n2cc(CNC(=O)Nc3cccc(CCl)c3)nn2)c1 96908816 CNNKYQNSJYNAEI-UHFFFAOYSA-N 420.882 1.975 50 1 HDGF NS(=O)(=O)c1c(F)c(F)c(-n2cc(CCBr)nn2)c(F)c1F 299828898 JMWBFQICPMCBHK-UHFFFAOYSA-N 403.155 1.409 50 1 HDGF C=C(CO)C(=O)O[C@@H]1[C@@H](OC(C)=O)/C(C=O)=C\CC/C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12 238768723 XMNUDDSNCGBGOZ-IHDYTHISSA-N 404.415 1.342 50 1 HDGF biogenic C=C1C(=O)O[C@@H]2C=C(C)[C@H](Cl)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@@H]12 2356683471 WEVOOBRFSCEKNH-MMJHFMQUSA-N 414.882 1.633 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@@H](C)CC)[C@@H]12 197452102 YRUNQVZUGKDPML-VSWMZFLNSA-N 420.458 1.812 50 1 HDGF biogenic O=C(CN1C[C@@H](c2ccccc2)CC1=O)NN/C=C1\C=C(Br)C=CC1=O 13122231 MCCCGOVJEIASGE-IPJDOKCGSA-N 416.275 1.925 50 3 HDGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)C(C=O)=CCCC(=C)[C@H](O)[C@@H]2OC(=O)C(=C)[C@@H]12 2356444263 QCTYKEDNIPKZDW-ZRSRNVLSSA-N 404.415 1.340 50 1 HDGF Cc1nn(CC(=O)NN)c(C)c1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587878806 ALJINUVSPLWXFQ-UHFFFAOYSA-N 408.289 1.507 50 1 HDGF CC[N+]1(C[C@]2(c3cc(B(O)O)ccc3Cl)NCCc3ccc(F)c(C)c32)CC1 962093027 OKYASBWETUGQPC-OAQYLSRUSA-N 403.714 1.707 50 1 HDGF COC1=CC(=O)[C@@]2([C@@H]1OC)[C@H](Cl)C[C@]13C(OC)=C(OC)C(=O)C[C@]21CCN3C 2356397678 QHDJUCISALFSTI-PPOOEBMNSA-N 411.882 1.650 50 1 HDGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(O)ccc1O 1857756068 CQGGEUICSGZJDO-DEDYPNTBSA-N 419.459 1.273 50 1 HDGF CC(C)[C@@]1(O)[C@H](O)[C@@]23O[C@H]2C[C@H]2C4=C(CC[C@@]2(C)[C@@]3(O)[C@@H](C)[C@H]1Cl)C(=O)OC4 2356670973 KACDMUPVVMXZRN-PZXPEYDZSA-N 412.910 1.534 50 1 HDGF O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CB(O)O)c1ccccc1)c1cnccn1 653729200 CGMIFFSWGJGLOX-RBUKOAKNSA-N 418.262 1.148 50 1 HDGF OC[C@@H]1CN(C(=S)SSC(=S)N2CCCO[C@@H](CO)C2)CCCO1 1772642921 PLXPKYPDDBGORO-TXEJJXNPSA-N 412.624 1.104 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@@H](OC(=O)/C(C)=C/C)C[C@@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@@]21O 14924454 VCAKAFVZYNRGKS-USGZBXGSSA-N 412.866 1.004 50 1 HDGF Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 915457 LIWPBCMTFMUXJG-AWEZNQCLSA-N 409.899 1.972 50 3 HDGF N[C@H](CCCCNC(=O)Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC[C@H]1C(=O)O 78938580 XECWFUGQRJPWRP-CABCVRRESA-N 408.411 1.256 50 1 HDGF in-vitro Cc1c(I)cnn1[C@H](C)c1nc2ccc(C(=O)NN)cc2[nH]1 587181878 GQXHGCIXBFVTJS-MRVPVSSYSA-N 410.219 1.885 50 1 HDGF Cc1cccc(NNC(=O)c2ccc(NS(=O)(=O)c3cnc(O)nc3O)cc2)c1 1857747718 RDWAKRUVPFLTIK-UHFFFAOYSA-N 415.431 1.754 50 1 HDGF C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)C(C)(C)O)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O 35086409 YLSANYPALPIPQU-DYZKBYPLSA-N 406.431 1.276 50 1 HDGF Cc1nc[nH]c1C(=O)N/N=C1\S[C@H](CC(=O)O)C(=O)N1c1ccc(Cl)cc1 64479894 ODMAECSCGBJXGF-CSQSHRMHSA-N 407.839 1.996 50 1 HDGF Cc1cc2c(cc1O)[C@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)N[C@H](C(=O)O)C2 963473109 RCLBESNQWBMQRU-BTYIYWSLSA-N 415.877 1.972 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(COC(=O)C(C)=CC=O)CCC=C(CO)C[C@@H](OC(C)=O)[C@@H]12 2356663198 XUHYPIDKUUNCKX-VAMGGRTRSA-N 418.442 1.733 50 1 HDGF O=C1OC(=O)[C@H]2[C@@H]1[C@@H]1C(c3ccccc3)=C(c3ccccc3)[C@]2(O)[C@@H]2C(=O)OC(=O)[C@@H]12 254130809 GWQMHYUJTIVKRW-KAUBEESZSA-N 416.385 1.604 50 1 HDGF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@](O)(CCl)[C@H]21 2356464183 AOOCHXQRIWVTII-LEBLXQRQSA-N 410.850 1.968 50 1 HDGF CN(C)CCSSCCNC(=O)C1CCN(C(=O)c2cccnc2O)CC1 618007700 FHHSCOLTZIRCRY-UHFFFAOYSA-N 412.581 1.699 50 1 HDGF CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513124 HOWXXVFJHFRJRM-PRCYTOTGSA-N 408.458 1.424 50 1 HDGF O=C(NNC(=O)[C@H]1C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 1772595693 NDUXYNAPCXFEEU-CYBMUJFWSA-N 415.793 1.392 50 1 HDGF CCOc1ccc(-c2nn(C(=O)CC(=O)NN)c(=O)c3ccccc23)cc1OCC 587671320 MZBMZBQWXCYKQV-UHFFFAOYSA-N 410.430 1.881 50 1 HDGF C=C(C)C(=O)O[C@H]1[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]2O[C@@]2(C)CCC=C(C=O)[C@H]1OC(C)=O 2356400478 AIMNWAPJFFOMOT-CMORYLQASA-N 404.415 1.580 50 1 HDGF O=C(O)[C@@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(Cl)cc(B(O)O)c2)N1 962708579 ZSBXMYIOFKMTDK-LSDHHAIUSA-N 417.551 1.866 50 1 HDGF CC(C)C[C@H](NC1=CC(=O)c2ccccc2C1=O)C(=O)N[C@@H](CC(C)C)B(O)O 1772583273 BQSQDWRAKLOTAU-HKUYNNGSSA-N 400.284 1.497 50 1 HDGF Cc1cccc(C)c1NC(=O)CCCC(=O)[C@@H]1CCC/C1=N\NC(=O)C(=O)NN 102953135 WYVUVYINWZFKOG-YJMCUSNWSA-N 401.467 1.244 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(COC(=O)C(C)=CC=O)CCC=C(CO)C[C@H](OC(C)=O)[C@H]12 2356663200 XUHYPIDKUUNCKX-ZCNNSNEGSA-N 418.442 1.733 50 1 HDGF O[C@@H]1[C@@H](CCl)O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CC[C@@H]4C5)nc(Cl)nc32)[C@@H]1O 