smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features COC(=O)[C@@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(=O)C1CCNCC1 25429144 SKUMCJCLFUIGNU-DGCLKSJQSA-N 404.489 -1.864 0 1 HAAF biogenic O=CNC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27564197 VOIYOBYQJZRYEC-RBUSVLPKSA-N 403.344 -4.635 0 1 HAAF O=C1C=C[C@@H]2N=CC=C3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4N1[C@@H]32 40393392 YSSIADRRIPPTBF-MENZYUHWSA-N 400.387 -1.013 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 257415033 FHLVHZWPBBNFQR-FUXAUUPESA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C/C=C1/[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257469595 KYVUMEGNMQDSHO-ZCWFRXJISA-N 418.395 -1.658 0 1 HAAF endogenous,in-man Nc1n[nH]c(=O)c2c1c(I)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 17196548 SFEJDVWRGQKIIY-AJRXIIKVSA-N 408.152 -1.477 0 1 HAAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](OC(N)=O)C[C@H]3C(N)=O)S[C@H]12 27421918 UPPHAIDOAJVSCO-HVUOKHHXSA-N 400.413 -1.782 0 1 HAAF O=C(c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1c(O)cc(O)cc1O 238756139 CLNBEVGRQDBTGN-LQDZTQBFSA-N 424.358 -1.081 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2CO 2356479184 GTEDLLYKAJRTNK-JISRSRCLSA-N 406.384 -3.178 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356538928 WGYSMZQKECLRAK-SSBYTGLJSA-N 418.395 -3.179 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39830124 OLISTMZJGQUOGS-GMOBBJLQSA-N 401.468 -2.447 0 1 HAAF biogenic CNCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 64559094 RWADDOCFGSZJCV-UOYPZJKHSA-N 424.462 -2.649 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O 26750246 MMWCIQZXVOZEGG-GAYJSANJSA-N 420.093 -3.484 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(C(N)=O)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235766 RXNFWTGMRPXPPS-VEWYWMFCSA-N 424.410 -2.825 0 1 HAAF OC[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356335783 CXWJIAWZHVBJLG-GAXAUFIOSA-N 418.395 -3.311 0 1 HAAF CSCC[C@@H](NC(=O)CC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 15261471 OGZNUDJBIAOLAA-KXUCPTDWSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man O=S(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356307420 WVFKPISWLUJJIJ-RIFLIFRKSA-N 422.361 -5.570 0 1 HAAF CC[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)OC)[C@@H]1CC(=O)OC 2356774604 BLSKAXDYTCOOKT-WQESXLHZSA-N 418.439 -1.120 0 1 HAAF C[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@H](C(=O)O)N(C)C(=O)[C@H](N)Cc1c[nH]cn1 60183933 LMUHIYQHLMCRNZ-WBMYTEFPSA-N 407.431 -1.412 0 1 HAAF in-vitro C/C(=C\CO[P@@](=O)(O)OP(=O)(O)O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 73200176 IQWLQHBLPMHJEB-ZCIPGPJXSA-N 424.232 -2.025 0 1 HAAF NC[C@H]1CC[C@@H](N)[C@H](O[C@@H]2[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](N)C[C@H]2N)O1 255278947 WYIKPUVDRIOSGG-UGTMRNCUSA-N 422.479 -4.594 0 1 HAAF CC(=O)OC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@@H]12 2356444660 CZNFJYHDUOEVJW-RQGXLSBLSA-N 404.368 -1.869 0 1 HAAF Cc1cn(CCOCCOC(=O)N[C@H](CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O 31895172 GHBRVOMRIIEMGZ-LLVKDONJSA-N 415.403 -1.510 0 1 HAAF C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)O)[C@@H](C)O 72105881 NMLYLZZJKUIFML-OKDNFBLISA-N 403.436 -3.202 0 1 HAAF CNC(=O)[C@]12CN(C)C(=O)C(=O)N1[C@@H]1C[C@]3(O[C@H](C)C(C)(C)C3=O)[C@@H](O)[C@]1(O)C2 238740285 JYNXDZWXNZSMMS-JDQIBBGJSA-N 409.439 -2.207 0 1 HAAF C[C@@H]1C[N@]1C[C@H](O)C[C@@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO 1857534080 ZFLQPYGPDPYNQY-KYNCSHIPSA-N 407.504 -1.798 0 1 HAAF CC(=CC=CC[C@H](C)[C@H](O)CC(=O)O)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 2356596443 IAQWGYFBKITHHC-PHAQUBSBSA-N 406.428 -1.670 0 1 HAAF O=c1ccn([C@@H]2[C@H](O)[C@@H](O)[C@@]3(CO[P@](=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1 195123434 BFWUJFNKDUGYMX-FKLNZZKESA-N 414.200 -1.954 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C(=O)O)=CC[C@H]12 238740426 YJKFNTLLJXVFFB-VRZJFIGOSA-N 402.352 -2.137 0 1 HAAF CC(=O)N[C@@H]1[C@@H](n2cc(CCCO)nn2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 40575309 XIDPGFBHPLJFQO-PWRGDLIESA-N 400.388 -2.670 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OCC(=O)N(C)C)O[C@H]1[C@H](O)[C@H](O)CO 299852900 ZCIIVBYDOLZRFD-VTBWTGAESA-N 413.374 -3.433 0 1 HAAF N[C@@H]([C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962892766 GVZIXMKYMYCBPV-NVAFIHLTSA-N 424.318 -2.015 0 1 HAAF Cc1cc2c(c(CO)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)[C@@H]2O 2356435874 QUCQWGWEDCGWFJ-XCWYZVQWSA-N 412.435 -1.288 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2CO 2356479186 GTEDLLYKAJRTNK-LLQGUQLCSA-N 406.384 -3.178 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356832086 JTNFGWPIXZNJQJ-POVHNGHTSA-N 416.380 -5.590 0 1 HAAF CC(C)(C)OC(=O)NCCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 12405552 JLVRFOALYNBQPZ-BQVMBELUSA-N 423.430 -1.331 0 1 HAAF CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@@]23C[C@H]1OC(=O)[C@](C)(O)[C@@]14O 253695083 CXKDMDVEHLPRGY-WODVQRAWSA-N 424.402 -1.225 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(O)nc(O)nc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236043 WOEIASYNNGIPKS-FEKGEJDUSA-N 415.359 -3.722 0 1 HAAF CC(=O)Nc1nn(CCO)c2ncnc3c2c1cn3[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O 27108993 ZBZMUNHBHMBVKA-YNSJJWNHSA-N 406.399 -1.267 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 85982784 DZMYOBBWRZTUTA-XTQBGUGYSA-N 414.407 -2.028 0 1 HAAF in-man C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O 86031739 SGUOENJPMRQEMJ-DGFDZUSISA-N 406.472 -1.589 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)[C@H](O)[C@H](O)[C@H]12 95919464 JDBBFQGXBSMMHP-OTAOHGGXSA-N 422.383 -4.208 0 1 HAAF biogenic,in-vitro CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]1[C@@H]32 238736020 IBIPGYWNOBGEMH-FNQNQIBPSA-N 414.363 -2.296 0 1 HAAF Oc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238770245 NOUKECIOLFROLB-SHWOWZBZSA-N 404.368 -2.966 0 1 HAAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)O 587217259 ATEZUEVBIXVGCW-KOLCDFICSA-N 402.371 -1.157 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](CCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356365475 MSMRYTASZYWIJR-URPYTQEBSA-N 414.451 -1.687 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@H]2C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356375847 IXJKAIYQDPLVQL-AAMFVIJISA-N 404.412 -1.618 0 1 HAAF CC(=CC=CC[C@@H](C)[C@H](O)CC(=O)O)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356731334 JWAGJGCOOSEMAU-DWVHDCPZSA-N 404.412 -1.306 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O 253682050 GFBCCYAUTYOZMC-RDQKPOQOSA-N 404.094 -2.454 0 1 HAAF OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 31169037 ONUWJUACWORIMJ-NWQIESHVSA-N 402.396 -2.534 0 1 HAAF biogenic,in-vitro CSCC[C@H](N)C(=O)NOC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49112974 PBEQEZQSABWOIO-JVEUSOJLSA-N 413.460 -1.844 0 1 HAAF C[C@@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC[S@](C)(=O)=NP(=O)(O)O)C(=O)O 83922469 BLHBHYHQDXRTCR-JSZSIQOKSA-N 402.366 -2.012 0 1 HAAF in-vitro N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@H]1O[C@H](n2cc(C=O)[nH]c2=O)[C@@H](O)[C@@H]1O 238733606 NBXXBNKMLQTMIN-YCFJQAAGSA-N 416.343 -3.630 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO)N1 587824676 CKJASRCTTCTDJF-YMSQKASSSA-N 424.263 -1.040 0 1 HAAF COCC(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@H](O)[C@H]1O 2356290491 UWRPZULVXGRPTQ-OYNZBZHQSA-N 417.488 -2.619 0 1 HAAF CCCC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 2356427380 YDNJAFJOMNMVCI-SQNTVTIRSA-N 424.443 -3.017 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](CO)[C@@H]12 2356566307 YWYMRDWOSVYTFC-ZFOVDDAPSA-N 416.423 -2.552 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356682474 MJAVHXIMPOPFJG-VICCEGCOSA-N 404.368 -2.964 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238737309 PADHSFRQMFRWLS-MHSMMQCRSA-N 400.380 -1.874 0 1 HAAF C[C@@]1(O)[C@@H](O)C[C@]2(O)C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356384132 LHBCCROHKSSFLG-WCXRSUFCSA-N 408.356 -4.009 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2cccs2)C(N)=O)C[C@@H](O)[C@@H]1O 2356824704 GXQMRWWFIXZPOH-WMESBKTJSA-N 410.496 -1.595 0 1 HAAF O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2F)c(=O)[nH]1 35033721 GPPKODXOVXLGIG-PXBUCIJWSA-N 406.152 -1.641 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O 84756995 BGGUSFMGMVDPIN-PHYPRBDBSA-N 404.094 -2.454 0 1 HAAF CO[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C)[C@H]1O[C@@H](SCCO)[C@H](O)[C@@H](O)[C@@H]1O 238740972 RHTQCENRGUIVHV-LRZUFPGFSA-N 408.517 -1.867 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356344703 OQZAGOJJVQJMIE-HXCIHOFDSA-N 414.363 -1.080 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 14443274 DSDFXGQRZAFFQA-AMQYHJOISA-N 416.379 -2.859 0 1 HAAF endogenous,in-man CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@@H]1O 2356288839 LNLUSVBOSBSQIQ-QUEVPRLRSA-N 419.500 -1.373 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](C)C[C@]2(C)O 238743478 LKEDDJNDLLFHTN-FMBBYTRZSA-N 404.412 -1.761 0 1 HAAF NS(=O)(=O)OC1CCN(S(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1 299839593 YWFAXYRITIKYCW-NZFPMDFQSA-N 406.435 -4.199 0 1 HAAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)O2 587406770 FEMWODLGIUAIIS-ZUWCUPBKSA-N 407.312 -1.536 0 1 HAAF CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(=N)nc2O)O[C@@H]1C(N)=O)C(=N)N 2356785346 ABWQJHQBCNRNIY-DJBIQUGXSA-N 421.462 -2.575 0 1 HAAF O=c1[nH]cnc2c1ncn2[C@H]1C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O1 35270728 BKUSIKGSPSFQAC-DSYKOEDSSA-N 412.188 -1.006 0 1 HAAF biogenic OCc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 39011380 LREJRSFSOHVXFP-FQXXIRCGSA-N 418.395 -3.178 0 1 HAAF CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49113587 VZCBWDDKSICCRV-IMTCIKDNSA-N 400.388 -2.901 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 100351991 LABSPYBHMPDTEL-OZOSTFMNSA-N 422.276 -5.280 0 1 HAAF OCc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356404135 DHOHKRJHRNXWGD-QIBDZQDVSA-N 418.395 -3.178 0 1 HAAF OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356451073 SEZVUDWLTCREHG-QYFHYJLKSA-N 404.368 -2.964 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356755997 LCIXUGGPLIEEGU-PONYZATCSA-N 424.402 -1.336 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1NC(=O)c1cc(O)cc(O)c1 27547064 USWKJQTWIWBSFB-BWCYYRKRSA-N 402.367 -1.131 0 1 HAAF Cc1cc2c(c(C)c1CC(O)O)C(=O)[C@@H](C)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95914611 UGOPGIWAZTVIOJ-HIQUGDBISA-N 412.435 -1.153 0 1 HAAF biogenic,in-vitro CN(C)[C@@H]1C(=O)[C@H](C(N)=O)C(=O)[C@@]2(O)C(=O)[C@H]3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12 221051475 CRNIKQQPTHSPBA-QNOADJDZSA-N 414.414 -1.133 0 1 HAAF Cn1c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]3O)c2n(C)c1=O 238762671 GGZXXCLVVREIPK-GXIXWSSHSA-N 422.287 -3.477 0 1 HAAF CC(C)CCO[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257514618 PPIXDGFHKZNFOD-RFYJCYLXSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man O=C(O)CN1CCN2CCOCCOCCN(CC1)CCN(CC(=O)O)CC2 22026459 VVPVLLICKZIOEE-UHFFFAOYSA-N 402.492 -1.576 0 1 HAAF C[C@@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 35456943 MOCRJZJERZYGCF-NXSAQOEJSA-N 406.472 -1.732 0 1 HAAF O[C@H]1O[C@H](Cn2nncc2[C@H]2O[C@H](O)[C@H](O)[C@H]2OCc2ccccc2)[C@H](O)[C@H]1O 1857638790 SBCDATCMZRGWBD-ZRWQNVEXSA-N 409.395 -1.947 0 1 HAAF CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C3C(=O)O[C@@H]4C=C(CO)[C@@H]2[C@H]34)[C@@H](O)[C@H](O)[C@H]1O 2356495237 KYZSIRLGANXBNT-MMRWSBQSSA-N 414.363 -2.296 0 1 HAAF CC(C)(O)c1cn(CC(=O)N[C@@H]2[C@@H](O)C=C(C(=O)O)O[C@H]2[C@H](O)[C@H](O)CO)nn1 64559074 VTGIGZCPPXSYPL-YOLTXAATSA-N 416.387 -3.567 0 1 HAAF CCS(=O)(=O)CC(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(COC(C)=O)CS[C@H]12 147895821 XMKZHERORJJWNS-ZWNOBZJWSA-N 406.438 -1.277 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@](C)(O)CC[C@]12O 2356590538 RWMXKBUPLSNIJL-BZBURSIXSA-N 406.384 -2.892 0 1 HAAF COCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O 3842517 NNONZLUPBQRBKD-FSKYWUMTSA-N 421.200 -1.289 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 38664850 LABSPYBHMPDTEL-ATHKHPMCSA-N 422.276 -5.280 0 1 HAAF in-vitro,metabolite C[C@@H]1C(=O)O[C@@H]2C[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]12O 100771989 LMEHVEUFNRJAAV-QDWSXUBPSA-N 424.402 -1.370 0 1 HAAF endogenous,in-man O=C1CCC=C[C@]1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257401873 CZDNLUMNELLDDD-GLPYDYMUSA-N 424.402 -1.441 0 1 HAAF COc1cc2c3c(c1)O[C@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O 587445863 YNJQYALNIUZCJA-YQZTXLELSA-N 409.435 -1.411 0 1 HAAF N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CNCC2CCCCC2)[C@@H](O)[C@H](O)[C@H]1N 1857535239 WRSRQWXJXDEGQF-ITRADPEYSA-N 418.535 -2.904 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1NC(=O)c1cc(O)cc(O)c1 27547073 USWKJQTWIWBSFB-PCUPFXIVSA-N 402.367 -1.131 0 1 HAAF NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(F)c1 28826322 GKFNQSJQCXICPM-ROHXPCBUSA-N 411.433 -2.441 0 1 HAAF Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O 62178562 QELQPHOLOJTLJX-MACXSXHHSA-N 402.408 -1.298 0 1 HAAF C/C=C1/[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 263637202 KYVUMEGNMQDSHO-AFPDTPABSA-N 418.395 -1.658 0 1 HAAF C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)C=C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356565493 YIAQIGPDWXVEJQ-BUFGUSGMSA-N 406.472 -1.732 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356647313 IBOBEERRSJXQNF-IVVCUQTESA-N 414.360 -5.656 0 1 HAAF C[S@](=O)c1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 13473518 YJIBFSDNXPFNSJ-APIOZJFQSA-N 409.317 -2.126 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CO 38253732 DPORNVNPTRLCKZ-RNLJPYGHSA-N 422.383 -4.064 0 1 HAAF biogenic,in-vitro O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)[nH]1 53683902 XCCTYIAWTASOJW-ZAKLUEHWSA-N 404.161 -2.618 0 1 HAAF in-vivo C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 238771409 KZJGQDHNEMBJJZ-FFDBYEBYSA-N 416.423 -2.145 0 1 HAAF COC(=O)[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356424166 PQZHRNHSIAKVKG-VWWYAJSUSA-N 404.368 -2.057 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356442776 OXNYNKGAOAFFBD-NSSNLSNOSA-N 420.367 -3.408 0 1 HAAF CC(=O)N[C@@H]1[C@@H](n2cc(-c3ccccn3)nn2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 40764436 FJYAWRGEIATSDQ-IHWGESPNSA-N 419.394 -1.533 0 1 HAAF CC(=O)OC[C@@H](CO[P@@](=O)(O)OC1[C@@H](O)[C@H](O)C(O)[C@H](O)[C@H]1O)OC(C)=O 58638607 WCCWBLFRGXINLH-RIBZVHFISA-N 418.288 -3.199 0 1 HAAF in-vitro CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(=O)O)[C@@H](C)O 169328933 SWMIFSOVQLOEHG-VCHBTMOCSA-N 420.419 -3.644 0 1 HAAF COC(=O)c1ccc2c(c1O)C(=O)[C@H]1[C@]3(NC(=O)C(=O)O[C@H]([C@]1(C)O)[C@@]3(C)O)O2 2356523823 GPGWJDITQCQEAW-ZRJZNHTDSA-N 407.331 -1.376 0 1 HAAF COc1ccc(C(=O)N2CCN(C(=O)CN)C[C@@H]2C(=O)N[C@H]2CCCNC2=O)cc1 8299494 QJWTYWCLZLYUCW-JKSUJKDBSA-N 417.466 -1.298 0 1 HAAF biogenic OC[C@H]1O[C@@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 14859213 VLAZYPZGDJXPDY-AHKVKGIUSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man Nc1nc(S(=O)(=O)Cc2ccccc2)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49020907 PNQUOPDJSHJEOS-VSBTWAGUSA-N 421.435 -1.006 0 1 HAAF COC(=O)[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 238757977 PQZHRNHSIAKVKG-JACXBSBZSA-N 404.368 -2.057 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H](O)[C@@H]2CO 255220800 JDBBFQGXBSMMHP-KPJWUTFHSA-N 422.383 -4.208 0 1 HAAF COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378136 XLAAFUIQGACOIR-NIGIGRRYSA-N 412.391 -1.349 0 1 HAAF C=CC=CC(=O)N[C@H](C(=O)N[C@@H]1C[C@H](O)CCNC(=O)C=C[C@H](C)NC1=O)[C@@H](C)O 2356463907 RFMLVNAGBNQIDH-AIANZEFSSA-N 422.482 -1.589 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356599165 PPIXDGFHKZNFOD-FIHCNKCMSA-N 412.432 -3.327 0 1 HAAF CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O 26394763 LHQMUBQLSPLSIO-HQYDULASSA-N 408.360 -4.279 0 1 HAAF C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)O 26469615 FFBXHLNWWVCIAN-MRLBHPIUSA-N 410.471 -1.329 0 1 HAAF OC[C@@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 44418537 CPJPQXHWHOMKBP-HQDWSMQCSA-N 416.376 -6.020 0 1 HAAF N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218211 FWMBQIRLWTUCMD-KOLCDFICSA-N 402.371 -1.157 0 1 HAAF O=C(O)[C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O 2356610056 TZJJTXFPLXKCLO-ZXEKDDIRSA-N 422.387 -5.027 0 1 HAAF O=C(NC(=O)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O)OCc1ccccc1 17198326 PRGIJTPURRNUSX-FOCJUVANSA-N 421.362 -1.785 0 1 HAAF CC(=O)OC[C@H]1O[C@@H](n2c(I)cc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 34886704 JDJADOZGDKEJNV-UUOKUNOPSA-N 412.136 -1.677 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H](O)[C@H]2CO 38898127 GTEDLLYKAJRTNK-KQCYYMTHSA-N 406.384 -3.178 0 1 HAAF OC[C@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O 255210388 FUDXMJHOJWYSEJ-TZDZLDNFSA-N 414.360 -5.656 0 1 HAAF C[C@](O)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 257470748 LCIXUGGPLIEEGU-CAJKADDPSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man COC(=O)[C@H]1C[C@H](OC)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H]1C(=O)OC 1772642007 MUXOGVAKSFELPI-CIIYRDNMSA-N 408.400 -2.441 0 1 HAAF CC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@H](C)O 1911585681 ZJSCNGFKBIDHLQ-MXAVVETBSA-N 401.508 -1.498 0 1 HAAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 14920463 IXJHZBNZTOAWNU-RBFHXTLRSA-N 424.453 -1.004 0 1 HAAF biogenic,in-vitro NCC[C@H](O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2N)[C@H](O)[C@H]1O 49808114 JPABIPTXJZGJRR-QUORSDMHSA-N 424.451 -6.215 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 238761927 ZRGXCWYRIBRSQA-UUOPEYFDSA-N 416.423 -2.491 0 1 HAAF CCCCCC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356410072 AMVRNAAKLTUFDK-FDRQEZPZSA-N 410.416 -2.627 0 1 HAAF CC(=O)OC[C@@]1(O)CC[C@@H]2C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356658263 MEGLDKHMUVYZGX-TUPLBYSNSA-N 404.412 -1.617 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356751891 VXOJXCBBJWLAPR-FZRNNLMJSA-N 416.423 -1.973 0 1 HAAF O=C1N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(OP(=O)(O)O)c21)OCO3 3954776 ZIHFUCYITLSDQS-CFNMYKMJSA-N 405.252 -2.460 0 1 HAAF N[C@H](CCCC(=O)N[C@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@H]21)C(=O)O 14923332 RQPIYCBIFMMJEJ-UKXDHYTESA-N 416.412 -2.627 0 1 HAAF biogenic CC(=O)OC[C@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O 49793777 QYDUPKWHIDQOGZ-HKLHZYFVSA-N 402.374 -2.807 0 1 HAAF O[C@@H]1[C@@H](OC[C@@H]2C[C@H](OCCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)CC[C@@H](O)[C@H]1O 2356356891 NWESKLXRDKJSDE-YOIHCPPUSA-N 412.479 -1.021 0 1 HAAF OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356373674 FRACCEHBKJCTJJ-SDWCJULCSA-N 416.423 -2.491 0 1 HAAF C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[S@](C)(=O)=NP(=O)(O)O)C(=O)O 14653646 BLHBHYHQDXRTCR-NCWHOETASA-N 402.366 -2.012 0 1 HAAF biogenic O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1 35033723 BMJOHSBBMARQHC-XVFCMESISA-N 420.229 -1.249 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C2=C(CO)[C@@H](O)C[C@@H]12 2356450764 IWDXNCIWSRAIAR-DLWYEMRJSA-N 404.368 -3.114 0 1 HAAF C[C@@H]1C(=O)O[C@]2(C(=O)O[C@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CO[C@]32O)[C@@H]1C 2356768591 SWEUUIPGSUQSBW-WBZSHXKBSA-N 420.367 -3.617 0 1 HAAF N=C1N[C@H]2[C@@H](COC(N)=O)N(O)C(=N)N3C[C@@H](OS(=O)(=O)O)C(O)(O)[C@@]23N1 14508345 CETRDCWBMBILAL-NUELXLSOSA-N 411.353 -4.533 0 1 HAAF endogenous,in-man COC(=O)c1nnn(C[C@@]2(C)[C@H](C(=O)O)[C@H]3C(=O)C[C@@H]3S2(=O)=O)c1C(=O)OC 29240643 CJHINZCBCHTSOE-MLPKBAJKSA-N 415.380 -1.303 0 1 HAAF O[C@H]1[C@H](O)CO[C@H](O[C@@H]2CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O 255220779 JCSJTDYCNQHPRJ-QAVIADBYSA-N 414.360 -5.656 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356442777 OXNYNKGAOAFFBD-XQZLDUFGSA-N 420.367 -3.408 0 1 HAAF Nc1nc2c(ncn2COC(COP(=O)(O)O)COP(=O)(O)O)c(=O)[nH]1 27739631 XKEDVXJHPVQCFB-UHFFFAOYSA-N 415.192 -1.737 0 1 HAAF C[C@@H](O)/C=C/[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255260634 QEBWOBFSNAGMNR-ACFVITIISA-N 404.456 -1.716 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 587608308 KWUSOKWHHHTOJV-FLNHCKDUSA-N 422.386 -1.481 0 1 HAAF CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](CCS(C)(=O)=O)C(N)=O)C[C@@H](O)[C@H]1O 2356315440 ZVIDJVABGIZNEE-LPWJVIDDSA-N 420.488 -2.479 0 1 HAAF O=C(O)CC[C@H](NC(=O)C[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@@H]1O)C(=O)O 2356590682 YEJAMBXFPICSSO-MRDGNLJNSA-N 401.328 -2.608 0 1 HAAF C[C@@H](N)C(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H]1O 2356664865 LJCFNEWFKJURHR-DYIXOAOZSA-N 413.376 -5.498 0 1 HAAF CC1=C[C@](O)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@](C)(O)[C@@]1(O)C=C[C@@H](C)O 2356667806 QHHLSVRCVLRKCJ-IILKYVERSA-N 406.428 -2.739 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)NC2CCCCC2)O[C@H]1[C@H](O)[C@H](O)CO 299852585 UZGTXSXHJHINMV-IPPAOBIKSA-N 409.430 -1.616 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356593977 CPJPQXHWHOMKBP-RYXDHSSRSA-N 416.376 -6.020 0 1 HAAF N[C@H](CCC(=O)N[C@H](CNCC(=O)O)CSCCN1C(=O)C=CC1=O)C(=O)O 84403299 TXRKDNOJTOUSNJ-GHMZBOCLSA-N 416.456 -2.004 0 1 HAAF C[C@](O)(CO[C@H]1O[C@@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 95913646 WEDHAYWWGPSQDM-WZZFLKDUSA-N 418.395 -2.523 0 1 HAAF biogenic,in-vitro CCCCCC(=O)O[C@H]1[C@H](O)[C@@H](OC[C@@H](O)[C@@H](O)CO)O[C@H](COC(C)=O)[C@@H]1O 2356344512 BGLMHEUNVVQFLX-LGCXJSTCSA-N 424.443 -1.781 0 1 HAAF CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N2CSC=C2C(N)=O)NC1=O 26254765 OCUYXPFTKGTBKZ-VHSXEESVSA-N 421.439 -1.763 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@H]2CCN[C@@H](C(=O)O)C2)[C@@H](O)[C@H]1O 62178668 PPAKVYRRHNXOLG-IBCGMDAMSA-N 410.456 -1.034 0 1 HAAF COc1ccc(Cn2c(=O)n([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1 27106468 MVJCRZFPDBQJCZ-VSBTWAGUSA-N 419.394 -1.863 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 100352002 LABSPYBHMPDTEL-PQSNUYQTSA-N 422.276 -5.280 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@H](O[C@H]3CO[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)[C@@H](O)[C@@H]1O 255210387 FUDXMJHOJWYSEJ-MEKIULGCSA-N 414.360 -5.656 0 1 HAAF COc1ccc(C=CC(=O)OC[C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356690007 IPLHUSAZFXBRMO-NHUKNTKWSA-N 414.407 -1.571 0 1 HAAF O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1F 169342659 DQKWTOBKSULEKU-MVKKHVDWSA-N 422.084 -2.506 0 1 HAAF OCCNc1nc(N2CCOCC2)c2nc(NCCO)nc(N3CCOCC3)c2n1 28710616 LOLWOFFZNLGXFZ-UHFFFAOYSA-N 420.474 -1.099 0 1 HAAF O=C1CC[C@@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)O1 95626091 ATYNVCXMADLPJQ-WPCGXMJKSA-N 400.336 -1.383 0 1 HAAF in-man CO[C@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn([C@@H](CCCCN)C(=O)O)nn2)[C@H]1O 474609724 TZGUDTMWQZNIST-GNIPQWQFSA-N 404.420 -1.997 0 1 HAAF CC(C)[C@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356390941 GVJUTBOZZBTBIG-UPJWGTAASA-N 401.512 -1.584 0 1 HAAF Nc1ccn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)nc3)[C@@H](O)[C@H]2O)c(=O)n1 61922342 LEQAHASEUSDIMI-DTZQCDIJSA-N 419.442 -2.139 0 3 HAAF C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O 100782596 SGUOENJPMRQEMJ-LTQLBBSOSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)O 587221916 RQTYFMPNUFXNNJ-CBAPKCEASA-N 413.412 -1.486 0 1 HAAF Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1 2356320136 IPCDNKHEPUKCNK-GXTWGEPZSA-N 411.484 -1.494 0 1 HAAF CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 66259885 XPAUCTZKSHWPRS-VBTPRWGQSA-N 418.417 -4.691 0 1 HAAF N#Cc1ccc(C(=O)N2CCN(C(=O)CN)[C@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 8299547 VTGLMGNFIXNKCN-HOTGVXAUSA-N 412.450 -1.435 0 1 HAAF biogenic CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)O[C@@H](CO)[C@@H](O)[C@H]1O 15205790 CDOJPCSDOXYJJF-WSUYNWJYSA-N 424.403 -5.110 0 1 HAAF C[C@@H](N[C@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 27519097 UILSQVXVCCBDQF-XZUYRWCXSA-N 414.415 -1.248 0 1 HAAF CN(C)[C@@H]1C(=O)[C@@H](C(N)=O)C(=O)[C@@]2(O)C(=O)[C@H]3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12 199379264 CRNIKQQPTHSPBA-IEPLVVIMSA-N 414.414 -1.133 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C1=C[C@H](O)[C@]2(C)O 238761003 KSQVTHWVSWYGNQ-PZWNGRGCSA-N 404.368 -3.116 0 1 HAAF O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P@](=O)(O)OC[C@H](O)CO)[C@H](O)[C@H]1O 238762834 MRHAWIJFXZJZEV-PEDBETPVSA-N 414.193 -4.223 0 1 HAAF O=P(O)(O)CN(CC(O)O)C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O 53683730 ATILYNKCRYHYEP-YGBUUZGLSA-N 415.225 -4.713 0 1 HAAF in-vivo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c2c(ccc3ccc(=O)oc23)O1 2356740561 SNDKCNISROFTJM-KICZINQASA-N 424.402 -1.336 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O 40737194 GFBCCYAUTYOZMC-SXUWKVJYSA-N 404.094 -2.454 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)O[C@@H]2CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 85735981 FHLVHZWPBBNFQR-DXRRQPCUSA-N 414.360 -5.656 0 1 HAAF in-man CCCC(=O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 584904852 ABZAHDFZCAECDK-IIICIJGYSA-N 412.388 -4.046 0 1 HAAF in-vitro COc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c2oc(=O)ccc2c1O 2356468625 KDWWYRPEBULRGU-KOJGWPTASA-N 400.336 -1.306 0 1 HAAF N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)c(O)n1 2356745904 DHNKPBBSFXICPK-DHJLESSHSA-N 405.360 -4.496 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O 2356819856 FFVMFYBQZCFBPR-NALUXUASSA-N 416.380 -5.590 0 1 HAAF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(CN3C[C@H](OC(N)=O)C[C@@H]3C(N)=O)S[C@H]12 27421914 UPPHAIDOAJVSCO-PQYATCAJSA-N 400.413 -1.782 0 1 HAAF CC(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCC(N)=O 39011492 TWDCNHHHUVVSHN-GJZGRUSLSA-N 421.454 -2.729 0 1 HAAF CSCC[C@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O 39805202 ZXGLLNZQSBLQLT-WOPDTQHZSA-N 405.521 -1.485 0 1 HAAF biogenic CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 66078220 XMEAOSKAEHMIKO-ZPWHOVTBSA-N 404.431 -1.648 0 1 HAAF NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)O 238780662 POCPKVLNHOLZGM-KKUMJFAQSA-N 402.540 -1.245 0 1 HAAF CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O[C@@H]2CO)c1O 2356529322 BOPNBEMHPYANDR-VBWKZDJMSA-N 402.352 -1.738 0 1 HAAF C[C@@H]1[C@H](O)C[C@H](O)[C@@](C)(CO)[C@@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356654796 KRMSEWONKHJOIF-DECNHLEJSA-N 406.472 -1.876 0 1 HAAF CC(=O)OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356662317 KYTISVZGNSQNDO-ANGKXVPXSA-N 404.368 -3.116 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O 254103539 SQOJOAFXDQDRGF-YTGFOVQESA-N 424.402 -1.370 0 3 HAAF CCNC(=O)c1cnn(-c2nc(NC)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 13582892 RCTSETQTWYCFHZ-UBEDBUPSSA-N 418.414 -1.585 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 38664852 LABSPYBHMPDTEL-LMOQYUSOSA-N 422.276 -5.280 0 1 HAAF in-vitro,metabolite COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@]1(O)C[C@H](O)[C@]2(C)O 238773254 VFYACENSDOLJGQ-ROIMYLBWSA-N 422.383 -3.921 0 1 HAAF CC=C1CN(C(=O)[C@H](N)[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)[C@H](O)[C@H]2O)[C@H]1C(=O)O 2356341664 UIKYJKLUMGIAGG-WVAGZLMXSA-N 410.383 -2.554 0 1 HAAF C[C@@H](C=C[C@@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356454149 AQDQRSAVDNFBEA-VPNUCWOISA-N 402.440 -1.363 0 1 HAAF CC=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OC 2356599163 PNLZHIXZJTYUDR-WPAXHRHISA-N 404.368 -1.747 0 1 HAAF NC(=O)[C@H](Cc1cccs1)NC(=O)C1=C[C@H](NC(=O)[C@@H]2CCCN2)[C@H](O)[C@H](O)C1 35189629 KBOLWGWIVBOMOK-GVRJEKJASA-N 422.507 -1.451 0 1 HAAF biogenic COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3nccn3C)O[C@H]2[C@H]1O 2356350202 WXZICQSFCXLXOK-ZWNONLRRSA-N 411.459 -1.342 0 1 HAAF COc1cc(C=CCO)ccc1O[C@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356384329 PGJYVMDPNVGNPV-YSVXCWOHSA-N 416.423 -1.743 0 1 HAAF CC(=O)C[C@@]1(O)C[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356474948 JXRURJXEYMRHCO-KYDNIXEESA-N 406.384 -3.505 0 1 HAAF CO[C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)CN(S(=O)(=O)O)C1=O 13368580 QYKSBKSLXVIAQF-SWLSCSKDSA-N 401.397 -1.457 0 1 HAAF biogenic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biogenic COCCO[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 58638478 LISGIEGLNMXMPT-QYVSTXNMSA-N 405.304 -1.192 0 1 HAAF in-vitro C[C@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O 95098819 LMEHVEUFNRJAAV-YWXVRNIJSA-N 424.402 -1.370 0 1 HAAF biogenic,in-vitro O=P(O)(O)OC[C@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 225996862 LABSPYBHMPDTEL-ZFDCCPEWSA-N 422.276 -5.280 0 1 HAAF CS(=O)(=O)CC[C@H](N)C(=O)N[C@H](CO)[C@H](O)c1ccc(S(C)(=O)=O)cc1 64448419 OICOUEBHGDVDGQ-BFHYXJOUSA-N 408.498 -1.637 0 1 HAAF N=c1nc(O)c2cc(CC(=O)NCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2[nH]1 1857636029 IPVCAFLQSKTPOY-VIFPVBQESA-N 408.371 -1.441 0 1 HAAF N[C@@H](CSC(=O)Nc1ccccc1)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356538478 FRNMQWSWCDBITJ-VPLWTHEFSA-N 402.425 -1.378 0 1 HAAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@H](O)[C@H]2N2CCN(C3=CC=C[CH]N3)CC2)CC1 2356834955 WLFAKYZZAYIJGB-YHELAOLJSA-N 406.551 -1.060 0 1 HAAF CC(C)C[C@@H](NC(=O)[C@@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 14417869 DCPWYLSPIAHJFU-XSSYPUMDSA-N 423.466 -1.071 0 1 HAAF COCC(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O 28763729 NNONZLUPBQRBKD-HUNNIAPZSA-N 421.200 -1.289 0 1 HAAF COc1cc([C@H](O)[C@@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356552043 AWSHGBLBAKCDSY-GJUIYEFQSA-N 406.384 -2.380 0 1 HAAF