40915757 JCAVHDDDZIXFHB-OLPNOOBHSA-N 414.293 1.938 50 1 HDGF CN(C)CCSSCCNC(=O)[C@H]1CCCN(C(=O)c2ccc(O)cn2)C1 618010005 NNEZFGBYJKEGSB-AWEZNQCLSA-N 412.581 1.699 50 1 HDGF CN(C)CCSSCCNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 618009048 QPOITANVPKKNSN-OAHLLOKOSA-N 401.554 1.333 50 1 HDGF C[C@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)N[C@@H](C(=O)C(F)(F)F)Cc2ccccc21 962711263 LVOROUZUGLYPLI-RHSMWYFYSA-N 408.141 1.184 50 1 HDGF C=C1C[C@H](OC(=O)C(C)=CC=O)[C@@H]2C(=C)C(=O)O[C@@H]2[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CCl 2356535220 QFRPCGYYWUHGHK-WNTNUOBASA-N 410.850 1.068 50 1 HDGF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 587266931 QMNKACORQYMBGN-VXJOIVPMSA-N 415.366 1.517 50 1 HDGF COCCN1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)N/N=C2\C[C@H]4CC[C@]2(C)C4(C)C)[C@@H]3C1=O 1857611427 BQEOIWKFCLIAQJ-XQYFAJSNSA-N 401.507 1.733 50 1 HDGF C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)[C@](C)(O)CC)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O 35086407 UWNPZJZWGPJILE-LUPDBHJISA-N 420.458 1.666 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/C)[C@@H](Cl)C[C@H]3O[C@]3(C)C[C@@H](OC(=O)[C@@](C)(O)[C@@H](C)O)[C@@H]12 523041410 WEVOOBRFSCEKNH-IDIFQQBNSA-N 414.882 1.633 50 1 HDGF biogenic CC(C)C[C@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc(F)c([N+](=O)[O-])c1)B(O)O 1857541879 IZYFKBSMYSIBHP-ZBFHGGJFSA-N 411.239 1.421 50 1 HDGF O=C1C=CC(Br)=C/C1=C\NNC(=O)[C@H](c1ccncc1)N1CCOCC1 13121659 CGMBFFUQSLRQMT-VSOYFRJCSA-N 419.279 1.377 50 3 HDGF CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)C(C)=C[C@@H]2OC(=O)[C@@](O)(CCl)[C@@H]21 2356464181 AOOCHXQRIWVTII-GDNCQQSUSA-N 410.850 1.968 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(CO)CCC=C(C=O)[C@H](OC(C)=O)[C@H](OC(=O)[C@@H](C)CC)[C@H]12 2356576381 YRUNQVZUGKDPML-NRPZXZCKSA-N 420.458 1.812 50 1 HDGF COC([O])=c1ccc(=C2C=C3c4cc5c(cc4CCN3C(N)=C2C#N)OCO5)cc1 2356854859 JOPBEEYQVIIYJS-UHFFFAOYSA-N 400.414 1.315 50 1 HDGF COC1(OC)C(Br)=C[C@](O)(CC#N)[C@@H](OC(C)=O)[C@H]1Br 2356792084 JHHXWODAWSIAOW-OUAUKWLOSA-N 413.062 1.608 50 1 HDGF CC(=O)OCC1=C2[C@H](OC1=O)[C@@H]1O[C@@]1(C)CCC=C(C=O)C[C@H]2OC(=O)C(C)C 2356662298 KHZBZZREMZHCQN-NKMKZGIRSA-N 406.431 1.806 50 1 HDGF CC(C)[C@]12O[C@H]1[C@@H]1O[C@@]13[C@H]1CCC4=C(COC4=O)[C@@H]1C[C@@H]1O[C@@]13[C@@H]2OC(=O)CCl 49766639 JQWAKLWYPKRHND-UNSHKVLLSA-N 422.861 1.503 50 1 HDGF Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccoc2)c1CSc1ccccc1 33363258 BHMNBXRQXOOMAC-UWVJOHFNSA-N 410.419 1.882 50 1 HDGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1 103197036 XBNLYUYJVIJYAM-IAGOWNOFSA-N 400.306 1.569 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@H](CC(=O)O)c2ccc(Cl)cc2)c1 13862929 BGDLLUWAZFBMGD-CQSZACIVSA-N 418.841 1.805 50 1 HDGF Cc1ccc(C(=O)Nc2nnc(CC(=O)NN/C=C3/C=CC(=O)C(O)=C3)s2)cc1 12470946 VLHADGJJTQLKSX-BENRWUELSA-N 411.443 1.727 50 3 HDGF CCOC(=O)NN=C1C[C@H](O)[C@H](O)[C@@H]2[C@@H]1CC[C@H]1C(=O)N(C3CCCCC3)C(=O)[C@@H]12 8585708 KDVOFUWWLDSETE-UXCAXZQLSA-N 421.494 1.174 50 1 HDGF COC(=O)C[C@H](Br)[C@]1(C(=O)OC)CC(=O)c2cc(C)cc(N)c2O1 587376894 YLVMQFGBPRTPGU-LRDDRELGSA-N 400.225 1.781 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@@H](O)[C@@H]3C)C[C@@]2(O)OC1=O 86010739 IYBZGGXFPLMHRX-BPEZAHEXSA-N 416.898 1.655 50 1 HDGF in-man C[C@@]1(c2ccc(B(O)O)s2)N[C@@H](C(=O)O)Cc2c(C(F)(F)F)cc(F)cc21 962691154 BEGASNDWNNEKQS-IAQYHMDHSA-N 403.162 1.448 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)c1 13862928 ORYVBGZLSVZQOS-CQSZACIVSA-N 402.386 1.291 50 1 HDGF O=C(O)[C@H]1Cc2c(cc(F)cc2C(F)(F)F)[C@@H](c2cc(Cl)cc(B(O)O)c2)N1 962708577 ZSBXMYIOFKMTDK-HUUCEWRRSA-N 417.551 1.866 50 1 HDGF Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCBr)c1=O 29397522 SFDWIXVJVPNTJQ-JHJVBQTASA-N 416.276 1.842 50 1 HDGF C[C@@H](Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1)C(=O)NN 587886023 YXMXZRQKJGIRPM-LBPRGKRZSA-N 408.289 1.526 50 1 HDGF CCCc1c(O)ccc2c1O[C@](CCl)(C(=NOCC(=O)OC)C(=O)O)CC2=O 587460297 SRRSVPLPEFKYKK-GOSISDBHSA-N 413.810 1.918 50 1 HDGF CCCc1c(O)ccc2c1O[C@]1(C=C3C(=CC1=NNC(N)=O)[C@@H](O)CN3C)CC2=O 587475220 KNLQFERZXWMHKX-LAUBAEHRSA-N 412.446 1.203 50 1 HDGF C[C@H](O)CNC(=O)c1cc(N(CCCl)CCCl)c([N+](=O)[O-])cc1[N+](=O)[O-] 43562010 UETOZXHVQLHFQO-VIFPVBQESA-N 409.226 1.898 50 1 HDGF COC[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)N[C@@H](CC(C)C)B(O)O 1857767542 QZRBBSWQICQORE-KBPBESRZSA-N 405.087 1.281 50 1 HDGF CN1CCc2c(sc3nc(SCC(=O)NN)n(-c4cccc(F)c4)c(=O)c23)C1 28349899 CZIAXUYSNFKHGV-UHFFFAOYSA-N 419.507 1.656 50 1 HDGF CC(C)[C@]1(O)[C@H](Cl)[C@H](C)[C@@]2(O)[C@]3(O[C@H]3C[C@H]3C4=C(CC[C@]32C)C(=O)OC4)[C@@H]1O 2356670974 KACDMUPVVMXZRN-RTMVKRNLSA-N 412.910 1.534 50 1 HDGF