Cc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O 6521433 YKZYQSWMHIEZQG-GFOCRRMGSA-N 406.391 -1.327 0 1 HAAF C[C@@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@H](O)[C@H](O)[C@@H]1O 2356641089 CXUKHOAIYNXPCX-WTKDKKMJSA-N 404.412 -1.394 0 1 HAAF CC[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)O)[C@@H]1CC(=O)OC 2356776722 JMQHOGABGMTPGK-ADHNDSJRSA-N 404.412 -1.208 0 1 HAAF C[C@H]1C(=O)O[C@H]2[C@H]1[C@]13O[C@H]4OC(=O)[C@@H](O)[C@@]45[C@@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]53[C@H]2O 104351669 KDKROYXEHCYLJQ-SXJNZTHISA-N 424.402 -1.514 0 1 HAAF in-man Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)O2 587406768 FEMWODLGIUAIIS-PEBLQZBPSA-N 407.312 -1.536 0 1 HAAF NCC(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1O 2356343315 LPXHMYZVWBYXCR-REFFQAGNSA-N 404.276 -2.353 0 1 HAAF C[C@@H]1O[C@@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356450255 MZHBYHJOWQQUIV-BVROXIQTSA-N 416.423 -2.145 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@]2(O)CO 2356530419 DPORNVNPTRLCKZ-OKZISKQPSA-N 422.383 -4.064 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2CCC(=O)[C@@]12C(=O)O 2356616449 XJRFLCMOTHIFMB-PZUHLINASA-N 418.351 -2.734 0 1 HAAF CSCC[C@H](NC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C(=O)O 85808409 OGZNUDJBIAOLAA-AEJSXWLSSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man O=Cc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356520198 DSDFXGQRZAFFQA-SSBYTGLJSA-N 416.379 -2.859 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@]12C 2356668247 IZFHVJKSJGLTCX-IULSIUCASA-N 418.395 -1.826 0 1 HAAF NC(=O)/C=C(/NC(=O)CNC(=O)[C@@H](O)CO)C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O 13368881 CFFFTCICFURLIB-UJBUBEMVSA-N 423.360 -5.929 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@H]1O 13409232 OMFHKRCSRGUKRK-MLNWLQDQSA-N 406.365 -1.424 0 1 HAAF in-man CCC(=O)N[C@@H]1[C@@H](O)C[C@](OCc2ccccc2)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 16051842 XDURJXFZCXMSHL-YZKZVDITSA-N 413.423 -1.257 0 1 HAAF in-vitro O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@H](O)[C@@H]2O1)N1CCS(=O)(=O)CC1 2356288501 FLQFYDBEMOVCBE-ONMISFSYSA-N 418.512 -1.312 0 1 HAAF NC(=O)CNC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](NC(=O)Nc2ccc(F)cc2F)C1 25428328 ACNVPPJAAKGQSM-XALPAYFRSA-N 402.354 -1.697 0 1 HAAF biogenic C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](C(=O)c3ccco3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 200656042 KAXDLRWJSRWBER-IETLUCLUSA-N 404.368 -2.844 0 1 HAAF Cc1ccc2nc(CN(C)C(=O)[C@H]3O[C@@H](n4cnc(C(N)=O)n4)[C@H](O)[C@@H]3O)[nH]c2c1 199715261 XNMHXLHLFYNBQF-MOROJQBDSA-N 415.410 -1.160 0 3 HAAF O[C@H]1CC[C@@H](OC[C@H]2C[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 70455501 NWESKLXRDKJSDE-BSGBUWBCSA-N 412.479 -1.021 0 1 HAAF biogenic,in-vitro OC[C@H]1O[C@H](O[C@@H]2[C@@H](OCc3ccccc3)OC[C@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 238778803 QTQBCCQSMXVWNI-PIFBWEMFSA-N 402.396 -2.534 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](OC)[C@H]12 2356384762 XJZRHAMUBWIJEV-QVRRNWQZSA-N 418.395 -2.604 0 1 HAAF COC(=O)c1nnn(C[C@@]2(C)[C@H](C(=O)O)[C@@H]3C(=O)C[C@H]3S2(=O)=O)c1C(=O)OC 29240635 CJHINZCBCHTSOE-KQFPEHSPSA-N 415.380 -1.303 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 256111346 PADHSFRQMFRWLS-FFKDLCELSA-N 400.380 -1.874 0 1 HAAF CC(=O)C[C@@]1(O)C[C@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356474947 JXRURJXEYMRHCO-FPECAULNSA-N 406.384 -3.505 0 1 HAAF Nc1ccn([C@@H]2O[C@H](CNC(=O)[C@@H](Cc3cccnc3)NC=O)[C@@H](O)[C@H]2O)c(=O)n1 61922341 QPXJNXUAZUUTBC-TYRDWNCCSA-N 418.410 -2.687 0 3 HAAF Nc1nc(=O)n([C@H]2C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O2)cc1CO 34965722 RQKDPSTWKKMBPM-GJMOJQLCSA-N 417.204 -1.808 0 1 HAAF in-vitro CC(=O)OCC1=C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 238750324 KYTISVZGNSQNDO-HPNPIHRUSA-N 404.368 -3.116 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356472414 WQQSIXKPRAUZJL-KUIMHYNPSA-N 422.276 -5.279 0 1 HAAF COc1cc2c(cc1CNC[C@H]1O[C@@H](n3cnc(C(N)=O)n3)[C@H](O)[C@@H]1O)OCO2 61931283 UDUGBUUYENUTDK-VMUDFCTBSA-N 407.383 -1.477 0 3 HAAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O 39817441 YOTNPRLPIPHQSB-XUXIUFHCSA-N 415.539 -1.194 0 1 HAAF biogenic Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@H]2O)c1 95914037 XEGUBLZOESPNQE-ZFASMULZSA-N 418.395 -2.656 0 1 HAAF biogenic,in-vitro C[C@H]1C(=O)O[C@H]2[C@@H]1[C@]13O[C@H]4OC(=O)[C@@H](O)[C@@]45[C@@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]53[C@H]2O 104351659 KDKROYXEHCYLJQ-DUMGFGHVSA-N 424.402 -1.514 0 1 HAAF in-man O=C1OC[C@@]2(O)CO[C@@H](O[C@H]3[C@@H](OC[C@@H](O)[C@@H]3O)Oc3ccc(O)c1c3)[C@@H]2O 147838846 KZFNTLYLMIGDHI-UXJHBWSYSA-N 400.336 -2.147 0 1 HAAF C[C@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587831059 VOKDGFRITJDRMO-GJLQNKDZSA-N 424.263 -1.254 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C1=C[C@H](O)[C@]2(C)O 2356473604 KSQVTHWVSWYGNQ-GTNCBYJOSA-N 404.368 -3.116 0 1 HAAF C[C@H](O)C=C[C@]1(O)[C@@]2(C)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]1(C)C(=O)O2 2356532304 IYZKVNWVTDUROQ-PGNZXLCESA-N 418.439 -2.045 0 1 HAAF COc1ccc(Cn2c(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1 4770531 MVJCRZFPDBQJCZ-XNIJJKJLSA-N 419.394 -1.863 0 1 HAAF COC(=O)[C@@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)CCN1C(=O)C1CCNCC1 5398643 SKUMCJCLFUIGNU-YPMHNXCESA-N 404.489 -1.864 0 1 HAAF biogenic Nc1ncnc2c1c(-c1cnn[nH]1)nn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O 98208569 WVKQOUHVRYIFOL-JJNLEZRASA-N 414.275 -2.078 0 1 HAAF in-vitro CC(=O)CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356344968 HFJWZOCWIUZTNY-KYICUJPISA-N 408.444 -1.558 0 1 HAAF CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 2356429828 JDYPLWLMGOKQLK-KYQHVBQWSA-N 418.395 -1.668 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356437203 KPUSIQDGYABESP-ZIYYUISYSA-N 420.411 -2.503 0 1 HAAF C[C@H]1C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC(C)(C)[C@]1(O)C=C[C@H](O)CO 2356651185 FCSXIFYRVMQLAX-BUFGUSGMSA-N 406.472 -1.732 0 1 HAAF O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO[C@]2(C(=O)O)C=CC[C@@H]([C@H](O)CO)O2)O1 64634113 BJZTXGRNTZNXRB-KVJNCLLFSA-N 424.355 -3.873 0 1 HAAF in-vitro CC(C)[C@@]1(O)[C@@H](O)[C@@H]2[C@]3(O)[C@@]1(C)[C@]1(O)C[C@@]2(CO)[C@@]2(O)CC[C@H](C)[C@@H](O)[C@]32O1 95918712 NJYHRMCKTLWXTE-XEXXQCNJSA-N 400.468 -1.523 0 1 HAAF biogenic,in-vitro OCCCCCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 101409744 JZEYDOMKWQQKCY-OXHPVDPFSA-N 416.519 -1.333 0 1 HAAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 238762243 UOVCYPNTMQKFJE-WSRGYXCDSA-N 418.395 -2.657 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@@]12O 2356611435 WUZGENDUAYSYJW-YRFOXOHVSA-N 404.368 -3.116 0 1 HAAF C/C=C1\[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O 14617956 XSCVKBFEPYGZSL-QCWOULJJSA-N 404.368 -1.747 0 1 HAAF endogenous,in-man COc1nccc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c12 587235042 CWGRJCHASLDPRY-OSGUACHASA-N 412.399 -2.520 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(Cl)ncc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235201 GTCMTAMKABCVOV-YORZOEANSA-N 416.818 -1.875 0 1 HAAF O=c1nc(O)ccn1[C@@]12C[C@H]1[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O 1857570179 KWOZLGGORHMCCA-HIBIETOASA-N 412.228 -1.647 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@]1(O)CC[C@@]2(C)O 2356590540 RWMXKBUPLSNIJL-TXYYPRGISA-N 406.384 -2.892 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O 13786311 GGBYVYDNNBAHOS-YGSHXTJESA-N 403.395 -1.097 0 1 HAAF Cc1cc(=O)n([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 40766689 AZLXOEYOOFJHLI-ZOQUXTDFSA-N 418.188 -2.309 0 1 HAAF CC(C)CNC(=O)c1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O 98209487 MVIGTWKPLCSGIV-HBNTYKKESA-N 407.316 -1.320 0 1 HAAF in-vitro OCCCc1ccc(O[C@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)c1 2356449417 LOHOHFHINWYOTL-JITAAIDCSA-N 418.439 -2.340 0 1 HAAF C[C@H](C=C[C@@H]1C(C)(C)C[C@H](O)[C@H](O)[C@@]1(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356653184 FKLUOSPYDPNATQ-RHZRTVKISA-N 406.472 -1.734 0 1 HAAF O=C(O)COCC(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@@H]2C1 2356809021 AMRDVQXDLSPJTO-KBXIAJHMSA-N 409.439 -1.027 0 1 HAAF C[C@@H](CO)[C@]1(O)C[C@]2(O)[C@]3(O)[C@@]45O[C@](O)(C[C@@]2(C)[C@]4(O)CC[C@@H](C)[C@H]5O)[C@@]31C 104371304 LIGPZBKBGCJTGC-GUWQZFKVSA-N 400.468 -1.379 0 1 HAAF in-man O[C@H]1OC[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O[C@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 255260870 QIBJLUWGMJRJEQ-LZODTHCESA-N 414.360 -5.656 0 1 HAAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@](CN2CCOCC2)([C@@H](O)[C@H](O)[C@H](O)CO)N1 962902043 VCYQVMXSYAQXFH-WAXPSYRMSA-N 414.430 -1.973 0 1 HAAF NCC(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 2356343314 LPXHMYZVWBYXCR-MSMCNMIDSA-N 404.276 -2.353 0 1 HAAF CC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 2356647599 QVYMNCVNZVHQEC-MYDRGSNHSA-N 412.388 -4.190 0 1 HAAF N[C@@H](CCC(=O)N[C@@H](CNCC(=O)O)CSCCN1C(=O)C=CC1=O)C(=O)O 84403298 TXRKDNOJTOUSNJ-QWRGUYRKSA-N 416.456 -2.004 0 1 HAAF COc1cc([C@@H](O)[C@@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 238784101 AAZJIDQNEUWCEO-KGDXYGCASA-N 406.384 -2.380 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)c(F)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236094 YZNOZYZNDJJSBJ-AIVZJVSBSA-N 413.402 -1.476 0 1 HAAF OCc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1 238760037 DHOHKRJHRNXWGD-FQXXIRCGSA-N 418.395 -3.178 0 1 HAAF COc1cc(C=CCO)ccc1O[C@@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356384324 PGJYVMDPNVGNPV-IDYJLDPRSA-N 416.423 -1.743 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@]12O 2356432662 IKSXXSBNUQXFLT-LMGNTSARSA-N 406.384 -3.036 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356593974 CPJPQXHWHOMKBP-BOTMSJLISA-N 416.376 -6.020 0 1 HAAF CO[C@H]1[C@H](O)[C@@H](O[C@@H](C)[C@@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)O[C@H](CO)[C@@H]1O 2356716018 ZQLTUOZZFIPZMO-QGDRISDUSA-N 413.387 -2.570 0 1 HAAF CCCC(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356720210 TYUFEZZYZPMRID-OWPWUNQPSA-N 412.388 -4.046 0 1 HAAF Cc1cn([C@@H]2C[C@@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 31895654 MFFOUDZYFVDVOU-BZPMIXESSA-N 417.382 -2.144 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@@H]3[C@@H]4O[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O4)[C@H]1[C@@H]32 255219855 IMYNUOFRENGSJB-MVRWOANUSA-N 414.363 -2.200 0 1 HAAF C[C@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O 100229967 LMEHVEUFNRJAAV-ZTUIYATGSA-N 424.402 -1.370 0 1 HAAF biogenic,in-vitro CO[C@H]1C=C(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]21 238758989 UGWIKFJKKFUZBT-FCVLBCLDSA-N 404.368 -2.693 0 1 HAAF O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](F)[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O 299811540 DQKWTOBKSULEKU-ACEPYNLWSA-N 422.084 -2.506 0 1 HAAF C/C=C\OC[C@H](CO[P@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O 584879825 TVXMOECXGPGROY-KEKHNZJISA-N 416.316 -2.211 0 1 HAAF in-vitro C[C@H](C=C[C@@H]1C(C)(C)C[C@@H](O)[C@H](O)[C@@]1(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356653183 FKLUOSPYDPNATQ-CKMXEZOISA-N 406.472 -1.734 0 1 HAAF O=C(N[C@@H]1CCCNC1=O)C1=C[C@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@@H](O)C1 36354265 OFAVHYGLWHYKLT-OWTLIXCDSA-N 415.493 -1.158 0 1 HAAF biogenic CC(=O)NC(C)(C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(N)=O)CCCC1 149749851 IMTDBUGBYUYOJD-LBPRGKRZSA-N 411.507 -1.437 0 1 HAAF CN(C)[C@@H]1C(=O)[C@H](C(N)=O)C(=O)[C@@]2(O)C(=O)[C@@H]3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12 221051524 CRNIKQQPTHSPBA-BFJCXSFQSA-N 414.414 -1.133 0 1 HAAF OC[C@@H]1O[C@H](N2CCN([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)CC2)[C@H](O)[C@@H](O)[C@@H]1O 254110878 AAHLQODCOIMLFS-LPNSODRFSA-N 410.420 -5.796 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 257412455 FASIISXZAJLLSP-WJPHLOCDSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(CO)[C@H](C1)C(=O)CC[C@H]2O 2356775988 SGQGOVXPGVVLHY-FDANMMEWSA-N 418.483 -1.300 0 1 HAAF C[C@](O[C@@H]1CC(C(=O)O)=C[C@@H](OP(=O)(O)O)[C@H]1O)(OP(=O)(O)O)C(=O)O 16052263 QUQKBSPZUVNKIF-JQCUSGDOSA-N 422.172 -1.465 0 1 HAAF in-vivo COC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H]1CN(S(C)(=O)=O)CCN1C(C)=O 25421199 VLZULVQHHCWPOT-GJZGRUSLSA-N 412.468 -1.226 0 1 HAAF biogenic O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O[P@](=O)(O)OC[C@H](O)CO)[C@@H](O)[C@H]1O 2356384251 MRHAWIJFXZJZEV-UHKUHWAFSA-N 414.193 -4.223 0 1 HAAF O=Cc1cn([C@@H]2O[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@H]2O)c(O)n1 2356593085 WTBZLHVWKJDNBL-ORKLKTCESA-N 401.328 -2.155 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1C(=O)OC 2356684518 RJEDKBHZKYALIU-JIHKCTQESA-N 420.367 -3.076 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)O)cc1 29478016 NQLHYEYQMGRRTI-ZDUSSCGKSA-N 409.424 -1.011 0 1 HAAF CC(=O)c1sc2c(c1C)C(=O)N(N)[C@H](S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N2 49112425 HUOGBAPZHNHBTD-FRQPHHTCSA-N 419.481 -1.183 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N3CCC[C@@H]3C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12 13727825 SMZXYXKZTNLAKY-IFUGULHKSA-N 416.408 -1.509 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@@H](CO)N(C)C(=O)C4=C[C@@]13O)O[C@H](C)C(C)(C)C2=O 238735635 YSKRVHAAQGSYFK-GFGUEBOYSA-N 422.434 -1.267 0 1 HAAF Cc1cn([C@@H]2O[C@@]3(COP(=O)(O)O)CS(=O)(=O)N[C@@H]2[C@@H]3O)c(=O)nc1O 584905613 BWIQWTUDCFCICX-SZVQBCOZSA-N 413.301 -2.703 0 1 HAAF in-vitro C/C=C1/[C@H](CC(=O)O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14617959 XSCVKBFEPYGZSL-VTWNMHDOSA-N 404.368 -1.747 0 1 HAAF endogenous,in-man OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 95635571 OUGBMVAQMSBUQH-ADBMCIFYSA-N 414.360 -5.656 0 1 HAAF in-vitro CC(=O)NC[C@H](OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 169339530 UPXZUBCWDQNNSR-LHNHDZCFSA-N 418.303 -2.358 0 1 HAAF Cc1c(CCO[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@@H](C)[C@@H]2O 238733749 LRNTYOVTZADMMX-ILWLTIKSSA-N 412.435 -1.288 0 1 HAAF Nc1n[nH]c2c1ncn2[C@H]1O[C@H]2C[C@@H]3O[C@@H](C(=O)O)[C@H](O)[C@H](O)[C@@]3(O)O[C@H]2[C@H]1O 238766264 WYWQLYUXFSUFNU-RCVSCFLKSA-N 413.343 -3.349 0 1 HAAF O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356345541 UJXBXUSHOWRLIG-GGKNCZLPSA-N 422.276 -5.893 0 1 HAAF CS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@H]1O 40527378 ZDQUEPDNMYMYGB-UTHRFFRBSA-N 417.488 -2.317 0 1 HAAF CC(=O)OCC1=C2[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@@H]2CC1 2356412517 SBKHBPAOTDHFBN-ZLUCGETJSA-N 416.379 -1.603 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1[C@@H]1O[C@@H]1[C@]21O[C@H]1O 42876664 UXNDFLAYYHSFII-MTEXANSGSA-N 418.351 -3.683 0 1 HAAF CCC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O 1911582090 CYUSCEPWNDYKIP-IHRRRGAJSA-N 401.508 -1.497 0 1 HAAF O=Cc1cn([C@@H]2O[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)[C@H](O)[C@H]2O)c(O)n1 2356593083 WTBZLHVWKJDNBL-MXMYXWPFSA-N 401.328 -2.155 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@]3(C)O[C@H]3[C@@H](O)[C@]12O 255282713 XZVXEPPPQBLGMQ-BJXDXXJJSA-N 420.367 -3.905 0 1 HAAF C[C@@H](C=C[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356454146 AQDQRSAVDNFBEA-MNUOXCSDSA-N 402.440 -1.363 0 1 HAAF CC[C@@](C)(O)[C@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356633324 UKSHFSUBKYPKMO-JUSAYDMQSA-N 416.423 -1.570 0 1 HAAF CC(=O)N[C@H]1[C@@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1N(CCCCN)C(=N)N 49803485 WYYAQMPTVYCKPG-HNTFPEDGSA-N 403.436 -3.125 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@H]1[C@@H](O)[C@]2(O)CO[C@H]([C@H]2O)N1O 100878141 JOBDOAKLPNMGKV-CLIHSAHISA-N 413.383 -3.286 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](F)[C@@H]1OP(=O)(O)O 299811542 DQKWTOBKSULEKU-MLQGYMEPSA-N 422.084 -2.506 0 1 HAAF CC(=O)NCC(=O)NCC(=O)N1C[C@@H](O)C[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O 299864752 SAROQPRMEZEAQX-RWMBFGLXSA-N 415.447 -3.101 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(Cl)ccnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236000 VIVBNEPDMNYMIZ-QXHUBSRTSA-N 416.818 -1.875 0 1 HAAF C[C@]1([C@H](CO)P(=O)(O)O)O[C@](C)(n2cnc3c(N)ncnc32)[C@@](C)(O)[C@]1(C)O 957902458 CVPFBFVGFOSKCW-KVOGPGQGSA-N 417.359 -1.089 0 1 HAAF CC(=O)c1cccc(N[C@@H]2[C@H](N)[C@](NC(=O)N(C)C)([C@H](C)O)[C@](C)(O)[C@@]2(O)CO)c1 2356808688 ZBMYQXMIVFKMOG-YMKHPPHNSA-N 424.498 -1.124 0 1 HAAF O=C(O)c1cc(O[C@H](C(=O)O)P(=O)(O)O)c(O)c(C(O)(C(=O)O)C(=O)O)c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in-vivo C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O 100782599 SGUOENJPMRQEMJ-DBHZPWEMSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man CC(=O)CC[C@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356344970 HFJWZOCWIUZTNY-YKPJNLOGSA-N 408.444 -1.558 0 1 HAAF CCCCO[C@@H]1C[C@H]2[C@@H](C(CO)=C[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356434921 JLNVQROWZIIJAE-CXZGZPGNSA-N 420.455 -1.782 0 1 HAAF OC[C@@H]1O[C@@H](N2CCN([C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CC2)[C@H](O)[C@@H](O)[C@@H]1O 22797741 AAHLQODCOIMLFS-KMUPWBBRSA-N 410.420 -5.796 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12 84690564 IZODPOCIKVLNIL-QFTSMDQASA-N 420.411 -1.770 0 1 HAAF COc1cc([C@H]2OC[C@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)OC[C@H]23)ccc1O 2356347327 GGKZZQZVFIZFKS-WSHLSOTNSA-N 414.407 -1.123 0 1 HAAF CC(=O)O[C@@]1(C)CC[C@@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356726469 MHPCGYUNJSQGDG-DOXNBBPISA-N 404.412 -1.474 0 1 HAAF COC(=O)/C(Br)=C\c1cc(=O)[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49089721 SNJFEAYIWZTDDM-RWBWMSFYSA-N 407.173 -1.943 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)C(=O)O 238733688 MLZKYGRNLPVMHX-OWWFAGIBSA-N 418.351 -3.166 0 1 HAAF O=C1NC(=O)[C@@H]2C[C@@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@@H]2N1 618014430 YHXFGKZEEPXONW-YRGRVCCFSA-N 405.440 -1.170 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H](O)[C@H]2C 2356478035 QDEYKGKBMCIYCT-STTSTUGCSA-N 406.384 -3.180 0 1 HAAF CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@H](NC(=O)CCN)[C@H](O)[C@@H](O)C1)C(N)=O 2356866956 VPQMHHFQWPVPSC-ZPFDUUQYSA-N 406.461 -3.723 0 1 HAAF O=c1nc(O)ccn1[C@@H]1[C@H](O)[C@H](O)[C@]2(CO[P@](=O)(O)OP(=O)(O)O)C[C@@H]12 253635032 BFWUJFNKDUGYMX-RSTVUIDKSA-N 414.200 -1.542 0 1 HAAF C[C@H](/C=C/[C@H]1C(C)(C)C[C@H](O)[C@@H](O)[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255209355 FKLUOSPYDPNATQ-XBPXKGELSA-N 406.472 -1.734 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 86005505 ILEPOIYJHJQWCK-WQSFVMQOSA-N 414.360 -5.656 0 1 HAAF in-man COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)[C@H](O)C[C@@]12O 238770086 IKSXXSBNUQXFLT-BCQLTHOLSA-N 406.384 -3.036 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2[C@@H]3[C@]1(O)O[C@]14C(=O)N(C)C5=CC=C[C@H](C[C@H](C2(C)C)[C@@]31O)[C@H]54 2356717097 GUZVDQAQJRGKEH-MAZSYZMJSA-N 416.430 -1.324 0 1 HAAF Cc1ccc(NC(=O)N[C@@H]2C=C(C(=O)N[C@H](CC(=O)O)C(N)=O)C[C@H](O)[C@@H]2O)cc1 2356809617 AROXAAJJSQDYKL-HGTKMLMNSA-N 420.422 -1.018 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 147959510 LABSPYBHMPDTEL-XZIHVROHSA-N 422.276 -5.280 0 1 HAAF O=C(O)[C@@]1(O)C[C@@H](O)[C@@H](O)[C@@H]([C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)O1 238744430 DENGNXBHVRIEBZ-PPYKLRASSA-N 400.333 -5.552 0 1 HAAF COc1ccc(C[C@H](NC(=O)[C@]2(O)C[C@H](O)[C@@H](O)[C@H](NC(C)=O)C2)C(N)=O)cc1 2356484807 IRSWYQVPCMHTQR-ZHEXZJMTSA-N 409.439 -2.041 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356605816 SMUMBCREXHTKFN-IZGFOGAQSA-N 416.423 -2.145 0 1 HAAF C[C@@H](O)[C@@]1(O)CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@@]21C 2356669373 ZEWGTIKMRLEWOT-FINODVLTSA-N 416.511 -1.212 0 1 HAAF CC[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)OC)[C@H]1CC(=O)OC 2356774601 BLSKAXDYTCOOKT-OVNNBBDKSA-N 418.439 -1.120 0 1 HAAF CC[C@H](O)CC[C@H](C)O[C@@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1O 238771332 WCDGAIFTRLPECT-JAXSNMAYSA-N 424.487 -1.185 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(O)C(=O)O 2356540952 MLZKYGRNLPVMHX-AVNAEMLASA-N 418.351 -3.166 0 1 HAAF CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=O)CSCC(=O)O)[C@H](O)[C@@H](O)C1)C(N)=O 2356828938 IMOZYBHUDFVJQE-ASHKBJFXSA-N 417.484 -1.643 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](F)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O 28758953 DQKWTOBKSULEKU-GAYJSANJSA-N 422.084 -2.506 0 1 HAAF C[C@@H](/C=C/[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38321806 XZRJEYQBLXDNNU-DRKFIVKCSA-N 406.472 -1.589 0 1 HAAF biogenic,in-vitro N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587218209 FWMBQIRLWTUCMD-GXSJLCMTSA-N 402.371 -1.157 0 1 HAAF Cc1cc2c(c(C)c1CC(O)O)C(=O)[C@H](C)[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466822 UGOPGIWAZTVIOJ-DFDNVGMHSA-N 412.435 -1.153 0 1 HAAF CC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 2356504152 GJCLXUNGVGZROH-VRFLDQOLSA-N 416.379 -1.747 0 1 HAAF CC[C@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)O)[C@H]1CC(=O)OC 2356776723 JMQHOGABGMTPGK-GGKMICEZSA-N 404.412 -1.208 0 1 HAAF O=[P@@](O)(OCC(O)CO[P@@](=O)(O)OC[C@H](O)CO)OC[C@@H](O)CO 4096230 RCBRFGAYXGRKBS-JVHMLUBASA-N 400.210 -2.679 0 1 HAAF in-vitro N=C(N)NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@@H]3O)c12 2356355782 HEPDMOJOMOXAQO-ATNYBXOESA-N 408.411 -1.710 0 1 HAAF CC1=CCO[C@@H]1NC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O 2356436572 QRYALAVQOARQPI-LQNIMYEVSA-N 406.388 -4.000 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O 39812321 UZFHNLYQWMGUHU-VWYCJHECSA-N 417.467 -2.975 0 1 HAAF biogenic O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](O)C(O)[C@H](O)[C@H]1OP(=O)(O)O 104873569 GKDKOMAJZATYAY-UYSNGIAKSA-N 420.093 -3.484 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](O)[C@H](O)[C@@H](O[P@](=O)(O)OC[C@H](O)CO)[C@H](O)[C@H]1O 2356384249 MRHAWIJFXZJZEV-AIGIYKQSSA-N 414.193 -4.223 0 1 HAAF O=c1[nH]c(NC[C@H](O)[C@@H](O)[C@H](O)CO)c(CCCCCP(=O)(O)O)c(=O)[nH]1 3871088 BMATWAHJJFXMFA-HBNTYKKESA-N 411.348 -2.559 0 1 HAAF in-vivo CC(=O)N[C@H]1CCCC[C@@H]1OCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O 27623557 BFCWEAHZTMIOFA-DEQVHRJGSA-N 414.459 -1.210 0 1 HAAF CSCC[C@@H](NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C(=O)O 85808402 OGZNUDJBIAOLAA-LPEHRKFASA-N 407.445 -1.149 0 1 HAAF in-man OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 100829903 FHLVHZWPBBNFQR-ZGKQFZBHSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man O=C(O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O)c1cn(Cc2c(F)cccc2F)nn1 299853244 IFDYWWLUYKLHKC-DJUFWWRVSA-N 415.305 -1.346 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](OC)[C@@H]12 2356384757 XJZRHAMUBWIJEV-MMRWSBQSSA-N 418.395 -2.604 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 5543481 SJGIZVRSHOSUJA-GVXVVHGQSA-N 418.370 -2.922 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12 5760340 DKSFGHQZRXXSTP-UJPPDZPASA-N 402.352 -2.137 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO 144828292 XJMPAUZQVRGFRE-ORZLNGNCSA-N 404.368 -3.258 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 257469594 KYVUMEGNMQDSHO-QAHIZWFDSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@](O)(CO)[C@@H]1O 2356506042 YSMFIJDRMWRYKD-LEEBJXSBSA-N 416.423 -2.490 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)[C@H]1[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O 34105410 JOBDOAKLPNMGKV-NLMAICCYSA-N 413.383 -3.286 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 195497857 PADHSFRQMFRWLS-IQIRKJOLSA-N 400.380 -1.874 0 1 HAAF O=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)cc1 238742880 WNBIKNLJJFCZAQ-OKOXNFRXSA-N 416.379 -2.857 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(C/C=C/c1ccccc1)c(=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 27179710 NURJUESNUGNUFN-GTJKFFAGSA-N 415.406 -1.207 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 238765817 PADHSFRQMFRWLS-XNFQBJKGSA-N 400.380 -1.874 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356390257 VLAZYPZGDJXPDY-DLKIHSJDSA-N 402.396 -2.534 0 1 HAAF COC(=O)CCCn1cc(CN2C[C@H](N3CCN(C)CC3)CS2(=O)=O)nn1 96020935 RSZNIUPFBNNOEG-HNNXBMFYSA-N 400.505 -1.007 0 3 HAAF CN1C(=O)C[C@@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 3873380 LQZAIAZUDWIVPM-SDDRHHMPSA-N 405.415 -2.146 0 1 HAAF N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(N)=O)cc1 13777988 IMITZVDOIBEPNT-LBPRGKRZSA-N 418.410 -2.300 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 263636654 HHNPREGNVCFCOP-HGUUMILSSA-N 400.380 -1.874 0 1 HAAF Nc1ncnc2c1c(-c1cc[nH]n1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857572561 GUQZYTMTEXUJIM-ZRFIDHNTSA-N 412.388 -2.362 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](CCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356365476 MSMRYTASZYWIJR-YROBGDRGSA-N 414.451 -1.687 0 1 HAAF CC(C)Sc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857601025 CDIBRSZOZOHBQK-HTVVRFAVSA-N 420.473 -1.252 0 1 HAAF NCC(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@H](n2cnc3c(N)ncnc32)[C@H]1O 2356343313 LPXHMYZVWBYXCR-LONBWQEISA-N 404.276 -2.353 0 1 HAAF CCCCCC(=O)O[C@H]1[C@H](O)[C@@H](OC[C@H](O)[C@@H](O)CO)O[C@H](COC(C)=O)[C@@H]1O 2356344509 BGLMHEUNVVQFLX-HYFQUOKESA-N 424.443 -1.781 0 1 HAAF OCc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356404134 DHOHKRJHRNXWGD-QDRMNVNKSA-N 418.395 -3.178 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H]5CO[C@@]4(C[C@@]31O)C(=O)N5C)O[C@H](C)C(C)(C)C2=O 2356635895 OCOGVDWCHPHWSN-ALGZYNQESA-N 422.434 -1.026 0 1 HAAF O=C(c1cc(O)cc(O)c1)c1c(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O 2356644101 SILOTFUKVQVHLR-WHUJPVCOSA-N 424.358 -1.081 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@@]2(C)O 2356670546 SCXMMKUKDINSDI-MEKVRNRGSA-N 404.412 -2.577 0 1 HAAF COCC(=O)O[C@H]1[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O 28763731 NNONZLUPBQRBKD-LYSFXRMGSA-N 421.200 -1.289 0 1 HAAF NCC(=O)NS(=O)(=O)OC[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@H]1O 58638464 AMWPZASLDLLQFT-REFFQAGNSA-N 403.377 -3.636 0 1 HAAF in-vitro O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS(=O)(=O)O 238780291 QMQWLEMWUQZSHH-QVLXMGEUSA-N 406.365 -1.424 0 1 HAAF CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](NC(C)=O)[C@@H](C)O 1911572975 JJTDHVRGNGCJEH-OJLVUWQFSA-N 415.535 -1.237 0 1 HAAF COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3cnn(C)c3)O[C@H]2[C@H]1O 2356312828 MHYBNCMAJFEWDY-BIYBGRMPSA-N 411.459 -1.342 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C(=O)O)CC[C@H]12 2356456811 RLCWEUBIDIWNEA-VWWYAJSUSA-N 404.368 -2.057 0 1 HAAF CN1CCN([C@@H]2[C@H](CNS(=O)(=O)c3ccc(F)cc3)O[C@H](CO)[C@H]2O)CC1 2356845991 OJKRWVFHSSAVDG-YLFCFFPRSA-N 403.476 -1.159 0 1 HAAF CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H]([C@@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN 3830238 BIDUPMYXGFNAEJ-GMLIJNLLSA-N 405.496 -3.585 0 1 HAAF C[C@@H]1CN1C[C@@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 28218624 ZFLQPYGPDPYNQY-SROMZPHWSA-N 407.504 -1.798 0 1 HAAF CO[C@@H]1O[C@H](Cn2cc(CN3C(=O)c4ccccc4C3=O)nn2)[C@H](O)[C@H](O)[C@H]1O 49071105 WBCXQBGMSFELTA-SUKQMUEJSA-N 404.379 -1.472 0 1 HAAF N=C(N)NCCC[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O 95558641 BILCXNYDRJLYFG-KBPBESRZSA-N 420.470 -1.188 0 1 HAAF COc1ccc(/C=C/C(=O)OC[C@@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc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c2cccc3c(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cccc23)[C@@H]1O 28714112 CDVHWPZBGBFEAM-TUAJPIDRSA-N 424.402 -1.525 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356474088 CGZNTHDUAFIKOH-SPPOEXJDSA-N 416.423 -2.491 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@H]12 2356566306 YWYMRDWOSVYTFC-IBJHFWOQSA-N 416.423 -2.552 0 1 HAAF C[C@H]1SC[C@H](C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O 4654836 RSHMQGIMHQPMEB-MGAJPHDKSA-N 408.484 -1.467 0 1 HAAF in-vitro O=C1C[C@H]2S[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@H](O)[C@H]3N2C4=O 196989715 KFDSXBGPHVNSIT-DXOBHMFTSA-N 422.484 -1.275 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](CO)c2ccccc2)[C@@H](O)[C@H]1O 199376035 FJYGIZYHEOBVAR-FHZSBBOESA-N 400.395 -1.123 0 3 HAAF O[C@@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 100827395 ILEPOIYJHJQWCK-WTOFQCPNSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356425845 KZJGQDHNEMBJJZ-RVRDDNCVSA-N 416.423 -2.145 0 1 HAAF O=P(O)(O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 100190559 FIIUDBCIQWHEHT-VOEMVRBLSA-N 422.276 -6.507 0 1 HAAF in-vitro CC(C)C[C@@H]1NC(=O)[C@@H](CC(C)C)N(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1=O 2356421231 ZVZSSTYLWXWSDK-ARJMDAIASA-N 404.460 -1.494 0 1 HAAF COC(=O)[C@@]1(O)C(OC)=C(C2=C(OC)[C@](O)(C(=O)OC)N(C)C2=O)C(=O)N1C 14558559 VWULKWWBQVWDNQ-HOTGVXAUSA-N 400.340 -2.545 0 1 HAAF biogenic COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)O[C@H](OC)C[C@H]12 85530563 IZODPOCIKVLNIL-KRFJVBHRSA-N 420.411 -1.770 0 1 HAAF biogenic,in-vitro OCc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356404133 DHOHKRJHRNXWGD-NYAKCOCZSA-N 418.395 -3.178 0 1 HAAF CC(C)(O)[C@@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356560723 CHRIGVPNNGMWMG-REISYBLGSA-N 402.396 -1.960 0 1 HAAF O[C@H]1[C@@H](O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@H](O)CO[C@H]1O 86005485 RBNRMSRJWILJMU-FOYKJMAXSA-N 414.360 -5.656 0 1 HAAF in-man N[C@H](CN[C@@H]1C[C@H](N)[C@@]2(CC[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O)Cc1ccc(O)cc1 103266684 ICYBXEBHTIROHA-IUQUZFMMSA-N 411.499 -2.056 0 1 HAAF O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@@H](O)[C@@H](O)[C@@H](O)CO)c2[nH]1 238749928 TXDRHIOQUDLCPV-GBIKHYSHSA-N 406.351 -2.779 0 1 HAAF O[C@@H]1[C@H](O)[C@@H](OC[C@@H]2O[C@H](O[C@@H]3[C@H](O)CO[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@H]1O 