CCCCC[C@@H]1[C@@H]2OC(C)=CC3=C(C=O)C(=O)[C@](C)(O)[C@@H]4[C@H](C(=O)OC)C(=O)[C@H]1[C@@]324 2356868317 XAHOFHHJQNUHFY-YETGSPOISA-N 416.470 1.919 50 1 HDGF C[C@@H](NC(=O)CI)C(=O)N[C@H](C)C(=O)OCc1ccccc1 169347996 MVFLYILBPUYDEJ-GHMZBOCLSA-N 418.231 1.174 50 1 HDGF COc1cccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)c1 195468862 BBEODJCLJHFBJM-MOPGFXCFSA-N 413.283 1.494 50 1 HDGF C=C1C[C@H](O)[C@@H]2[C@@](C)(COC(C)=O)C[C@H](O)C[C@]2(C)[C@@]12CC[C@]1(COC(=O)C1)OO2 238772909 BQRQUORTBMRQBJ-HOQRUEGKSA-N 424.490 1.820 50 1 HDGF COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H]1OOC[C@@H](O)[C@@H]1OC(=O)c1ccccc1 2356517112 XEIKPWIQHYMQDA-XMTFNYHQSA-N 416.382 1.302 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(/CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)[C@H](C)CC)[C@@H]12 39033696 YRUNQVZUGKDPML-YKDHLUARSA-N 420.458 1.812 50 1 HDGF biogenic CCCCn1c(=O)c2c(ncn2S(=O)(=O)CCCCl)n(CCCC)c1=O 2009567 RZJRUSAPSQVWEL-UHFFFAOYSA-N 404.920 1.767 50 1 HDGF CC1=CC2=NC(=O)/C(=C\NNC(=O)c3ccc(Br)cc3)C(=O)N2C=C1 103278685 IHPVRLCBFYFOGT-UKTHLTGXSA-N 401.220 1.808 50 1 HDGF C=C1C(=O)O[C@@H]2/C=C(\CO)CC/C=C(/C=O)[C@H](OC(C)=O)[C@@H](OC(=O)/C(C)=C\C)[C@@H]12 238756236 VOLLLWYRXDPFJB-NICZLPCSSA-N 418.442 1.732 50 1 HDGF CCn1c(Cn2ccc(C)n2)nnc1SCc1nc2ccc(C(=O)NN)cc2[nH]1 586964607 AEIFYNBAMJCUCV-UHFFFAOYSA-N 411.495 1.623 50 1 HDGF COc1ccc(F)c(S(=O)(=O)NNC(=O)c2cc(C)cc(-n3cccn3)c2)c1 1857611081 UCGHYWPISLLWEO-UHFFFAOYSA-N 404.423 1.952 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1ccc(F)cc1)B(O)O 195469756 HRIOTUPFYAFUCP-ROUUACIJSA-N 401.247 1.625 50 1 HDGF CCN1CCN(S(=O)(=O)C[C@@]2(C)[C@@H]3CC[C@@]2(C)C(=O)[C@@H]3Br)CC1 13147138 FYPXPXUQTCUDRK-VDERGJSUSA-N 407.374 1.723 50 1 HDGF COc1ccc(S(=O)(=O)NNC(=O)c2nnn(Nc3ccccc3)c2C)cc1 66076386 UDIHLEFXHKEYCM-UHFFFAOYSA-N 402.436 1.094 50 1 HDGF CCOC(=O)N/N=C1/C[C@@H](O)[C@@H](O)[C@H]2[C@@H]1CC[C@@H]1C(=O)N(C3CCCCC3)C(=O)[C@H]12 7998642 KDVOFUWWLDSETE-NKAZZIAVSA-N 421.494 1.174 50 1 HDGF NS(=O)(=O)c1ccc(NC(=O)NNS(=O)(=O)c2ccc(Cl)cc2)cc1 299832142 SBFNIWKGJOSMEH-UHFFFAOYSA-N 404.857 1.002 50 1 HDGF O=C1C=C/C(=C/NNC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)C=C1O 15953032 XDPHOMUWHMUGOS-YPKPFQOOSA-N 403.460 1.560 50 3 HDGF CCCN(CCC)Cc1c(C(=O)N/N=C\c2ccoc2)nnn1-c1nonc1N 61878118 GRUQXVFDQCBPEG-OCKHKDLRSA-N 401.431 1.211 50 1 HDGF CN1C[C@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513126 HOWXXVFJHFRJRM-QDHGUUOISA-N 408.458 1.424 50 1 HDGF N[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(-c4nccs4)c3n2)C[C@@H]1CCl 26252715 MLEYRGASMXKAFV-CABZTGNLSA-N 405.867 1.543 50 1 HDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCBr)c1=O 31904735 VNLZHFGIBSIFIB-QJPTWQEYSA-N 402.249 1.452 50 1 HDGF COc1ccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)cc1 195315389 IQXGJRIAFNXLHT-OALUTQOASA-N 413.283 1.494 50 1 HDGF C=C1[C@H](OCC)O[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@H](OC(C)=O)C[C@]12O 2356696480 BICLPYSYJBRDPW-WUICEFIQSA-N 420.886 1.503 50 1 HDGF CC(NNC(=O)c1nnn(-c2nonc2N)c1-c1cccs1)=C1C=CC(=O)C=C1 15880018 DBINRSMLIHFGEU-UHFFFAOYSA-N 410.419 1.165 50 3 HDGF C=C1[C@H](OCC)O[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 2356696479 BICLPYSYJBRDPW-VDNKOWARSA-N 420.886 1.503 50 1 HDGF O=C(CCCc1ccc(N(CCCl)CCCl)cc1)N/N=C/[C@@H](O)[C@H](O)CO 64447980 ZVSVPVXFSHDUCR-XXXRSFMGSA-N 420.337 1.109 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)c1nc2ccccc2[nH]c1=O 618007867 LFKWWCMVEQJZLH-ZDUSSCGKSA-N 410.521 1.138 50 1 HDGF COC(=O)C(=O)[C@H](Cl)[C@@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N21 962662909 JCIZYWHEPOERHX-CWFSZBLJSA-N 404.850 1.898 50 1 HDGF COCC1=CO[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)CCl 2356414297 IYLQGDSHIOLYHP-IASZTOCISA-N 406.859 1.115 50 1 HDGF C=C1C(=O)O[C@@H]2C=C(C)[C@H](Cl)C[C@@H]3O[C@]3(C)C[C@H](OC(=O)[C@](C)(O)[C@H](C)O)[C@H]12 2356683473 WEVOOBRFSCEKNH-UXHBGANVSA-N 414.882 1.633 50 1 HDGF CCCCC[C@@H]1[C@@H]2OC(C)=CC3=C(C=O)C(=O)[C@](C)(O)[C@@H]4[C@H](C(=O)OC)C(=O)[C@@H]1[C@@]324 2356868315 XAHOFHHJQNUHFY-JLJZNBEUSA-N 416.470 1.919 50 1 HDGF COc1cc(/C=C/C(=O)O)cc(S(=O)(=O)NNC(=O)c2cc(C)oc2C)c1OC 3409169 QZFLIGMGYJYQRI-AATRIKPKSA-N 424.431 1.635 50 3 HDGF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(C(=O)NN)cc2[nH]1 587266930 QMNKACORQYMBGN-GLEZIHRCSA-N 415.366 1.517 50 1 HDGF O=C(CCCCCCCCNC(=O)CBr)CC(=O)N[C@H]1CCOC1=O 72180610 WWMAIFWWFPAVPS-AWEZNQCLSA-N 419.316 1.619 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)/C(C)=C/C)C[C@@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@@]21O 14924452 VCAKAFVZYNRGKS-FUHIGDOGSA-N 412.866 1.004 50 1 HDGF O=C(NNc1ccccc1F)c1ccccc1NS(=O)(=O)c1cnc(O)nc1O 1857759921 NBRGRPJXTXRJNU-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF Cc1ncc(C=O)c(CNNC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c1O 169691825 TYPRLSDGZOOYJN-UHFFFAOYSA-N 418.475 1.127 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cccnc1)c1ccc(F)cc1)B(O)O 195469753 HRIOTUPFYAFUCP-MSOLQXFVSA-N 401.247 1.625 50 1 HDGF CC(=O)OCC1=C2[C@H](OC1=O)[C@H]1O[C@@]1(C)CCC=C(C=O)C[C@H]2OC(=O)C(C)C 2356662297 KHZBZZREMZHCQN-HVSHLEFESA-N 406.431 1.806 50 1 HDGF O=C(N/N=C\C=C\c1ccc([N+](=O)[O-])o1)C(=O)N/N=C\C=C\c1ccc([N+](=O)[O-])o1 6018918 PEJCPYNDRBAGFF-BOCWCJRTSA-N 416.306 1.620 50 1 HDGF COc1ccc([C@@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1 103197031 XBNLYUYJVIJYAM-DLBZAZTESA-N 400.306 1.569 50 1 HDGF C=C1[C@H](OCC)O[C@H](OC(=O)CC(C)C)[C@@H]2[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)CCl 2356696477 BICLPYSYJBRDPW-HNKCEKSGSA-N 420.886 1.503 50 1 HDGF C[C@@H](Cl)[C@]1(c2c(N)n(C)c(=O)n(C)c2=O)NCCc2c(Cl)cc(Cl)cc21 963120536 JKFFLMNXBGCRRY-RBHXEPJQSA-N 417.724 1.990 50 1 HDGF Cc1ccc(S(=O)(=O)NNC(=O)c2nnn(Nc3ccc(F)cc3)c2C)cc1 66074584 MZMXSQFROXTCKG-UHFFFAOYSA-N 404.427 1.533 50 1 HDGF Cc1nnc(Sc2ccc(/C=N/NC(=O)c3ccc(C(=O)NO)cc3)o2)n1C 95809305 CMYIUQVVTAQRFU-GIJQJNRQSA-N 400.420 1.751 50 1 HDGF CC1=C2[C@@H](OC(=O)[C@](C)(O)[C@@H](C)Cl)[C@@]3(C)[C@@H](CC[C@H](O)[C@@H]3C)C[C@@]2(O)OC1=O 86010742 IYBZGGXFPLMHRX-AIWUMOKBSA-N 416.898 1.655 50 1 HDGF in-man Nc1nonc1-n1nnc(C(=O)N/N=C\c2ccccn2)c1CNc1ccccc1 15985579 NJSDOQXBHJCBCR-YVNNLAQVSA-N 404.394 1.004 50 1 HDGF CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCc1ccccc1)B(O)O 195194157 ALDKKIACGNGVQW-SFTDATJTSA-N 410.323 1.890 50 1 HDGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cc(F)ccc1O 1857640137 HXHVIDREUQBHRY-FYJGNVAPSA-N 421.450 1.706 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cccnc1)c1ccccc1F)B(O)O 195469848 AVBREPVMCQRXNR-ROUUACIJSA-N 401.247 1.625 50 1 HDGF CN1C[C@@H](O)C2=C/C(=N\NC(N)=O)[C@@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513127 HOWXXVFJHFRJRM-TXARESSYSA-N 408.458 1.424 50 1 HDGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@@H]2C=C(C)CCC=C(C=O)[C@H]1OC(C)=O 2356477124 XMNUDDSNCGBGOZ-HCXYKTFWSA-N 404.415 1.342 50 1 HDGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O 103196954 TVZDRBHKIVGOEI-IAGOWNOFSA-N 416.305 1.275 50 1 HDGF O=C(CN1CCN(C(=O)c2ccc(F)cc2)CC1)N/N=C/c1cc(F)ccc1O 142761062 VMXKKOYZULDSTH-FSJBWODESA-N 402.401 1.579 50 1 HDGF O=C(NO)c1ccc(C(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2O)cc1 95809306 BFOBAHXPOUCUAV-REZTVBANSA-N 423.179 1.946 50 1 HDGF COC(C)(C)[C@@H]1C=C2C(=O)[C@@H]3O[C@@H]3[C@@H]3[C@@H]4OO[C@@H](C=C(C)C)[C@]15C(=O)[C@@H]2[C@@H]([C@H]45)[C@H]3O 2356549340 YXOKLDJVQQTVQC-WISYVWONSA-N 416.470 1.391 50 1 HDGF C[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@](C)(O)CI 13491795 WFLYXBPKBJWWQJ-RITPCOANSA-N 404.030 1.035 50 1 HDGF NS(=O)(=O)c1ccc(C(=O)N/N=C/c2ccc(-n3nnc4ccccc43)cc2)cc1 1857545228 VOJMGYSMLLUBLL-LPYMAVHISA-N 420.454 1.832 50 1 HDGF COC(=O)[C@H](OC(=O)c1ccccc1)[C@@H]1OOC[C@H](O)[C@@H]1OC(=O)c1ccccc1 2356517111 XEIKPWIQHYMQDA-WNRNVDISSA-N 416.382 1.302 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@H]1C[C@@H](O)[C@@H](CCl)O1 26646342 YYHSTHHJNVFONA-WWKRTHIJSA-N 402.636 1.077 50 1 HDGF N#Cc1ccc(/C=N/NC(=O)CSCC(=O)N/N=C/c2ccc(C#N)cc2)cc1 6535178 LWNOKGYIRSPRNO-ASIDMNOUSA-N 404.455 1.764 50 1 HDGF O=C(CC[C@]1(CCO)OOC2(O1)C1CC3CC(C1)CC2C3)NCCN1CCOCC1 200496685 PUHNDWIPKKXOSI-TVVVCHRXSA-N 424.538 1.425 50 1 HDGF C[C@H](Cn1cnc2c(N)ncnc21)OC[P@](=O)(O)OCCSSCCO 1857619062 QTOVLVJWJFSEII-SNVBAGLBSA-N 423.457 1.347 50 1 HDGF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC(=O)[C@]2(O)CCl)[C@]12C[C@H](c1ccoc1)O[C@@H]2O 2356689844 BANUAIXXNPGYQT-ICGHUEFMSA-N 414.882 1.374 50 1 HDGF O=C1NC(=O)[C@@]2(C3CCC3)Cc3ccccc3[C@@H](c3cc(F)c(B(O)O)c(F)c3)N12 962660373 HGXVGIPXEYZBJK-NQIIRXRSSA-N 412.201 1.381 50 1 HDGF Cc1cc2c(cc1O)[C@@](CCl)(c1ccc3c(c1)n(C)c(=O)n3C)N[C@H](C(=O)O)C2 963473111 RCLBESNQWBMQRU-YCRPNKLZSA-N 415.877 1.972 50 1 HDGF OC[C@@H]1CN(C(=S)SSC(=S)N2CCCO[C@H](CO)C2)CCCO1 1772642916 PLXPKYPDDBGORO-RYUDHWBXSA-N 412.624 1.104 50 1 HDGF O=C(C[C@H](NC(=O)c1cnccn1)c1ccccc1)N[C@@H](Cc1ccccc1)B(O)O 195273904 UENMHEUDQRRRLG-ICSRJNTNSA-N 418.262 1.077 50 1 HDGF C=C(CO)C(=O)O[C@H]1[C@H]2C(=C)C(=O)O[C@H]2C=C(C)CCC=C(C=O)[C@H]1OC(C)=O 2356477128 XMNUDDSNCGBGOZ-OKYOBFRVSA-N 404.415 1.342 50 1 HDGF CN(C)CCSSCCCNC(=O)[C@@H](CO)NC(=O)OCc1ccccc1 618008370 FHUMAFRJRJLATC-MRXNPFEDSA-N 415.581 1.723 50 1 HDGF C[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@](C)(O)CI 13491794 WFLYXBPKBJWWQJ-WDSKDSINSA-N 404.030 1.035 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](O)/C(C=O)=C\CC/C(COC(C)=O)=C\[C@H]2OC(=O)C(=C)[C@H]12 13585312 BVXBBBQHAJQZJL-ODASPWKPSA-N 404.415 1.342 50 1 HDGF COc1cc(C(=O)N[C@H](CCC(=O)O)C(=O)NCCCl)cc(OC)c1OC 