257528869 RBNRMSRJWILJMU-NHOUMSABSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@H]1CC(=O)OC 1857749495 PNLZHIXZJTYUDR-JYVCFIOWSA-N 404.368 -1.747 0 1 HAAF CC1=CCO[C@@H]1NC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)C(=O)O 2356436573 QRYALAVQOARQPI-PUZOARKSSA-N 406.388 -4.000 0 1 HAAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCNCC3)[C@@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1 2356597718 SIUAXZCKJHKVLC-DTJSUFBGSA-N 417.528 -1.739 0 1 HAAF C[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39830664 NIHNMOSRSAYZIT-BPNCWPANSA-N 408.459 -1.401 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N2Cc3ccccc3C[C@@H]2C(N)=O)C[C@@H](O)[C@@H]1O 2356859716 TXXQTQGCFUUGCA-QXWDTAIYSA-N 416.478 -1.430 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1623765 SFEJDVWRGQKIIY-TZQXKBMNSA-N 408.152 -1.477 0 1 HAAF O=c1[nH]c(NC[C@H](O)[C@H](O)[C@H](O)CO)c(CCCCCP(=O)(O)O)c(=O)[nH]1 3871086 BMATWAHJJFXMFA-AXFHLTTASA-N 411.348 -2.559 0 1 HAAF in-vivo C[C@](O)(CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 15104592 LCIXUGGPLIEEGU-ZFSQYJSHSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man CN1C(=O)NC(=O)C[C@H]1C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O 26254005 OANIJWQNWHMDMC-UTUOFQBUSA-N 405.415 -2.146 0 1 HAAF Cc1cn([C@@H]2C=C[C@H](COC(=O)C[C@@]3(CC(=O)O)OCOC3=O)O2)c(=O)[nH]c1=O 26475116 RFYXRHGCAAWGTH-VGTOOOLASA-N 410.335 -1.024 0 1 HAAF C[C@H](NC(=O)[C@@H](C)NC(=O)[C@H](N)CC[S@](C)(=O)=NP(=O)(O)O)C(=O)O 83922466 BLHBHYHQDXRTCR-YIBVWYQHSA-N 402.366 -2.012 0 1 HAAF in-vitro CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@@]31O)O[C@@H](C)C(C)(C)C2=O 2356484547 YSKRVHAAQGSYFK-HNFMONLBSA-N 422.434 -1.267 0 1 HAAF COc1ccc(C=CC(=O)OC[C@H](O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356673274 LENQPFHDGQUMMQ-OFKBEIEGSA-N 414.407 -1.571 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@@H]1O[C@H](O)C[C@@H]1O 2356740348 AIWQBXPYUYKLDD-IKERETKASA-N 410.205 -1.827 0 1 HAAF COc1cc([C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CO)cc(OC)c1O 2356339935 BWTUJFUIJMARGG-UBLKGHJISA-N 406.384 -2.380 0 1 HAAF COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3nccn3C)O[C@H]2[C@@H]1O 2356350199 WXZICQSFCXLXOK-XIUQWWLSSA-N 411.459 -1.342 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]21C 2356434777 DTHRMEYEJGYKKG-UPWJBNNBSA-N 404.412 -1.618 0 1 HAAF C[C@@H]1O[C@H](O[C@H]2[C@H](NC(=N)N)[C@@H](O)[C@@H](NC(=N)N)[C@@H](O)[C@H]2O)C(O)(O)[C@@]1(C)O 2356447462 TVWDYAJGQFKWSL-BLBGYIBTSA-N 408.412 -5.652 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C1=C[C@H](O)[C@@]2(C)O 2356473605 KSQVTHWVSWYGNQ-HAOXYKBUSA-N 404.368 -3.116 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1C=C[C@@]2(O)C(=O)O 2356540953 MLZKYGRNLPVMHX-BMGYYBBQSA-N 418.351 -3.166 0 1 HAAF C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(=O)[nH]c(=O)[nH]3)NC3=[N+]2[C@@H]1CN3 38559478 KDNLTVRXCBZFNF-YUQKHPEDSA-O 416.436 -2.605 0 1 HAAF C[C@H]1C(=O)O[C@@H]2C[C@@]34[C@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O 103622801 LMEHVEUFNRJAAV-XTGXHHOKSA-N 424.402 -1.370 0 1 HAAF in-man CNC[C@@H]1CC[C@@H](NC(=O)CNC=O)[C@H](O[C@@H]2[C@@H](N)C[C@@H](OC)[C@H](NC)[C@H]2O)O1 238782843 NKRBCHAZRNKYCR-OFTAEMBNSA-N 417.507 -2.978 0 1 HAAF CCCCCOC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O 535386652 ZLOPGKZMRGGNDS-IKKURHKOSA-N 404.434 -1.802 0 1 HAAF in-vitro COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3cnn(C)c3)O[C@H]2[C@@H]1O 2356312827 MHYBNCMAJFEWDY-BDLOOMQFSA-N 411.459 -1.342 0 1 HAAF O=c1[nH]c(=O)n([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)cc1F 17354009 FOZCNVFQOJRHFF-NRFSWKIWSA-N 422.151 -2.479 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 27759517 QMDZPOJZRZEFED-QPXLLFJUSA-N 400.384 -3.326 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1=O 299814403 GGBYVYDNNBAHOS-QZDOHJIMSA-N 403.395 -1.097 0 1 HAAF C[C@@](O)(CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334907 LCIXUGGPLIEEGU-XQNZHQRGSA-N 424.402 -1.336 0 1 HAAF in-man C[C@@H]1C(=O)O[C@H]2[C@H]1[C@]13O[C@H]4OC(=O)[C@@H](O)[C@@]45[C@@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]53[C@H]2O 104351674 KDKROYXEHCYLJQ-XXOWFQEMSA-N 424.402 -1.514 0 1 HAAF in-man Nc1ncnc2c1ncn2[C@H]1C[C@H](CS(=O)(=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@@H]1O 169328086 WEJCSEDKUUEPSC-SXLYUPOASA-N 414.444 -2.092 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 221514388 ITPHOIFCAFNCLL-QUYVBRFLSA-N 422.276 -5.280 0 1 HAAF in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@](ON[N+](=O)N2CCCC2)(C(=O)O)O[C@@H]1[C@H](O)[C@H](O)CO 1772601371 IAXNALXUYUUJOC-XFKURJONSA-O 423.399 -3.638 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O 8829467 SQOJOAFXDQDRGF-ZYSBDDJRSA-N 424.402 -1.370 0 1 HAAF CNC[C@@H]1CC[C@H](N)[C@H](O[C@@H]2C[C@H](N)[C@H](OC)[C@@H](O)[C@@H]2N(C)C(=O)CNC=N)O1 606493339 YHLFRQHBLKQPRR-HONXMLQXSA-N 416.523 -2.446 0 1 HAAF biogenic O=P(O)(O)OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356344117 ZKSTYMJGEHZSFH-XCQRIYNASA-N 415.332 -4.460 0 1 HAAF C[C@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356740562 SNDKCNISROFTJM-OOPNDJFDSA-N 424.402 -1.336 0 1 HAAF O=C(Cc1ccccc1)[C@@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356743440 COIWSEYSYQONRZ-BZJABYIISA-N 414.407 -2.896 0 1 HAAF C[C@@H](O)CC[C@@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356383622 SNMLGMAKMWIVSL-IHAIJFHZSA-N 406.472 -1.492 0 1 HAAF CN[C@H](C(=O)N[C@@H]1C[C@](O)(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@H](O)[C@H]1O)C(C)C 2356825709 HFDROTXGFVYQFH-GGODBVFXSA-N 416.519 -2.022 0 1 HAAF CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](CCS(C)(=O)=O)C(N)=O)C[C@@H](O)[C@@H]1O 25428478 ZVIDJVABGIZNEE-FDYHWXHSSA-N 420.488 -2.479 0 1 HAAF biogenic COc1cc([C@@H](O)[C@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 238777648 AAZJIDQNEUWCEO-LFWJNILXSA-N 406.384 -2.380 0 1 HAAF O=C(O)CN(C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)CP(=O)(O)O 263638571 VUFLGAGEDNEJIV-XRRXOLGASA-N 413.209 -3.939 0 1 HAAF Oc1ccccc1CO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356518977 JDCZPTGZKIDCQI-SBZRRJQCSA-N 418.395 -2.828 0 1 HAAF CC[C@H](O)CC[C@H](C)O[C@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O 2356583517 WCDGAIFTRLPECT-CCDBMAHSSA-N 424.487 -1.185 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2ccccc2)C(N)=O)C[C@@H](O)[C@H]1O 2356847327 OVYJPEIBIMXVNU-YFTGLANFSA-N 404.467 -1.656 0 1 HAAF CCN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 26259505 RUIPHNJSXWCPPW-YNEHKIRRSA-N 419.442 -1.756 0 1 HAAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N2CCN(C3=CC=C[CH]N3)CC2)CC1 2356834953 WLFAKYZZAYIJGB-IZZBFERCSA-N 406.551 -1.060 0 1 HAAF O=P(O)(O[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 219964952 DCDHSOINTWUWCZ-NCFXGAEVSA-N 422.276 -5.280 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CC(C)=O)=CC[C@@H]12 2356363079 GQPCBYJMUDSCJZ-MPVSTLOYSA-N 414.407 -1.242 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1OCc1ccccc1 2356373671 FRACCEHBKJCTJJ-LPIXCCKLSA-N 416.423 -2.491 0 1 HAAF O=C1C[C@H]2S[C@@]34C[C@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@@H](O)[C@H]3N2C4=O 2356515322 KFDSXBGPHVNSIT-OULMVDMUSA-N 422.484 -1.275 0 1 HAAF COc1cc([C@@H](O)[C@@H](O)CO)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356627080 VIKGCVPVRTWXMM-WOSJFKKMSA-N 406.384 -2.731 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356740563 SNDKCNISROFTJM-UDBWEOSYSA-N 424.402 -1.336 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@]1(O)CC[C@@]2(C)O 85509036 RWMXKBUPLSNIJL-VALIWVFLSA-N 406.384 -2.892 0 1 HAAF biogenic,in-vitro Oc1ccccc1CO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238740265 JDCZPTGZKIDCQI-NWQIESHVSA-N 418.395 -2.828 0 1 HAAF COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O 587448930 NILOYBMGQBEVOY-HNFISXNCSA-N 420.307 -1.636 0 1 HAAF C[C@H]1C[C@](C)(O)C(=O)[C@@H]2[C@@H](O)[C@H]3[C@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@H]4CO 1857759691 TYUSHSMNEUZGNO-KAADVHEXSA-N 410.419 -1.038 0 1 HAAF C[C@@H](O)C=C[C@@]1(O)[C@]2(C)CO[C@@]1(C)C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2 2356440312 WLKZBLXGVRKFFG-HVNBXYISSA-N 404.456 -1.571 0 1 HAAF CN[C@@H]1[C@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@H]2N)[C@@]1(O)NC(C)=O 2356535822 AZMAMVNEQRREQB-DKHVMYFBSA-N 403.480 -3.194 0 1 HAAF O=C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1 2356734182 XCYNBEZJSJGJGO-SBPCTCCISA-N 416.379 -2.893 0 1 HAAF O=C(O)CN(C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O 253810631 VUFLGAGEDNEJIV-FAYXRDSDSA-N 413.209 -3.939 0 1 HAAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO 587619688 YPWPFLZDPKXXRS-GNFZRLRESA-N 422.386 -1.479 0 1 HAAF CC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 14957623 IBIPGYWNOBGEMH-KRZOCAFKSA-N 414.363 -2.296 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39830809 NLRJGXZWTKXRHP-DCAQKATOSA-N 401.468 -2.447 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)OC[C@H]2O)[C@H](O)[C@@H]1O 85736198 FUDXMJHOJWYSEJ-DETMMITNSA-N 414.360 -5.656 0 1 HAAF in-man O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 85875794 DSDFXGQRZAFFQA-GVJMRTRZSA-N 416.379 -2.859 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1C=C[C@@]2(CO)OC 2356422199 JBBLCGRIZVRWJC-JRXIWESQSA-N 418.395 -2.604 0 1 HAAF C[C@H](C=C[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356488725 XZRJEYQBLXDNNU-DJEULNNCSA-N 406.472 -1.589 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356526793 LREJRSFSOHVXFP-QDRMNVNKSA-N 418.395 -3.178 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356526794 LREJRSFSOHVXFP-QIBDZQDVSA-N 418.395 -3.178 0 1 HAAF O=C(C=Cc1ccc(O)cc1)OC[C@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356644463 HHNPREGNVCFCOP-ZACOSQSXSA-N 400.380 -1.874 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H]1O 2356664866 LJCFNEWFKJURHR-MHHLUWORSA-N 413.376 -5.498 0 1 HAAF OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 100827401 FASIISXZAJLLSP-JBMWOWOESA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@H]12 238772758 PTPQTMGOUIHFNR-IYQBLMFUSA-N 418.395 -3.011 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](CS(=O)(=O)CC[C@H](N)C(=O)O)[C@H](O)[C@H]1O 253639268 WEJCSEDKUUEPSC-TWXYISROSA-N 414.444 -2.092 0 1 HAAF CCCCCC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356410073 AMVRNAAKLTUFDK-HHZTXBFGSA-N 410.416 -2.627 0 1 HAAF O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@@H](O)C(O)[C@@H](O)[C@H]1OP(=O)(O)O 4556577 GKDKOMAJZATYAY-GQXJQEMDSA-N 420.093 -3.484 0 1 HAAF O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@H](O)[C@H](O)[C@H](O)CO)c2[nH]1 15274295 TXDRHIOQUDLCPV-CWSCBRNRSA-N 406.351 -2.779 0 1 HAAF biogenic CCCn1c(=O)n([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 27106912 TVJHDKPEPAEFOH-TXRROPDSSA-N 421.303 -2.393 0 1 HAAF O[C@H]1[C@H](O)CO[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 1857622146 WOGBNISMMIOPAZ-SRUZXEAMSA-N 402.396 -2.534 0 1 HAAF C[C@@H]1O[C@H](O[C@H]2[C@@H](NC(=N)N)[C@@H](O)[C@@H](NC(=N)N)[C@@H](O)[C@H]2O)C(O)(O)[C@@]1(C)O 2356447464 TVWDYAJGQFKWSL-OZWZPODLSA-N 408.412 -5.652 0 1 HAAF CC[C@@H](O)c1ccc(O[C@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 2356505741 OGVIBZYVGMXVLC-LHAWZPRUSA-N 418.439 -1.305 0 1 HAAF C=CC(=CNC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)C(=O)O)CO 2356747412 PYEDMQSECHECBB-QWXXZGNOSA-N 406.388 -4.240 0 1 HAAF C[C@H]1[C@H]2CN[C@@H]3N[C@@H]([C@H](O)c4cc(O)nc(O)n4)C[C@@H](C[C@H]1OS(=O)(=O)O)N23 2356834200 KMDOTOMOSCRTQE-PSVNHYMYSA-N 417.444 -1.563 0 1 HAAF OC[C@@H]1O[C@H](N2CCN([C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)CC2)[C@@H](O)[C@@H](O)[C@@H]1O 22947438 AAHLQODCOIMLFS-IYJBWWAGSA-N 410.420 -5.796 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356474087 CGZNTHDUAFIKOH-FCSTYLMUSA-N 416.423 -2.491 0 1 HAAF Cc1ccc(S(=O)(=O)NC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)s1 61922306 AYJBGBQRERYMMI-HUXSOILUSA-N 402.454 -1.207 0 3 HAAF O=S(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356307422 WVFKPISWLUJJIJ-ZGYUUJLWSA-N 422.361 -5.570 0 1 HAAF COC(=O)C1=C2C[C@H](O)[C@H](C)[C@H]2[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H]1OC 2356389300 PSQQPRMLISSRFV-XRIQSGDLSA-N 420.411 -2.382 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356656826 ZCNREQTVGGXJTO-UFNHMRPESA-N 408.444 -1.989 0 1 HAAF C[C@@H]1O[C@]2(C[C@@H]3N4C(=O)[C@@]5(CO)S[C@@]4(C[C@@]3(O)[C@@H]2O)C(=O)N5C)C(=O)C1(C)C 2356693012 ULBJGCQGFOPTBQ-GNLKNTHWSA-N 412.464 -1.561 0 1 HAAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2N2CCN(C3=CC=C[CH]N3)CC2)CC1 2356834954 WLFAKYZZAYIJGB-UYWIDEMCSA-N 406.551 -1.060 0 1 HAAF CN(C)C(=O)Cn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 13818999 QYLZGQFVJRXRPQ-DMEFTLKTSA-N 418.414 -2.028 0 1 HAAF C[C@@H](N[C@@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 27519099 UILSQVXVCCBDQF-LSCVPOLPSA-N 414.415 -1.248 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 100351993 LABSPYBHMPDTEL-KPXNTPSRSA-N 422.276 -5.280 0 1 HAAF O=C(O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356440899 VJWJBEKMAHGPHV-JJTOANFHSA-N 416.379 -2.893 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](CNC3=NS(=O)(=O)c4ccccc43)[C@@H](O)[C@H]2O)n1 61935920 HBBKFRJKDMHLNT-ORXWAGORSA-N 408.396 -2.265 0 3 HAAF N=C(N)N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1NC(=N)N 14191696 SOBOASBOKGPTNI-HKEUSBCWSA-N 406.444 -6.067 0 1 HAAF C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@@H](O)c3cc(=O)[nH]c(=O)[nH]3)NC3=[N+]2[C@@H]1CN3 36444018 KDNLTVRXCBZFNF-VDPNAHCISA-O 416.436 -2.605 0 1 HAAF O=c1nc(O)c(CCC[C@@H](O)CO)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 535385309 DZWBOVINFCXKSX-WRWGMCAJSA-N 410.316 -1.618 0 1 HAAF in-vitro O=P(O)(O)OC[C@@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@@H]1O[C@H](O)C[C@H]1O 2356740350 AIWQBXPYUYKLDD-SXRRFHHZSA-N 410.205 -1.827 0 1 HAAF C/C=C1\[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 86030264 KYVUMEGNMQDSHO-VYMQZIRDSA-N 418.395 -1.658 0 1 HAAF in-man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n2cc(F)c(O)nc2=O)[C@H](N)[C@@H](OC(C)=O)[C@H]1OC(C)=O 263606847 RIOXASLXDGZHON-ARUSPNSKSA-N 417.346 -1.261 0 1 HAAF CCCCCO[C@H](COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O 84616347 JVJACORASAJWCM-GWOFURMSSA-N 412.265 -1.137 0 1 HAAF CC(C)=C[C@]1(O)C(=O)C(C)(C)[C@H](O)C(C)(C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356330573 MADFHBUSPUXCHC-WWDWSYGGSA-N 418.483 -1.135 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2CO 2356479187 GTEDLLYKAJRTNK-VZNKOOEASA-N 406.384 -3.178 0 1 HAAF COC(=O)C1=CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356575862 DKSFGHQZRXXSTP-OTRSSRLPSA-N 402.352 -2.137 0 1 HAAF O=C(NC[C@@H]1O[C@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)[C@H](O)[C@@H]1O)C1CC1 2356844088 CZJVDICIWYSBJV-LVFSCSRESA-N 405.475 -1.301 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]35[C@@H]2O 100898605 KDKROYXEHCYLJQ-BDDDVVJOSA-N 424.402 -1.514 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@H](O)[C@]12O 1857624003 LGTHGFVYOAZGBN-WNESWQCZSA-N 422.383 -4.065 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C(=O)O)C=C[C@@H]12 2356448169 QXLZMFXGMGPPHW-MTGBUJOJSA-N 402.352 -2.281 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356538926 WGYSMZQKECLRAK-CBYBWUDQSA-N 418.395 -3.179 0 1 HAAF CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c2ccccc21 2356651526 QKHYSKWZRQYVRE-XFFUMKDTSA-N 413.423 -2.457 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@H]1O 2356766063 HNKQGVAGEKCKSR-KCUUDIFBSA-N 414.360 -5.656 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356846175 OKWNRLSXOLFVKF-CASCTCEHSA-N 416.380 -5.590 0 1 HAAF NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(N)=O 40939354 UHUODWLSNOUTEQ-AVGNSLFASA-N 402.496 -2.109 0 1 HAAF NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@]1(C[C@H](O)CO)B5B1B4B12 197968185 NLVASRZWGZOVHD-JYJNAYRXSA-N 407.579 -3.089 0 1 HAAF COc1cc(O)c2c(c1O)O[C@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2=O 2356406200 PQRKVWODCPXGQL-WYOXDYGPSA-N 404.324 -2.815 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356442775 OXNYNKGAOAFFBD-LIXYLALMSA-N 420.367 -3.408 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C(=O)O 2356459155 APGVKQBABWXTCS-PEMSUUMVSA-N 420.367 -3.086 0 1 HAAF CCCCOC(=O)[C@@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356688246 SUGOCCUAKZVLFE-ZZAATBGLSA-N 416.423 -1.182 0 1 HAAF CC(=O)N[C@H]1[C@@H](COC[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C(=O)O)[C@H](O)[C@@H]1O 2356688747 KTZKZQQLGYEMEB-DTDXBVBASA-N 411.360 -5.119 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@@H](CO)Cc2ccccc2)[C@@H](O)[C@H]1O 199375966 CIHIBSXBTBIFOJ-LCLLVAKOSA-N 414.422 -1.253 0 3 HAAF CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@@H](CO)OC[C@@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 22060110 JHPFQHGUNGJQIZ-BLXZULBJSA-N 408.404 -4.428 0 1 HAAF in-vitro Nc1nc2ncc([C@H](O)[C@H](O)CO[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)nc2c(=O)[nH]1 238751111 ZOUNAJWXLVYCLF-BLJDSXRISA-N 415.359 -4.494 0 1 HAAF CC(=O)O[C@@H]1C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2[C@@H]1C 2356482551 PYRKTZSRUCICCL-WCXYXIAMSA-N 418.395 -1.668 0 1 HAAF OC[C@H]1OC[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356487706 JDGKZYSACWLQKT-CJQFLFKFSA-N 416.423 -2.491 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)OC(=O)C[C@@]12C 2356668250 IZFHVJKSJGLTCX-WYMMRWMUSA-N 418.395 -1.826 0 1 HAAF COCCCn1cc(CN2C[C@@H](N3CCN(CCO)CC3)CS2(=O)=O)nn1 96020897 STICISLAOOTJEB-MRXNPFEDSA-N 402.521 -1.562 0 3 HAAF CC(=O)O[C@H](C)CNC(=O)C[C@H]1O[C@@H](CNCCNC(=N)N)[C@H]2OC(C)(C)O[C@@H]12 49113943 KTNZVLNBQBYTIB-KKYDWHDCSA-N 415.491 -1.196 0 1 HAAF Cc1cc2c(c(CO)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)[C@H]2O 2356435872 QUCQWGWEDCGWFJ-VHCBRRNFSA-N 412.435 -1.288 0 1 HAAF N[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H]3O[P@](=O)(O)O[C@@H]32)O[C@H](CO)[C@H](O)[C@H]1O 2356461280 ZULNQPCZALKHMF-XLVDOWHCSA-N 403.277 -4.881 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@]13[C@@H]4OC(=O)[C@]1(O[C@@H]1OC(=O)[C@H](O)[C@@]13[C@H](C(C)(C)C)[C@@H]4O)[C@H]2O 44032148 HNHJADMVWISUGS-RRNNJLIASA-N 424.402 -1.514 0 1 HAAF in-vivo CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(Cl)cnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235804 UUTWOLFNGYAQRJ-OTUMZKFCSA-N 416.818 -1.875 0 1 HAAF O[C@@H]1CC[C@H](OC[C@@H]2C[C@H](OCCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356356889 NWESKLXRDKJSDE-LYNJUAAJSA-N 412.479 -1.021 0 1 HAAF CCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356696488 BMRVKYAUKKSGNJ-SEGOYARXSA-N 412.432 -3.183 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@@H]1O 85736194 FUDXMJHOJWYSEJ-LMCFRBSCSA-N 414.360 -5.656 0 1 HAAF in-man C[C@H]1C(S[C@@H]2CN[C@H](CNS(N)(=O)=O)C2)=C(C(=O)O)N[C@H]1[C@H](CO)[C@@H](C)O 263620786 NDSIVQKBUKCRBB-PQTSNVLCSA-N 424.545 -1.863 0 1 HAAF in-vitro CC(=O)O[C@]1(C)[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C[C@H]2[C@@H](O)[C@H]1O 2356754314 VVAKCWWARZTARU-JHWPBGLHSA-N 406.384 -3.038 0 1 HAAF CC(=O)CC[C@@H](C)O[C@@H]1O[C@@H](C)[C@H](O)C[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 146454617 HFJWZOCWIUZTNY-WLJKUCSMSA-N 408.444 -1.558 0 1 HAAF in-vitro NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 14951496 FBBVGKUOXFKGAI-GUIRCDHDSA-N 413.412 -2.533 0 1 HAAF C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2([C@H]1O)[C@]1(O)[C@@]3(O)C[C@](O)([C@H](C)CO)[C@@]41C 100781255 LIGPZBKBGCJTGC-JXGWQZAJSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man OC[C@@]1(O)CO[C@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238779156 NJMQSVWMCODQIP-GGHVOWDZSA-N 402.396 -2.532 0 1 HAAF O[C@@H]1[C@H](O[C@@H]2[C@H](O)OC[C@@H](O)[C@H]2O)OC[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 255283650 YDIUVWHWQCLXJJ-JNMBIANUSA-N 414.360 -5.656 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356477083 WYSRAMKKFNDRPR-BONHGPHZSA-N 400.380 -1.874 0 1 HAAF CC1=C2C[C@@H]3[C@@](C)(C=C2OC1=O)[C@@H]1C[C@H]1[C@]3(O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356755670 HCKVSBCCVCMKKB-NDCNUEOUSA-N 424.446 -1.033 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(F)cc(F)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587234871 ALXSVZAOQRLJTO-BPOSEPGKSA-N 417.365 -1.645 0 1 HAAF CC(C)C(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@H](O)[C@@H]1O 2356294384 OVABDVAACOIYJV-DMRZNYOFSA-N 415.516 -1.609 0 1 HAAF OC[C@@H]1O[C@H](Oc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378033 TYALKKBMRDZWLW-CHGWHJAXSA-N 418.395 -3.311 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)[C@@H](O)C[C@@]12O 2356479392 NQSPWJNPZSDSTK-KTKADNDZSA-N 406.340 -4.103 0 1 HAAF NCCCCNC(=O)C=Cc1ccc(O)c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356608839 VPIJTWRICRFDFB-XXQMMXQMSA-N 412.439 -1.561 0 1 HAAF COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCN(C)[C@@H]2CO 5966793 ANLAXYVKKILUOM-LDCSSLISSA-N 415.439 -1.596 0 1 HAAF Nc1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 169322515 DDFQRTUJAASDBA-ZOQUXTDFSA-N 401.205 -2.218 0 1 HAAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@@H]1O 253639158 ZDQUEPDNMYMYGB-NJURLYQPSA-N 417.488 -2.317 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257409207 DSDFXGQRZAFFQA-ZDFAQAEOSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man CC[C@H](C)[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O 2356560632 YOTNPRLPIPHQSB-CRWXNKLISA-N 415.539 -1.194 0 1 HAAF CC(=CC=CC[C@H](C)[C@H](O)CC(=O)O)C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 2356596441 IAQWGYFBKITHHC-MOHMDPIISA-N 406.428 -1.670 0 1 HAAF CC1=C[C@@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H](CO)C(=O)[C@@H]2[C@](C)(O)C12CC2 2356764620 WHTLSLQCKFRZNC-UDYFZNDZSA-N 414.451 -1.770 0 1 HAAF O=C(Cc1ccccc1)[C@@H]1O[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 59587191 COIWSEYSYQONRZ-VPMWFFNASA-N 414.407 -2.896 0 1 HAAF biogenic,in-vitro Cn1c(=O)c2c(ncn2CCCN[C@@H]2CO[C@@H]3[C@@H](O[N+](=O)[O-])CO[C@@H]32)n(C)c1=O 39349381 XTEGRRHNMFDROI-LYIQGSDWSA-N 410.387 -1.844 0 1 HAAF biogenic O=C(O)[C@@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](OP)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1P 95618002 FHVDTGUDJYJELY-LHOISLIMSA-N 418.228 -3.515 0 1 HAAF in-man O=S(=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356307421 WVFKPISWLUJJIJ-YBFCQOOYSA-N 422.361 -5.570 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)[C@@H](O)C[C@]12O 2356479394 NQSPWJNPZSDSTK-ZQPPQPORSA-N 406.340 -4.103 0 1 HAAF Cc1c(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@@H](C)[C@@H]2O 2356485570 LRNTYOVTZADMMX-QXPGBOTASA-N 412.435 -1.288 0 1 HAAF CCCCc1ccc(N(C[C@@H](O)[C@H](O)[C@H](O)CO)C[C@@H](O)[C@H](O)[C@H](O)CO)cc1 653897433 PGAYPISAJYJHHY-YRYYUTHUSA-N 417.499 -2.014 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O 13551853 GFBCCYAUTYOZMC-GNFDWLABSA-N 404.094 -2.454 0 1 HAAF N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@H]1CN2C(=O)C[C@H]2O1 83922479 SAFJOTXIKNUGOJ-NGPUCUDASA-N 414.371 -4.481 0 1 HAAF in-vitro COC(=O)[C@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@H]12 238779917 PQZHRNHSIAKVKG-WYYMSRPMSA-N 404.368 -2.057 0 1 HAAF Cc1cn([C@H]2C[C@@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 31895659 MFFOUDZYFVDVOU-YRGRVCCFSA-N 417.382 -2.144 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 95626135 OQZAGOJJVQJMIE-WCSLNYIDSA-N 414.363 -1.080 0 1 HAAF in-man OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)O[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 255209194 FHLVHZWPBBNFQR-QRLCZKJOSA-N 414.360 -5.656 0 1 HAAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)O 587217261 ATEZUEVBIXVGCW-MWLCHTKSSA-N 402.371 -1.157 0 1 HAAF C[C@@H]1CC(=O)[C@H]2[C@@H](O)[C@@H]3[C@@H](CC=C[C@H]3O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H]2O1 2356332589 GIWJNVSEZIALFZ-AOSAYCKGSA-N 414.451 -1.509 0 1 HAAF O=C1CC[C@@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 2356442402 ATYNVCXMADLPJQ-ADDYZKHBSA-N 400.336 -1.383 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 64633804 ITPHOIFCAFNCLL-LVIVMJSQSA-N 422.276 -5.280 0 1 HAAF in-vitro CN(O)NCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O 2356819858 FFVMFYBQZCFBPR-VBTPRWGQSA-N 416.380 -5.590 0 1 HAAF CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCS(=O)(=O)O 199594953 PMOAFRAREIKFNX-IUCAKERBSA-N 411.389 -2.681 0 1 HAAF CC(=O)N[C@@H]1[C@H](COC[C@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O 238768295 KTZKZQQLGYEMEB-WPYSSCPQSA-N 411.360 -5.119 0 1 HAAF CCc1ccc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c2c1 587235196 GNLISTGQXLKCGD-DPIHELBLSA-N 409.439 -1.361 0 1 HAAF O[C@H]1O[C@H](c2cnnn2C[C@H]2O[C@@H](O)[C@H](O)[C@H]2O)[C@H](OCc2ccccc2)[C@H]1O 1857638789 SBCDATCMZRGWBD-UMCVGDSDSA-N 409.395 -1.947 0 1 HAAF O=C(N[C@@H]1CCCNC1=O)C1=C[C@H](NS(=O)(=O)c2cccs2)[C@H](O)[C@H](O)C1 2356435019 OFAVHYGLWHYKLT-CZXHOFHRSA-N 415.493 -1.158 0 1 HAAF CC(C)C[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356692708 IGUOAYLTQJLPPD-HBNTYKKESA-N 401.468 -2.447 0 1 HAAF CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39823657 SBSIKVMCCJUCBZ-GUBZILKMSA-N 419.508 -2.740 0 1 HAAF biogenic CC[C@H](C)[C@H](C(=O)OC)[C@@H](O)C(=O)N[C@H]1C[C@@H]1C[C@H](NC(=O)[C@H](C)N)C(=O)O 142516212 GZUZMJQLRANFIY-DDASBUEYSA-N 401.460 -1.006 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C(=O)O)C=C[C@@H]12 2356448168 QXLZMFXGMGPPHW-ISXZHIQNSA-N 402.352 -2.281 0 1 HAAF C[C@H](C=C[C@@H]1C(C)(C)C[C@@H](O)[C@@H](O)[C@@]1(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356653185 FKLUOSPYDPNATQ-WOTWKMCDSA-N 406.472 -1.734 0 1 HAAF CO[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356681631 AKEZYQDNPMFFCO-YQPWEIMNSA-N 416.423 -1.878 0 1 HAAF CC(=O)OC[C@@]12C[C@@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356683096 HDMCWFHTAHTHFU-DQNPEQTDSA-N 402.396 -2.151 0 1 HAAF COc1ccc(S(=O)(=O)N[C@@H](CCC(=O)NC(N)=O)C(=O)NC(N)=O)cc1 31897697 BIFRJYHHRCARRT-JTQLQIEISA-N 401.401 -1.488 0 1 HAAF CC(=O)N[C@H]1[C@@H](O)O[C@H](C(N)=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](NC=O)[C@H](O)[C@H]2O)[C@@H]1O 96095577 UQCCLACRXMIWFQ-KEQPFFDBSA-N 407.376 -4.979 0 1 HAAF in-vitro C[C@@H]1C(=O)O[C@@H]2C[C@@]34[C@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]12O 103622797 LMEHVEUFNRJAAV-LSKXENLBSA-N 424.402 -1.370 0 1 HAAF in-man CC1=C[C@@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H](CO)C(=O)[C@@H]2[C@](C)(O)C12CC2 2356764621 WHTLSLQCKFRZNC-WOURGQGFSA-N 414.451 -1.770 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356846177 OKWNRLSXOLFVKF-IIOIBCISSA-N 416.380 -5.590 0 1 HAAF CC(C)CCO[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 14590610 PPIXDGFHKZNFOD-KYTOLMOBSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O1 35270722 BKUSIKGSPSFQAC-LYFYHCNISA-N 412.188 -1.006 0 1 HAAF biogenic CC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@@H]32 257441983 IBIPGYWNOBGEMH-ZKPDINRCSA-N 414.363 -2.296 0 1 HAAF N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587224282 YTOREGALSFKYRJ-APPZFPTMSA-N 413.412 -1.486 0 1 HAAF C[C@]1(O)[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@]2(O)C[C@H]1O 2356384128 LHBCCROHKSSFLG-LZQJKYTBSA-N 408.356 -4.009 0 1 HAAF O=C(NC[C@@H]1O[C@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)[C@H](O)[C@H]1O)C1CC1 2356844090 CZJVDICIWYSBJV-PDWMJMLSSA-N 405.475 -1.301 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1[C@@H]1O[C@@H]1[C@]21O[C@H]1O 42876675 UXNDFLAYYHSFII-IJOMZQGCSA-N 418.351 -3.683 0 1 HAAF COc1ccc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c2n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c2cn(CCO)nn2)[C@@H]1O 103266625 KRPZYOWDAYZQJH-QYKUSJBESA-N 412.491 -2.028 0 1 HAAF O=c1ccn([C@@H]2O[C@H](CNCC3=Cc4cc(O)ccc4OC3)[C@@H](O)[C@H]2O)c(=O)[nH]1 61931304 DCXYMCKZLZYPNG-VDHUWJSZSA-N 403.391 -1.073 0 3 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 101842134 SQOJOAFXDQDRGF-AOKSFIOLSA-N 424.402 -1.370 0 3 HAAF NCC(=O)N1CCN(C(=O)c2cccc(F)c2)C[C@H]1C(=O)N[C@H]1CCCNC1=O 8299538 MKSSHMAOOOXREQ-GJZGRUSLSA-N 405.430 -1.168 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1[C@@H]1O[C@@H]1[C@]21O[C@@H]1O 42877299 UXNDFLAYYHSFII-HTUSKPHUSA-N 418.351 -3.683 0 1 HAAF N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 43285435 RYSDKXFWOGEMJS-YWKIKSNOSA-N 424.411 -6.416 0 1 HAAF O=C(NC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1N1CCN(C2=CC=C[CH]N2)CC1)N1CCOCC1 2356319431 GFMJDHOSXWTKFN-QFHJOOASSA-N 422.506 -1.702 0 1 HAAF OC[C@H]1O[C@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 14859215 VLAZYPZGDJXPDY-VQKHCMNNSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](OP(=O)(O)O)O2)cc1I 28968471 GOODZYFZEVBYLE-HBPOCXIASA-N 420.052 -1.144 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@]13[C@H]4OC(=O)[C@]1(O[C@@H]1OC(=O)[C@H](O)[C@@]13[C@H](C(C)(C)C)[C@@H]4O)[C@H]2O 44032152 HNHJADMVWISUGS-IIPPSBCBSA-N 424.402 -1.514 0 1 HAAF in-vivo C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](CCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 59589361 MSMRYTASZYWIJR-COAGKPRZSA-N 414.451 -1.687 0 1 HAAF biogenic,in-vitro C[C@]1(n2cnc3c(N)ncnc32)O[C@](C)([C@H](CO)P(=O)(O)O)[C@](C)(O)[C@]1(C)O 102181449 CVPFBFVGFOSKCW-ZDGSOLDXSA-N 417.359 -1.089 0 1 HAAF COc1cc(COC=CCO)cc(OC)c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c1ccc(O)cc1)OC[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 195497852 PADHSFRQMFRWLS-UCBRGTALSA-N 400.380 -1.874 0 1 HAAF CO[C@@H]1[C@H]2[C@](C)(O)[C@@H]3CC[C@@H]4[C@@H](O)[C@]3(C[C@@]4(C)O)[C@H](O)[C@@H](O)[C@]2(O)C(C)(C)[C@H]1O 1857550209 DEKLNPCWOYQSRU-LTPQAZSASA-N 416.511 -1.236 0 1 HAAF CC(=O)OC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12 2356444659 CZNFJYHDUOEVJW-NEUXBKAUSA-N 404.368 -1.869 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(C)O 2356431551 VIXATJMNFXMPDC-ZCCGGRGGSA-N 406.384 -3.036 0 1 HAAF Cc1cc2c(c(CO)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)[C@@H]2O 2356435871 QUCQWGWEDCGWFJ-QXPGBOTASA-N 412.435 -1.288 0 1 HAAF