40918910 HSLSHFAHKZFSOL-LLVKDONJSA-N 402.831 1.031 50 1 HDGF C/C(=N\NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)c1cccc(N)c1O 1857759295 DIOCSAMDTOSBEL-FYJGNVAPSA-N 418.475 1.149 50 1 HDGF COc1cccc([C@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)c1 195468866 BBEODJCLJHFBJM-OALUTQOASA-N 413.283 1.494 50 1 HDGF O=C(NN=C/C=C/c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C\c1ccccc1 254016541 LIXQPTNMBCCLLW-ZBZUTQGUSA-N 406.442 1.339 50 3 HDGF CC(=CCC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O)[C@@H]1C=C[C@](C)(OO)CC1)CO 2356539418 NRSRHPFZQKNPHH-VNMDENKTSA-N 416.511 1.523 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](O)/C(C=O)=C/CC/C(COC(C)=O)=C\[C@H]2OC(=O)C(=C)[C@H]12 169350292 BVXBBBQHAJQZJL-MFWGXZTMSA-N 404.415 1.342 50 1 HDGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1[C@@H]2COC(C=CC=O)=CC2=CC(=O)[C@@]1(C)O 2356462361 OKIVTNBUGXLXFX-QFIXIFRTSA-N 400.383 1.477 50 1 HDGF CCOC(=O)N/N=C1\C[C@H](O)[C@@H](O)[C@@H]2[C@@H]3C(=O)N(C4CCCCC4)C(=O)[C@@H]3CC[C@@H]12 169354726 KDVOFUWWLDSETE-HBGHOYELSA-N 421.494 1.174 50 1 HDGF O=C1OC(=O)c2cc(-c3nc4ccc(C(=O)N5CCN(CCO)CC5)cc4[nH]3)ccc21 586906272 KPKSRUFHQJYPRZ-UHFFFAOYSA-N 420.425 1.291 50 1 HDGF Cc1cn([C@H]2C[C@H](SSc3ccc([N+](=O)[O-])cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 40891804 GNCSKLIHFSFARZ-HZSPNIEDSA-N 411.461 1.842 50 1 HDGF C/C=C(\C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(C)=C\[C@@H]2OC(=O)[C@@](O)(CCl)[C@@H]21 238733466 AOOCHXQRIWVTII-UPQSIXSFSA-N 410.850 1.968 50 1 HDGF CN1C[C@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513114 HOWXXVFJHFRJRM-AVRDEDQJSA-N 408.458 1.424 50 1 HDGF CCCc1c(O)ccc2c1O[C@]1(C=C3C(=C/C1=N\NC(N)=O)[C@@H](O)CN3C)CC2=O 587475214 KNLQFERZXWMHKX-BULOMXHVSA-N 412.446 1.203 50 1 HDGF Nc1ncc(Br)nc1C(=O)NNC(=O)c1ccccc1C(F)(F)F 1857647975 JUDVDLKIMBPKOZ-UHFFFAOYSA-N 404.146 1.915 50 1 HDGF CN(C)CCSSCCCNC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C 618008630 IUHBUKMVFOAECY-LBPRGKRZSA-N 408.590 1.204 50 1 HDGF NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1ccccc1Br 40973754 XQBLSLMDDOHBFU-UHFFFAOYSA-N 409.265 1.848 50 1 HDGF C=C(C)C(=O)O[C@H]1/C(C=O)=C/CC/C(COC(C)=O)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 169359229 WUJZEZUWGBTPIX-MFWGXZTMSA-N 404.415 1.342 50 1 HDGF CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccc(F)c([N+](=O)[O-])c1)B(O)O 1857541877 IZYFKBSMYSIBHP-GOEBONIOSA-N 411.239 1.421 50 1 HDGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1[C@@H]2COC(C=CC=O)=CC2=CC(=O)[C@]1(C)O 2356462362 OKIVTNBUGXLXFX-VMRPVKRXSA-N 400.383 1.477 50 1 HDGF CC(C)n1ccnc1[C@@]1(CCl)c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963221203 NHYDLOKXOFGKGT-CKFHNAJUSA-N 402.886 1.427 50 1 HDGF CC(=O)O[C@@H]1CC=C(C=O)[C@](C)([C@H](OC(=O)C(C)C)C2=C(C)C(=O)O[C@@H]2O)[C@@H]1C 2356508358 GBLJRCNXXBNAET-JEOOQUCRSA-N 408.447 1.849 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@@H](O)/C(C=O)=C\CC/C(COC(C)=O)=C/[C@H]2OC(=O)C(=C)[C@H]12 101407632 BVXBBBQHAJQZJL-AMVJFLEGSA-N 404.415 1.342 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc2c(c1)OCO2 618007706 FOMPUQUMGXZLHC-ZDUSSCGKSA-N 400.522 1.559 50 1 HDGF CCCCn1c(=O)c2cn(S(=O)(=O)CCCCl)nc2n(CCCC)c1=O 13473883 MPHHVOGYUBXZNR-UHFFFAOYSA-N 404.920 1.767 50 1 HDGF CCCCn1c(=O)c2nn(S(=O)(=O)CCCCl)cc2n(CCCC)c1=O 13473878 VFXXNOFHHTVCHR-UHFFFAOYSA-N 404.920 1.767 50 1 HDGF COc1ccc(N2C(=O)[C@H](CC(=O)O)S/C2=N\NC(=O)c2[nH]cnc2C)cc1 64531854 WRPJMGZSYNHSQQ-FRMRLDDKSA-N 403.420 1.351 50 1 HDGF C[S@](=O)CC[C@H](N)CSSC[C@@H](Cc1ccccc1)C(=O)NCC(=O)O 169326931 BYEWHLWQVFDJEE-RIDFSIMASA-N 418.606 1.523 50 1 HDGF COc1ccc([C@H]2[C@H](Cl)C(=O)N2CCN2CCN(C(=O)CCl)CC2)cc1O 103196952 TVZDRBHKIVGOEI-IRXDYDNUSA-N 416.305 1.275 50 1 HDGF CCN(CC)S(=O)(=O)c1cccc(C(=O)NN/C(C)=C2\C=CC(=O)C=C2O)c1 103788049 CWSPDIVXIMWVME-GHRIWEEISA-N 405.476 1.806 50 3 HDGF C=C1CCC=C(C(=O)OC)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@@H]2[C@H]1OO 2356670241 GEAVRACREUWZDP-TXTZMMAHSA-N 422.430 1.631 50 1 HDGF Cc1cc(O)cc(O)c1C(=O)O[C@H]1[C@@H]2COC(/C=C/C=O)=CC2=CC(=O)[C@@]1(C)O 1857761130 OKIVTNBUGXLXFX-XWEVTOJWSA-N 400.383 1.477 50 1 HDGF O=Cc1cc(B(O)O)c(F)c([C@@H]2c3ccccc3C[C@@]3(C4CCC4)C(=O)NC(=O)N23)c1 962635142 INJMKRTYPPWGFN-SIKLNZKXSA-N 422.221 1.054 50 1 HDGF NNC(=O)c1ccc2nc(-c3cc(S(=O)(=O)N4CCC4)ccc3Cl)[nH]c2c1 586956067 RZGRKKKOKYQIQQ-UHFFFAOYSA-N 405.867 1.881 50 1 HDGF O=C(N/N=C1\CCc2cccc(O)c21)c1cccc(S(=O)(=O)N2CCOCC2)c1 1857539057 OTQLYBSWWQKYDQ-HEHNFIMWSA-N 415.471 1.493 50 1 HDGF CC(C)C[C@H](NC(=O)CCn1ccc2ccc(Br)cc2c1=O)B(O)O 169971101 WREIZYPEAUQVDU-HNNXBMFYSA-N 409.089 1.697 50 1 HDGF C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)NCCCSSCCN(C)C 618008647 IXRJBHMMSYWGOO-CQSZACIVSA-N 