C=CC=CC(=O)N[C@H](C(=O)N[C@@H]1C[C@H](O)CCNC(=O)C=C[C@@H](C)NC1=O)[C@@H](C)O 2356463908 RFMLVNAGBNQIDH-DWJZYCCASA-N 422.482 -1.589 0 1 HAAF COC(=O)c1ccc2c(c1O)C(=O)[C@@H]1[C@](C)(O)[C@H]3OC(=O)C(=O)N[C@@]1(O2)[C@]3(C)O 2356523821 GPGWJDITQCQEAW-IKGUUIFCSA-N 407.331 -1.376 0 1 HAAF COc1cc(COC=CCO)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356669372 ZCDXFTYPYJCBBM-RIUYPTKQSA-N 402.396 -1.095 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@@H]12 2356741412 JTIRVAMILJQVBT-AZNAHCNTSA-N 404.368 -2.970 0 1 HAAF C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2([C@H]1O)[C@]1(O)[C@@]3(O)C[C@@](O)([C@H](C)CO)[C@@]41C 100781260 LIGPZBKBGCJTGC-IYTMFLBCSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O 263621168 WCCWBLFRGXINLH-RGDQZJQZSA-N 418.288 -3.199 0 1 HAAF in-vitro CCO[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C 2356408782 OYRNAQRKPVOICQ-UNENJMCHSA-N 406.428 -1.923 0 1 HAAF C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O 86031733 SGUOENJPMRQEMJ-QLUXCBQWSA-N 406.472 -1.589 0 1 HAAF in-man C[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356425743 KZJGQDHNEMBJJZ-GPVCGZTASA-N 416.423 -2.145 0 1 HAAF N[C@@H](CCC(=O)N[C@H](CS[C@@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)O 13451230 PWCIUOASSAHGHI-RNJXMRFFSA-N 423.400 -2.475 0 1 HAAF C/C(=C\c1ccc(O[C@@H]2O[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)c(O)c1)C(=O)NC(CO)CO 27618296 ARKHZDWDMHPUJB-SKGPSZHGSA-N 413.423 -1.529 0 1 HAAF Cn1nc2cc1CNCCNCCNCc1cc(n(C)n1)CNCCNCCNC2 84709618 WWKVXLRWSBRIPS-UHFFFAOYSA-N 418.594 -1.595 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1F 169342661 DQKWTOBKSULEKU-SCCKRLBHSA-N 422.084 -2.506 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)O[C@@H](O)C[C@@H]12 61967675 YTZSBJLNMIQROD-AFSRJJAPSA-N 406.384 -2.424 0 3 HAAF Nc1nc(=O)c2ncn([C@@H]3O[C@H](CNS(=O)(=O)c4cccnc4)[C@@H](O)[C@H]3O)c2[nH]1 199375680 BXRONPQKCCZXKD-IDTAVKCVSA-N 423.411 -2.306 0 3 HAAF NCCCN1CCN(CC(=O)O)CCN(CCCN)CCN(CC(=O)O)CC1 22039439 WWXSZLHRQUYCHA-UHFFFAOYSA-N 402.540 -1.925 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@H]1O 257419983 FUDXMJHOJWYSEJ-GHXJAXKWSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC[C@H](C)[C@H](N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)O 2356560633 YOTNPRLPIPHQSB-DGAVXFQQSA-N 415.539 -1.194 0 1 HAAF C[C@@H]1CN1C[C@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 40506238 ZFLQPYGPDPYNQY-IUNBMIGDSA-N 407.504 -1.798 0 1 HAAF CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48998489 VZCBWDDKSICCRV-XZBKTGBUSA-N 400.388 -2.901 0 1 HAAF O[C@H]1O[C@H](CO[C@@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827397 ILEPOIYJHJQWCK-IERWXTDSSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@@H](O)[C@]5(O)OC[C@]34[C@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 255260391 QASFGTPMWKRNSJ-IEGGGLJLSA-N 412.435 -1.812 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 257412453 FASIISXZAJLLSP-ASNWBKRASA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@@](O)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 257470751 LCIXUGGPLIEEGU-PPHPZCEFSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man Cc1c(F)ccc2c1[C@H]([C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)NCC2 962301421 RUBQIYFBSOFBFK-YXOLVTDUSA-N 417.430 -2.141 0 1 HAAF N=C1N[C@@H]2[C@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)[C@@]23N1 2356681091 GEQVLVSQKTUBFK-NHEJAXSNSA-N 411.353 -5.708 0 1 HAAF C=CC(=CNC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)C(=O)O)CO 2356747413 PYEDMQSECHECBB-WRBUKDQESA-N 406.388 -4.240 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85911526 LRRKTNFBBSNZEN-LDVOUVHRSA-N 418.439 -1.824 0 1 HAAF in-man C[C@H](N)C(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O[C@]1(CO)O[C@H](CO)[C@@H](O)[C@@H]1O 36471339 LJCFNEWFKJURHR-OMUBNVEISA-N 413.376 -5.498 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@]12O 2356611434 WUZGENDUAYSYJW-XITGSXQFSA-N 404.368 -3.116 0 1 HAAF CC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 2356647601 QVYMNCVNZVHQEC-WSTILBEISA-N 412.388 -4.190 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@@H](O)[C@]12O 137934225 LGTHGFVYOAZGBN-OFJHFJJLSA-N 422.383 -4.065 0 1 HAAF COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3cnn(C)c3)O[C@@H]2[C@@H]1O 2356312830 MHYBNCMAJFEWDY-WDTWZTHCSA-N 411.459 -1.342 0 1 HAAF O=Cc1cn([C@@H]2O[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)[C@H](O)[C@@H]2O)c(O)n1 2356593084 WTBZLHVWKJDNBL-NNXOGTOISA-N 401.328 -2.155 0 1 HAAF COc1ccc(C=CC(=O)OC[C@H](CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356690009 IPLHUSAZFXBRMO-SFGZTYNLSA-N 414.407 -1.571 0 1 HAAF CCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 13818947 QFSPXHGURMNPTE-ORXWAGORSA-N 404.387 -2.045 0 1 HAAF O=c1nc(O)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)CCP(=O)(O)O)[C@@H](O)[C@H]1O 1857589641 WCVSWDIGMLXOEO-PEBGCTIMSA-N 416.216 -2.052 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@@H](O)[C@H](C)[C@@H]23)[C@H]1O 2356593904 BCWFBSRSXRFEIL-NSSQIRAUSA-N 418.395 -1.668 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356730566 SCQIQCWLOMOEFP-AXFHLTTASA-N 402.452 -1.848 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14507240 LRRKTNFBBSNZEN-NJXHSVOZSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man CO[C@H]1C(=O)N2C(C(=O)N(C)[C@@H](C)C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12 27203860 WOXJCCNNBNVKFS-XOIJKARMSA-N 404.397 -1.653 0 1 HAAF C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C[C@@H](OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O 2356381366 KCRYZEAQGJXOJA-CDAMKDLUSA-N 416.376 -5.529 0 1 HAAF CCCCCC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356410074 AMVRNAAKLTUFDK-OSRMABRASA-N 410.416 -2.627 0 1 HAAF O=C(C=Cc1ccc(O)cc1)OC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356644461 HHNPREGNVCFCOP-CAJIMINQSA-N 400.380 -1.874 0 1 HAAF OCCCNc1nc(NC[C@@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 13834824 NUQUAHKGOQMJBA-YRGUDCOPSA-N 424.458 -1.177 0 1 HAAF NS(=O)(=O)c1ccc(NC(=S)N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(F)c1 28825899 GKFNQSJQCXICPM-LZQZFOIKSA-N 411.433 -2.441 0 1 HAAF O=C(O)[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)C1=O 62238932 BFQRXDLXCAJSSC-ZSLRXTFGSA-N 418.311 -4.727 0 1 HAAF biogenic CC(=O)O[C@@]1(C)C[C@@H](O)[C@@]2(O)CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 238778890 MHCXWIWUQQOZHP-JGHGHYCVSA-N 408.400 -3.017 0 1 HAAF CC(C)=C[C@@]1(O)C(=O)C(C)(C)[C@@H](O)C(C)(C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356330568 MADFHBUSPUXCHC-BVPXLALLSA-N 418.483 -1.135 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc1 2356441965 KDEYBHDVXAKYRU-APRDZNGDSA-N 414.407 -2.028 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2[C@H](OCc3ccccc3)OC[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356614973 QTQBCCQSMXVWNI-VBOIUUNXSA-N 402.396 -2.534 0 1 HAAF COC(=O)[C@@H](C)NC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1S(C)(=O)=O 25429150 XKYWIJPCGJKBKL-DGCLKSJQSA-N 404.489 -1.864 0 1 HAAF biogenic COc1ccc(C=CC(=O)OC[C@@H](O)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356673355 LENQPFHDGQUMMQ-OJWKOMPZSA-N 414.407 -1.571 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1C(=O)N(CCc1ccccc1)CC(N)=O 13778764 QMXYIEGAVKPOCQ-IAOVAPTHSA-N 404.423 -1.258 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1[C@H](O)[C@H](O)[C@@H]2C 254156493 QDEYKGKBMCIYCT-RJGKGTGTSA-N 406.384 -3.180 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@@H](O)[C@@H]12 2356640799 RIBQJGUEBPBXHM-KJZJZNBGSA-N 406.384 -3.178 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356751890 VXOJXCBBJWLAPR-FARGQAFFSA-N 416.423 -1.973 0 1 HAAF COC(=O)Cc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]c1=O 48015893 RWXSPKNHAJLKOR-PNHWDRBUSA-N 412.313 -1.650 0 1 HAAF in-vitro COC(=O)c1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(NS(C)(=O)=O)c1 198441534 SBBBFKWCROWIJJ-NLRWUALESA-N 407.397 -1.977 0 1 HAAF biogenic CO[C@H]1[C@H](O)[C@H](N)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN 238740980 BIDUPMYXGFNAEJ-SHUNSFQCSA-N 405.496 -3.585 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H]1O[C@@H]2[C@H](O)O1 256111943 PSTHWEAXBIXPRZ-KVCMUYLASA-N 420.367 -3.088 0 1 HAAF COc1ccc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c2c1 587235782 SWNQAJADTBJZGC-AIVZJVSBSA-N 411.411 -1.915 0 1 HAAF C[C@H](O)[C@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O 2356437700 CLEGSEJVGBYZBJ-KSYCFECVSA-N 410.471 -1.174 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O 2356492035 VBMPVWBQCYKQHM-SOLHUYMASA-N 416.423 -2.491 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)OC(=O)C[C@]12C 2356668249 IZFHVJKSJGLTCX-RFZWLULYSA-N 418.395 -1.826 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O 39828796 VSRCAOIHMGCIJK-SRVKXCTJSA-N 416.479 -1.668 0 1 HAAF biogenic CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 66259882 XPAUCTZKSHWPRS-IQKNWYLPSA-N 418.417 -4.691 0 1 HAAF CCCCCC(=O)OC[C@@H](CO)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O 653869582 ZYGJSXWUGHGSCU-WYSIXCFFSA-N 416.445 -1.817 0 1 HAAF N[C@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 27989476 RHUZQIJSAKZPDO-NCGNNJKGSA-N 419.109 -3.517 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85911524 LRRKTNFBBSNZEN-ZIDTVYEFSA-N 418.439 -1.824 0 1 HAAF in-man COCC(=O)N1CCN(C(C)=O)C[C@H]1C(=O)N[C@@H](Cc1cccnc1)C(=O)OC 25418702 FOVBNHIBIBYHAM-HOTGVXAUSA-N 406.439 -1.012 0 1 HAAF biogenic O=S(=O)(O)OC[C@H]1O[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O 33821344 GRHWGVDHRAZFMQ-PQMKYFCFSA-N 420.348 -3.740 0 1 HAAF in-vitro NCCOC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49089691 YKXHACQXQWHBNT-CKSRTXMFSA-N 417.375 -4.972 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@H]6O)O[C@]4(C(=O)O5)[C@@]12O 102598729 SQOJOAFXDQDRGF-BGEOFBDHSA-N 424.402 -1.370 0 1 HAAF COc1c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c2oc(=O)ccc2c1O 2356468626 KDWWYRPEBULRGU-UQDVTCHXSA-N 400.336 -1.306 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1F 169342664 DQKWTOBKSULEKU-SLWYWOEDSA-N 422.084 -2.506 0 1 HAAF CCC[C@@H]1C[C@@H](NC(=O)[C@@H]([C@H](C)O)[C@@H]2O[C@H]([S@@](C)=O)[C@@H](O)[C@H](O)[C@H]2O)N(C)C1 255254126 OKKCBNPDVFFQFL-ZVNRCOFTSA-N 422.544 -1.636 0 1 HAAF CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@@H](O)CC[C@@](C)(O)[C@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356465913 LMIQUJRQXXTHNG-UEYYBOALSA-N 420.499 -1.654 0 1 HAAF CC(=O)N(CC(=O)O)[C@H](C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O 26394769 LHQMUBQLSPLSIO-GSHKPOEJSA-N 408.360 -4.279 0 1 HAAF CCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O 40874938 GXOBHKKTSCCSQP-HFTJKPBSSA-N 416.431 -1.571 0 1 HAAF O=c1[nH]c(=O)n(Cc2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1Br 95561305 VFTYRMOIBFPROE-TURQNECASA-N 404.177 -2.450 0 1 HAAF O=C(O)CC[C@H](NS(=O)(=O)NC[C@H](NC(=O)c1ccccc1)C(=O)O)C(=O)O 169697264 PNKCSWSGMMWLRI-QWRGUYRKSA-N 417.396 -1.388 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@H]1O 257419985 FUDXMJHOJWYSEJ-SRDJRGDXSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@H](O)C=C[C@]1(O)[C@H](C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356316097 DADZWQMIHPKXIG-CGYXHJMDSA-N 406.472 -1.734 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@H](O)[C@@]12O 2356607119 QFXBACSTYFPXFG-LQHFKIJXSA-N 422.383 -4.064 0 1 HAAF N[C@@H]1[C@H](O[P@@](=O)(O)OP(=O)(O)O)[C@@H](CO)O[C@H]1n1ccc(=O)[nH]c1=O 35033749 MUUBRBPEKPCERQ-XVFCMESISA-N 403.177 -2.652 0 1 HAAF COC(=O)CCNC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49017142 SRZHCVOVVUKPTC-YPKZDWGUSA-N 411.371 -2.789 0 1 HAAF O=c1[nH]c(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O2)cc1CO 59065652 JEXKSGKPLHRGPO-FXQIFTODSA-N 418.188 -2.096 0 1 HAAF in-vitro,metabolite CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O 84705181 FPMINOYRMCNUPV-SNJDBZCJSA-N 417.459 -1.329 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356752957 ITPHOIFCAFNCLL-NPZMCKOISA-N 422.276 -5.280 0 1 HAAF Cn1c(O)c(C(c2ccc(O)cc2)c2c(O)n(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O 299835015 UYNJAFVICCZKEO-UHFFFAOYSA-N 416.390 -1.222 0 1 HAAF NC(=O)CCC(=O)Nc1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@H]2O)c1N 2356313733 VDSCQGGPSPZSLA-CEEXSVCUSA-N 409.292 -2.602 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 12502049 LABSPYBHMPDTEL-XZOWFFSXSA-N 422.276 -5.280 0 1 HAAF Nc1cn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O 45498215 PKHBMMMAMVMRGN-UAKXSSHOSA-N 419.176 -3.036 0 1 HAAF COc1cc(C=CCO)ccc1O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356384327 PGJYVMDPNVGNPV-QTYFOHBRSA-N 416.423 -1.743 0 1 HAAF N[C@@H]1[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O 2356646667 LOPKUYZFWDPPJT-YNZTYYNTSA-N 421.292 -5.927 0 1 HAAF O=C(Cn1cc(CCCO)nn1)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 64550049 ZYOLWWQBGMXOGA-HFTJKPBSSA-N 416.387 -3.870 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)N[C@@H](C)C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 95597235 JOEFOICMZVPIMX-VGMNNNIBSA-N 403.392 -4.071 0 1 HAAF O=c1[nH]c(=O)n([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)cc1F 17354006 FOZCNVFQOJRHFF-FUYZFFOTSA-N 422.151 -2.479 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)CCO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 199789634 MHCXWIWUQQOZHP-XBDCZORHSA-N 408.400 -3.017 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O 2356852045 QMQWLEMWUQZSHH-MYBUGEPTSA-N 406.365 -1.424 0 1 HAAF CNC[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@@H](O)[C@@H](N(C)C(=O)CNC=N)[C@@H](OC)C[C@H]2N)O1 33874130 FBYTVIISAJWXNX-NTFDUCEASA-N 416.523 -2.446 0 1 HAAF biogenic NC(=O)c1ccc[n+](C[C@@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)N2CCC[C@@H]2C(N)=O)c1 169718437 FSAYHTLBOLVRDW-MGPQQGTHSA-O 417.446 -2.687 0 1 HAAF C[C@H](O)[C@H](N)C(=O)[C@]1(O)[C@H](O)[C@@H](CO)O[C@@]1(C(N)=O)n1cnc2c(N)ncnc21 2356805569 ACSCITMNVKPXFS-ZVAPXFHCSA-N 411.375 -4.693 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H](C)O[C@H](OC)C[C@@H]12 95889733 IZODPOCIKVLNIL-KEVJZTPESA-N 420.411 -1.770 0 1 HAAF C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C[C@H](OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O 255222343 KCRYZEAQGJXOJA-GELVDJTCSA-N 416.376 -5.529 0 1 HAAF CC=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 2356592806 KYVUMEGNMQDSHO-BBGLXCLISA-N 418.395 -1.658 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 12502053 LABSPYBHMPDTEL-KMQQOYQLSA-N 422.276 -5.280 0 1 HAAF C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](OCCCCCN)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 205842560 CAEDWHXKVRBMQP-NXJBRFCESA-N 411.448 -3.216 0 1 HAAF in-vitro O=P(O)(O)O[C@H]1C[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O 27896868 GFBCCYAUTYOZMC-RUTHBDMASA-N 404.094 -2.454 0 1 HAAF C[C@H](NC(=O)CN1C(=O)CC[C@H](NC(=O)[C@@H](N)Cc2ccccc2)C1=O)C(=O)O 58568520 STOPHONVTFVVIO-UBHSHLNASA-N 404.423 -1.221 0 1 HAAF C[C@H]1SC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 11616830 RSHMQGIMHQPMEB-LPTSXCQYSA-N 408.484 -1.467 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(O)CO 13660242 XJMPAUZQVRGFRE-WBIMUJIZSA-N 404.368 -3.258 0 1 HAAF C[C@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 238751295 MZHBYHJOWQQUIV-RUPKRFCASA-N 416.423 -2.145 0 1 HAAF O=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@@H]2O)cc1 2356478243 WNBIKNLJJFCZAQ-KJPHPDOHSA-N 416.379 -2.857 0 1 HAAF N=c1nc(O)c2nc([C@H](O)[C@@H](O)CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cnc2[nH]1 2356680212 ZOUNAJWXLVYCLF-IFSJQBPNSA-N 415.359 -4.251 0 1 HAAF NC(=O)[C@H](CC(=O)O)NC(=O)C1=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](O)[C@@H](O)C1 2356835829 KUNULXMIJQHNHK-ABHRYQDASA-N 424.385 -1.188 0 1 HAAF COC(=O)[C@H](CC(C)C)NC(=O)/C=C/[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 95605134 VAXXKOSSYQTSTC-XNVOUCPOSA-N 411.411 -1.584 0 3 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC=C(C(=O)O)[C@H]1CC(=O)OC 59587064 JMQHOGABGMTPGK-FMTMRQKPSA-N 404.412 -1.208 0 1 HAAF biogenic,in-vitro CN1CC[C@@H](CC(=O)N[C@@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)N=C1N 78067329 NXYZPLILSHUEBR-PJQZNRQZSA-N 405.415 -1.743 0 1 HAAF in-vitro C[C@@H]1O[C@]2(C[C@@H]3N4C(=O)[C@@]5(CO)S[C@@]4(C[C@]3(O)[C@@H]2O)C(=O)N5C)C(=O)C1(C)C 2356693015 ULBJGCQGFOPTBQ-XGSBESCHSA-N 412.464 -1.561 0 1 HAAF CSCC[C@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 15261469 OGZNUDJBIAOLAA-BBBLOLIVSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man B[P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O 299822272 LYBDVUVBAVYGMN-APIOZJFQSA-N 423.024 -2.105 0 1 HAAF COc1cc2c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1OC)CCN(C)[C@H]2CO 2356698017 ANLAXYVKKILUOM-RCWNTCCLSA-N 415.439 -1.596 0 1 HAAF CN1CCC(NC[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2N2CCN(C3=CC=C[CH]N3)CC2)CC1 2356834956 WLFAKYZZAYIJGB-ZSXPUABSSA-N 406.551 -1.060 0 1 HAAF NCC(=O)N1CCN(C(=O)NC2CCCCC2)C[C@H]1C(=O)N[C@H]1CCCNC1=O 12605075 ZZBDURJSCRWGAQ-GJZGRUSLSA-N 408.503 -1.105 0 1 HAAF biogenic N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CN)[C@@H](O)[C@H](O)[C@H]1N 14949052 MUSBFBILRXCFJV-HKEUSBCWSA-N 406.444 -6.067 0 1 HAAF Cn1cnc2c1c(=O)n(CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)c(=O)n2C 34603662 PXFLHKVXISJBOA-UHFFFAOYSA-N 414.426 -1.339 0 1 HAAF OC[C@H](O)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 49807541 CPJPQXHWHOMKBP-ZBUDVMGBSA-N 416.376 -6.020 0 1 HAAF NS(=O)(=O)Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1 95557518 YKZLIHOGXWATHR-UHFFFAOYSA-N 414.472 -1.398 0 1 HAAF CC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 238780266 GJCLXUNGVGZROH-IHSYADGBSA-N 416.379 -1.747 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 587616607 KWUSOKWHHHTOJV-DJMZLJHLSA-N 422.386 -1.481 0 1 HAAF C[C@@H]1C[N@]1C[C@H](O)C[C@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO 1857534082 ZFLQPYGPDPYNQY-SGWZHLPASA-N 407.504 -1.798 0 1 HAAF CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O 263621166 WCCWBLFRGXINLH-IKRGOOTDSA-N 418.288 -3.199 0 1 HAAF in-vitro CC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O 2356647596 QVYMNCVNZVHQEC-BZDAWYSESA-N 412.388 -4.190 0 1 HAAF CC[C@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49113591 VZCBWDDKSICCRV-ZSUPPLBVSA-N 400.388 -2.901 0 1 HAAF N=c1c(O)c(O)/c1=N\CCC[C@H](N)COC(=O)N[C@@H](CCCCN)COC(N)=O 28523917 BKZPFMLMIDIMAC-AMZIRKIFSA-N 414.463 -1.220 0 1 HAAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H]([C@H](C)OS(=O)(=O)O)[C@H]2C1 238736043 ODUQOQWOWRYNEC-AJMMTGQSSA-N 410.426 -1.394 0 1 HAAF CC(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](O)CC[C@](C)(O)[C@H]2[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255226891 LMIQUJRQXXTHNG-FROOCLRBSA-N 420.499 -1.654 0 1 HAAF NS(=O)(=O)OCCCCCCNS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 299839539 YNSHHLCOQBAAJA-ZIQFBCGOSA-N 422.478 -3.514 0 1 HAAF N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)O 587219323 KGMISGOXBQEIHG-PSASIEDQSA-N 413.412 -1.486 0 1 HAAF CSCC[C@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)O 39805211 ZXGLLNZQSBLQLT-GRYCIOLGSA-N 405.521 -1.485 0 1 HAAF biogenic NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1NC(=S)NC(=O)c1ccccc1 299814172 MIUNBHQVJPEDHM-HNNUMXFLSA-N 421.435 -1.280 0 1 HAAF N[C@@H](CCC(=O)O)C(=O)N[C@@H](CSCC(=O)N1CC(=O)C1)C(=O)NCC(=O)O 299853657 OASQMULVERCJOP-UWVGGRQHSA-N 418.428 -2.991 0 1 HAAF NC(=O)C=C(NC(=O)CNC(=O)[C@H](O)CO)C(=O)N[C@@H]1CN(S(=O)(=O)O)C1=O 2356394437 CFFFTCICFURLIB-RNFRBKRXSA-N 423.360 -5.929 0 1 HAAF CC1=CCO[C@@H]1NC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O 2356436571 QRYALAVQOARQPI-LFGQUEPHSA-N 406.388 -4.000 0 1 HAAF C[C@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356755995 LCIXUGGPLIEEGU-HHZBTGACSA-N 424.402 -1.336 0 1 HAAF C[C@H](O)C=C[C@@]1(O)C(C)(C)[C@@H](O)CC[C@@]1(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356760444 KHIQEGWMYKWUIK-IEUTVHCASA-N 406.472 -1.589 0 1 HAAF N=c1c(O)c(O)/c1=N\CCC[C@H](N)COC(=O)N[C@H](CCCCN)COC(N)=O 28523918 BKZPFMLMIDIMAC-YXWWFCAQSA-N 414.463 -1.220 0 1 HAAF CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1CC[C@@]2(CO)[C@H](O)CCC(=O)[C@@H]2C1 95910056 SGQGOVXPGVVLHY-HKOZUNCASA-N 418.483 -1.300 0 1 HAAF biogenic,in-vitro OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 100827403 FASIISXZAJLLSP-ZMBMECHMSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H]1[C@H](O)[C@]2(O)CO[C@H]([C@H]2O)N1O 100878129 JOBDOAKLPNMGKV-BELQUGFPSA-N 413.383 -3.286 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34[C@H]5C[C@H]6C(C)(C)C[C@@]7(O)C(=O)O[C@@H](O[C@@]3(C(=O)O5)[C@@]12O)[C@@]674 103031620 HGGXJKQDNBXKTC-LQEUQBHWSA-N 422.386 -1.616 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 199693525 LABSPYBHMPDTEL-CLPNCLFTSA-N 422.276 -5.280 0 1 HAAF NC(=O)C=C(NC(=O)CNC(=O)[C@@H](O)CO)C(=O)N[C@@H]1CN(S(=O)(=O)O)C1=O 2356394438 CFFFTCICFURLIB-RQJHMYQMSA-N 423.360 -5.929 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1CC(=O)O 2356399794 GXXBBPZLNJMTDC-SRRGIFPFSA-N 420.367 -2.774 0 1 HAAF NS(=O)(=O)OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 66157224 HVJNDQGZUPKSQO-QUYVBRFLSA-N 421.377 -6.169 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 257411981 DZMYOBBWRZTUTA-VSDVARSQSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man COc1cc([C@H]2OC[C@@H]3[C@H]2CO[C@@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356347319 GGKZZQZVFIZFKS-BUVVBORASA-N 414.407 -1.123 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c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c3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356735276 LSQQDUHRCLZVLW-QDRMNVNKSA-N 418.395 -2.826 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](O)[C@@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O 64633709 WXRMULXJDGUOQT-YIHIRPBVSA-N 423.459 -2.139 0 1 HAAF in-vitro OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356487707 JDGKZYSACWLQKT-HXUCXHOSSA-N 416.423 -2.491 0 1 HAAF NCCC[C@H](N)CC(=O)NCCC[C@@H](N)CC(=O)NCCC[C@@H](N)CC(=O)O 2356678040 POCPKVLNHOLZGM-RRFJBIMHSA-N 402.540 -1.245 0 1 HAAF CO[C@H]1[C@H](O)[C@@H](O[C@H](C)[C@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)O[C@H](CO)[C@@H]1O 2356716016 ZQLTUOZZFIPZMO-KZJFOUCUSA-N 413.387 -2.570 0 1 HAAF CC(=O)O[C@]1(C)C[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 82123195 CAFTUQNGDROXEZ-YDTARVLPSA-N 406.384 -2.893 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O 95607779 KDKROYXEHCYLJQ-YQWCFHKWSA-N 424.402 -1.514 0 1 HAAF COC(=O)CCN(C)C(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 26572782 WQNRYVUZROCXSG-XJKSGUPXSA-N 418.424 -1.563 0 1 HAAF C[C@](O)(CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334906 LCIXUGGPLIEEGU-FSTJLPEUSA-N 424.402 -1.336 0 1 HAAF in-man CN(CC[C@@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)C(=N)N 17175874 CXNPLSGKWMLZPZ-JYILRKAJSA-N 422.446 -2.219 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CO)C(C)C)C(=O)N[C@@H](CO)C(=O)O 29555410 PNQFDOGYLBDKLK-CYDGBPFRSA-N 404.464 -2.461 0 1 HAAF COc1cc([C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)CO)cc(OC)c1O 2356339936 BWTUJFUIJMARGG-VRTHFHNESA-N 406.384 -2.380 0 1 HAAF COC(=O)C1=CO[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@@H]12 2356405246 MPBVSPYCMJLBGG-JRNARYDESA-N 420.411 -2.382 0 1 HAAF C[C@H](NC(=O)[C@@H](N)CC[S@@](C)(=O)=NP(=O)(O)O)C(=O)N[C@H](C)C(=O)O 14653643 BLHBHYHQDXRTCR-MGTDUJKNSA-N 402.366 -2.012 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)NC(=O)[C@@H](N)CO)[C@@H](O)[C@H]1O 299860780 HCAGNYKXFWVMDZ-YTMOPEAISA-N 417.404 -4.207 0 1 HAAF COC(=O)[C@@H]1CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356424165 PQZHRNHSIAKVKG-OYXVPDAGSA-N 404.368 -2.057 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C 2356471265 MQSFSEGMDJUVRU-VIHUNKPMSA-N 404.412 -1.761 0 1 HAAF Cc1c(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@H](C)[C@@H]2O 2356485573 LRNTYOVTZADMMX-XCWYZVQWSA-N 412.435 -1.288 0 1 HAAF C[C@H]1[C@H]2CN[C@H]3N[C@@H]([C@H](O)c4cc(O)nc(O)n4)C[C@@H](C[C@H]1OS(=O)(=O)O)N32 2356834199 KMDOTOMOSCRTQE-IWHHDXGFSA-N 417.444 -1.563 0 1 HAAF O=c1[nH]cnc2c1ncn2[C@H]1C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O1 29545444 PKFIQIJKQDYQCN-RRKCRQDMSA-N 412.188 -1.006 0 1 HAAF CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 66075849 ALSWIEBYEVFVGS-CBHUJMPHSA-N 418.458 -1.256 0 1 HAAF CC(C)[C@H](NC(=O)C[C@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O 84726079 OIEULKNNPCSEER-XKXSWVQISA-N 417.459 -1.329 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 86005495 ILEPOIYJHJQWCK-DWAKTYFESA-N 414.360 -5.656 0 1 HAAF in-man Cc1cn([C@@H]2C[C@@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O 100053979 RDVUSEMLHAXQRK-JMCWECBISA-N 417.371 -3.219 0 1 HAAF world N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@@H]1CN2C(=O)C[C@@H]2O1 238782437 SAFJOTXIKNUGOJ-PLNVNYQDSA-N 414.371 -4.481 0 1 HAAF CC(=O)OC[C@]12O[C@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 299871450 YOOQXBIEVFLKNS-NQSZKFQGSA-N 404.368 -3.020 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356437200 KPUSIQDGYABESP-FLMXYZAGSA-N 420.411 -2.503 0 1 HAAF CN[C@@H]1[C@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@H]2N)[C@]1(O)NC(C)=O 2356535825 AZMAMVNEQRREQB-LTMGLSOTSA-N 403.480 -3.194 0 1 HAAF Oc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356572769 NOUKECIOLFROLB-NZFSCAFSSA-N 404.368 -2.966 0 1 HAAF CC(C)C[C@@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 14417873 DCPWYLSPIAHJFU-YUBHHTAFSA-N 423.466 -1.071 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)cc1 14829581 DZMYOBBWRZTUTA-AZVBSYJQSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man C[C@]1([C@@H](CO)P(=O)(O)O)O[C@](C)(n2cnc3c(N)ncnc32)[C@@](C)(O)[C@]1(C)O 95535558 CVPFBFVGFOSKCW-LPCRZITISA-N 417.359 -1.089 0 1 HAAF O=P(O)(O)O[C@@H]1[C@H](OP(=O)(O)O)[C@@H](O)C[C@@H](OP(=O)(O)O)[C@H]1O 169342882 GHYKQXTYUPPQMF-BSQWINAVSA-N 404.094 -2.454 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O 238760106 UPOHPVGZYHVGEA-GGHVOWDZSA-N 402.396 -2.532 0 1 HAAF C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 238767745 YIAQIGPDWXVEJQ-KIDDTXTQSA-N 406.472 -1.732 0 1 HAAF CCO[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C(=O)O[C@@H]1[C@@H](O)C=C(C)C 2356408781 OYRNAQRKPVOICQ-PMQMOYSKSA-N 406.428 -1.923 0 1 HAAF O=C1OC[C@@]2(O)CO[C@@H](O[C@H]3[C@@H](O)[C@@H](O)CO[C@@H]3Oc3ccc(O)c1c3)[C@H]2O 2356617634 KZFNTLYLMIGDHI-OLAILOPQSA-N 400.336 -2.147 0 1 HAAF CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](CCS(C)(=O)=O)C(N)=O)C[C@H](O)[C@@H]1O 2356315439 ZVIDJVABGIZNEE-FVCCEPFGSA-N 420.488 -2.479 0 1 HAAF C[C@](O)(COc1ccc(C=CC(=O)OC[C@@H](O)[C@@](C)(O)CO)cc1O)[C@@H](O)CO 2356394708 GTNFLOUXEFGGSM-NBMJBFSESA-N 416.423 -1.464 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@H](OP(=O)(O)O)C[C@H]1OP(=O)(O)O 40737198 GFBCCYAUTYOZMC-DGPNFKTASA-N 404.094 -2.454 0 1 HAAF C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)C=C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356565494 YIAQIGPDWXVEJQ-HLLXCKEBSA-N 406.472 -1.732 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)[C@@H](O)[C@H]2O)n1 199715977 RJEXGURGLFTEIV-MOROJQBDSA-N 417.426 -2.264 0 3 HAAF NC(=O)CCC(=O)Nc1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)c1N 33529677 VDSCQGGPSPZSLA-RULCWPDDSA-N 409.292 -2.602 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]2(O)[C@H](C)CC(=O)[C@]12O 2356384261 NCWNKJPLFYBFLX-YHXNRQAHSA-N 420.367 -3.713 0 1 HAAF CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O 2356529321 BOPNBEMHPYANDR-IRJSHOKASA-N 402.352 -1.738 0 1 HAAF NC(=O)[C@@]1(n2cc(-c3ccc4ccccc4c3)nn2)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 45373657 HKEJAYVVICGLBF-ILYVXUQDSA-N 400.391 -1.290 0 1 HAAF CCCOCCCCCCn1cc(CN[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)nn1 101345272 FLUOEQUIGPEGGG-WKTMMLQWSA-N 402.492 -1.459 0 1 HAAF Cc1cn([C@@H]2C[C@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]3O)O2)c(=O)nc1O 261494634 RDVUSEMLHAXQRK-QWFFAJDNSA-N 417.371 -3.219 0 1 HAAF world C[C@](O)(CO[C@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO 2356392986 WEDHAYWWGPSQDM-YLXJOAKESA-N 418.395 -2.523 0 1 HAAF OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 238750063 VBMPVWBQCYKQHM-IBEZVECFSA-N 416.423 -2.491 0 1 HAAF CC(C)[C@@]1(O)[C@@H](O)[C@H]2[C@]3(CO)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@]14C 2356368249 NJYHRMCKTLWXTE-PNMOOMRKSA-N 400.468 -1.523 0 1 HAAF COC(=O)C1=C(C)O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C 2356382268 UTICNCXLSLMBGF-RZAGPQHYSA-N 404.412 -1.761 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356567031 DWYFWLYCTOAXKY-CXDVWMJXSA-N 416.423 -2.491 0 1 HAAF O=P(O)(O)O[C@@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1O 27759857 GHYKQXTYUPPQMF-QZABAPFNSA-N 404.094 -2.454 0 1 HAAF N[C@@H](CCC(=O)N[C@H](CNCC(=O)O)CSCCN1C(=O)C=CC1=O)C(=O)O 84403297 TXRKDNOJTOUSNJ-MNOVXSKESA-N 416.456 -2.004 0 1 HAAF Cc1cn([C@H]2C[C@@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O 100053983 RDVUSEMLHAXQRK-JRRCRCLDSA-N 417.371 -3.219 0 1 HAAF world C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 257540789 SGUOENJPMRQEMJ-RJVFUNQWSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@H]12 2356405245 MPBVSPYCMJLBGG-CLMRGEKTSA-N 420.411 -2.382 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C 2356471262 MQSFSEGMDJUVRU-CSQHZXHGSA-N 404.412 -1.761 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)N2CCC(C(=O)O)CC2)O[C@H]1[C@H](O)[C@H](O)CO 95593446 ICMSQBMEPIBUCO-PWRGDLIESA-N 401.416 -2.862 0 1 HAAF OCCCc1ccc(O[C@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356563272 VFCCWDAKRDTVDJ-PMMWMJBOSA-N 404.412 -2.127 0 1 HAAF C[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356854347 RNTVODVKVMKBPF-IZXQJAEISA-N 408.356 -4.154 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]56[C@H](C(C)(C)C)[C@H](O)[C@H](OC3=O)[C@]64[C@@H]12 44032154 HNHJADMVWISUGS-FFXJWROWSA-N 424.402 -1.514 0 1 HAAF in-vivo CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356709612 MHCXWIWUQQOZHP-JUPJBBGISA-N 408.400 -3.017 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2[C@@H]3[C@]1(O)O[C@]14C(=O)N(C)C5=CC=C[C@H](C[C@H](C2(C)C)[C@]31O)[C@H]54 2356717096 GUZVDQAQJRGKEH-JWFWGYJZSA-N 416.430 -1.324 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49017258 SFEJDVWRGQKIIY-QIDLLAIKSA-N 408.152 -1.477 0 1 HAAF OC[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238738934 SKUMUKAMXQEGMM-SWUSOJFKSA-N 402.396 -2.534 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OC=C3CCC4CC3C4)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356373113 SBEAYYBOUQWTHI-WGBIJZBXSA-N 418.439 -2.030 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356397066 FPMURYWLAWHLRF-OPOKVYTHSA-N 404.368 -2.964 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)CC(=O)[C@@]12O 2356423219 RDRJMXSIBSPVSQ-ZOORQHHISA-N 420.367 -3.855 0 1 HAAF CC(C)NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27621917 HUBZSIXTMNNPKC-YDBCPLSKSA-N 417.415 -3.383 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@@H](O)[C@@]12O 40872471 WUZGENDUAYSYJW-GCMSAENLSA-N 404.368 -3.116 0 1 HAAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49113589 VZCBWDDKSICCRV-LTKLARNDSA-N 400.388 -2.901 0 1 HAAF O[C@@H]1[C@@H](OC[C@@H]2O[C@H](O[C@@H]3[C@H](O)CO[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O 257528870 RBNRMSRJWILJMU-QTUZZHILSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OP)O[C@H]2C(=O)O)[C@H](O)[C@H](O)[C@@H]1P 261495866 FHVDTGUDJYJELY-GEZXFRRNSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H]1O[C@H](O)[C@H]2O1 2356451733 PSTHWEAXBIXPRZ-ZUWRZZDISA-N 420.367 -3.088 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@@H]3[C@H]4O[C@@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@@H]5O4)[C@H]1[C@H]32 2356593369 IMYNUOFRENGSJB-FEEIOQFMSA-N 414.363 -2.200 0 1 HAAF COC(=O)C1=CO[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@H]12 238788223 MPBVSPYCMJLBGG-MNZFGSMTSA-N 420.411 -2.382 0 1 HAAF CC(=O)O[C@H]1CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@@H]12 2356360814 OUZVTXNZEYSSSQ-OKUOUJFQSA-N 404.412 -1.535 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 86030267 KYVUMEGNMQDSHO-OOSIJKBXSA-N 418.395 -1.658 0 1 HAAF in-man CC(C)C(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@@H](O)[C@@H]1O 2356294386 OVABDVAACOIYJV-DTZQCDIJSA-N 415.516 -1.609 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](OC)[C@H]12 2356384760 XJZRHAMUBWIJEV-OYBUGSLRSA-N 418.395 -2.604 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@]2(O)CO 2356530418 DPORNVNPTRLCKZ-AESKPNRLSA-N 422.383 -4.064 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356575861 DKSFGHQZRXXSTP-ABWDLKMYSA-N 402.352 -2.137 0 1 HAAF CCCCOC(=O)[C@@H](O)Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356688245 SUGOCCUAKZVLFE-QZFZTSDASA-N 416.423 -1.182 0 1 HAAF C[C@@H]1CN1C[C@H](O)C[C@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO 253637129 ZFLQPYGPDPYNQY-PFTUIIQGSA-N 407.504 -1.798 0 1 HAAF CC(=O)O[C@H]1CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12 2356360813 OUZVTXNZEYSSSQ-MDNZMRAYSA-N 404.412 -1.535 0 1 HAAF C[C@@H](O)C=C[C@]1(O)[C@]2(C)CO[C@@]1(C)C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2 2356440311 WLKZBLXGVRKFFG-ASDSREAFSA-N 404.456 -1.571 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C(=O)OC)CC[C@@H]12 2356465242 KVSFLKZCIIGPEC-QXZYMXJSSA-N 418.395 -1.969 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 2356478732 PIFFAIMSAYMMCE-QVRRNWQZSA-N 418.395 -2.868 0 1 HAAF NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 49113805 GQMYXUSHBXLGED-LBELIVKGSA-N 412.442 -3.447 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C(=O)O)C=C[C@@H]12 685935877 QXLZMFXGMGPPHW-OGGNYZGXSA-N 402.352 -2.281 0 1 HAAF biogenic,in-vitro O=P(O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1O 13863900 MMWCIQZXVOZEGG-WZWPATEWSA-N 420.093 -3.484 0 1 HAAF in-vivo O=C(O)[C@H]1O[C@H](OP)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@H](P)[C@@H](O)[C@@H]1O 100772456 FHVDTGUDJYJELY-HYZUKYDZSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man C[C@H]1C(=O)O[C@H]2C[C@@]34[C@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O 103622794 LMEHVEUFNRJAAV-UHPPGGIDSA-N 424.402 -1.370 0 1 HAAF in-man CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O 263614271 FJGXDMQHNYEUHI-QELKQAQVSA-N 424.403 -5.110 0 1 HAAF in-vitro Cc1ccc2c(S(=O)(=O)NCCN)cc(S(=O)(=O)NCCN)c(O)c2n1 299837789 KUWFMTCCHVPXJP-UHFFFAOYSA-N 403.486 -1.277 0 1 HAAF COC(=O)C[C@H](O)[C@H](C)CC=CC=C(C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356398177 MYZLBXWHUBXEBR-LXQNUXNJSA-N 418.439 -1.218 0 1 HAAF COC[C@H]1O[C@H](O[C@@H](C)[C@@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)[C@@H](O)[C@H](O)[C@H]1O 2356715012 CARGJJGBCUDXAL-BORJBZHRSA-N 413.387 -2.570 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1CC(=O)[C@@]2(O)CO 2356810504 AYKQDKNGVRPOSI-HBXAMSACSA-N 406.340 -3.944 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)C[C@H](N)C(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 5441768 LNIUBVSXHPTWQQ-DLYIQGBQSA-N 423.466 -1.071 0 1 HAAF biogenic COC(=O)[C@@]1(O)C(OC)=C(C2=C(OC)[C@@](O)(C(=O)OC)N(C)C2=O)C(=O)N1C 14558556 VWULKWWBQVWDNQ-IYBDPMFKSA-N 400.340 -2.545 0 1 HAAF biogenic O=C(N[C@@H]1CCCNC1=O)C1=C[C@H](NS(=O)(=O)c2cccs2)[C@@H](O)[C@H](O)C1 36354270 OFAVHYGLWHYKLT-GFQSEFKGSA-N 415.493 -1.158 0 1 HAAF biogenic CC(C)[C@@]1(O)[C@@H](O)[C@@]2(O)[C@@]3(C)C[C@]4(O)O[C@@]5([C@H](O)[C@@H](C)CC[C@]35O)[C@@]2(O)[C@]41C 100665598 POSDEVOSMOCDHR-AGRCMGMNSA-N 400.468 -1.380 0 1 HAAF O[C@@H]1O[C@H](Cn2nncc2[C@H]2O[C@@H](O)[C@H](O)[C@H]2OCc2ccccc2)[C@H](O)[C@H]1O 1857638787 SBCDATCMZRGWBD-BCOHLGCSSA-N 409.395 -1.947 0 1 HAAF C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)C[C@@H](OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O 2356381369 KCRYZEAQGJXOJA-KJSAQMMCSA-N 416.376 -5.529 0 1 HAAF CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=O)CSCC(=O)O)[C@@H](O)[C@H](O)C1)C(N)=O 2356828939 IMOZYBHUDFVJQE-UUIJZJDISA-N 417.484 -1.643 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1OS(=O)(=O)O 2356852044 QMQWLEMWUQZSHH-HUGQBSPZSA-N 406.365 -1.424 0 1 HAAF OCCCNc1nc(NC[C@H]2CCCO2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 13834825 NUQUAHKGOQMJBA-RSUGUSAISA-N 424.458 -1.177 0 1 HAAF COCCOCCOCCO[C@@H]1[C@H](O)[C@@H](CO)C[C@H]1n1cc(C)c(=O)[nH]c1=O 27442702 HYRVPJIIPARMPV-FPCVCCKLSA-N 402.444 -1.176 0 1 HAAF C[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356634600 KGDOTJVAFOIYCT-WXEAJYFVSA-N 416.423 -2.145 0 1 HAAF CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O 39831907 WOZDCBHUGJVJPL-AVGNSLFASA-N 401.512 -1.584 0 1 HAAF biogenic N=C(N)NCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CCCCN)C(N)=O 40980741 JLFCHXYGNJFKGZ-DCAQKATOSA-N 416.483 -3.364 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 86030269 KYVUMEGNMQDSHO-QVFSIINASA-N 418.395 -1.658 0 1 HAAF in-man O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 109564292 LABSPYBHMPDTEL-GOSZKSRXSA-N 422.276 -5.280 0 1 HAAF NCCCCNC(=O)C=Cc1ccc(O)c(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356608838 VPIJTWRICRFDFB-LZBKUMLDSA-N 412.439 -1.561 0 1 HAAF C[C@@H]1[C@@H](O)C[C@@H](O)[C@](C)(CO)[C@H]1/C=C/[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255223759 KRMSEWONKHJOIF-YLHNROMASA-N 406.472 -1.876 0 1 HAAF C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 257540790 SGUOENJPMRQEMJ-UNLOZHIDSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356509658 XEGUBLZOESPNQE-QDRMNVNKSA-N 418.395 -2.656 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356647314 IBOBEERRSJXQNF-RQVDYCLTSA-N 414.360 -5.656 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356682470 MJAVHXIMPOPFJG-OPOKVYTHSA-N 404.368 -2.964 0 1 HAAF C[C@@H]1O[C@H](Oc2ccc(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 2356794758 LJZGVVDZYKJWFR-NPPOOLLZSA-N 406.435 -1.075 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)N[C@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@H]1O 199375776 ZOGMAXMIGBTMQR-KKHNSLHASA-N 412.406 -1.198 0 3 HAAF O[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 257445711 ILEPOIYJHJQWCK-DDWAUPSMSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)[C@H](O)[C@H](O)C[C@](C)(O)[C@@H]3C[C@@H]3OC(=O)[C@H](O)[C@]1(O)[C@]32C 2356348699 BILZREJNQHDKIP-CTEQQGDXSA-N 416.467 -2.100 0 1 HAAF O=C(O[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1 2356539670 WGYAFONFGRTQCH-BUDZERCZSA-N 402.352 -2.936 0 1 HAAF CC(=O)OC[C@@]12C[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356683098 HDMCWFHTAHTHFU-NLEUHFTLSA-N 402.396 -2.151 0 1 HAAF COCC(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O 28763727 NNONZLUPBQRBKD-YUJQGITFSA-N 421.200 -1.289 0 1 HAAF CC(C)CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38559332 VLRGBWXSYFMTKJ-VGNHIMHRSA-N 412.432 -3.327 0 1 HAAF CO[C@@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 66263569 XPAUCTZKSHWPRS-BHPPVPTJSA-N 418.417 -4.691 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 95915071 UWKRNCNWJVCHGZ-QNIGTPJLSA-N 416.423 -2.490 0 1 HAAF biogenic,in-vitro NS(=O)(=O)OC1CCN(S(=O)(=O)[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)CC1 263621309 YWFAXYRITIKYCW-ZKKRXERASA-N 406.435 -4.199 0 1 HAAF in-vitro CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C3C(=O)O[C@@H]4C=C(CO)[C@@H]2[C@@H]34)[C@@H](O)[C@H](O)[C@H]1O 2356495238 KYZSIRLGANXBNT-OYBUGSLRSA-N 414.363 -2.296 0 1 HAAF CC=C1[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356592809 KYVUMEGNMQDSHO-ZLUCGETJSA-N 418.395 -1.658 0 1 HAAF C[C@@]1(F)[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O 96903058 VPPLCOBQDZAMRD-VPCXQMTMSA-N 420.179 -1.251 0 1 HAAF in-vitro OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238732231 NJMQSVWMCODQIP-IRLPNBRMSA-N 402.396 -2.532 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](CO)O[C@H](Oc3ccccc3)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356335785 CXWJIAWZHVBJLG-XDEKXZDBSA-N 418.395 -3.311 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356405984 JVCXUCHSIDSOMM-JUKDZXAPSA-N 420.367 -3.410 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356656825 ZCNREQTVGGXJTO-CJHMEAONSA-N 408.444 -1.989 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@@]2(C)O 2356670547 SCXMMKUKDINSDI-XKWXYFJQSA-N 404.412 -2.577 0 1 HAAF COc1cc2c3c(c1)O[C@]1(CN([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C(=O)NC1=O)[C@@H](C2)C3=O 587438855 RPYVWRJIVDKWHT-SSYVTVNBSA-N 420.374 -1.828 0 1 HAAF N=C(N)NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c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c2ccccc2)[C@@H](O)[C@H]1O 14651705 ZRGXCWYRIBRSQA-AZVBSYJQSA-N 416.423 -2.491 0 1 HAAF endogenous,in-man CCC[C@H](NC(=O)[C@H](CCC)NC(=O)[C@@H](N)CNC(=O)/C=C/C(=O)OC)C(=O)O 28764751 XMBANNSIKUJHNF-DGWFCWONSA-N 414.459 -1.187 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 29407296 XXABJEPVVSRKKB-LIBKGXAOSA-N 407.408 -1.147 0 1 HAAF CC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 263606848 RIOXASLXDGZHON-BGPZULBFSA-N 417.346 -1.261 0 1 HAAF Cn1cc(S(=O)(=O)NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cn1 61945130 LSYMBNJABDIFPD-IDTAVKCVSA-N 410.416 -2.260 0 3 HAAF NC(=O)[C@H](CC(=O)O)NC(=O)C1=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](O)[C@H](O)C1 36355406 KUNULXMIJQHNHK-RMRHIDDWSA-N 424.385 -1.188 0 1 HAAF biogenic CC(=O)OC[C@]12C[C@H]1[C@@H](O)[C@@H]1C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 70454225 HDMCWFHTAHTHFU-YUKBJEIDSA-N 402.396 -2.151 0 1 HAAF biogenic,in-vitro C/C=C1/[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 138133733 KYVUMEGNMQDSHO-PVCIXGPPSA-N 418.395 -1.658 0 1 HAAF CC(C)(O)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857557056 QCTKHFCZUFKGHQ-JTFADIMSSA-N 404.405 -2.525 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356335662 CMNGMGGJQXLNNS-QYEDLHRWSA-N 410.460 -1.765 0 1 HAAF COc1cc([C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CO)cc(OC)c1O 2356339933 BWTUJFUIJMARGG-BERILVBXSA-N 406.384 -2.380 0 1 HAAF C[C@H](O)C=C[C@]1(O)[C@H](C)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CC1(C)C 2356349192 WMBODJDHWWGSJT-ROLLICSESA-N 406.472 -1.734 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@H](O)[C@@]5(O)OC[C@@]34[C@@H]5[C@]2(C)[C@@H](O)[C@H](O)C1 2356759451 QASFGTPMWKRNSJ-ZXNRFJEWSA-N 412.435 -1.812 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 221502982 LABSPYBHMPDTEL-BTLHAWITSA-N 422.276 -5.280 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1O[C@H](O)[C@H]2O1 255259875 PSTHWEAXBIXPRZ-VOPPEHSTSA-N 420.367 -3.088 0 1 HAAF C[C@](O)(CO)[C@H](O)COC(=O)C=Cc1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1 2356394710 GTNFLOUXEFGGSM-ZAWLATJESA-N 416.423 -1.464 0 1 HAAF COC(=O)[C@H](Cc1cccnc1)NC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(C)=O 25421207 VLZULVQHHCWPOT-LSDHHAIUSA-N 412.468 -1.226 0 1 HAAF biogenic NC(=O)CNC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](NC(=O)Nc2ccc(F)cc2F)C1 33692368 ACNVPPJAAKGQSM-GKSGUAPZSA-N 402.354 -1.697 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO 238752487 XJMPAUZQVRGFRE-LODDUEQLSA-N 404.368 -3.258 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)[C@H]1O 13348005 CDOJPCSDOXYJJF-JTTWFCAFSA-N 424.403 -5.110 0 1 HAAF in-vitro Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CS(=O)(=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@@H]1O 27548534 WEJCSEDKUUEPSC-AMOVGVPESA-N 414.444 -2.092 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1OP(=O)(O)O 45385501 SJYSNHKMTFGYGX-AIECOIEWSA-N 420.093 -2.870 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@@H]1O 64373503 FJGXDMQHNYEUHI-AYRRGACDSA-N 424.403 -5.110 0 1 HAAF in-vitro N[C@@H]1[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@H](O)[C@H]1O 2356646666 LOPKUYZFWDPPJT-NVNDIDOJSA-N 421.292 -5.927 0 1 HAAF CC(=O)OC[C@@]12C[C@@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356683099 HDMCWFHTAHTHFU-XNIFURGKSA-N 402.396 -2.151 0 1 HAAF C[C@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 59211718 SWJBYJXTNZNTIR-SEDPGNGESA-N 403.392 -3.876 0 1 HAAF in-vitro O[C@H]1[C@H](NCc2cn(C3CSCCCSC3)nn2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 100754691 LBOWUIJJPWMMIC-JYBHGSPCSA-N 406.530 -2.034 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 203810795 LABSPYBHMPDTEL-FAFXHILJSA-N 422.276 -5.280 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1 238780319 KDEYBHDVXAKYRU-LCHNQRLISA-N 414.407 -2.028 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cncnc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430335 QBVLNTKAVSPZLD-ZIAGYGMSSA-N 404.427 -1.829 0 1 HAAF biogenic C[C@@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@H](O)[C@@H](O)[C@H]1O 2356641085 CXUKHOAIYNXPCX-AOFPOHJFSA-N 404.412 -1.394 0 1 HAAF C[C@H]1CN1C[C@@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 28218629 ZFLQPYGPDPYNQY-BUBSSSHASA-N 407.504 -1.798 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 254074738 DKSFGHQZRXXSTP-TYTFJRNLSA-N 402.352 -2.137 0 1 HAAF CCCCCC(=O)O[C@H]1[C@H](O)[C@@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@@H]1O 2356344517 BGLMHEUNVVQFLX-VXNIMSTFSA-N 424.443 -1.781 0 1 HAAF O=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc1 2356478244 WNBIKNLJJFCZAQ-LDFUESSSSA-N 416.379 -2.857 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356538927 WGYSMZQKECLRAK-DNDJXCCISA-N 418.395 -3.179 0 1 HAAF C[C@@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640559 LEAXFLBWBNRFEJ-OQPBUACISA-N 416.412 -2.870 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@@H]1O[C@@H]1[C@]21O[C@H]1O 42876671 UXNDFLAYYHSFII-DXIDDTKXSA-N 418.351 -3.683 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=O)NCc2ccco2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84655425 JJZBKPYFWMPUOM-PWRGDLIESA-N 413.383 -1.967 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 85982779 DZMYOBBWRZTUTA-HBANRDHTSA-N 414.407 -2.028 0 1 HAAF in-man O[C@H]1[C@H](O)CO[C@@H](O[C@@H]2CO[C@H](O[C@H]3CO[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@@H]1O 255220778 JCSJTDYCNQHPRJ-JJGGCVTHSA-N 414.360 -5.656 0 1 HAAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)O 587219325 KGMISGOXBQEIHG-SCZZXKLOSA-N 413.412 -1.486 0 1 HAAF COC(=O)CN1C(=O)[C@@H]2C[C@H](O)CN2C2(CN(C3CCN(C(C)=O)CC3)C2)C1=O 2356300846 UFAOOAHXWWTKFG-GJZGRUSLSA-N 408.455 -1.971 0 1 HAAF N=C(N)NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@@H](O)[C@@H]3O)c12 2356355787 HEPDMOJOMOXAQO-ZXFNITATSA-N 408.411 -1.710 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 13409242 OMFHKRCSRGUKRK-GXJSPTFOSA-N 406.365 -1.424 0 1 HAAF endogenous,in-man CCCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 32010888 MJLANALQVVJGQU-BVOVQSRASA-N 400.388 -2.757 0 1 HAAF O=c1nc(NCc2ccccc2)[nH]c(=O)c2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49032585 KFMMSYDRLOMINX-PRBJMDPQSA-N 401.379 -1.297 0 1 HAAF COc1cc(C[C@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 95626136 OQZAGOJJVQJMIE-SHIXCBKTSA-N 414.363 -1.080 0 1 HAAF in-man C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356634601 KGDOTJVAFOIYCT-ZZQBUHDRSA-N 416.423 -2.145 0 1 HAAF Nc1nc(=O)c2ncn([C@@H]3O[C@H](C(=O)NCCCN4CCCC4=O)[C@@H](O)[C@H]3O)c2[nH]1 199709614 NHDUHXCPQZBJDK-MEQWQQMJSA-N 421.414 -2.550 0 3 HAAF CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@]5(O)C(=O)OC[C@]34[C@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 299835488 WTELTUSRXDOCFZ-NPFXWZENSA-N 410.419 -1.604 0 1 HAAF O=C(O[C@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356440900 VJWJBEKMAHGPHV-JMOURVIKSA-N 416.379 -2.893 0 1 HAAF COC(=O)[C@H](C)NC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(=O)C1CCNCC1 25429145 SKUMCJCLFUIGNU-WCQYABFASA-N 404.489 -1.864 0 1 HAAF biogenic C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@]1(C)O 199820989 SGUOENJPMRQEMJ-MHHOZIMSSA-N 406.472 -1.589 0 1 HAAF C[C@@H]1O[C@@H](O[C@@H]2[C@@H](NC(=N)N)[C@@H](O)[C@H](NC(=N)N)[C@@H](O)[C@@H]2O)C(O)(O)[C@@]1(C)O 255269808 TVWDYAJGQFKWSL-XSUQVPRWSA-N 408.412 -5.652 0 1 HAAF CCOC(=O)Cn1cc(CN2[C@H](C(=O)OC)CN(CCO)CCS2(=O)=O)nn1 96019854 YMHRKRXUUDROLQ-ZDUSSCGKSA-N 419.460 -2.178 0 3 HAAF NCCCCN[C@@H](CCN)CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 13742155 QWWYIMOIEWLIOP-AJKMGBEJSA-N 408.507 -1.146 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N(C)CC(=O)O)=C(COC(C)=O)[C@H](C)S(=O)(=O)[C@H]12 27201090 CZDZYTSYZGCSLJ-KMEIOAJYSA-N 404.397 -1.653 0 1 HAAF O=c1ccn(C[C@@H]2O[C@H](CO[P@@](=O)(O)CCNCCO)[C@@H](O)[C@H]2O)c(=O)[nH]1 28817035 JRZZLNDLTQJNEY-JULQROHOSA-N 409.332 -3.190 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12 31794222 DKSFGHQZRXXSTP-APBJCTGESA-N 402.352 -2.137 0 1 HAAF NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 73333882 JEATYFJZADYIEM-MBJXGIAVSA-N 421.497 -2.860 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](OC)[C@H]12 238739155 XJZRHAMUBWIJEV-DILZHRMZSA-N 418.395 -2.604 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C1=C[C@@H](O)[C@]2(C)O 2356473607 KSQVTHWVSWYGNQ-YRFOXOHVSA-N 404.368 -3.116 0 1 HAAF CC(=O)C[C@@]1(O)C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356474949 JXRURJXEYMRHCO-UOWBPGOSSA-N 406.384 -3.505 0 1 HAAF N=C(N)NCCC[C@@H](NC(=O)CNC(=O)CNC(=O)OCc1ccccc1)C(=O)O 15955253 KKOWZNDQAYTLHV-CYBMUJFWSA-N 422.442 -1.138 0 1 HAAF biogenic O=C(N[C@H]1[C@@H](O[C@@H]2C[C@](O)(CO)C[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CC1 28817693 LKSUQSKUCGOESJ-FGIQJREJSA-N 407.416 -4.056 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 39142187 FPMURYWLAWHLRF-DCSNAHRYSA-N 404.368 -2.964 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CNC(=O)c1nnn[nH]1)C(C)C)C(=O)O 66252074 ODYMTBUPBOVCNV-DCAQKATOSA-N 412.451 -1.987 0 1 HAAF O=C1NC(=O)/C(=C/c2cnn3c(NC4CC4)nc(N4CCN(CCO)CC4)nc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c2nc3cc4cn[nH]c4cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235003 BWBVLOFUCSRHPQ-AIVZJVSBSA-N 421.410 -2.047 0 1 HAAF CC(=O)O[C@@H]1[C@@H](C(=O)NCCCO)O[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 653770052 XURJPSAZVHLJDB-NBFUAULTSA-N 419.383 -1.432 0 1 HAAF C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(N)=O)[C@@H](C)O 26477374 GIBQQARAXHVEGD-TVQXOTEMSA-N 413.475 -2.973 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39806445 HWEINOMSWQSJDC-WOPDTQHZSA-N 415.495 -2.057 0 1 HAAF biogenic N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 299804938 RYSDKXFWOGEMJS-YVPRDFHESA-N 424.411 -6.416 0 1 HAAF CC(=O)N(O)CCCNC(=O)C[C@@]1(O)CC(=O)N(CCCN(O)C(C)=O)C1=O 14692542 YFPAMFCNJAVQBF-MRXNPFEDSA-N 402.404 -1.762 0 1 HAAF biogenic C[C@H]1C(=O)O[C@H]2[C@@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@H]12 100772694 KDKROYXEHCYLJQ-PZGMRXPXSA-N 424.402 -1.514 0 1 HAAF endogenous,in-man O=C1OCC[C@]2(O)C1=CO[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]2[C@H](O)CO 238743423 GYWSUCYZXMXNFD-YZYAHLETSA-N 408.356 -4.310 0 1 HAAF Nc1ncnc2c1c(SCCO)nn2[C@H]1C[C@H](O)[C@@H](COS(N)(=O)=O)O1 1857553057 PPVHOSLXJQOZMA-XLPZGREQSA-N 406.446 -1.639 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)[C@@H](O)[C@@]2(C)O 2356699169 HHDWDLBSGSYIQQ-LSWSNHCYSA-N 422.383 -4.065 0 1 HAAF NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1NC(=S)NC(=O)c1ccccc1 5724215 MIUNBHQVJPEDHM-QMABLASFSA-N 421.435 -1.280 0 1 HAAF CNC(=O)CCCCO[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1 26840168 MZXVATPDYBSKIH-TWRVGDEZSA-N 422.431 -2.931 0 1 HAAF NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 39290226 DDOHHRUODNXYAC-WWZHPTPQSA-N 405.378 -6.101 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@@H]12 70455323 YTZSBJLNMIQROD-BXYJBLFWSA-N 406.384 -2.424 0 1 HAAF biogenic,in-vitro O=C(O)[C@@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](OP)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1P 95618001 FHVDTGUDJYJELY-RDNCNBJRSA-N 418.228 -3.515 0 1 HAAF in-man CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@]21C 238761271 DTHRMEYEJGYKKG-SHHNWQMXSA-N 404.412 -1.618 0 1 HAAF C[C@@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@H](O)[C@@H](O)[C@@H]1O 2356641088 CXUKHOAIYNXPCX-KXILARLYSA-N 404.412 -1.394 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)CC(=O)[C@@H]12 2356741411 JTIRVAMILJQVBT-ATNONPBJSA-N 404.368 -2.970 0 1 HAAF CC(C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(CO)[C@@H](O)CCC(=O)[C@H]2C1 2356775992 SGQGOVXPGVVLHY-UHGUFARGSA-N 418.483 -1.300 0 1 HAAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 70455451 XEGUBLZOESPNQE-WKTYNKDSSA-N 418.395 -2.656 0 1 HAAF biogenic,in-vitro CC(=O)OC[C@H](CO[P@@](=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(C)=O 100896839 WCCWBLFRGXINLH-RLVFZHNRSA-N 418.288 -3.199 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1[C@H](O)[C@H](O)[C@@H]2C 254156496 QDEYKGKBMCIYCT-YUZXIVPVSA-N 406.384 -3.180 0 1 HAAF CNC(=O)CO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cc(C)c(=O)[nH]c1=O 58638726 PQERMMDCFWNASH-UGKPPGOTSA-N 409.288 -2.656 0 1 HAAF in-vitro CO[C@@H]1O[C@@H](C(N)=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1NC(C)=O 95565287 BYEYDYCSINODBV-PYHCXSDPSA-N 410.376 -5.106 0 1 HAAF COC(=O)[C@H]1C[C@H](OC)[C@@H](S[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C[C@@H]1C(=O)OC 1772613416 SMFIRFZRNLSYBA-IVSKRZMWSA-N 424.468 -1.725 0 1 HAAF CCCNC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 13818949 SOZFXTLKGLGATP-UBEDBUPSSA-N 418.414 -1.655 0 1 HAAF C[C@]1(n2cnc3c(N)ncnc32)O[C@](C)([C@@H](CO)P(=O)(O)O)[C@](C)(O)[C@]1(C)O 95535559 CVPFBFVGFOSKCW-KQKFKXPDSA-N 417.359 -1.089 0 1 HAAF C[C@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587831023 VJGXFLDVRZQQRX-FSPPWMDISA-N 424.263 -1.040 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](P)[C@H](O)[C@H]1O 2356574572 FHVDTGUDJYJELY-OJZUGQASSA-N 418.228 -3.515 0 1 HAAF C[C@@H](O)C=C[C@]1(O)C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C[C@@H](O)CC1(C)C 2356589667 NQVCHILBOKUZIP-LREXWIDCSA-N 404.456 -1.812 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@@H](O)[C@H](C)[C@@H]23)[C@H]1O 2356593905 BCWFBSRSXRFEIL-XYBMLOOFSA-N 418.395 -1.668 0 1 HAAF CN1CC[C@@H](CC(=O)N[C@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)NC1=N 4095671 NXYZPLILSHUEBR-ZNIXKSQXSA-N 405.415 -1.533 0 1 HAAF in-vitro COc1cccc(-c2nc3c(=O)nc(N)[nH]c(=O)c3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 28650381 ZMPZQPFXTZVNJY-DMEFTLKTSA-N 417.378 -1.651 0 1 HAAF C[C@](O)(CO)[C@@H](O)COC(=O)/C=C/c1ccc(OC[C@@](C)(O)[C@H](O)CO)c(O)c1 96085435 GTNFLOUXEFGGSM-BSVFCNQSSA-N 416.423 -1.464 0 1 HAAF in-vitro Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430672 IPCDNKHEPUKCNK-OCCSQVGLSA-N 411.484 -1.494 0 1 HAAF biogenic C[C@@H]1C(=O)O[C@H]2C[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]56[C@H](C(C)(C)C)[C@H](O)[C@@H](OC3=O)[C@@]46[C@]21O 44018388 HXSVRRZOLBFCIQ-OBIBXUGSSA-N 424.402 -1.370 0 1 HAAF in-vivo CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 238766257 CAFTUQNGDROXEZ-WBLXQALJSA-N 406.384 -2.893 0 1 HAAF CC(C)C[C@@H]1NC(=O)[C@H](CC(C)C)N(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1=O 2356421233 ZVZSSTYLWXWSDK-OGYXQLLRSA-N 404.460 -1.494 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@@]12O 2356542016 LDBMLOLBWUOZGG-XIVMNRKVSA-N 404.368 -3.114 0 1 HAAF O=C(NS(=O)(=O)c1cccs1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 199715610 MSTLUCJKYKQUDW-MIZYBKAJSA-N 403.394 -2.278 0 3 HAAF O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1 8035193 XCCTYIAWTASOJW-YDLFOAGRSA-N 404.161 -2.618 0 1 HAAF O=C(c1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1)c1c(O)cc(O)cc1O 2356401149 UZPRNHIJTLCPPQ-WHUJPVCOSA-N 424.358 -1.081 0 1 HAAF C[C@@H](CC(C)(COC(=N)O)COC(=N)O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356600273 GNJYITKRBXPECB-FDBSGGBOSA-N 410.376 -1.301 0 1 HAAF CO[C@@H]1O[C@H](Cn2cc(CO[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)nn2)[C@@H](O)[C@H]1O 2178319950 OHAWNNSROPIUKC-UEZCKYPQSA-N 407.376 -4.312 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@]12O 2356423217 RDRJMXSIBSPVSQ-KQDLCJQNSA-N 420.367 -3.855 0 1 HAAF O=C(c1cc(O)ccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1O 2356495740 CLNBEVGRQDBTGN-WHUJPVCOSA-N 424.358 -1.081 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356604316 XVEQZCCPXIQRBX-UFNHMRPESA-N 424.443 -3.017 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2CCC(=O)[C@]12C(=O)O 2356616450 XJRFLCMOTHIFMB-WHMCQBHMSA-N 418.351 -2.734 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)[C@@H]2CSCN2)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 36368211 FGOJJMNUGDJHDF-WOPDTQHZSA-N 419.529 -2.484 0 1 HAAF biogenic O=P(O)(O)C[C@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 103262858 LIGBAXRYIYXSON-NVYKSAHZSA-N 420.304 -5.169 0 1 HAAF in-vitro COC[C@H]1O[C@H](O[C@@H](C)[C@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)[C@@H](O)[C@H](O)[C@H]1O 2356715013 CARGJJGBCUDXAL-IHWLNTEJSA-N 413.387 -2.570 0 1 HAAF O[C@@H]1[C@@H](OC=C2CCC3CC2C3)O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356373112 SBEAYYBOUQWTHI-GDVBGCPCSA-N 418.439 -2.030 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 95626137 KPVLDYMZFUPBJG-ZEKDLQAVSA-N 414.363 -1.080 0 1 HAAF in-man O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356752958 ITPHOIFCAFNCLL-REXPLCHKSA-N 422.276 -5.280 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356755998 LCIXUGGPLIEEGU-YYJXCGRLSA-N 424.402 -1.336 0 1 HAAF O=C(O)CN(C[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O 26502215 VUFLGAGEDNEJIV-LWIVVEGESA-N 413.209 -3.939 0 1 HAAF O=C(C=Cc1ccc(O)cc1)OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356516210 PADHSFRQMFRWLS-BONHGPHZSA-N 400.380 -1.874 0 1 HAAF O=C(O[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O)c1ccccc1 2356539673 WGYAFONFGRTQCH-YGGNPSTCSA-N 402.352 -2.936 0 1 HAAF Cn1nc(S(N)(=O)=O)s/c1=N\S(=O)(=O)c1ccc(NC(=O)CN)cc1 13800459 YQQXRCPCCNGDMQ-YBEGLDIGSA-N 406.471 -1.684 0 1 HAAF N[C@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 40520381 RHUZQIJSAKZPDO-CNWJWELYSA-N 419.109 -3.517 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356380567 KPVLDYMZFUPBJG-MOONKAITSA-N 414.363 -1.080 0 1 HAAF NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)CNCC(=O)O)cc1Cl 13472890 NKSZINAVVZLLJH-UHFFFAOYSA-N 400.822 -1.753 0 1 HAAF CCO[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1C(=O)O[C@@H]1[C@H](O)C=C(C)C 71341352 OYRNAQRKPVOICQ-JKNURMDQSA-N 406.428 -1.923 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)O 86030242 XSCVKBFEPYGZSL-MJLKLKFNSA-N 404.368 -1.747 0 1 HAAF in-man Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356405987 JVCXUCHSIDSOMM-YEAWBTPSSA-N 420.367 -3.410 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@@H]1O[C@@H]1[C@]21O[C@@H]1O 42877295 UXNDFLAYYHSFII-MGJHJAQTSA-N 418.351 -3.683 0 1 HAAF C=C/C(=C/NC(=O)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O)CO 140119696 PYEDMQSECHECBB-CEXREEHGSA-N 406.388 -4.240 0 1 HAAF CC=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 2356592807 KYVUMEGNMQDSHO-QSSGTWANSA-N 418.395 -1.658 0 1 HAAF N=c1nc(O)c2nc([C@@H](O)[C@@H](O)CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cnc2[nH]1 2356680213 ZOUNAJWXLVYCLF-KOTBNZCRSA-N 415.359 -4.251 0 1 HAAF CO[C@@H]1O[C@@H](CNC=O)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1NC(C)=O 95565285 JFRJBJICDGAXEB-SVTOHCLSSA-N 424.403 -4.846 0 1 HAAF CCCNC(=O)CC[C@H](NC(=O)N[C@H](C(=O)O)[C@@H](C)O)c1nc([C@@H](N)CO)no1 1911581435 YZLYUYDWVJSYRO-WDCWCFNPSA-N 416.435 -1.458 0 1 HAAF COC(=O)C1=C(C)O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C 2356382266 UTICNCXLSLMBGF-JOHCNNBQSA-N 404.412 -1.761 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 85875800 DSDFXGQRZAFFQA-BSKIVQMXSA-N 416.379 -2.859 0 1 HAAF in-man Cc1cc2c(c(CO)c1CCO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@@H](C)[C@@H]2O 238768461 QUCQWGWEDCGWFJ-ILWLTIKSSA-N 412.435 -1.288 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356392225 UPOHPVGZYHVGEA-JCUQEQFFSA-N 402.396 -2.532 0 1 HAAF CO[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356681630 AKEZYQDNPMFFCO-VYGHDBGSSA-N 