405.611 1.803 50 1 HDGF C=C(C)C(=O)O[C@@H]1C(C=O)=CCCC(COC(C)=O)=C[C@@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 2356505228 WUJZEZUWGBTPIX-CADBVGFASA-N 404.415 1.342 50 1 HDGF O=NN(CC(=O)N/N=C\C=N\NC(=O)CN(N=O)c1ccccc1)c1ccccc1 53294783 XMILBZHDXMENPC-UHWBUFEVSA-N 410.394 1.566 50 1 HDGF Cc1nn(CCCCl)c(C)c1[C@H]1c2[nH]cnc2C[C@H]2C(=O)N3CCC[C@H]3C(=O)N21 963223350 PYZNJZNLJGCQJQ-MPGHIAIKSA-N 416.913 1.699 50 1 HDGF C=CC[C@]1(COC(C)=O)C[C@H](OC(=O)C(=C)CO)[C@@H]2C(=C)C(=O)O[C@H]2[C@@H]1C(=C)C=O 2356332977 LBTSJHQUUHYYAG-NJCLPOECSA-N 418.442 1.445 50 1 HDGF COc1ccc([C@@H]2[C@@H](Cl)C(=O)N2NC(=O)Cn2nnnc2-c2ccccc2)cc1 1857563673 WKBIUTMXUDXDQX-IAGOWNOFSA-N 412.837 1.571 50 1 HDGF O=C(O)[C@@H]1Cc2ccc(Oc3ccc(O)cc3)cc2[C@@H](c2cc(F)ccc2B(O)O)N1 962927758 PAMRKNLDIDATEE-SFTDATJTSA-N 423.205 1.692 50 1 HDGF O=C(NN=C/C=C\c1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=C/C=C/c1ccccc1 254016534 LIXQPTNMBCCLLW-GCTALIKCSA-N 406.442 1.339 50 3 HDGF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCBr)c1=O 29397525 SFDWIXVJVPNTJQ-XQQFMLRXSA-N 416.276 1.842 50 1 HDGF CN1N=C[C@]2(c3scnc3C[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)[C@@H](Cl)C1=O 963141923 LEDYAMZCNAKDIB-XQJJYNOISA-N 414.871 1.650 50 1 HDGF Cc1onc(-c2nc3cc(C(=O)NN)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587081058 ZZQDQLUCAWWBHA-UHFFFAOYSA-N 416.785 1.936 50 1 HDGF COC(=O)C[C@H](Br)[C@@]1(C(=O)OC)Oc2cc(OC)cc3c2C(=O)[C@H]1C3 587414611 NKRNRNZKPSJEMV-MOCULFSLSA-N 413.220 1.681 50 1 HDGF O=C(O)[C@H]1Cc2ccc(Cl)c(C(F)(F)F)c2[C@@H](c2cccc(B(O)O)c2F)N1 963171667 BPKNGGNVZYZDAQ-IAQYHMDHSA-N 417.551 1.866 50 1 HDGF C/C=C(/C)C(=O)O[C@@H]1C[C@@]2(C)OC(=CC2=O)/C(C)=C\[C@@H]2OC(=O)[C@@](O)(CCl)[C@@H]21 238759964 AOOCHXQRIWVTII-DWJUFABDSA-N 410.850 1.968 50 1 HDGF CC(=O)O[C@H]1CC=C(C=O)[C@](C)([C@H](OC(=O)C(C)C)C2=C(C)C(=O)O[C@@H]2O)[C@H]1C 238734702 GBLJRCNXXBNAET-CCEXQWFXSA-N 408.447 1.849 50 1 HDGF Cc1cc(NS(=O)(=O)c2ccc(C(=O)N/N=C/c3ccc(O)cc3O)cc2)no1 473135603 JVTCASHFNATQTR-VXLYETTFSA-N 416.415 1.959 50 1 HDGF COc1cc(B(O)O)c([C@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OC 962619506 CZPOZBKSAIPYJB-ODXCJYRJSA-N 401.268 1.367 50 1 HDGF C[C@@H]1N[C@H](C(=O)NNC(=O)[C@@H](N)Cc2ccc(O)cc2)Cc2c1[nH]c1ccccc21 72105290 JBAJKNXVCPICQP-KHDYIWLOSA-N 407.474 1.166 50 1 HDGF O=C1[C@@H]2Cc3nc[nH]c3[C@@]3(CCC[C@@H]3CCBr)N2C(=O)[C@@H]2CCCN12 963225464 UVWUNYNFYIKJTI-NLNKHKNDSA-N 407.312 1.948 50 1 HDGF COc1ccc(OC)c2c1C[C@H](C)N[C@@]21C(C=O)=C2C=C(C)OC=C2[C@H](O)[C@@]1(C)O 963612580 SLXBEHPQNASCHE-XGYIVTJPSA-N 413.470 1.872 50 1 HDGF COc1ccc(/C=N/NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)c1 1857646640 GGQNGRYXPCUOIV-DEDYPNTBSA-N 419.459 1.186 50 1 HDGF N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1 28950661 ZPXDQSCPFYGEEG-FBUUVDBFSA-N 423.281 1.896 50 1 HDGF N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCO[P@@](=O)(N(CCCl)CCCl)N1 101448345 ZPXDQSCPFYGEEG-FLDNJWGVSA-N 423.281 1.896 50 1 HDGF C=C[C@]1(C)[C@@H](C(=C)C=O)[C@@H](OC(=O)[C@@](C)(O)CC)[C@@H]2C(=C)C(=O)O[C@H]1[C@H]2OC(C)=O 35086405 UWNPZJZWGPJILE-CVLMSCCUSA-N 420.458 1.666 50 1 HDGF C[C@@H]1C[C@H](O)[C@]2(CO)[C@H](CCC(=O)[C@]2(O)CCl)[C@]12C[C@H](c1ccoc1)O[C@H]2O 2356689845 BANUAIXXNPGYQT-MYFNQBAGSA-N 414.882 1.374 50 1 HDGF O=C1OC(=O)[C@@H]2[C@@H]1C1C(c3ccccc3)=C(c3ccccc3)C2(O)[C@@H]2C(=O)OC(=O)[C@@H]12 105490032 GWQMHYUJTIVKRW-HXAWZTLCSA-N 416.385 1.604 50 1 HDGF NNC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(F)c1)CCNC3 28350850 QFRFYTBWTAHDDH-UHFFFAOYSA-N 405.480 1.314 50 1 HDGF COc1ccc([C@@H](CC(=O)N[C@@H](CC(C)C)B(O)O)NC(=O)c2cccnc2)cc1 195315385 IQXGJRIAFNXLHT-MOPGFXCFSA-N 413.283 1.494 50 1 HDGF O=c1ccn(CO[C@@H](CI)COCc2ccccc2)c(=O)[nH]1 27179006 RGRFNHWHIFWADC-ZDUSSCGKSA-N 416.215 1.531 50 1 HDGF CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(/C=N/NC(N)=O)c(O)c(C(C)(C)C)c1 1857760151 HPENDBRDYDJTNY-XUMUCCENSA-N 417.466 1.883 50 1 HDGF COC1(OC)C(Br)=C[C@](O)(CC#N)[C@@H](OC(C)=O)[C@@H]1Br 2356792081 JHHXWODAWSIAOW-GARJFASQSA-N 413.062 1.608 50 1 HDGF O=c1nc(-n2cncn2)c(/C=C/Br)cn1[C@H]1C[C@H](O)[C@@H](CCl)O1 26646346 YYHSTHHJNVFONA-VFDLHJOKSA-N 402.636 1.077 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1)B(O)O 195273882 DDXBOJCFXBLULG-RDJZCZTQSA-N 418.690 1.534 50 1 HDGF CC1(C)[C@]2(C)CC[C@]1(C(=O)NCCCN1CCOCC1)[C@@H](Br)C2=O 102725467 FIGCLBPFTABCJB-MORSLUCNSA-N 401.345 1.984 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@@H](O)C=C(C)[C@@]21O 2356477393 VCAKAFVZYNRGKS-CEVVZUMYSA-N 412.866 1.004 50 1 HDGF C[C@H](Cn1cc(C#CCNC(=O)Cc2ccc(Cl)cc2Cl)cn1)C(=O)NN 587886019 YXMXZRQKJGIRPM-GFCCVEGCSA-N 408.289 1.526 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)Cc1ccc(OC)cc1OC 618007724 GGAQNAPEALTJPK-HNNXBMFYSA-N 416.565 1.847 50 1 HDGF COc1ccc(/C=N\NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 33928000 PBTWVQRPFFVUNH-NDENLUEZSA-N 418.475 1.424 50 1 HDGF COC(=O)[C@H](CSSCCN(C)C)NC(=O)[C@H](O)c1ccc(OC)cc1 618007789 IFYFSFZCSUKYDW-LSDHHAIUSA-N 402.538 1.329 50 1 HDGF C[C@H]1CC[C@@H]2[C@@H](C)[C@@H](N3CCS(=O)(=O)CC3)O[C@H]3O[C@@]4(C)CC[C@H]1[C@]32OO4 72174724 FDMUNKXWYMSZIR-BCCKGHQJSA-N 401.525 1.925 50 1 HDGF in-man C[C@@H]1COc2c(N3CCN(C)CC3)c(F)cc3c(=O)c(C(=O)N/N=C/O)cn1c23 103290976 XECJTZCQCALEON-LLVKDONJSA-N 403.414 1.077 50 1 HDGF C=C1CCC=C(C(=O)OC)[C@H](O)[C@H](OC(=O)C(C)=CC)[C@@H]2C(=C)C(=O)O[C@H]2[C@H]1OO 2356670239 GEAVRACREUWZDP-NNPSNHGLSA-N 422.430 1.631 50 1 HDGF O=C(NNc1ccc(F)cc1)c1cccc(NS(=O)(=O)c2cnc(O)nc2O)c1 1857630175 PUOCAFSMBLRKQA-UHFFFAOYSA-N 419.394 1.585 50 1 HDGF Cc1nnc(SCC(=O)NNC(=O)c2ccc(Cl)cc2)n1C[C@H]1CCCO1 915455 LIWPBCMTFMUXJG-CQSZACIVSA-N 409.899 1.972 50 3 HDGF NNC(=O)c1[nH]c2ccc(S(N)(=O)=O)cc2c1-c1cccc(Br)c1 40918021 LOUMFRZBAXRSLT-UHFFFAOYSA-N 409.265 1.848 50 1 HDGF CCOC(=O)[C@]1(NC(=O)NNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1(C)C 84653487 MOOSVCGBQAEKET-LJQANCHMSA-N 409.439 1.388 50 1 HDGF NC(=O)CN1C(=O)[C@@H](NC(=O)C2=CC3=C[C@H](Cl)SC3=N2)Cc2ccccc21 53683214 ACSGSLPOHKRZCY-GXTWGEPZSA-N 402.863 1.080 50 1 HDGF in-vivo O=C1C[C@@H](O)C[C@@H](CO[Si](c2ccccc2)(c2ccccc2)c2ccccc2)O1 2356606481 RGQPWBYRWFJZDN-PMACEKPBSA-N 404.538 1.737 50 1 HDGF N=C(N)Nc1cccc(C(=O)NNC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)c1 13862956 RLEVQGAGXMBFLZ-CYBMUJFWSA-N 401.398 1.541 50 1 HDGF C[C@]1(c2ccc(B(O)O)c([N+](=O)[O-])c2)N[C@H](C(=O)C(F)(F)F)Cc2ccccc21 962711265 LVOROUZUGLYPLI-WMLDXEAASA-N 408.141 1.184 50 1 HDGF CN(C)/C=C(/C#N)C(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1 1772590745 UIGGPBHQMVQESQ-SQFISAMPSA-N 403.446 1.953 50 1 HDGF O=C(CN1C[C@H](c2ccccc2)CC1=O)NN/C=C1\C=C(Br)C=CC1=O 13122232 MCCCGOVJEIASGE-YVGNARHYSA-N 416.275 1.925 50 3 HDGF C=C1C(=O)O[C@@H]2C=C(COC(=O)C(C)=CC=O)CCC=C(CO)C[C@@H](OC(C)=O)[C@H]12 2356663197 XUHYPIDKUUNCKX-AQNXPRMDSA-N 418.442 1.733 50 1 HDGF CN1CC[C@@]23c4c5ccc(O)c4O[C@H]2C(=O)C=C[C@@]3(NC(=O)CBr)[C@@H]1C5 36215754 HWJKYMCMEIOBFC-NOENWEJRSA-N 419.275 1.040 50 1 HDGF Cc1cc(N2C[C@H](C(=O)N/N=C/c3ccccc3)CC2=O)cc(C)c1S(N)(=O)=O 1857573243 NEEUKYCSJKNGPX-CNPYVQQSSA-N 414.487 1.454 50 1 HDGF CC1=C2[C@H](OC(=O)[C@](C)(O)[C@H](C)Cl)[C@@]3(C)[C@H](C)[C@@H](O)CC[C@@H]3C[C@]2(O)OC1=O 257450347 IYBZGGXFPLMHRX-IIONRWFYSA-N 416.898 1.655 50 1 HDGF endogenous,in-man COc1cc(C)nc(NC(=O)NS(=O)(=O)Oc2ccccc2OCCCl)n1 1857618389 XEZCIKDZTXAWBH-UHFFFAOYSA-N 416.843 1.857 50 1 HDGF O[C@@H]1CO[C@H](N(O)CCCc2ccc(N(CCCl)CCCl)cc2)[C@H](O)[C@@H]1O 64448707 SMYMEWOBNKYESD-TVFCKZIOSA-N 423.337 1.033 50 1 HDGF CCOC(=O)c1ccc(/N=N/N(C)C(=O)N[C@@H](CCC(=O)OC)C(=O)OC)cc1 95552195 HOBOAOIGBSCGJK-PXKHIBQASA-N 408.411 1.998 50 1 HDGF CN(C)CCSSCCNC(=O)[C@H]1CCN(C(=O)c2ccc3nn[nH]c3c2)C1 618011809 UBZNFDGRFKVVEV-AWEZNQCLSA-N 422.580 1.479 50 1 HDGF O=C(NN=CC=Cc1ccccc1)[C@@H](O)[C@@H](O)C(=O)NN=CC=Cc1ccccc1 1857622570 LIXQPTNMBCCLLW-BGYRXZFFSA-N 406.442 1.339 50 1 HDGF COCCNC(=O)c1cccc(NC(=O)CCc2nc3ccc(C(=O)NN)cc3[nH]2)c1 587229856 CPURATILKAGVJZ-UHFFFAOYSA-N 424.461 1.114 50 1 HDGF Cc1nn([C@@H](C)C(=O)NN)cc1C#CCNC(=O)Cc1ccc(Cl)cc1Cl 587885732 SBROHLGUOQAAKD-LBPRGKRZSA-N 408.289 1.760 50 1 HDGF CN(C)CCSSCCNC(=O)[C@H](CO)NC(=O)OCc1ccccc1 618009047 QPOITANVPKKNSN-HNNXBMFYSA-N 401.554 1.333 50 1 HDGF COc1cc(NC(=S)NNC(=O)c2cc([N+](=O)[O-])cn2C)cc(OC)c1OC 299840554 XZYRQLFTLYICJT-UHFFFAOYSA-N 409.424 1.591 50 1 HDGF Cc1cn([C@@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCBr)c1=O 31904734 VNLZHFGIBSIFIB-TUAOUCFPSA-N 402.249 1.452 50 1 HDGF O=C(C[C@@H](NC(=O)c1cnccn1)c1ccccc1)N[C@@H](Cc1ccccc1)B(O)O 195273896 UENMHEUDQRRRLG-QUCCMNQESA-N 418.262 1.077 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@H](O)C(C=O)=CCCC(COC(C)=O)=C[C@H]2OC(=O)C(=C)[C@@H]12 2356610910 BVXBBBQHAJQZJL-MKXGPGLRSA-N 404.415 1.342 50 1 HDGF CCCc1c(O)ccc2c1O[C@@]1(C=C3C(=CC1=NNC(N)=O)[C@H](O)CN3C)CC2=O 587475222 KNLQFERZXWMHKX-UTKZUKDTSA-N 412.446 1.203 50 1 HDGF C=C1C(=O)O[C@@H]2[C@@H]1[C@H](OC(=O)C(C)=CC)C[C@](O)(CCl)[C@@H]1[C@H](O)[C@@H]3O[C@]3(C)[C@@H]12 2356579399 BIPHVHCLTIDQTE-YKEYSAJTSA-N 412.866 1.100 50 1 HDGF C=C(C)C(=O)O[C@H]1/C(C=O)=C\CC/C(COC(C)=O)=C\[C@H]2OC(=O)C(=C)[C@@H]2[C@@H]1O 101360841 WUJZEZUWGBTPIX-ODASPWKPSA-N 404.415 1.342 50 1 HDGF COC(=O)C(=O)[C@H](Cl)[C@]1(C)c2ccccc2C[C@@]2(C3CCC3)C(=O)NC(=O)N12 962662912 JCIZYWHEPOERHX-RYGJVYDSSA-N 404.850 1.898 50 1 HDGF CN1CCc2c(Br)cccc2[C@@]1(C)c1ccc(B(O)O)cc1[N+](=O)[O-] 963282155 WIZPSTROWDTICG-KRWDZBQOSA-N 405.057 1.789 50 1 HDGF O=C1[C@@H]2Cc3nc[nH]c3[C@]3(CCC[C@H]3CCBr)N2C(=O)[C@@H]2CCCN12 963225461 UVWUNYNFYIKJTI-DGBRYZOVSA-N 407.312 1.948 50 