416.423 -1.878 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C[C@H](O)O[C@@H]2C 238738611 YTZSBJLNMIQROD-KABKSMEGSA-N 406.384 -2.424 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)cc1 2356441966 KDEYBHDVXAKYRU-BQUMSZHFSA-N 414.407 -2.028 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356605814 SMUMBCREXHTKFN-BYDQXXRASA-N 416.423 -2.145 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](O)[C@@H](NC(C)=O)[C@H](O)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H]1O 15205796 CDOJPCSDOXYJJF-JGEMGEIMSA-N 424.403 -5.110 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C(=O)O)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 27759525 QMDZPOJZRZEFED-QGZVCZDXSA-N 400.384 -3.326 0 1 HAAF CNC[C@H]1CC[C@H](N)[C@@H](O[C@H]2[C@@H](N)C[C@@H](OC)[C@@H](N(C)C(=O)CNC=N)[C@H]2O)O1 238755759 FBYTVIISAJWXNX-RBRJLNKLSA-N 416.523 -2.446 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@]2(O)CO 2356530421 DPORNVNPTRLCKZ-ZCCGGRGGSA-N 422.383 -4.064 0 1 HAAF COc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356731325 IRQXUICHPFAQII-QIBDZQDVSA-N 418.395 -2.661 0 1 HAAF O=c1[nH]c(=O)n([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1-c1ccccc1 169309254 NZNQFRFMRJXRPL-WPLOAARJSA-N 414.307 -1.639 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@H]3CO[C@H](C[C@H]12)O3 2356542792 FDMHZAVPZJENRB-WJQWHCHUSA-N 404.368 -2.406 0 1 HAAF CO[C@H]1C=C(CO)[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@@H]21 2356587683 UGWIKFJKKFUZBT-BWAARUTRSA-N 404.368 -2.693 0 1 HAAF O[C@H]1[C@H](O)CO[C@@H](Oc2cc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc3c2)[C@@H]1O 28714118 YDZXPGVDXXAUAQ-UUAOINBQSA-N 424.402 -1.525 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O 64633708 WXRMULXJDGUOQT-MBPDHBOESA-N 423.459 -2.139 0 1 HAAF in-vitro OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@@H](O)[C@H]2O[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 85735997 FHLVHZWPBBNFQR-NEAZBRIYSA-N 414.360 -5.656 0 1 HAAF in-man COc1cc(C=CCO[C@@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356739078 ZNCIFZQZRARGRD-CCNMWVGKSA-N 416.423 -1.392 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 14951507 OZAWJTGBWLTNPL-YIYPIFLZSA-N 414.396 -2.106 0 1 HAAF COc1ccc(CNC(=O)C2=C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O2)cc1 95598055 UDDYFSPGSSPHPJ-QBBQCFRVSA-N 410.423 -1.826 0 1 HAAF C[C@H](/C=C/[C@]1(O)C(C)(C)C[C@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238760626 XZRJEYQBLXDNNU-CRGIWYKYSA-N 406.472 -1.589 0 1 HAAF O[C@H]1O[C@H](Cn2nncc2[C@H]2O[C@@H](O)[C@H](O)[C@H]2OCc2ccccc2)[C@H](O)[C@H]1O 1857638788 SBCDATCMZRGWBD-FZFIFKDPSA-N 409.395 -1.947 0 1 HAAF CCCC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356427381 YDNJAFJOMNMVCI-USCYINILSA-N 424.443 -3.017 0 1 HAAF O=C1C[C@H]2S[C@@]34C[C@@H]1[C@@H]([C@@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@H](O)[C@H]3N2C4=O 2356515324 KFDSXBGPHVNSIT-UDQZYVCSSA-N 422.484 -1.275 0 1 HAAF CC(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356710013 FUUXIPLOLSVADM-NXYPMSGJSA-N 412.388 -4.190 0 1 HAAF Cc1ccc(OCCNC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1C 169340049 KZKKSRZLHJSESG-UIBIWLFHSA-N 405.407 -1.032 0 3 HAAF CC(=O)N[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)C(=O)N[C@H](CCC(=O)O)C(N)=O 27623552 BFCWEAHZTMIOFA-IGHBBLSQSA-N 414.459 -1.210 0 1 HAAF O=C(O)CC[C@H](NC(=O)C(F)(F)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C(=O)O 49048135 CWCBUFOYNNYNKN-ZPGBPUSPSA-N 403.287 -3.782 0 1 HAAF O=S(=O)(O)O[C@@H]1[C@@H](O[C@@H]2O[C@H]3CO[C@@H]([C@@H]3O)[C@H]2O)[C@H](O)[C@@H](O)O[C@@H]1CO 2356309234 OGFGYTRGDDWUKC-AASAZUINSA-N 404.346 -4.525 0 1 HAAF C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2[C@H](O)[C@H]3[C@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@@H]4CO 2356335122 TYUSHSMNEUZGNO-UAEPQSIESA-N 410.419 -1.038 0 1 HAAF O=C(CC[C@H](O)Cc1cc(O)cc(O)c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in-man OC[C@H]1O[C@@H](OC[C@@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 95635570 OUGBMVAQMSBUQH-INTHJEEYSA-N 414.360 -5.656 0 1 HAAF in-vitro OC[C@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827412 FUDXMJHOJWYSEJ-ORVTUGDKSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man N[C@@H]1[C@H](O)[C@@H](CO[P@](=O)(O)CP(=O)(O)O)O[C@H]1n1ccc(O)nc1=O 1857544829 GVCMQAGJENAFLK-ZOQUXTDFSA-N 401.205 -2.128 0 1 HAAF NC[C@H]1O[C@H](OCCCCO[C@H]2O[C@H](CN)[C@@H](O)[C@H](O)[C@H]2N)[C@H](N)[C@@H](O)[C@@H]1O 2178319953 OSGUFMNIIFDHJO-JSCVLIECSA-N 410.468 -4.735 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O 2356768402 PBKBHCJPMCMBCZ-ZLVVZHHKSA-N 416.423 -2.491 0 1 HAAF CC(=O)N[C@@H]1C[C@@H]2C(=O)N[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)[C@@H]3C(=O)N2C1 6293736 MYDYWLOAMBIRQL-VQHPVUNQSA-N 419.482 -1.550 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H]1O[C@@H]1[C@]21O[C@@H]1O 42877291 UXNDFLAYYHSFII-CYXPCIHLSA-N 418.351 -3.683 0 1 HAAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@H]1O 64448275 ZDQUEPDNMYMYGB-SRTKAIALSA-N 417.488 -2.317 0 1 HAAF CNCCCC[C@H](NC(=O)[C@H](CO)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(N)=O 1911586190 ZABLYMWKWWRCFY-KKUMJFAQSA-N 401.508 -1.626 0 1 HAAF CC(C)C(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@H](O)[C@H]1O 2356294387 OVABDVAACOIYJV-OJLVUWQFSA-N 415.516 -1.609 0 1 HAAF C[C@@H]1SC[C@@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 11616829 RSHMQGIMHQPMEB-XYJRDEOASA-N 408.484 -1.467 0 1 HAAF NC1=NC(=O)[C@@H]2N=C(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CO[C@H]2N1 40504218 FMDCGKMELCGRDQ-YNZJMPHRSA-N 417.378 -1.307 0 1 HAAF CC(=O)O[C@@]12COC=C[C@]1(O)[C@H](O)C[C@]2(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356751396 BHHBWNXFHDILDX-PPRRCVGVSA-N 406.384 -3.097 0 1 HAAF CC[C@H](C)[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CC(=O)O)C(=O)O 3924505 BELGAWBTHZWTMH-VTWYOBELSA-N 408.404 -3.164 0 1 HAAF NCCCC[C@H](N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 39830989 NTBFKPBULZGXQL-KKUMJFAQSA-N 424.454 -1.080 0 1 HAAF in-vitro CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)N[C@H](C(=O)O)c2ccccc2)O[C@H]1[C@H](O)[C@H](O)CO 95593878 UIIZOHQDSCIIKV-BBKQSLKASA-N 424.406 -2.209 0 1 HAAF COCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CNS(N)(=O)=O)[C@@H](O)[C@H]1O 117143101 FTTBWIOWHBXPNC-QYVSTXNMSA-N 403.421 -2.703 0 1 HAAF OC[C@]1(O)CO[C@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 238778237 GZSQKOFXMZDKPV-ZVOZYRGUSA-N 416.423 -2.490 0 1 HAAF COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1OC)CCN(C)[C@@H]2CO 2356698015 ANLAXYVKKILUOM-HEGZZJKFSA-N 415.439 -1.596 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)O 96095021 ZKEHTYWGPMMGBC-XUXIUFHCSA-N 402.492 -1.043 0 1 HAAF in-vitro O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O 253682062 GFBCCYAUTYOZMC-URLGYRAOSA-N 404.094 -2.454 0 1 HAAF CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356390943 GVJUTBOZZBTBIG-XQQFMLRXSA-N 401.512 -1.584 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@@H](O)[C@@]12O 2356631702 LGTHGFVYOAZGBN-VJDYLJPESA-N 422.383 -4.065 0 1 HAAF C[C@@H]1[C@@H](O)C[C@@H](O)[C@@](C)(CO)[C@@H]1C=C[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356654797 KRMSEWONKHJOIF-JQJPTJRGSA-N 406.472 -1.876 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 13409238 OMFHKRCSRGUKRK-ZOOHFXJESA-N 406.365 -1.424 0 1 HAAF in-man COC(=O)CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 26573200 ILRFJIVVSCSBLC-GXTWGEPZSA-N 405.381 -1.478 0 1 HAAF CC(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)[C@@H](C)O)CCC1 149751791 IYFZGQHTDQYXDZ-USWWRNFRSA-N 413.479 -2.856 0 1 HAAF CC(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O 95566216 MNRRTNAHHXXFTD-JKSUJKDBSA-N 400.439 -1.214 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587824673 CKJASRCTTCTDJF-KEMDXNNVSA-N 424.263 -1.040 0 1 HAAF C[C@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587825520 AKAHJAZGXXTSSN-FJIRNSJHSA-N 424.263 -1.254 0 1 HAAF CC(=O)O[C@H]1C[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2[C@@H]1C 2356482549 PYRKTZSRUCICCL-PMMWOANKSA-N 418.395 -1.668 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O 64633738 WXRMULXJDGUOQT-FQTZBNFXSA-N 423.459 -2.139 0 1 HAAF in-vitro COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 2356378135 XLAAFUIQGACOIR-MRNKIVSGSA-N 412.391 -1.349 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H]1O[C@@H]2[C@H](O)O1 2356451730 PSTHWEAXBIXPRZ-CQUSKVHTSA-N 420.367 -3.088 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1=O 5030536 GGBYVYDNNBAHOS-XQCUEUFKSA-N 403.395 -1.097 0 1 HAAF in-vitro Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1=O 16919969 GGBYVYDNNBAHOS-YPHNTLSLSA-N 403.395 -1.097 0 1 HAAF O=P(O)(O)O[C@@H]1C[C@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1O 27759865 GHYKQXTYUPPQMF-YDMGZANHSA-N 404.094 -2.454 0 1 HAAF CC(=O)O[C@]1(C)C[C@H](O)[C@]2(O)C(C)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]3O)[C@H]12 141565819 KPUSIQDGYABESP-WLJKUCSMSA-N 420.411 -2.503 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1 238740705 DZMYOBBWRZTUTA-UUOPEYFDSA-N 414.407 -2.028 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]1[C@@H]32 238777141 COUXBBBIXWWAEP-AGUBZPQCSA-N 414.363 -2.296 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(F)c(F)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235745 QNXCFQKYYJPZBA-CXECBNLGSA-N 417.365 -1.645 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)C[C@H](O)[C@@]12O 2356510060 MLTZHVBDDNOQNM-OKZISKQPSA-N 406.384 -3.036 0 1 HAAF N=c1ccn([C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)c(O)n1 2356745903 DHNKPBBSFXICPK-BAPCVQONSA-N 405.360 -4.496 0 1 HAAF COc1ccc(C(=O)N2CCN(C(=O)CN)[C@@H](C(=O)N[C@@H]3CCCNC3=O)C2)cc1 25431248 QPBJHHRNAJJZRY-HZPDHXFCSA-N 417.466 -1.298 0 1 HAAF biogenic NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)N1C(=O)NC[C@@H]1C(=O)O 27750833 VXFHUOOOTICIKU-GARJFASQSA-N 407.387 -2.015 0 1 HAAF CO[C@@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CCP(=O)(O)O)O1 96272823 NGFVOSJQZXNHAE-XAGGSGLKSA-N 401.305 -2.642 0 1 HAAF NCCCCNC(=O)/C=C/c1ccc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1 198552749 VPIJTWRICRFDFB-HWNMHCDRSA-N 412.439 -1.561 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@H]1O 2356344138 ZUGFBNMTMJLCQZ-PSTYQUNRSA-N 418.303 -1.965 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356474086 CGZNTHDUAFIKOH-BQUMSZHFSA-N 416.423 -2.491 0 1 HAAF C[C@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356478238 WMYNFWZLMQEVTL-ADKBBDKRSA-N 416.423 -2.145 0 1 HAAF Nc1nc(=O)n([C@@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O2)cc1CO 34965719 RQKDPSTWKKMBPM-FXQIFTODSA-N 417.204 -1.808 0 1 HAAF biogenic,in-vitro O=C(OCc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)c1ccc(O)cc1 238746603 HYWSNBPSCBWSHZ-OREGDWJXSA-N 424.358 -1.119 0 1 HAAF COc1cc(C=O)cc(OC)c1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O 1772602481 HZUOEAKEJZLEHE-VVSAWPALSA-N 424.380 -1.478 0 1 HAAF CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@H]1N(C)C(=O)CN 3830237 BIDUPMYXGFNAEJ-KGAQEZSVSA-N 405.496 -3.585 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 38334580 LABSPYBHMPDTEL-ISZBHCAKSA-N 422.276 -5.280 0 1 HAAF N=C(N)NCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O 39831563 UZFHNLYQWMGUHU-DCAQKATOSA-N 417.467 -2.765 0 1 HAAF biogenic O=S(=O)(O)O[C@H]([C@H](O)CN1C[C@@H](O)[C@H](O)[C@H]1CO)[C@H](O)[C@H](O)[C@@H](O)CO 64454093 AVBFSHIGFAGQOM-HGOBXLMCSA-N 407.394 -5.991 0 1 HAAF C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 257540788 SGUOENJPMRQEMJ-HYVMTLDCSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)O 587221917 RQTYFMPNUFXNNJ-IONNQARKSA-N 413.412 -1.486 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587831025 VJGXFLDVRZQQRX-UUBKEENGSA-N 424.263 -1.040 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C(=O)O)CC[C@@H]12 2356456809 RLCWEUBIDIWNEA-MTGBUJOJSA-N 404.368 -2.057 0 1 HAAF CC(=O)O[C@H]1[C@H](O)[C@@H](O)O[C@H](C(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356521623 GADQYBXXXSDVFH-FGAYTXCJSA-N 412.300 -4.642 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356593976 CPJPQXHWHOMKBP-OLNKUJJASA-N 416.376 -6.020 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](OCc2ccccc2)[C@@H](O)[C@@H]1O 13376360 WOGBNISMMIOPAZ-VZSSWNIKSA-N 402.396 -2.534 0 1 HAAF in-man O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cc(Br)c2c(c1)OCCO2 45348840 KCFALEHTEQQNTQ-BJIWRROBSA-N 420.212 -1.250 0 1 HAAF C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O 86031748 SGUOENJPMRQEMJ-AEIOGVSHSA-N 406.472 -1.589 0 1 HAAF in-man Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1NC(=O)c1cc(O)cc(O)c1 27547070 USWKJQTWIWBSFB-WYFUGZQLSA-N 402.367 -1.131 0 1 HAAF CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O 39797167 IGUOAYLTQJLPPD-DCAQKATOSA-N 401.468 -2.657 0 1 HAAF biogenic N[C@H](CN[C@@H]1C[C@H](N)[C@@]2(CC[C@@H](O)[C@@H](O)CO2)[C@H](O)[C@H]1O)Cc1ccc(O)cc1 103266687 ICYBXEBHTIROHA-LMAXZOFNSA-N 411.499 -2.056 0 1 HAAF CNC(=O)c1cnn(-c2nc(NC)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 13582889 NLHSUOFVYXIUGC-RYVSBMNDSA-N 404.387 -1.975 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 29407293 XXABJEPVVSRKKB-XDYICZGBSA-N 407.408 -1.147 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 64633946 UJXBXUSHOWRLIG-FZUJBOGNSA-N 422.276 -5.893 0 1 HAAF in-vitro CCCCO[C@@H]1C[C@@H]2[C@H](O)C=C(CO)[C@H]2[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356434922 JLNVQROWZIIJAE-DYBBBSEASA-N 420.455 -1.782 0 1 HAAF O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 61902240 NPCZAROIKQNVON-LYYZXLFJSA-N 416.452 -1.748 0 3 HAAF Nc1ccn([C@@H]2O[C@H](CNC3=NS(=O)(=O)c4ccccc43)[C@@H](O)[C@H]2O)c(=O)n1 61922367 UGTWKRRMJJZVNL-QGMIFYJMSA-N 407.408 -1.817 0 3 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](CS(=O)(=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@@H]1O 27548538 WEJCSEDKUUEPSC-VFWMFTPISA-N 414.444 -2.092 0 1 HAAF CCCC[C@@H](NC)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 40519995 YYDGPMVJEFGKJC-OIXPPJOQSA-N 414.415 -2.497 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356439164 GPAACNGMYVWROH-MMFWOALVSA-N 410.460 -1.763 0 1 HAAF C[C@@](O)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356543782 XLLCZCUXCFIKTJ-IHLHHUONSA-N 410.375 -1.379 0 1 HAAF OC[C@@H]1O[C@H](OCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1OC[C@](O)(CO)[C@@H]1O 2356858968 TXMLRXCCKUXUSF-DMKQDBSESA-N 418.395 -3.438 0 1 HAAF NC(N)=NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)O 146872826 SOYCWSKCUVDLMC-AVGNSLFASA-N 408.463 -2.107 0 1 HAAF O=C(O)[C@]1(O)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]([C@H](O)CO)O1 2356532010 DUZKJPNVBIBICC-MAMGCJBYSA-N 400.333 -5.552 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 27304788 SFEJDVWRGQKIIY-VVRAEIQOSA-N 408.152 -1.477 0 1 HAAF O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O 31976983 GRHWGVDHRAZFMQ-VFUOTHLCSA-N 420.348 -3.740 0 1 HAAF in-vitro N[C@@H](CC(=O)O)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)O 45370111 IAUOYSKWLPREFT-AVGNSLFASA-N 407.379 -1.214 0 1 HAAF CC(=O)NCC(=O)NCc1ccc2c(c1)c(O)c(C(=O)NCC(=O)O)c(=O)n2C 100604045 HXXITULMAJCBPM-UHFFFAOYSA-N 404.379 -1.189 0 1 HAAF C[C@]1(CO)CO[C@@H](OC[C@H]2O[C@H](Oc3c(O)occc3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356537357 PPBQLEKMVJABAT-NQRGLCQBSA-N 420.367 -2.736 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O 64633737 WXRMULXJDGUOQT-PHEMUFLLSA-N 423.459 -2.139 0 1 HAAF in-vitro CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](N)[C@H]1O 169346102 BIDUPMYXGFNAEJ-SBINSUBFSA-N 405.496 -3.585 0 1 HAAF COC[C@@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@H](NS(C)(=O)=O)CN21 2356857110 SGODCWJWYTTWBH-XGUBFFRZSA-N 402.517 -1.106 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](CO)[C@H]12 95913607 PTPQTMGOUIHFNR-LGGDGBFUSA-N 418.395 -3.011 0 1 HAAF biogenic,in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@]12C 238733706 GWPQGHMAOBGLQY-ODGBNFBZSA-N 402.396 -1.841 0 1 HAAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c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c2nc3cnc(Cl)[nH]c-3n2)O[C@H]1[C@H](O)[C@H](O)CO 587235226 HXBIBFAOEWUQSQ-AVRHJQNXSA-N 417.806 -2.528 0 1 HAAF C[C@H]1C(=O)O[C@H]2C3=C(CO[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C=CC3=C(CO)CC[C@@H]12 238786583 OKFZDVVBDJWAMD-DRASVIMESA-N 424.446 -1.070 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356285120 OMFHKRCSRGUKRK-MYBUGEPTSA-N 406.365 -1.424 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(Cc1ccc(Cl)cc1)c(=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 27106927 HBZCCPFFUYHJGG-NFOTXUCKSA-N 423.813 -1.218 0 1 HAAF CCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238777637 BMRVKYAUKKSGNJ-VGNHIMHRSA-N 412.432 -3.183 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)[C@H](O)[C@@]2(C)O 2356699168 HHDWDLBSGSYIQQ-ABNHRIFVSA-N 422.383 -4.065 0 1 HAAF N=c1ccn([C@H]2C[C@H](O)[C@@H](COCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(O)n1 2356750734 AUKICVAWSKVJRQ-HKCZOMQYSA-N 419.387 -3.493 0 1 HAAF CC(C)[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3924510 KVVRUEXYQYXWIH-RHKHJREBSA-N 408.404 -3.164 0 1 HAAF C[C@H]1O[C@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 84153961 SMUMBCREXHTKFN-OGHQCHDWSA-N 416.423 -2.145 0 1 HAAF biogenic,in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)O[C@H](OC)C[C@H]12 95889732 IZODPOCIKVLNIL-HMKNGOGNSA-N 420.411 -1.770 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](CS(=O)(=O)CC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O 253639270 WEJCSEDKUUEPSC-YYTHCXKUSA-N 414.444 -2.092 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 257441981 IBIPGYWNOBGEMH-INFHMBCLSA-N 414.363 -2.296 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 587824675 CKJASRCTTCTDJF-RUVDKXKYSA-N 424.263 -1.040 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(CO)OC 2356422198 JBBLCGRIZVRWJC-JDFNHDRNSA-N 418.395 -2.604 0 1 HAAF CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@H]2CO)c1O 238739636 BOPNBEMHPYANDR-QSHXVNPLSA-N 402.352 -1.738 0 1 HAAF COc1cc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c2cn1 587235796 ULNLABRVGLQPCN-BPOSEPGKSA-N 412.399 -2.520 0 1 HAAF N=c1[nH]ccc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 1857544948 LOGAWORWPZCZGH-UGKPPGOTSA-N 424.243 -1.200 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CC(C)=O)=CC[C@@H]12 2356363081 GQPCBYJMUDSCJZ-OZTBWKHWSA-N 414.407 -1.242 0 1 HAAF O=C1OC[C@@]2(O)CO[C@@H](O[C@H]3[C@@H](O)[C@@H](O)CO[C@@H]3Oc3ccc(O)c1c3)[C@@H]2O 2356617632 KZFNTLYLMIGDHI-AXHTUTBLSA-N 400.336 -2.147 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 13376357 VLAZYPZGDJXPDY-YNOOJVKMSA-N 402.396 -2.534 0 1 HAAF in-man OC[C@H]1O[C@@H](CNc2nc(NCCN3CCOCC3)nc3[nH]cnc23)[C@@H](O)[C@@H]1O 71296905 FDEJBYMNBUWVJU-OIMNJJJWSA-N 409.447 -2.010 0 1 HAAF C[C@H]1C(=O)O[C@@H]2C[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O 100771991 LMEHVEUFNRJAAV-KDXDVNJDSA-N 424.402 -1.370 0 1 HAAF endogenous,in-man CC(=O)NCC(=O)NCC(=O)N1C[C@H](O)C[C@@H]1C(=O)N[C@@H](CCCCN)C(=O)O 299864750 SAROQPRMEZEAQX-FRRDWIJNSA-N 415.447 -3.101 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@H](O)[C@@H]12 2356640800 RIBQJGUEBPBXHM-MARCXJCJSA-N 406.384 -3.178 0 1 HAAF CC(=O)[C@@]1(O)CC[C@]2(O)[C@]3(O)C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356665354 CXHZQLWHXWSWCF-TZUCITCISA-N 414.495 -1.004 0 1 HAAF NCCCC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O 2356709519 IMAKMJCBYCSMHM-YNEHKIRRSA-N 403.480 -1.509 0 1 HAAF CSC[C@H](N)C(=O)N[C@@H]1[C@H](CO)O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@@H]1O 2356716281 INAIUCSAMKOUMV-BHGHOPASSA-N 411.488 -1.682 0 1 HAAF CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)Cc1no[n+]([O-])c1C(N)=O 49068504 LNBBYSVYUHGJNA-UHFFFAOYSA-N 404.209 -2.380 0 1 HAAF C[C@@H](/C=C/[C@@H]1C(C)(C)C[C@@H](O)[C@@H](O)[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 136515840 FKLUOSPYDPNATQ-OKFFYJQPSA-N 406.472 -1.734 0 1 HAAF NCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 13778009 CBELHQKPOFWOOH-ZDUSSCGKSA-N 406.395 -1.526 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 14859212 VLAZYPZGDJXPDY-XXVSAMMQSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man CCN1CCN(C(=O)N[C@H](C)C(=O)N[C@H]2CN(S(=O)(=O)O)C2=O)C(=O)C1=O 95889717 AGPZWESIPLINSU-SFYZADRCSA-N 405.389 -3.095 0 1 HAAF COc1cc([C@H](O)[C@H](O)CO)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356627077 VIKGCVPVRTWXMM-BWJKDVHWSA-N 406.384 -2.731 0 1 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC=C(C(=O)OC)[C@H]1CC(=O)OC 59586080 BLSKAXDYTCOOKT-RSFCSIANSA-N 418.439 -1.120 0 1 HAAF biogenic,in-vitro O=P(O)(O)OC[C@@H]1O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 109564290 LABSPYBHMPDTEL-AZMVAQJFSA-N 422.276 -5.280 0 1 HAAF N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587224287 YTOREGALSFKYRJ-IONNQARKSA-N 413.412 -1.486 0 1 HAAF C[C@@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]1(C)O 2356421707 RPJREIHZBZFGOB-DCFSPOSHSA-N 404.456 -1.824 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356472416 WQQSIXKPRAUZJL-TYEURLQUSA-N 422.276 -5.279 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356561882 LRRKTNFBBSNZEN-CCNMWVGKSA-N 418.439 -1.824 0 1 HAAF CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 12502968 CDOJPCSDOXYJJF-DEAZIJARSA-N 424.403 -5.110 0 1 HAAF COC(=O)/C=C/C(=O)NC[C@@H](N)C(=O)N[C@H](CNC(=O)/C=C/C(=O)OC)C(=O)O 29416973 GMZICTIETPUELS-BNCPEGEKSA-N 414.371 -3.426 0 1 HAAF CCN(C)c1nc2c(c(=O)[nH]1)[n+](C)cn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O 84671438 NMSZHTPTQRTQNZ-QYVSTXNMSA-O 420.339 -2.266 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@H](OC1=O)[C@@]35[C@H]2O 95607778 KDKROYXEHCYLJQ-HTLGRRBJSA-N 424.402 -1.514 0 1 HAAF O=C(O[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O)c1ccccc1 2356539672 WGYAFONFGRTQCH-PWUOVNNLSA-N 402.352 -2.936 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@](C)(O)CC[C@]12O 136586632 RWMXKBUPLSNIJL-KSZAJPOOSA-N 406.384 -2.892 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 2356492032 VBMPVWBQCYKQHM-GRVXVORFSA-N 416.423 -2.491 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H]1O[C@@]12CO 34545071 JJVJSIBMTMIANL-CCVCSVFYSA-N 404.368 -3.018 0 1 HAAF biogenic,in-vitro OCCCNc1nc(NC[C@@H]2CCCO2)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49089994 NUQUAHKGOQMJBA-CWFLGGNWSA-N 424.458 -1.177 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@]2(O)CO 238735526 BUIDBCJSSFEBDL-PQGHUMCWSA-N 406.384 -3.034 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356439162 GPAACNGMYVWROH-APTRWJSGSA-N 410.460 -1.763 0 1 HAAF OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O 36378640 UPOHPVGZYHVGEA-WKTYNKDSSA-N 402.396 -2.532 0 1 HAAF COc1ccc(/C=C/C(=O)OC[C@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 238763193 IPLHUSAZFXBRMO-NMJVJLHJSA-N 414.407 -1.571 0 1 HAAF CS[C@H](O)[C@@H](OC(=O)[C@H](CS[O])NC(=O)CCC[C@H](N)C(=O)O)C(=O)O 584905713 UPUUOPQOJSZZQH-LOSGYTSQSA-N 413.450 -1.190 0 1 HAAF in-vitro OC[C@H](O)CO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356593975 CPJPQXHWHOMKBP-CDEJVSDRSA-N 416.376 -6.020 0 1 HAAF CC(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356710012 FUUXIPLOLSVADM-FTPCRVEOSA-N 412.388 -4.190 0 1 HAAF O=C(O)[C@H](Cc1ccccc1)NC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 199712216 ZSUFDXUTDVNENX-KLLIRPSPSA-N 405.363 -2.032 0 3 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(O)CO 13660244 XJMPAUZQVRGFRE-SDIAMYLFSA-N 404.368 -3.258 0 1 HAAF CC(=O)OCC1=C2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]2CC1 113796415 SBKHBPAOTDHFBN-MXGUJTDSSA-N 416.379 -1.603 0 1 HAAF O=c1nc(O)ccn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in-man O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 109564295 LABSPYBHMPDTEL-IPMGPSSHSA-N 422.276 -5.280 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)cc1 2356441967 KDEYBHDVXAKYRU-FCSTYLMUSA-N 414.407 -2.028 0 1 HAAF O=C1CC[C@H](Cc2cc(O)c(O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 2356442403 ATYNVCXMADLPJQ-HXMLJCRZSA-N 400.336 -1.383 0 1 HAAF CC(=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O 2356459257 FEGXTMHRTZJSIG-KBYKQWONSA-N 424.443 -3.015 0 1 HAAF C[C@H](O)[C@H](N)C(=O)[C@]1(O)[C@H](O)[C@H](CO)O[C@]1(C(N)=O)n1cnc2c(N)ncnc21 2356805566 ACSCITMNVKPXFS-HIJSWUOASA-N 411.375 -4.693 0 1 HAAF O=C1c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2NC2=N[C@@H](O)CCN12 58650240 KALRENSTRPIBON-UYXSQOIJSA-N 403.288 -1.413 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C[C@@H](O)[C@]12O 238763382 MLTZHVBDDNOQNM-OBFKSNCNSA-N 406.384 -3.036 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)C[C@@]12O 2356432664 IKSXXSBNUQXFLT-ZCCGGRGGSA-N 406.384 -3.036 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@]2(O)CO 2356532674 TZVOANVHPCUBIU-DEBWHDBGSA-N 422.383 -4.064 0 1 HAAF COc1cc([C@@H](O)[C@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356552046 AWSHGBLBAKCDSY-VBWSDDSQSA-N 406.384 -2.380 0 1 HAAF CCCC[C@@H](NC)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 40520001 YYDGPMVJEFGKJC-GXLQLUIVSA-N 414.415 -2.497 0 1 HAAF CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@@]34O[C@H]5OC(=O)[C@H](O)[C@]51[C@@]23C[C@H]1OC(=O)[C@](C)(O)[C@@]14O 40762150 CXKDMDVEHLPRGY-REJWMBNGSA-N 424.402 -1.225 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 257470750 LCIXUGGPLIEEGU-GMEBVZIWSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man O=c1nc(O)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1O 1857602735 PDEGDTTUBZXACY-BUJSFMDZSA-N 402.189 -2.095 0 1 HAAF C[C@@H](O)C=C[C@@]1(O)C(C)(C)[C@@H](O)CC[C@@]1(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356760445 KHIQEGWMYKWUIK-OBWWVALXSA-N 406.472 -1.589 0 1 HAAF CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](CCCCN)C(=O)O 2356874946 ZXGLLNZQSBLQLT-SDDRHHMPSA-N 405.521 -1.485 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@@H]1C(=O)N[C@@H]1CCCNC1=O 25428100 WYEOXGDOZIGDCA-ZIAGYGMSSA-N 409.468 -1.438 0 1 HAAF biogenic CC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)C(=O)O 27332386 ZMIWAKUMMBGJMQ-IMIFBBOLSA-N 424.454 -1.349 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S@@](=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O 29401554 UCALNDAYBFUTCI-UXNYJNEFSA-N 400.417 -2.422 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39828751 HWEINOMSWQSJDC-SRVKXCTJSA-N 415.495 -2.057 0 1 HAAF biogenic CC[C@](C)(O)[C@@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356633326 UKSHFSUBKYPKMO-UAAAQVKHSA-N 416.423 -1.570 0 1 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)OC)[C@@H]1CC(=O)OC 2356774602 BLSKAXDYTCOOKT-VYUTZUOMSA-N 418.439 -1.120 0 1 HAAF CC[C@H](C)[C@@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)O 13375807 GZUZMJQLRANFIY-HKMMKZAXSA-N 401.460 -1.006 0 1 HAAF in-vitro Cc1cn([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(O)nc1=N 1857578236 XQECGNSAGWWUGH-FDDDBJFASA-N 415.232 -1.667 0 1 HAAF COc1cc(CCC(=O)NCCO)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1N 2178319923 LDGDGRGGVNOXMM-SOVHRIKKSA-N 400.428 -2.119 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)C2CCNCC2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1 5433685 HBROVKAIABNXPC-UONOGXRCSA-N 415.516 -2.147 0 1 HAAF biogenic O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@H](O)[C@H](O)[C@@H](O)CO)c2[nH]1 15274296 TXDRHIOQUDLCPV-KWBADKCTSA-N 406.351 -2.779 0 1 HAAF biogenic CC(C)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39796697 VZBIUJURDLFFOE-IHRRRGAJSA-N 424.506 -1.357 0 1 HAAF biogenic CCCCCC(=O)OC[C@H](CO)O[C@@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O 143530434 ZYGJSXWUGHGSCU-BKLCCMMDSA-N 416.445 -1.817 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 257412454 FASIISXZAJLLSP-MCXDRWCJSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356451072 SEZVUDWLTCREHG-PZSZWBGDSA-N 404.368 -2.964 0 1 HAAF CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O[C@H]2CO)c1O 2356529319 BOPNBEMHPYANDR-DKXCJARLSA-N 402.352 -1.738 0 1 HAAF CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C 26391798 BPMCOALHZUTAJK-MHYGZLNHSA-N 415.346 -1.680 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO 587619690 YPWPFLZDPKXXRS-PSBCCAAQSA-N 422.386 -1.479 0 1 HAAF OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](Oc3ccccc3)O[C@H](CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356335781 CXWJIAWZHVBJLG-ADAHDIBOSA-N 418.395 -3.311 0 1 HAAF O=c1nc(O)c(CCC[C@H](O)CO)cn1[C@@H]1C[C@@H](O)[C@H](COP(=O)(O)O)O1 2356342892 DZWBOVINFCXKSX-USZNOCQGSA-N 410.316 -1.618 0 1 HAAF O=C(Cc1ccccc1)[C@@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356743443 COIWSEYSYQONRZ-RNKATDITSA-N 414.407 -2.896 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@H]1[C@H](O)[C@](O)(CO)[C@@H](O)CN1O 14967090 YNVYTCBBBGXDHW-NCBDHNCWSA-N 415.399 -3.650 0 1 HAAF in-vitro N[C@@H](Cc1ccc(O)cc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c1ccc(O[C@@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356563270 VFCCWDAKRDTVDJ-LTUQZUHASA-N 404.412 -2.127 0 1 HAAF OCC(CO)O[C@H]1O[C@@H]([C@@H](O)CO)[C@H](O[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)[C@@H]1O 95911552 MIYYLDCMNHYDID-LEVAGAKFSA-N 416.376 -6.020 0 1 HAAF biogenic,in-vitro CCOC(=O)CNC(=O)[C@@H](CSC(=O)N(C)O)NC(=O)CC[C@H](N)C(=O)O 5729310 GXEXZPUICLZJNX-DTWKUNHWSA-N 408.433 -1.483 0 1 HAAF O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@@]3(CO[P@@](=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1 100755498 BFWUJFNKDUGYMX-OHVCGCLXSA-N 414.200 -1.954 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1OP(=O)(O)O 143849662 MMWCIQZXVOZEGG-PTQMNWPWSA-N 420.093 -3.484 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(O)nc(N)nc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235391 KVVGCSIEPDOFDW-FEKGEJDUSA-N 414.375 -3.846 0 1 HAAF CC(=O)OCC1=C2[C@H](CC1)C(C(=O)O)=CO[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356412516 SBKHBPAOTDHFBN-QXOTWICFSA-N 416.379 -1.603 0 1 HAAF CC(=O)OC[C@H]1O[C@H](OC[C@@H](O)CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356487904 QQMKBKAGKNLWMX-NEXGVSGLSA-N 422.383 -1.561 0 1 HAAF CCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 2356696486 BMRVKYAUKKSGNJ-LFTDSYAHSA-N 412.432 -3.183 0 1 HAAF CSC[C@H](N)C(=O)N[C@H]1[C@H](O)[C@@H](n2cnc3c(N(C)C)ncnc32)O[C@H]1CO 2356716282 INAIUCSAMKOUMV-FAQRTLHZSA-N 411.488 -1.682 0 1 HAAF C[C@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@H](C(=O)O)N(C)C(=O)[C@H](N)Cc1c[nH]cn1 60183931 LMUHIYQHLMCRNZ-GSVCSZOMSA-N 407.431 -1.412 0 1 HAAF in-vitro C[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)[C@H](O)[C@H](O)C[C@](C)(O)[C@@H]3C[C@@H]3OC(=O)[C@H](O)[C@@]1(O)[C@@]32C 2356348701 BILZREJNQHDKIP-PDYDGYDGSA-N 416.467 -2.100 0 1 HAAF CC1=C2C[C@H]3OC(=O)[C@H](O)[C@@]4(O)[C@@H](C)[C@]5(O)C(=O)OC[C@]34[C@@H]5[C@@]2(C)[C@H](O)[C@@H](O)C1 299835485 WTELTUSRXDOCFZ-MQVIDGKISA-N 410.419 -1.604 0 1 HAAF CCCC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2356427383 YDNJAFJOMNMVCI-XTZVUENKSA-N 424.443 -3.017 0 1 HAAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(=O)N4CCOCC4)[C@@H](O)[C@@H]3O2)cn1 2356293131 CGZPXYMUZQXMPB-KCEFYPGHSA-N 423.470 -1.246 0 1 HAAF COc1cc([C@H](O)[C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356413362 AAZJIDQNEUWCEO-LPNOPGGHSA-N 406.384 -2.380 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)N[C@@H](CC(C)C)C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 95594159 ZTOQTCXWHYVWLD-PAUVFPHUSA-N 403.432 -2.569 0 1 HAAF CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 12502974 CDOJPCSDOXYJJF-QJHLKIKNSA-N 424.403 -5.110 0 1 HAAF CSCC[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48999645 HONUZWQJZRNDFE-XAZVMGMGSA-N 418.428 -3.194 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356599166 PPIXDGFHKZNFOD-POCLVMIFSA-N 412.432 -3.327 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17196553 SFEJDVWRGQKIIY-LKHGXXSUSA-N 408.152 -1.477 0 1 HAAF CN(CC(=O)O)C(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)C(F)(F)F)[C@H]2S(=O)(=O)C1(C)C 26390424 BPMCOALHZUTAJK-MATHAZKKSA-N 415.346 -1.680 0 1 HAAF N=c1nc(O)n([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F 1857543232 LEQVBAOHPDUTSS-JXOAFFINSA-N 419.195 -1.836 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H]5CO[C@@]4(C[C@]31O)C(=O)N5C)O[C@@H](C)C(C)(C)C2=O 2356635897 OCOGVDWCHPHWSN-ICRSNALTSA-N 422.434 -1.026 0 1 HAAF Nc1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)c(=O)n1 53683576 ZWIADYZPOWUWEW-ZAKLUEHWSA-N 403.177 -2.329 0 1 HAAF in-vivo COC(=O)C[C@@H](C)C(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356620631 ZVFWDSLLUZMSDS-UXIUGRIOSA-N 400.380 -1.047 0 1 HAAF CC(=O)O[C@@]12COC=C[C@@]1(O)[C@H](O)C[C@]2(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356751394 BHHBWNXFHDILDX-DQWVQOPOSA-N 406.384 -3.097 0 1 HAAF CC(=O)c1sc2c(c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c2ccc(F)c(Br)c2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587831024 VJGXFLDVRZQQRX-HYOCHKAKSA-N 424.263 -1.040 0 1 HAAF COc1cc([C@H](O)[C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356413361 AAZJIDQNEUWCEO-HYIYRXJKSA-N 406.384 -2.380 0 1 HAAF CO[C@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CO)CS[C@H]21 14589479 NLRQZPPGJODQAH-UKXDHYTESA-N 403.413 -1.726 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C(=O)OC)CC[C@H]12 238779400 KVSFLKZCIIGPEC-SVEKQWPTSA-N 418.395 -1.969 0 1 HAAF Cc1c(F)ccc2c1[C@H]([C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O)NCC2 962301420 RUBQIYFBSOFBFK-QZCKQTAOSA-N 417.430 -2.141 0 1 HAAF O=C(O)CC[C@H](NC(=O)C[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@H]1O)C(=O)O 2356590684 YEJAMBXFPICSSO-RMFKHWEHSA-N 401.328 -2.608 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H]1OP(=O)(O)O 96030838 GKDKOMAJZATYAY-KNBDEEDGSA-N 420.093 -3.484 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(O)CO 238776247 YEOAKYNPUWNNOB-KDYWOABDSA-N 408.356 -4.152 0 1 HAAF CC1=C2C[C@@H]3[C@](C)(C=C2OC1=O)[C@H]1C[C@H]1[C@]3(O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356755669 HCKVSBCCVCMKKB-JSASHZLUSA-N 424.446 -1.033 0 1 HAAF NC=C(N)NCCCC[C@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN 2356647950 JBVZQDJNGFOSNX-KSSFIOAISA-N 417.555 -2.517 0 1 HAAF CC(=O)NC[C@H](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O 169339551 DQKXWRBTENXARX-TWBCTODHSA-N 416.331 -1.900 0 1 HAAF O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OP)O[C@H]2C(=O)O)[C@H](O)[C@@H](O)[C@@H]1P 261495867 FHVDTGUDJYJELY-KDGALUIESA-N 418.228 -3.515 0 1 HAAF endogenous,in-man CSCC[C@H](N)C(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356742104 SBSIKVMCCJUCBZ-IVZWLZJFSA-N 419.508 -2.740 0 1 HAAF CC[C@@H](O)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49114576 YCQZTQARINCVLK-JCOUJZNQSA-N 402.360 -4.177 0 1 HAAF OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 523042400 ONUWJUACWORIMJ-WSRGYXCDSA-N 402.396 -2.534 0 1 HAAF biogenic Cc1cc(N)c2c(c1)C(=O)C[C@@]1(CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)NC1=O)O2 587396626 UYHSTZRGTLOOMY-GGHLZVKVSA-N 407.379 -1.728 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356380569 KPVLDYMZFUPBJG-POKKJQLPSA-N 414.363 -1.080 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@@H]1CC(=O)O 2356399795 GXXBBPZLNJMTDC-WPAXHRHISA-N 420.367 -2.774 0 1 HAAF O=C1CCC=C[C@]1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356520176 CZDNLUMNELLDDD-AHPGETRFSA-N 424.402 -1.441 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H]2O)[C@H](O)[C@H]1O 2356766062 HNKQGVAGEKCKSR-JGALXBMKSA-N 414.360 -5.656 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](P)[C@@H](O)[C@H]1O 2356574574 FHVDTGUDJYJELY-UMVNXDCOSA-N 418.228 -3.515 0 1 HAAF CCCCN1[C@H](CO)[C@H](O)[C@H](O)[C@H](O)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606326 LMSOOPJUZDCJRQ-DHBZVRPLSA-N 411.448 -4.269 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@H](O)[C@@]12O 2356631700 LGTHGFVYOAZGBN-CIABLTHTSA-N 422.383 -4.065 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2ccccc2)C(N)=O)C[C@H](O)[C@@H]1O 2356847326 OVYJPEIBIMXVNU-OFGYBXGMSA-N 404.467 -1.656 0 1 HAAF Nc1ncnc2c1nc(NCCCP(=O)(O)O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 40411925 AGZDWDUZVPVAMI-WOUKDFQISA-N 404.320 -2.000 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257476677 LRRKTNFBBSNZEN-QFFBVBKJSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man O=P(O)(O)OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356344118 ZKSTYMJGEHZSFH-XQQGDFRWSA-N 415.332 -4.460 0 1 HAAF O[C@@H]1[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O 13660143 WOGBNISMMIOPAZ-NYEYPAATSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man O=P(O)(O)O[C@H]1[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 64633945 UJXBXUSHOWRLIG-PUZXXAHOSA-N 422.276 -5.893 0 1 HAAF in-vitro OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 100827402 FASIISXZAJLLSP-KMSRPLDFSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@]2(C)O 2356670545 SCXMMKUKDINSDI-GBLNMUMPSA-N 404.412 -2.577 0 1 HAAF Cc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)occc1=O 2356812944 CBJAQHYTVQOHMO-OBLZCIEQSA-N 420.367 -3.408 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)C[C@@H](N)C(N)=O)[C@H]1Cc2cccc(O)c2C(=O)O1 1853675 LNIUBVSXHPTWQQ-CSDUCGJJSA-N 423.466 -1.071 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(O)CO 13660239 XJMPAUZQVRGFRE-GANWMONBSA-N 404.368 -3.258 0 1 HAAF CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@H](NC(=O)CCN)[C@@H](O)[C@@H](O)C1)C(N)=O 25428611 VPQMHHFQWPVPSC-MRBYEJRBSA-N 406.461 -3.723 0 1 HAAF biogenic O=P(O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1F 28758955 DQKWTOBKSULEKU-VLFADPLGSA-N 422.084 -2.506 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](N)CC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39799911 OLISTMZJGQUOGS-WYFGTUCQSA-N 401.468 -2.447 0 1 HAAF biogenic C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O 95607777 KDKROYXEHCYLJQ-OHKSXNCLSA-N 424.402 -1.514 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 104872202 LABSPYBHMPDTEL-RXANNERDSA-N 422.276 -5.280 0 1 HAAF CNC(=O)CCCCO[C@]1(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1 40475015 MZXVATPDYBSKIH-JZZVEQMMSA-N 422.431 -2.931 0 1 HAAF CN1C[C@@H](SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@@H](O)[C@@H]2O)C[C@H]1C(=O)O 62178681 IEBDFAUMOQPAOE-QTEKXYRRSA-N 410.456 -1.082 0 1 HAAF CSCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C(=O)O 85808410 OGZNUDJBIAOLAA-IVZWLZJFSA-N 407.445 -1.149 0 1 HAAF in-man CC(C)[C@@H]1C[C@H](O)[C@@H]2[C@@H](O)CC[C@@](C)(O)[C@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356465912 LMIQUJRQXXTHNG-SECNCHFOSA-N 420.499 -1.654 0 1 HAAF Oc1ccccc1CO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356518975 JDCZPTGZKIDCQI-AUMCYONUSA-N 418.395 -2.828 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356650885 UWKRNCNWJVCHGZ-LLFSYZKYSA-N 416.423 -2.490 0 1 HAAF C[C@H](O)[C@H](NC(=O)[C@@H](N)CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 31720620 MOGMYRUNTKYZFB-MXAVVETBSA-N 422.486 -1.955 0 1 HAAF biogenic NCCCC[C@H](N)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O 39820447 IMAKMJCBYCSMHM-XQQFMLRXSA-N 403.480 -1.509 0 1 HAAF biogenic CC(C)(O)[C@@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2ccccc21 73168122 QKHYSKWZRQYVRE-JYHHGOMKSA-N 413.423 -2.457 0 1 HAAF in-vitro O[C@H]1O[C@H](CO[C@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 255219733 ILEPOIYJHJQWCK-QXPCJYNVSA-N 414.360 -5.656 0 1 HAAF CC[C@H](O)CC[C@H](C)O[C@H]1O[C@H](COC(=O)[C@@](O)(CC)[C@@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O 2356583516 WCDGAIFTRLPECT-BAWBGSGMSA-N 424.487 -1.185 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356752956 ITPHOIFCAFNCLL-AYDOOXOSSA-N 422.276 -5.280 0 1 HAAF CC(=O)O[C@@]1(C)[C@@H](O)[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356754315 VVAKCWWARZTARU-TYHXKSAUSA-N 406.384 -3.038 0 1 HAAF C[C@H](O)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 13372531 MOGMYRUNTKYZFB-ATGSNQNLSA-N 422.486 -1.745 0 1 HAAF biogenic N[C@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 40520385 RHUZQIJSAKZPDO-FUHDGFEASA-N 419.109 -3.517 0 1 HAAF O=Cc1cn([C@@H]2O[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@@H]2O)c(O)n1 2356593082 WTBZLHVWKJDNBL-JVRMSLSOSA-N 401.328 -2.155 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](N)CCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 2356627926 ANAHQDPQQBDOBM-KFWWJZLASA-N 422.486 -1.155 0 1 HAAF C/C=C1\[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 14617963 KYVUMEGNMQDSHO-BVNICJHYSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 86005476 FASIISXZAJLLSP-CVQNRZPRSA-N 414.360 -5.656 0 1 HAAF in-man CCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 2356696485 BMRVKYAUKKSGNJ-FEQHQGNOSA-N 412.432 -3.183 0 1 HAAF CS(=O)(=O)NC[C@@H]1O[C@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)[C@H](O)[C@@H]1O 2356824327 KUDUFXFASVYIGB-OSRSDYAFSA-N 415.492 -2.278 0 1 HAAF CN1CCN([C@@H]2[C@H](CNS(=O)(=O)c3ccc(F)cc3)O[C@@H](CO)[C@H]2O)CC1 2356845989 OJKRWVFHSSAVDG-MWDXBVQZSA-N 403.476 -1.159 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@@H]2C(C)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 238754181 IXJKAIYQDPLVQL-XPHSJGKJSA-N 404.412 -1.618 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)nc(C)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235221 HTAKBGTVBAAEDS-BDSWSSESSA-N 410.427 -1.912 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)C[C@@H](O)[C@@]12O 2356510061 MLTZHVBDDNOQNM-RARGQPMTSA-N 406.384 -3.036 0 1 HAAF O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H]([C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356710422 DENGNXBHVRIEBZ-ZDNLTBLCSA-N 400.333 -5.552 0 1 HAAF CC(=O)O[C@@]1(C)[C@@H](O)[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 255274151 VVAKCWWARZTARU-UWPLHSLUSA-N 406.384 -3.038 0 1 HAAF C=CC(=CNC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O)CO 2356747411 PYEDMQSECHECBB-PWVXROSUSA-N 406.388 -4.240 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)O 66114588 LWAFQPNXVVSTEM-WKLONVCASA-N 417.463 -2.825 0 1 HAAF NS(=O)(=O)c1ccc(NC(=S)N[C@@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(F)c1 28826323 GKFNQSJQCXICPM-IYKVGLELSA-N 411.433 -2.441 0 1 HAAF Nc1ncnc2c1ncn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c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO 2356392984 WEDHAYWWGPSQDM-CIYDNKFOSA-N 418.395 -2.523 0 1 HAAF Cc1sc2c(c1C)CCN[C@@H]2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 963011225 OQFJGNHNEHOTHT-HNBBBOEGSA-N 419.496 -1.910 0 1 HAAF O=C(CC[C@@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356345880 COBSRKLPDWFDCG-FAAISQAJSA-N 402.352 -1.783 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O)C(=O)O 2356826814 HKOVMJGGVHCEHW-QTEBQJRLSA-N 406.476 -1.592 0 1 HAAF NC(=O)c1ccc[n+](C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1 13585249 FSAYHTLBOLVRDW-MJBXVCDLSA-O 417.446 -2.687 0 1 HAAF O=C(O)c1cc(O[C@@H](C(=O)O)P(=O)(O)O)c(O)c(C(O)(C(=O)O)C(=O)O)c1 26733870 WNCBGKJMSWDKGE-SECBINFHSA-N 410.180 -1.586 0 1 HAAF Nc1nc(OCC(=O)O)c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2n1 98208727 HZVGFAJHLDXTMX-RRKCRQDMSA-N 405.260 -1.370 0 1 HAAF in-vitro O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](F)[C@@H]1OP(=O)(O)O 299811543 DQKWTOBKSULEKU-PQRKRRIQSA-N 422.084 -2.506 0 1 HAAF O=c1nc(O)ccn1[C@@H]1[C@H](O)[C@H](O)[C@]2(CO[P@](=O)(O)OP(=O)(O)O)C[C@H]12 253635037 BFWUJFNKDUGYMX-WXSNSHKHSA-N 414.200 -1.542 0 1 HAAF O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 31393852 LHASLBSEALHFGO-URARBOGNSA-N 420.371 -4.506 0 1 HAAF in-vitro O=C1NC(=O)[C@@H]2C[C@@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@H]2N1 618014424 YHXFGKZEEPXONW-BZPMIXESSA-N 405.440 -1.170 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356397067 FPMURYWLAWHLRF-OTVYUZCLSA-N 404.368 -2.964 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](C(=O)c3ccco3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356416159 KAXDLRWJSRWBER-RREWPOIDSA-N 404.368 -2.844 0 1 HAAF O=C(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356734181 XCYNBEZJSJGJGO-SBEPVYOFSA-N 416.379 -2.893 0 1 HAAF NC(=O)[C@H](Cc1cccs1)NC(=O)C1=C[C@H](NC(=O)[C@@H]2CCCN2)[C@H](O)[C@@H](O)C1 2356834483 KBOLWGWIVBOMOK-QXKUPLGCSA-N 422.507 -1.451 0 1 HAAF COc1ccc(-c2nc3c(=O)nc(N)[nH]c(=O)c3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 28650369 NYZJYQSCBCPHIT-DMEFTLKTSA-N 417.378 -1.651 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356392227 UPOHPVGZYHVGEA-LDFUESSSSA-N 402.396 -2.532 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]3O[C@H](C[C@@H]12)O[C@H]3O 2356451731 PSTHWEAXBIXPRZ-SXEHFJBNSA-N 420.367 -3.088 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 38664847 LABSPYBHMPDTEL-HUAAKAGHSA-N 422.276 -5.280 0 1 HAAF in-vitro,metabolite COC(=O)[C@@H]1[C@H]2OC[C@]3(O)C=C[C@@H]1[C@@H]3[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O2 2356689777 YFEOPJWHUMIDGW-ZOUULDEMSA-N 404.368 -3.162 0 1 HAAF CC(C)[C@H](C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)[C@@H]1O 2356870741 XUGDTGJBUKGWNF-JRIKOQNPSA-N 410.416 -2.915 0 1 HAAF CCOC(=O)Cn1cc(CN2[C@@H](C(=O)OC)CN(CCO)CCS2(=O)=O)nn1 96019856 YMHRKRXUUDROLQ-CYBMUJFWSA-N 419.460 -2.178 0 3 HAAF O=c1nc(O)c(CCC[C@H](O)CO)cn1[C@@H]1C[C@@H](O)[C@@H](COP(=O)(O)O)O1 2356342891 DZWBOVINFCXKSX-QCNOEVLYSA-N 410.316 -1.618 0 1 HAAF CC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]1[C@@H]32 2356408343 COUXBBBIXWWAEP-YMHJWNFGSA-N 414.363 -2.296 0 1 HAAF COCCN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCN(CCO)CC4)ncnc32)C1 61907942 RRXBZOYOJBVBSN-JKSUJKDBSA-N 421.502 -1.221 0 3 HAAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 587616608 KWUSOKWHHHTOJV-MNPJXHCZSA-N 422.386 -1.481 0 1 HAAF CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)c2ccccc21 2356651527 QKHYSKWZRQYVRE-ZKLRUQAVSA-N 413.423 -2.457 0 1 HAAF Nc1ncnc2c1ncn2[C@@H](CO)O[C@@H](CO)C[S@@](=O)CC[C@@H](N)C(=O)O 169318009 FSSFRDONUPDVRP-HVYUGSGOSA-N 402.433 -2.172 0 1 HAAF CC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]1[C@H]32 2356408341 COUXBBBIXWWAEP-RKIWUDRISA-N 414.363 -2.296 0 1 HAAF C[C@H](NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](CC(=O)O)C(N)=O 621478368 PRZUMERSFPOKAH-AATLWQCWSA-N 415.403 -3.353 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356392228 UPOHPVGZYHVGEA-ZLULVEPSSA-N 402.396 -2.532 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C(=O)O 2356459153 APGVKQBABWXTCS-BUHJFWCLSA-N 420.367 -3.086 0 1 HAAF O=C(OCc1occc(=O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1 2356509216 HYWSNBPSCBWSHZ-MFDZDQDISA-N 424.358 -1.119 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356520197 DSDFXGQRZAFFQA-DNDJXCCISA-N 416.379 -2.859 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@]2(O)C(=O)O 2356540955 MLZKYGRNLPVMHX-FFCOTJPGSA-N 418.351 -3.166 0 1 HAAF OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O 2356595362 DLKZWXIGNSGWCS-TUXPFSRYSA-N 416.376 -6.020 0 1 HAAF O=C(O)COCC(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@H](OCC4CC4)CN3C(=O)[C@@H]2C1 2356809022 AMRDVQXDLSPJTO-QPSCCSFWSA-N 409.439 -1.027 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](OC)C[C@@H]12 95889734 IZODPOCIKVLNIL-PRGORKKSSA-N 420.411 -1.770 0 1 HAAF CO[C@@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)[C@H]1O 27078554 BIDUPMYXGFNAEJ-FUXSWRQPSA-N 405.496 -3.585 0 1 HAAF C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c(N)nc(-n3cc([Si](C)(C)C)nn3)nc21 195503529 RFHQFZPZUATYRZ-QJTRIRGNSA-N 420.506 -1.464 0 1 HAAF CC(C)[C@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39810497 GVJUTBOZZBTBIG-AVGNSLFASA-N 401.512 -1.584 0 1 HAAF biogenic CSCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48999643 HONUZWQJZRNDFE-CKSRTXMFSA-N 418.428 -3.194 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O 145097840 GGBYVYDNNBAHOS-XNIJJKJLSA-N 403.395 -1.097 0 1 HAAF CC(=O)OC[C@H]1O[C@@H](N2C=N[C@@H]3C(=O)N=C(N)N=C32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 169320392 TTZKICPWFKCOKP-NVGYGPBWSA-N 409.355 -1.896 0 1 HAAF COc1ccc(C[C@H](NC(=O)[C@]2(O)C[C@H](O)[C@@H](O)[C@@H](NC(C)=O)C2)C(N)=O)cc1 2356484806 IRSWYQVPCMHTQR-SIBFUHKCSA-N 409.439 -2.041 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O 101842128 SQOJOAFXDQDRGF-OPYGQJTNSA-N 424.402 -1.370 0 3 HAAF CN[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)[C@H](C)N[C@@H](Cc1c[nH]cn1)C(=O)O 38797610 LUOBEJSTJAVJPL-VZLIPTOUSA-N 407.431 -1.493 0 1 HAAF biogenic Nc1ccn([C@@H]2O[C@H](CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@@H]2O)c(=O)n1 38938771 OEFHJRRFNBSMIJ-DHJLESSHSA-N 405.360 -4.739 0 1 HAAF COc1cc([C@@H]2OC[C@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)OC[C@@H]32)ccc1O 2356347321 GGKZZQZVFIZFKS-OQEVVXCVSA-N 414.407 -1.123 0 1 HAAF COC[C@H]1O[C@H](O[C@H](C)[C@@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)[C@@H](O)[C@H](O)[C@H]1O 2356715014 CARGJJGBCUDXAL-JLNYYTMWSA-N 413.387 -2.570 0 1 HAAF N=C(N)c1cccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)c1 13777972 ZJRKQANDHQNFRT-LBPRGKRZSA-N 419.394 -1.701 0 1 HAAF CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](C(=O)O)O[C@H]1O[C@H]1[C@H](O)[C@@H](C)O[C@@H](O)[C@@H]1NC(C)=O 64633710 XYZHKJQHXUZGSK-LSPKUFJZSA-N 422.387 -3.990 0 1 HAAF in-vitro C[C@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587831057 VOKDGFRITJDRMO-FSZWOONZSA-N 424.263 -1.254 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356472415 WQQSIXKPRAUZJL-NQDOVTBYSA-N 422.276 -5.279 0 1 HAAF O=C(c1cc(O)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1c(O)cc(O)cc1O 2356495739 CLNBEVGRQDBTGN-HWDJUHOGSA-N 424.358 -1.081 0 1 HAAF CO[C@@]1(NC(=O)[C@@H](C)NC(=O)CC[C@H](N)C(=O)O)C(=O)N(S(=O)(=O)O)[C@@H]1C 13368695 KBXJJUKRJUEIMJ-DDBMDHPHSA-N 410.405 -2.824 0 1 HAAF Nc1nc(=O)n([C@@H]2O[C@H]([C@H](O)CP(=O)(O)O)[C@@H](O)[C@H]2O)cc1-c1ccccc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n2cc(CN3CCS(=O)(=O)CC3)nn2)[C@H](O)[C@@H]1O 2356290493 UWRPZULVXGRPTQ-XABYNWHXSA-N 417.488 -2.619 0 1 HAAF C[C@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356478240 WMYNFWZLMQEVTL-LHZDXPMHSA-N 416.423 -2.145 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](C(C)=O)[C@H]1CCO 2356647918 ZHZLKLUSFUQKQE-FFDIVYBYSA-N 406.384 -2.580 0 1 HAAF Cc1ccc(NC(=O)N[C@@H]2C=C(C(=O)N[C@H](CC(=O)O)C(N)=O)C[C@H](O)[C@H]2O)cc1 2356809619 AROXAAJJSQDYKL-NYTXWWLZSA-N 420.422 -1.018 0 1 HAAF CCOc1cn(CC(=O)N[C@@H]2[C@@H](O)C=C(C(=O)O)O[C@H]2[C@H](O)[C@H](O)CO)nn1 64540915 RSEPRLRXRCRRLM-YOLTXAATSA-N 402.360 -3.396 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 96095031 OAIGZYFGCNNVIE-ZPFDUUQYSA-N 400.432 -1.491 0 1 HAAF in-vitro C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)cc1 14829583 DZMYOBBWRZTUTA-AHQZEJRJSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]3CO[C@@H](C[C@H]12)O3 238732951 FDMHZAVPZJENRB-UYPBNMMMSA-N 404.368 -2.406 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5C[C@H](C(C)(C)CO)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@]12O 2356624811 PMHYHZBGMYBWAJ-NYBAJZIASA-N 424.402 -1.368 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C(C)=O)[C@@H]1CCO 2356647921 ZHZLKLUSFUQKQE-PVJUANGGSA-N 406.384 -2.580 0 1 HAAF CC1=C2C[C@@H]3[C@](C)(C=C2OC1=O)[C@@H]1C[C@H]1[C@]3(O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356755671 HCKVSBCCVCMKKB-YXWSFASBSA-N 424.446 -1.033 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O 34311305 KAHUBGWSIQNZQQ-ILXRZTDVSA-N 407.471 -1.385 0 1 HAAF biogenic OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)CO[C@@H](O)[C@H]2O)[C@H](O)[C@@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 86005469 FASIISXZAJLLSP-RUOLNJRTSA-N 414.360 -5.656 0 1 HAAF in-man CCCCCC(=O)O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356410071 AMVRNAAKLTUFDK-CQVXDVQWSA-N 410.416 -2.627 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@H](O)[C@]12O 2356607120 QFXBACSTYFPXFG-RYPDKBFBSA-N 422.383 -4.064 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 13548449 VLAZYPZGDJXPDY-JRMMIJPGSA-N 402.396 -2.534 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)OCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 28814982 OZAWJTGBWLTNPL-MQYQWHSLSA-N 414.396 -2.106 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587828792 VJGXFLDVRZQQRX-MYZXAZJLSA-N 424.263 -1.040 0 1 HAAF Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F 1857599504 MMXDILQQJLNYAP-PLWWYIFASA-N 414.322 -1.174 0 1 HAAF OC[C@H]1OC[C@@H](O[C@H]2O[C@H](COCc3ccccc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c1ccccc1 2356440901 VJWJBEKMAHGPHV-MNZGWWOUSA-N 416.379 -2.893 0 1 HAAF O=c1ccn(C[C@@H]2O[C@H](CO[P@](=O)(O)CCN3CCCC3)[C@@H](O)[C@H]2O)c(=O)[nH]1 28817063 LIHZVEBMLRACTD-MYZSUADSSA-N 419.371 -1.676 0 1 HAAF COC(=O)/C=C/C(=O)NC[C@H](NC(=O)[C@@H](CCSC)NC(=O)[C@H](C)N)C(=O)O 40609321 GBHZQDLNYQQBAS-ASBRAAOASA-N 418.472 -2.014 0 1 HAAF C[C@H](NC(=O)Cn1ccc(=O)[nH]c1=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 40766828 UOJHMFXJVCRCFW-GWCFXTLKSA-N 404.379 -1.441 0 1 HAAF CC[C@@H](O)c1ccc(O[C@@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c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biogenic CC(=O)N[C@H]1[C@@H](O[C@H](C)[C@@H]2NC(=O)[C@H](CC(=O)O)NC2=O)O[C@H](CO)[C@H](O)[C@@H]1O 95605904 WVTSDVWLEHGRAU-NDQIWNFKSA-N 419.387 -4.207 0 1 HAAF COc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc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c1ccn([C@@H]2O[C@@]3(CO[P@](=O)(O)OP(=O)(O)O)C[C@H]3[C@H]2O)c(=O)[nH]1 84597559 ZLUCOKRIVUUPSQ-LJHRJBCISA-N 400.173 -1.589 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)C[C@@H](O)[C@H]12 238747115 RIBQJGUEBPBXHM-WHJSOQRSSA-N 406.384 -3.178 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356465356 ONUWJUACWORIMJ-AUMCYONUSA-N 402.396 -2.534 0 1 HAAF CC(C)C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@]23[C@H](O)[C@@H]1OC(=O)[C@H](C)[C@@H]14 2356781864 CBAUUWCEZZNYTD-GLWUXSJRSA-N 424.402 -1.514 0 1 HAAF COC(=O)[C@H](CC(C)C)NC(=O)CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 169304522 QNTPIBSDWTWVKW-IQVWLFHZSA-N 413.427 -1.360 0 3 HAAF O=c1nc(O)c(F)cn1[C@@H]1O[C@H](CO[P@](=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]1O 473086659 BYXWFBABSNYQJI-UAKXSSHOSA-N 422.236 -2.356 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O 2356406502 YHDAKZKWAOSYLU-YRCYKQRXSA-N 420.367 -3.408 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](O)[C@H](O)C[C@H](N)C(N)=O)[C@H]1Cc2cccc(O)c2C(=O)O1 5441771 LNIUBVSXHPTWQQ-AIOUOQGWSA-N 423.466 -1.071 0 1 HAAF biogenic O=c1ccn([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 12503613 XCCTYIAWTASOJW-GVYWOMJSSA-N 404.161 -2.618 0 1 HAAF N[C@@H](Cn1cc(I)c(=O)n(CCc2nnn[nH]2)c1=O)C(=O)O 13686092 GPDSXOXHAZVQJE-LURJTMIESA-N 421.155 -2.218 0 1 HAAF C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 35456947 MOCRJZJERZYGCF-MYHSYATJSA-N 406.472 -1.732 0 1 HAAF Nc1ncnc2c1ncn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c1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356520199 DSDFXGQRZAFFQA-YAMKDACZSA-N 416.379 -2.859 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O)C(=O)O 2356826812 HKOVMJGGVHCEHW-HRGQZSGWSA-N 406.476 -1.592 0 1 HAAF N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 238769848 HCTYLNCBYPOWBY-GPBPJDAPSA-N 416.343 -4.083 0 1 HAAF COC(=O)C1=C2C[C@@H](O)[C@H](C)[C@H]2[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H]1OC 2356389298 PSQQPRMLISSRFV-JKMWRRJFSA-N 420.411 -2.382 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356647315 IBOBEERRSJXQNF-SXLJVCLBSA-N 414.360 -5.656 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C[C@]34[C@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@H]5O)[C@]21O 104907769 LMEHVEUFNRJAAV-ASLVUXPSSA-N 424.402 -1.370 0 1 HAAF O[C@H]1[C@H](O)CO[C@@H](OC[C@H]2O[C@H](OC=C3CCC4CC3C4)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356373114 SBEAYYBOUQWTHI-WOLQUSBISA-N 418.439 -2.030 0 1 HAAF COc1cc(C[C@H]2CCC(=O)O2)cc(O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356380568 KPVLDYMZFUPBJG-OFYOBWFRSA-N 414.363 -1.080 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356437602 ZMVYDQYHQHSHAJ-AIMUHTPGSA-N 418.395 -2.577 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356442774 OXNYNKGAOAFFBD-ARJGBAAGSA-N 420.367 -3.408 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356477107 WYSRAMKKFNDRPR-UXCAXZQLSA-N 400.380 -1.874 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@H]1O 13409235 OMFHKRCSRGUKRK-FIZYAPLJSA-N 406.365 -1.424 0 1 HAAF in-man CSCC[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48999641 HONUZWQJZRNDFE-VKNPKHSOSA-N 418.428 -3.194 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@@H](O/C=C3\CCC4CC3C4)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 95914405 SBEAYYBOUQWTHI-VVSZALFISA-N 418.439 -2.030 0 1 HAAF biogenic,in-vitro C/C=C1\[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)O 86030233 XSCVKBFEPYGZSL-FPIUBBLVSA-N 404.368 -1.747 0 1 HAAF in-man C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)C[C@@]1(C)O 86031743 SGUOENJPMRQEMJ-HUSNBHEASA-N 406.472 -1.589 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](C)C[C@]2(C)O 2356431323 LKEDDJNDLLFHTN-PNFJEBQISA-N 404.412 -1.761 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(Cc1ccc(Cl)cc1)c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27106929 HBZCCPFFUYHJGG-SDBHATRESA-N 423.813 -1.218 0 1 HAAF CCCCCC(=O)O[C@@H]1[C@@H](OC[C@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@H](O)[C@H]1O 2356305133 OPVUPFDYAYSUFH-GMKBBOLHSA-N 424.443 -1.781 0 1 HAAF C=CC(=CNC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O)CO 2356747410 PYEDMQSECHECBB-KNVAQDNPSA-N 406.388 -4.240 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@]2(O)CO 2356665212 YEOAKYNPUWNNOB-AQSPWWTPSA-N 408.356 -4.152 0 1 HAAF CC(=O)OC[C@@H](CO[C@H]1O[C@H](CS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(C)=O 49793776 QYDUPKWHIDQOGZ-NGFXDRFKSA-N 402.374 -2.807 0 1 HAAF CO[C@H]1C=C(CO)[C@@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@H]12 85529972 UGWIKFJKKFUZBT-MENQLARSSA-N 404.368 -2.693 0 1 HAAF biogenic,in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(N)c(N)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235058 DXSDLLDGWSNHMD-CXECBNLGSA-N 411.415 -2.759 0 1 HAAF O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356345540 UJXBXUSHOWRLIG-FKJJURBASA-N 422.276 -5.893 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]2(O)[C@@H](C)CC(=O)[C@@]12O 2356384259 NCWNKJPLFYBFLX-GHISRSRNSA-N 420.367 -3.713 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356465357 ONUWJUACWORIMJ-DMSDKGEZSA-N 402.396 -2.534 0 1 HAAF CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 12502972 CDOJPCSDOXYJJF-ASHJKAHOSA-N 424.403 -5.110 0 1 HAAF CCCC[C@H](NC)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 40519998 YYDGPMVJEFGKJC-LPGYXAIWSA-N 414.415 -2.497 0 1 HAAF CCCCO[C@@H]1C[C@H]2[C@H](O)C=C(CO)[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O1 238750871 JLNVQROWZIIJAE-KOTCMXHUSA-N 420.455 -1.782 0 1 HAAF C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2[C@H](O)[C@H]3[C@@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@@H]4CO 2356335123 TYUSHSMNEUZGNO-VKBSZYIQSA-N 410.419 -1.038 0 1 HAAF OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](OCc3ccccc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biogenic,in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cccc(Cl)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587234812 AFSUHNQYASSZFZ-BPOSEPGKSA-N 415.830 -1.270 0 1 HAAF NCCCCN[C@@H](CCN)CC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49015896 QWWYIMOIEWLIOP-RHRATHSCSA-N 408.507 -1.146 0 1 HAAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 238770893 UOVCYPNTMQKFJE-NWQIESHVSA-N 418.395 -2.657 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CCC(=O)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356628500 VSRCAOIHMGCIJK-TUAOUCFPSA-N 416.479 -1.458 0 1 HAAF C/C=C1\[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 14617960 