1 HDGF CC1=C(C(=O)NNC(=O)c2ccccc2O)[C@H](c2ccc(N(C)C)cc2)NC(=O)N1 103295031 JZMHUNUZBJYYAF-SFHVURJKSA-N 409.446 1.547 50 1 HDGF COc1ccc(C(=O)N/C(=C/c2cc(OC)c(OC)c(OC)c2)C(=O)NN)cc1 40916503 GTIVLCQLJDTBSX-OQLLNIDSSA-N 401.419 1.482 50 1 HDGF NC(=O)Cc1cc([N+](=O)[O-])ccc1CO[P@](N)(=O)N(CCCl)CCCl 103064283 INRAROFLNJHVRX-VWLOTQADSA-N 413.198 1.986 50 1 HDGF Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCBr)c1=O 6521438 SFDWIXVJVPNTJQ-YNEHKIRRSA-N 416.276 1.842 50 1 HDGF CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NNc1cccc(F)c1)C(C)C 64691725 DTFXFUTUIMILNU-JQFCIGGWSA-N 407.490 1.009 50 1 HDGF COCCN1C[C@@]23C=C[C@@H](O2)[C@@H](C(=O)N/N=C2\C[C@H]4CC[C@]2(C)C4(C)C)[C@@H]3C1=O 1857611424 BQEOIWKFCLIAQJ-JJWAKOGCSA-N 401.507 1.733 50 1 HDGF C[C@H](N)C(=O)NNC(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1 299833153 JPWDBAOBPGOHIV-YJBOKZPZSA-N 409.490 1.445 50 1 HDGF CC1=C(C(=O)NNC(=O)c2ccccc2O)[C@@H](c2ccc(N(C)C)cc2)NC(=O)N1 103295034 JZMHUNUZBJYYAF-GOSISDBHSA-N 409.446 1.547 50 1 HDGF O=C(N/N=C/C=C/c1ccccc1)[C@H](O)[C@@H](O)C(=O)N/N=C/C=C/c1ccccc1 1688747 LIXQPTNMBCCLLW-CUBIQFJTSA-N 406.442 1.339 50 1 HDGF Cc1cn([C@@H]2C[C@@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)n(CCCCCBr)c1=O 29397519 SFDWIXVJVPNTJQ-UPJWGTAASA-N 416.276 1.842 50 1 HDGF CCN(CC)S(=O)(=O)c1ccc2nc(CCNC(=O)CBr)[nH]c2c1 586970512 BZQYGNQHWLYCHG-UHFFFAOYSA-N 417.329 1.647 50 1 HDGF O=C(NNC(=O)[C@@H]1C(=O)NC(=O)N(c2ccccc2)C1=O)Nc1ccc(Cl)cc1 1772595695 NDUXYNAPCXFEEU-ZDUSSCGKSA-N 415.793 1.392 50 1 HDGF O=c1oc2ccccc2c2nn(CN3CCN(S(=O)(=O)CCCl)CC3)cc12 1857552904 QZSUJNOHDKVIQZ-UHFFFAOYSA-N 410.883 1.286 50 1 HDGF C=C1C(=O)O[C@H]2[C@H]1[C@H](OC(=O)/C(C)=C/C)C[C@](O)(CCl)[C@@H]1[C@H](O)C=C(C)[C@]21O 4995799 VCAKAFVZYNRGKS-CZNBXQLSSA-N 412.866 1.004 50 1 HDGF C=CCN1C(=O)CS/C1=N\NC(=O)CSc1nc2ccccc2c(=O)n1CC 1652784 DLXWUDSTKSLEEV-UZYVYHOESA-N 417.516 1.657 50 1 HDGF COc1ccc([C@@H](CC(=O)O)NC(=O)NNC(=O)c2cccc(NC(=N)N)c2)cc1 13862932 VWXQFGQQZYTQPI-OAHLLOKOSA-N 414.422 1.161 50 1 HDGF C/C(=C/CC[C@](C)(O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O)[C@@H]1C=C[C@@](C)(OO)CC1)CO 200178006 NRSRHPFZQKNPHH-YXSIPJKVSA-N 416.511 1.523 50 1 HDGF CC(C)(C)[Si](O[C@@H](C1OCCO1)[C@@H](O)CO)(c1ccccc1)c1ccccc1 208152127 RKNJTMCXRDCRPE-VQTJNVASSA-N 402.563 1.658 50 1 HDGF C=C(C)C(=O)O[C@@H]1[C@H](OC(C)=O)/C(C=O)=C\CC[C@@]2(C)O[C@H]2[C@H]2OC(=O)C(=C)[C@@H]21 238766344 AIMNWAPJFFOMOT-OTMHEMCYSA-N 404.415 1.580 50 1 HDGF CN1C[C@@H](O)C2=CC(=NNC(N)=O)[C@]3(C=C21)CC(=O)c1ccc2c(c1O3)CCCC2 587513116 HOWXXVFJHFRJRM-GCJKJVERSA-N 408.458 1.424 50 1 HDGF N#CC1=C(N)N2CCNC2=C([N+](=O)[O-])[C@]12c1ccccc1-c1nc3ccccc3nc12 1857744284 ZRPZUGGLHWKONF-JOCHJYFZSA-N 409.409 1.955 50 1 HDGF COC1=C/C(=C/NNC(=O)Cc2nnc(NC(=O)c3ccccc3)s2)C=CC1=O 13548959 ZBCPRGBSTJQHNQ-VAWYXSNFSA-N 411.443 1.507 50 3 HDGF COc1ccc(F)c(S(=O)(=O)NNC(=O)c2cc(F)cc(-n3cccn3)c2)c1 1857570659 QSUACKFAWCFPJK-UHFFFAOYSA-N 408.386 1.782 50 1 HDGF CCCc1c(O)ccc2c1O[C@]1(C=C3C(=C/C1=N\NC(N)=O)[C@H](O)CN3C)CC2=O 587475221 KNLQFERZXWMHKX-NUDQSIKTSA-N 412.446 1.203 50 1 HDGF COCCOc1cc2ncnc(Nc3cccc(B(O)O)c3)c2cc1OCCOC 221593923 FOLYTFBHRHGMMG-UHFFFAOYSA-N 413.239 1.104 50 1 HDGF C[C@H](CSSCCN(C)C)C(=O)N1CCC[C@H]1C(=O)NCc1cnccn1 618018176 VENKYKSSJAYAFA-ZBFHGGJFSA-N 411.597 1.663 50 1 HDGF CC1=C(C(=O)NNC(=O)c2ccccc2O)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1 103293769 VDDQRHLUBXHUBL-MRXNPFEDSA-N 411.374 1.390 50 1 HDGF CON(CCCc1ccc(N(CCCl)CCCl)cc1)[C@@H]1OC[C@@H](O)[C@@H]1O 64453761 LGVNWYADRODCOF-FGTMMUONSA-N 407.338 1.845 50 1 HDGF NC(=O)CN(CC(N)=O)CC1CCC2(CC1)OOC1(O2)C2CC3CC(C2)CC1C3 44086653 GIVMYBABDWCSRI-UHFFFAOYSA-N 407.511 1.276 50 1 HDGF Cc1cc(O)cc(O)c1C(=O)O[C@@H]1[C@H]2COC(C=CC=O)=CC2=CC(=O)[C@]1(C)O 2356462359 OKIVTNBUGXLXFX-DLVCFXQMSA-N 400.383 1.477 50 1 HDGF N#CC1=C(N)Oc2c(oc(CO)cc2=O)[C@]12C(=O)Nc1ccc(Br)cc12 96908926 UKVCDZSVPKQHCZ-QGZVFWFLSA-N 416.187 1.219 50 1 HDGF COc1cc(B(O)O)c([C@@H]2c3c(ccc(OC)c3OC)C[C@@H](C)N2C)cc1OC 962619504 CZPOZBKSAIPYJB-MPBGBICISA-N 401.268 1.367 50 1 HDGF COCC1=CO[C@H](OC(=O)CC(C)C)[C@H]2[C@@](O)(CCl)[C@@H](OC(C)=O)C[C@]12O 2356414300 IYLQGDSHIOLYHP-IREHDKGXSA-N 406.859 1.115 50 1 HDGF CS(=O)(=O)SCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NO 2356782471 FIEIPKPRYNAIPC-UHFFFAOYSA-N 411.299 1.336 50 1 HDGF COc1ccc(NC(=O)CC/C(CC(=O)c2ccco2)=N/NC(=O)C(N)=O)cc1 6411296 PJNJBPXCAPECFC-XKZIYDEJSA-N 400.391 1.237 50 1 HDGF CC(C)C[C@H](NC(=O)C[C@@H](NC(=O)c1cnccn1)c1ccc(Cl)cc1)B(O)O 195273872 DDXBOJCFXBLULG-WBVHZDCISA-N 418.690 1.534 50 1 HDGF NCCSSCCNC(=O)C1CCN(C(=O)c2n[nH]c3ccccc23)CC1 618007658 KAOCDQSCVSUXGO-UHFFFAOYSA-N 407.565 1.871 50 1 HDGF COc1cc(/C=C/NNC(=O)CCCCC(=O)NO)c(Br)cc1O 45498478 RPONVRVBJAIRSB-VOTSOKGWSA-N 402.245 1.821 50 1 HDGF