KYVUMEGNMQDSHO-GEAZQKMWSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man CNC(=O)CCCCO[C@]1(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1 26840164 MZXVATPDYBSKIH-UKGLLXJRSA-N 422.431 -2.931 0 1 HAAF B[P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O 299822276 LYBDVUVBAVYGMN-PAHOEEHLSA-N 423.024 -2.105 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]21C 2356434776 DTHRMEYEJGYKKG-NRKNRUHMSA-N 404.412 -1.618 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356439163 GPAACNGMYVWROH-LJPOCDNESA-N 410.460 -1.763 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@@]2(O)CO 2356532676 TZVOANVHPCUBIU-UWPKBQPGSA-N 422.383 -4.064 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@]2(O)[C@H]34)C(=O)N5 2356670027 XQCRMAWEEAMNOR-LFSSCNCHSA-N 400.387 -1.016 0 1 HAAF COCCO[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@@H]1O 58639166 ICKYKWCJEMPHMX-WOUKDFQISA-N 421.303 -1.899 0 1 HAAF in-vitro CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 66259883 XPAUCTZKSHWPRS-YGGSFJJUSA-N 418.417 -4.691 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@@H]5C[C@@H](C(C)(C)C)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 255267000 SQOJOAFXDQDRGF-XZZHOVLDSA-N 424.402 -1.370 0 1 HAAF O=C(O)[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](OP)O[C@H]2C(=O)O)[C@H](O)[C@H](O)[C@H]1P 261495868 FHVDTGUDJYJELY-QXVHXEDUSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man CC(=O)OCC1=C2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@@H]2CC1 2356412514 SBKHBPAOTDHFBN-BBGLXCLISA-N 416.379 -1.603 0 1 HAAF CC(=O)O[C@H]1[C@H](O)[C@@H](O)O[C@H](C(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@@H]1O 2356521622 GADQYBXXXSDVFH-CQYKAYADSA-N 412.300 -4.642 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@](C)(O)CC[C@@]12O 2356590541 RWMXKBUPLSNIJL-ZFBBMWQPSA-N 406.384 -2.892 0 1 HAAF O=P(O)(O)O[C@@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O 26825415 BGGUSFMGMVDPIN-UKFBFLRUSA-N 404.094 -2.454 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]3O)[C@H]12 238766559 CAFTUQNGDROXEZ-TYSGZLNOSA-N 406.384 -2.893 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@H](P)[C@H](O)[C@H]1O 100772452 FHVDTGUDJYJELY-IPTSUMMUSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(O)CO 238778231 XJMPAUZQVRGFRE-SQQAZHCKSA-N 404.368 -3.258 0 1 HAAF CCCCCC(=O)O[C@@H]1[C@@H](OC[C@H](O)[C@@H](O)CO)O[C@H](COC(C)=O)[C@H](O)[C@H]1O 2356305140 OPVUPFDYAYSUFH-SDDKCIJXSA-N 424.443 -1.781 0 1 HAAF COc1cc(CCC(=O)NCCO)ccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 2178319822 AZZRGFYEWXDSAT-PLLDYVMSSA-N 401.412 -2.085 0 1 HAAF COc1cc([C@@H](O)[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356623174 SBBZLYAYBZBMAP-PHFFIADZSA-N 404.412 -1.049 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@H]2OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O 2356647316 IBOBEERRSJXQNF-VMWWMIKBSA-N 414.360 -5.656 0 1 HAAF C/C=C1\[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 14617961 KYVUMEGNMQDSHO-CFOQJOOMSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man COC(=O)CCNC(=O)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49017139 SRZHCVOVVUKPTC-DZXXPSBRSA-N 411.371 -2.789 0 1 HAAF Cn1c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@H]3O)c2n(C)c1=O 2356509174 GGZXXCLVVREIPK-XRQWEHNRSA-N 422.287 -3.477 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O 15205793 CDOJPCSDOXYJJF-PEYIRXHWSA-N 424.403 -5.110 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(CCCO)nn1 64573800 KWBLHCGBNNBDAO-PWRGDLIESA-N 400.388 -2.842 0 1 HAAF O=c1nc(O)c(F)cn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 473110089 UTTXPVADCDYRBS-JXOAFFINSA-N 420.179 -1.956 0 1 HAAF C[C@@H](O)C=C[C@@]1(O)[C@@]2(C)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]1(C)C(=O)O2 2356532305 IYZKVNWVTDUROQ-UTMTUJHWSA-N 418.439 -2.045 0 1 HAAF Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1cccc(C(=O)OCCO)c1 13537534 OVOBPZNPMLDJLC-RVDMUPIBSA-N 422.466 -1.432 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N2CCC[C@H]2C(=O)O)cc1 27643910 GJFLDWMQUYYZHH-LBPRGKRZSA-N 412.424 -1.744 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356526792 LREJRSFSOHVXFP-NYAKCOCZSA-N 418.395 -3.178 0 1 HAAF CNC(=O)COC(=O)[C@H](CC(N)=O)NC(=S)Nc1ccc(S(N)(=O)=O)cc1 28460465 ZDUQAOBGFYJNTD-JTQLQIEISA-N 417.469 -1.846 0 1 HAAF O=C(N[C@H]1OCC=C1CO)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O 140119550 TZJJTXFPLXKCLO-DPFUWQRESA-N 422.387 -5.027 0 1 HAAF CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 169361128 CXKDMDVEHLPRGY-HUXHPDLRSA-N 424.402 -1.225 0 1 HAAF Cc1occc(=O)c1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238786922 JVCXUCHSIDSOMM-BMKBXKLXSA-N 420.367 -3.410 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 254074734 DKSFGHQZRXXSTP-RNYJFZBBSA-N 402.352 -2.137 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N(C)CCC(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12 26568526 DJAYLAJFNFIOLJ-SWLSCSKDSA-N 404.397 -1.652 0 1 HAAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@@H]1O 202461024 ZDQUEPDNMYMYGB-BLDNINTCSA-N 417.488 -2.317 0 1 HAAF CC(=O)O[C@@]1(C)[C@@H](O)[C@@H](O)[C@@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356754313 VVAKCWWARZTARU-JDXWAMQBSA-N 406.384 -3.038 0 1 HAAF Cc1cn([C@H]2C=C[C@@H](COC(=O)C[C@@]3(CC(=O)O)OCOC3=O)O2)c(=O)[nH]c1=O 26475125 RFYXRHGCAAWGTH-WVQJBOLRSA-N 410.335 -1.024 0 1 HAAF Cn1nc(N)c2cn([C@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]3O)c3ncnc1c23 26489090 URLYINUFLXOMHP-KKJHZKEVSA-N 400.288 -1.371 0 1 HAAF N=c1c(O)c(O)/c1=N\CCC[C@@H](N)COC(=O)N[C@H](CCCCN)COC(N)=O 34086876 BKZPFMLMIDIMAC-GVSISYODSA-N 414.463 -1.220 0 1 HAAF O=C1C=C[C@H]2N=CC=C3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4N1[C@@H]32 40393390 YSSIADRRIPPTBF-YJDWCWRUSA-N 400.387 -1.013 0 1 HAAF CC[C@H](C)[C@H](NC(=O)C1=C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1)C(=O)O 95594304 GIWLTWKEGYKZHN-KXKOXJKGSA-N 404.416 -2.536 0 1 HAAF C[C@H]1CC[C@]2(O)[C@@]3(O[C@]4(O)C[C@]2(C)[C@]2(O)C[C@@](O)([C@@H](C)CO)[C@]4(C)[C@@]32O)[C@@H]1O 104371307 LIGPZBKBGCJTGC-GNRPRUECSA-N 400.468 -1.379 0 1 HAAF in-man N=C1N=C2[C@H](C(=O)N1)C(CN[C@@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 2356540997 DEPYCKOJXDKIQJ-RAHNODSMSA-N 409.399 -4.046 0 1 HAAF CC(=O)O[C@]1(C)[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C[C@H]2[C@H](O)[C@H]1O 2356754312 VVAKCWWARZTARU-FNQJMXNBSA-N 406.384 -3.038 0 1 HAAF CSCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 15261473 OGZNUDJBIAOLAA-UTLUCORTSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man NS(=O)(=O)c1ccc(NC(=S)N[C@H]2[C@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c(F)c1 28825907 GKFNQSJQCXICPM-RMPHRYRLSA-N 411.433 -2.441 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 195497855 PADHSFRQMFRWLS-DKDBTEOFSA-N 400.380 -1.874 0 1 HAAF CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O 1911581743 ZKIYLBDBKFQLKH-JYJNAYRXSA-N 415.535 -1.284 0 1 HAAF O[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356354471 KDWQVNKGSDPRET-IAEPAWCHSA-N 418.395 -3.215 0 1 HAAF N[C@H]1[C@H](O)[C@@H](O)[C@@H](C[C@H](O)[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H]1O 2356403987 ZPDFNEXYNUEAKH-MTNDUMFQSA-N 405.360 -4.915 0 1 HAAF NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1 14958116 QAZLXIBIOAGZNF-GZBLMMOJSA-N 416.412 -2.769 0 1 HAAF O=c1[nH]c(=O)n([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)cc1F 17354007 FOZCNVFQOJRHFF-UNGCPHIMSA-N 422.151 -2.479 0 1 HAAF CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48998485 VZCBWDDKSICCRV-PMEHFWSRSA-N 400.388 -2.901 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/CO)[C@@H]1C(=O)OC 238781651 RJEDKBHZKYALIU-YIFIIQCCSA-N 420.367 -3.076 0 1 HAAF C[C@@H](O)/C=C/[C@]1(O)[C@]2(C)C[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@]1(C)OC2=O 255220551 IYZKVNWVTDUROQ-MLAGGGSOSA-N 418.439 -2.045 0 1 HAAF OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356373673 FRACCEHBKJCTJJ-RMUPJOAUSA-N 416.423 -2.491 0 1 HAAF O=C1OCC[C@@]2(O)C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@@H](O)CO 2356596355 GYWSUCYZXMXNFD-VLMQLMEOSA-N 408.356 -4.310 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](N)CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 2356627925 ANAHQDPQQBDOBM-ILXRZTDVSA-N 422.486 -1.155 0 1 HAAF CC(C)[C@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)O 2356710272 WOZDCBHUGJVJPL-XQQFMLRXSA-N 401.512 -1.584 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356846178 OKWNRLSXOLFVKF-LSRWFTAKSA-N 416.380 -5.590 0 1 HAAF O=C1CCC=C[C@]1(O)C(=O)OCc1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95635623 CZDNLUMNELLDDD-LNZAMEHWSA-N 424.402 -1.441 0 1 HAAF in-vitro CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 238747437 SUGOCCUAKZVLFE-SDTHRHJYSA-N 416.423 -1.182 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 263637729 PADHSFRQMFRWLS-HGUUMILSSA-N 400.380 -1.874 0 1 HAAF N=c1nc(O)c2ncn(CCn3cc(Cn4cnc5c(O)nc(=N)[nH]c54)nn3)c2[nH]1 473117456 ZJZZVBUCKKQWMM-UHFFFAOYSA-N 409.374 -1.458 0 1 HAAF CC(=O)O[C@@H]1[C@@H](OCC2=COC[C@H]3[C@@H]2C[C@@H](O)[C@@H]3CO)O[C@H](CO)[C@H](O)[C@H]1O 2356688807 MXOBDDWKFHUARP-OCDNJEQESA-N 404.412 -2.107 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@H](CO)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95914795 HHNPREGNVCFCOP-QNNDJEKZSA-N 400.380 -1.874 0 1 HAAF biogenic,in-vitro N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587222862 UUFPSRCBGFFWHC-PSASIEDQSA-N 413.412 -1.486 0 1 HAAF C[C@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356478241 WMYNFWZLMQEVTL-ZYJRTYBBSA-N 416.423 -2.145 0 1 HAAF C[C@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640553 LEAXFLBWBNRFEJ-ISVAXAHUSA-N 416.412 -2.870 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)C[C@]12O 2356432663 IKSXXSBNUQXFLT-RARGQPMTSA-N 406.384 -3.036 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](P)[C@@H](O)[C@H]1O 2356574571 FHVDTGUDJYJELY-MKQDPUQVSA-N 418.228 -3.515 0 1 HAAF C[C@@H](O)C=C[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 2356632782 SGUOENJPMRQEMJ-YQHCERFUSA-N 406.472 -1.589 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@@H]1C(=O)OC 2356684519 RJEDKBHZKYALIU-OXNOLRCLSA-N 420.367 -3.076 0 1 HAAF COc1cc([C@H](O)[C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356771339 VVQORBWCJVXQBI-GPWHZNJCSA-N 420.411 -2.077 0 1 HAAF O[C@H]1CO[C@H](Oc2ccc3ccc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)cc3c2)[C@@H](O)[C@@H]1O 28714116 SCFGEHKWCODPBZ-LVLREDAUSA-N 424.402 -1.525 0 1 HAAF CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(C)=O 221979842 IOVCSFKOEPAYDK-KKUMJFAQSA-N 401.508 -1.626 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O 2356506044 YSMFIJDRMWRYKD-SQRJSLLPSA-N 416.423 -2.490 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356509659 XEGUBLZOESPNQE-QIBDZQDVSA-N 418.395 -2.656 0 1 HAAF Cc1ccc2[nH]c(CN(C)C(=O)[C@H]3O[C@@H](n4ccc(=O)[nH]c4=O)[C@H](O)[C@@H]3O)nc2c1 169339872 BFLQKWJIZDDLEL-UIBIWLFHSA-N 415.406 -1.001 0 3 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17196550 SFEJDVWRGQKIIY-VXQZZKJKSA-N 408.152 -1.477 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(Cc1ccc(Cl)cc1)c(=O)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 27106923 HBZCCPFFUYHJGG-AYIJCJCZSA-N 423.813 -1.218 0 1 HAAF OCC(CO)O[C@H]1O[C@@H]([C@H](O)CO)[C@H](O[C@H]2O[C@@H]([C@@H](O)CO)[C@@H](O)[C@@H]2O)[C@@H]1O 238735806 MIYYLDCMNHYDID-QLHBXWJNSA-N 416.376 -6.020 0 1 HAAF C[C@H](O)CC[C@@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356383623 SNMLGMAKMWIVSL-ILBZJIRMSA-N 406.472 -1.492 0 1 HAAF NCCC[C@H](N)CC(=O)NCCC[C@H](N)CC(=O)NCCC[C@@H](N)CC(=O)O 2356678041 POCPKVLNHOLZGM-SOUVJXGZSA-N 402.540 -1.245 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895591 IAKYOCQVAMMWCY-SCRDCRAPSA-N 417.382 -2.317 0 1 HAAF O=C1C=C[C@H]2N=CC=C3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4N1[C@H]32 40393389 YSSIADRRIPPTBF-ZQIVOEDMSA-N 400.387 -1.013 0 1 HAAF Cc1sc2c(c1C)CCN[C@@H]2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 963011229 OQFJGNHNEHOTHT-RRDKWEOTSA-N 419.496 -1.910 0 1 HAAF CC=C1CN(C(=O)[C@H](N)[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)[C@H](O)[C@@H]2O)[C@H]1C(=O)O 2356341663 UIKYJKLUMGIAGG-QEBKJYJCSA-N 410.383 -2.554 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@H](O)[C@@]12O 2356631703 LGTHGFVYOAZGBN-WREBCIHVSA-N 422.383 -4.065 0 1 HAAF O=C(O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H]([C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356710419 DENGNXBHVRIEBZ-DIKPVLCCSA-N 400.333 -5.552 0 1 HAAF CC[C@@]1(O)C=C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356757057 PLLNTYLGQGXNDL-ZUOPVDIMSA-N 402.396 -1.841 0 1 HAAF NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCC[C@H](N)C(=O)O)[C@@H]2SC1 13366772 LSRDVUINCBDNAZ-DXBFQKDVSA-N 416.412 -1.598 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@H](C)CC(=O)[C@@]12O 70455087 PRZVXHGUJJPSME-XSPCUNMJSA-N 404.368 -2.828 0 1 HAAF biogenic,in-vitro O=C1C[C@@H]2S[C@]34C[C@H]1[C@H]([C@@H]2O)N3C(=O)[C@]12C[C@@H]3C(=O)C[C@H](S1)[C@@H](O)[C@@H]3N2C4=O 238741798 KFDSXBGPHVNSIT-NTZNKOSHSA-N 422.484 -1.275 0 1 HAAF C[C@H](O)/C=C/[C@@]1(O)C(C)(C)[C@H](O)CC[C@@]1(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238751308 KHIQEGWMYKWUIK-XWFCJTAISA-N 406.472 -1.589 0 1 HAAF C[C@@H]1O[C@H](O[C@H]2[C@H](O)C[C@@H](O[C@@H]3[C@H](O)C[C@@H](O)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@H]1O 255224229 KWAWXMNQPPKGQO-ZYMAGXGESA-N 408.444 -1.403 0 1 HAAF C[C@H]1C[C@H](O)CC(C)(C)[C@]1(O)C=C[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356518307 MOCRJZJERZYGCF-BUFGUSGMSA-N 406.472 -1.732 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356561887 LRRKTNFBBSNZEN-YSVXCWOHSA-N 418.439 -1.824 0 1 HAAF OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H]1O 2356595361 DLKZWXIGNSGWCS-SGRXJVKUSA-N 416.376 -6.020 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 34311307 KAHUBGWSIQNZQQ-SOUVJXGZSA-N 407.471 -1.385 0 1 HAAF biogenic Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS(=O)(=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O 49014960 NUBHDZKYWTVIHP-KWGHVAAJSA-N 416.416 -2.756 0 1 HAAF OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 95635568 OUGBMVAQMSBUQH-CZNMMXDRSA-N 414.360 -5.656 0 1 HAAF in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(F)c(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235205 GZHVVGNGTLUFSX-BDSWSSESSA-N 413.402 -1.476 0 1 HAAF CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@@]34O[C@H]5OC(=O)[C@H](O)[C@]51[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 40762147 CXKDMDVEHLPRGY-LLIAAIMCSA-N 424.402 -1.225 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N2CCC3(CC2)OCCO3)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84710941 OZKAAYBIRPLWBA-OVJXPFRRSA-N 416.427 -2.220 0 1 HAAF N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 3922906 WXSHDDWPXWECMG-LBPRGKRZSA-N 419.394 -1.701 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)O[C@H](CO)[C@H]1O 70454598 BCWFBSRSXRFEIL-JPPRIPJJSA-N 418.395 -1.668 0 1 HAAF COc1cc([C@@H](O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 238759364 AWSHGBLBAKCDSY-PMTJNINZSA-N 406.384 -2.380 0 1 HAAF CC1=C[C@](O)(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@](C)(O)[C@]1(O)/C=C/[C@H](C)O 238773828 QHHLSVRCVLRKCJ-NRAGPIQVSA-N 406.428 -2.739 0 1 HAAF COC(=O)C[C@H](O)[C@@H](C)CC=CC=C(C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356398178 MYZLBXWHUBXEBR-TWBITJPISA-N 418.439 -1.218 0 1 HAAF CSC[C@H](N)C(=O)N[C@@H]1[C@H](CO)O[C@H](n2cnc3c(N(C)C)ncnc32)[C@@H]1O 2356716283 INAIUCSAMKOUMV-GVFMWBDPSA-N 411.488 -1.682 0 1 HAAF CC(=O)c1cccc(N[C@@H]2[C@H](N)[C@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@]2(O)CO)c1 2356808686 ZBMYQXMIVFKMOG-RBKWHKFKSA-N 424.498 -1.124 0 1 HAAF CC(C)[C@H](NC(=O)C[C@@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O 84726073 OIEULKNNPCSEER-LAEHNOMZSA-N 417.459 -1.329 0 1 HAAF CC(C)(COP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CN 98208981 CGYKHWUDQZHKBD-NSHDSACASA-N 415.405 -1.676 0 1 HAAF in-vitro O=C(O)c1cc(O)c(O[C@@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 238773430 PCNPDUJUHNLVNS-DUYQIWHPSA-N 412.325 -2.198 0 1 HAAF C[C@H](CC(C)(COC(=N)O)COC(=N)O)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356600274 GNJYITKRBXPECB-MDSQIXJUSA-N 410.376 -1.301 0 1 HAAF CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(N[C@@H]4CCC[C@H]4O)nc32)[C@H](O)[C@@H]1O 27323493 YZAFDLABYTZOPG-ADKDIUSASA-N 407.431 -1.511 0 1 HAAF C[C@H]1[C@@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(=O)[nH]c(=O)[nH]3)N=C3NC[C@H]1N32 31372680 LHJPHMKIGRLKDR-YUQKHPEDSA-N 415.428 -1.905 0 1 HAAF in-vitro CC(=O)O[C@@H]1CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@@H]21 70455358 OUZVTXNZEYSSSQ-KZQHPVJLSA-N 404.412 -1.535 0 1 HAAF biogenic,in-vitro CO[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](C)O[C@@H](O)[C@@H]2O)O[C@H](C)[C@@H](NC(=O)CC(C)(C)O)[C@@H]1O 87527719 JTOGXBLOEOCXMJ-UDKDZGLKSA-N 423.459 -2.403 0 1 HAAF in-vitro N[C@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587222863 UUFPSRCBGFFWHC-SCZZXKLOSA-N 413.412 -1.486 0 1 HAAF Nc1nc2c(ncn2[C@H]2O[C@H](COC(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 49113865 YLAOBAXIFFASHZ-QIDLLAIKSA-N 405.260 -2.958 0 1 HAAF C[C@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 1772603067 UROUJOMMYXLMHO-YTMOPEAISA-N 418.388 -3.214 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](CO)[C@H]12 2356585428 PTPQTMGOUIHFNR-QHPPYIDISA-N 418.395 -3.011 0 1 HAAF CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=N)N)[C@H]1O 3920905 USKOLTMETOXNII-OHTBPHCPSA-N 416.479 -1.973 0 1 HAAF Cc1cn([C@@H]2C[C@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O 95618630 RDVUSEMLHAXQRK-DIAUSABSSA-N 417.371 -3.631 0 1 HAAF world C[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)C[C@@H](OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O)C(=O)O 2356381367 KCRYZEAQGJXOJA-CTITZTMVSA-N 416.376 -5.529 0 1 HAAF Nc1ncnc2c1nc(NCCOP(=O)(O)O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 40413102 XFZJUFDNTVVLTP-IOSLPCCCSA-N 406.292 -2.459 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(-c2ccccc2)nn1 64559817 ZGOKVDSRHDGGBC-QBBQCFRVSA-N 418.406 -1.100 0 1 HAAF CC[C@H](CCO[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C 238754277 QJQOVJJFDMZWSM-JZUPCCSTSA-N 424.487 -1.662 0 1 HAAF O=C(O)CC[C@@H](NC(=O)C[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O)C(=O)O 238755816 YEJAMBXFPICSSO-ANVCBGLISA-N 401.328 -3.020 0 1 HAAF N[C@@H]([C@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962892739 GVZIXMKYMYCBPV-CVPWTGMSSA-N 424.318 -2.015 0 1 HAAF C[C@@H]1O[C@H](O[C@H]2[C@H](NC(=N)N)[C@@H](O)[C@@H](NC(=N)N)[C@@H](O)[C@H]2O)C(O)(O)[C@]1(C)O 2356447463 TVWDYAJGQFKWSL-FWMUZEAISA-N 408.412 -5.652 0 1 HAAF O=C(OCc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)c1ccc(O)cc1 2356509217 HYWSNBPSCBWSHZ-NWBKRVSMSA-N 424.358 -1.119 0 1 HAAF C[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356634599 KGDOTJVAFOIYCT-MVQFXRPOSA-N 416.423 -2.145 0 1 HAAF CC=C(C)C(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356683058 FOTLPTROGZIOGT-UNUFQECFSA-N 424.399 -3.880 0 1 HAAF CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@@H]2SC1 3977882 HOKIDJSKDBPKTQ-UDZFHETQSA-N 415.424 -1.130 0 3 HAAF world CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 255286704 ZCNREQTVGGXJTO-QQSYIAECSA-N 408.444 -1.989 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356516703 GZSQKOFXMZDKPV-ORTHXZIUSA-N 416.423 -2.490 0 1 HAAF COc1ccc(C=CC(=O)OC[C@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356673272 LENQPFHDGQUMMQ-DZWDCDQWSA-N 414.407 -1.571 0 1 HAAF CCCC(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356720211 TYUFEZZYZPMRID-WWZUMQTHSA-N 412.388 -4.046 0 1 HAAF COc1nc(N)c2ncn([C@@H]3O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)c2n1 62178596 VVADSJZSHIZJBJ-WFMPWKQPSA-N 414.444 -1.429 0 1 HAAF NS(=O)(=O)c1ccc(CCNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 73314427 JEATYFJZADYIEM-RKQHYHRCSA-N 421.497 -2.860 0 1 HAAF O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](O)C(O)[C@@H](O)[C@@H]1OP(=O)(O)O 109339209 GKDKOMAJZATYAY-XDYCNCSVSA-N 420.093 -3.484 0 1 HAAF C[C@H](O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 238739154 VXOJXCBBJWLAPR-CELYCWDRSA-N 416.423 -1.973 0 1 HAAF Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857563221 KNRHCLVQDNBXGN-JTFADIMSSA-N 422.445 -2.668 0 1 HAAF NC(=O)CNC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](NC(=O)Nc2ccc(F)cc2F)C1 2356311267 ACNVPPJAAKGQSM-KTSGXFQWSA-N 402.354 -1.697 0 1 HAAF CC=C(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356661395 ZMIQCOSRPMWYLS-XOYDQGNJSA-N 424.399 -3.880 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12 2356741413 JTIRVAMILJQVBT-XUOHMPNDSA-N 404.368 -2.970 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2ccccc2)C(N)=O)C[C@@H](O)[C@@H]1O 2356847325 OVYJPEIBIMXVNU-JSPVNYKOSA-N 404.467 -1.656 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCCc2ccccc2)[C@@H](O)[C@H]1O 14651712 ZRGXCWYRIBRSQA-OCCQUJFMSA-N 416.423 -2.491 0 1 HAAF endogenous,in-man C[C@@H]1Cc2ccc(F)c(Br)c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c2cccnc2)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 25429619 KUBCKLDOIZXJJG-CABCVRRESA-N 403.439 -1.224 0 1 HAAF biogenic COC(=O)CCCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 26569758 ITDWXUMLHFDNHZ-DZGCQCFKSA-N 419.408 -1.088 0 1 HAAF C[C@@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 38346958 SNDKCNISROFTJM-JHPNKVFBSA-N 424.402 -1.336 0 1 HAAF Nc1nc(S(=O)(=O)Cc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 38900552 PNQUOPDJSHJEOS-XNIJJKJLSA-N 421.435 -1.006 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@H](N)CCC(N)=O)C(=O)O 39803476 MAGNEQBFSBREJL-MXWKQRLJSA-N 403.436 -2.373 0 1 HAAF biogenic O=C(CC[C@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 95626065 COBSRKLPDWFDCG-LHNUOCAKSA-N 402.352 -1.783 0 1 HAAF in-man OCCCc1ccc(O[C@@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)c1 2356449416 LOHOHFHINWYOTL-GGURZLOHSA-N 418.439 -2.340 0 1 HAAF NC(=O)c1ncn([C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)n1 49089273 HWSPXPQHONXITJ-DJSMDIAISA-N 404.165 -2.778 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1CCO[C@]2(C)O 238776128 WHAPPFLYHSDHAN-JTZTUSFRSA-N 406.384 -2.423 0 1 HAAF CC(C)[C@H](C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O 2356870742 XUGDTGJBUKGWNF-MZWUXOMYSA-N 410.416 -2.915 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(O)CO 238764671 TZVOANVHPCUBIU-PBPIKYCRSA-N 422.383 -4.064 0 1 HAAF NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 49070647 GQMYXUSHBXLGED-SJHCENCUSA-N 412.442 -3.447 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 104863705 LABSPYBHMPDTEL-XXPOXACYSA-N 422.276 -5.280 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C 2356540053 KHKJDBORKVAPOM-ONJLLATMSA-N 404.412 -1.761 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356605817 SMUMBCREXHTKFN-UWFDEZKLSA-N 416.423 -2.145 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](OCc2ccccc2)[C@H](O)[C@@H]1O 13376358 WOGBNISMMIOPAZ-AIQUETEZSA-N 402.396 -2.534 0 1 HAAF in-man O=C(NCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)nn1)c1ccccc1 66079911 ANLBIDLBQDOFNU-RGCMKSIDSA-N 414.311 -1.063 0 1 HAAF COc1cc([C@@H](O)[C@H](C)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 238753722 SBBZLYAYBZBMAP-FYPFZWSXSA-N 404.412 -1.049 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 1857624211 DKSFGHQZRXXSTP-VRNMLTSBSA-N 402.352 -2.137 0 1 HAAF Nc1ccn([C@@H]2O[C@H](C(=O)N3CCN(Cc4ccccn4)CC3)[C@@H](O)[C@H]2O)c(=O)n1 169340844 XBIKORNBDHXQBU-UIBIWLFHSA-N 416.438 -1.816 0 3 HAAF CCc1c(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)[nH]c(=O)[nH]c1=O 28768249 RYIAJKBMBNBXBY-NWDGAFQWSA-N 417.426 -1.834 0 1 HAAF C[C@H]1C(=O)O[C@H]2C[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O 100771994 LMEHVEUFNRJAAV-NPLUBHNXSA-N 424.402 -1.370 0 1 HAAF endogenous,in-man O[C@H]1CO[C@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 238738546 WOGBNISMMIOPAZ-HISGPVIZSA-N 402.396 -2.534 0 1 HAAF N[C@@H]1[C@H](O)[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)O[C@H]1n1ccc(=O)[nH]c1=O 35033719 DEYDGUCDMRYBLU-XVFCMESISA-N 403.177 -2.652 0 1 HAAF Cc1cn([C@H]2C[C@@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 169699758 UGKBLVLMJJXYLY-ZJIFWQFVSA-N 404.423 -1.115 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)OC(=O)C[C@@H]12 2356658403 QZCJFXSHMSZCLH-ZVNWDLPFSA-N 404.368 -2.216 0 1 HAAF O=C(O)[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)C1=O 2356781457 BFQRXDLXCAJSSC-KJUNILPASA-N 418.311 -4.315 0 1 HAAF CC[C@H](CCO[C@@H]1O[C@H](CO[C@H]2OC[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C 238761451 QJQOVJJFDMZWSM-IYEWIBSDSA-N 424.487 -1.662 0 1 HAAF CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn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biogenic CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)OCc1ccccc1 28097898 FGOUHTYIBOECQJ-DZKIICNBSA-N 408.455 -1.450 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]2(O)[C@@H](C)CC(=O)[C@]12O 2356384260 NCWNKJPLFYBFLX-WKTWZQPVSA-N 420.367 -3.713 0 1 HAAF Oc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356572768 NOUKECIOLFROLB-BQIJUFDUSA-N 404.368 -2.966 0 1 HAAF OC[C@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 257566293 VLAZYPZGDJXPDY-NQKIFRMUSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)c2nnn[nH]2)[C@@H](O)[C@H]1O 263620904 PRVMDGXUVZTDPT-XLZJSAHRSA-N 408.448 -1.636 0 1 HAAF in-vitro Nc1ncnc2c1c(C(F)(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857584782 YQIQYAANVFHQLX-BHBWVORQSA-N 414.322 -1.733 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](C(=O)c3ccco3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356416157 KAXDLRWJSRWBER-IKTXQDMKSA-N 404.368 -2.844 0 1 HAAF O=C1CCC(=O)N(O)CC[C@@H](O)CNC(=O)CCC(=O)N(O)CC[C@@H](O)CN1 13310145 OZZLZFXDNDCIOU-VXGBXAGGSA-N 404.420 -2.270 0 1 HAAF biogenic Cn1nc(N)c2cn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]3O)c3ncnc1c23 31750533 URLYINUFLXOMHP-WRNXMPKJSA-N 400.288 -1.371 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@H](O)[C@]12C 2356606849 GWPQGHMAOBGLQY-WTAWFKNLSA-N 402.396 -1.841 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356656824 ZCNREQTVGGXJTO-ATFKWZTJSA-N 408.444 -1.989 0 1 HAAF CC1=C[C@@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@H](CO)C(=O)[C@@H]2[C@@](C)(O)C12CC2 2356764619 WHTLSLQCKFRZNC-KSIWXJOLSA-N 414.451 -1.770 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587831063 VOKDGFRITJDRMO-OYMUVOJRSA-N 424.263 -1.254 0 1 HAAF OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356595360 DLKZWXIGNSGWCS-MMBGQWOMSA-N 416.376 -6.020 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](N)CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39806930 VSRCAOIHMGCIJK-WOPDTQHZSA-N 416.479 -1.458 0 1 HAAF biogenic O[C@H]1CN(c2ncnc3c2ncn3[C@H]2C[C@H](O)[C@@H](CO[PH](O)(O)O)O2)C[C@@H]1O 98209394 AFIPVZHEZSDVQA-LADJIXMOSA-N 419.331 -2.580 0 1 HAAF in-vitro COc1cc(C[C@H]2CCC(=O)O2)cc(O)c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356344708 OQZAGOJJVQJMIE-MPQBUJMISA-N 414.363 -1.080 0 1 HAAF CN[C@@H](C)[C@H](O[P@@](=O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 102915352 FWECCZDKCBTCGU-YHSBAUHPSA-N 407.356 -1.344 0 1 HAAF CC(=O)N[C@@H]1C[C@@H]2C(=O)N[C@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)[C@H]3C(=O)N2C1 2356309219 MYDYWLOAMBIRQL-YYIAUSFCSA-N 419.482 -1.550 0 1 HAAF CC[C@@](C)(O)[C@@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356633325 UKSHFSUBKYPKMO-OBJFCOSHSA-N 416.423 -1.570 0 1 HAAF CCCC(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356720208 TYUFEZZYZPMRID-BNUUGDOQSA-N 412.388 -4.046 0 1 HAAF O=C(O)CN(C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O 49015116 VUFLGAGEDNEJIV-HIORRCEOSA-N 413.209 -3.939 0 1 HAAF NCCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 199753701 NHAKJKNYYCYZBR-UOYPZJKHSA-N 424.462 -2.520 0 1 HAAF Cn1c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]3O)c2n(C)c1=O 2356509173 GGZXXCLVVREIPK-SNWGBXRCSA-N 422.287 -3.477 0 1 HAAF CC(=O)O[C@H]1[C@H](O)[C@@H](O)O[C@H](C(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 2356521624 GADQYBXXXSDVFH-PWXHFQLJSA-N 412.300 -4.642 0 1 HAAF CC[C@@H](CO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356550990 WTSRJBCPXZKTRQ-HTCXCHCHSA-N 424.487 -1.663 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 5847165 IAKYOCQVAMMWCY-OBJOEFQTSA-N 417.382 -2.317 0 1 HAAF NC(=O)N[C@@H](CC[C@@H](N)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@H]1O)C(N)=O 33856039 YMZIVNTXFCXHQI-NZHYYXIDSA-N 407.435 -1.923 0 1 HAAF in-vitro O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 147959783 LABSPYBHMPDTEL-YNJZANGVSA-N 422.276 -5.280 0 1 HAAF O=C(O)c1cc(O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)ccc1O 238755146 MPMGCDBPHYSKLY-UXJHBWSYSA-N 418.351 -2.627 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C[C@@H](O)[C@]12O 238757869 MLTZHVBDDNOQNM-NDWWOLIWSA-N 406.384 -3.036 0 1 HAAF OC[C@@H]1O[C@H](N2CCN([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)CC2)[C@H](O)[C@H](O)[C@@H]1O 254110886 AAHLQODCOIMLFS-UEOCTWEVSA-N 410.420 -5.796 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 257411978 DZMYOBBWRZTUTA-HBJJVZSZSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man CC(C)CCO[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257514616 PPIXDGFHKZNFOD-FPARNOHQSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man OCCCc1ccc(O[C@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)c1 2356449418 LOHOHFHINWYOTL-MATIZBOZSA-N 418.439 -2.340 0 1 HAAF CN[C@H](C(=O)N[C@@H]1C[C@](O)(C(=O)N[C@H](CC(C)C)C(N)=O)C[C@@H](O)[C@@H]1O)C(C)C 2356825711 HFDROTXGFVYQFH-VZTYJIHUSA-N 416.519 -2.022 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 59211719 SWJBYJXTNZNTIR-ADKOGBKPSA-N 403.392 -3.876 0 1 HAAF in-vitro O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@@H]2O1)N1CCS(=O)(=O)CC1 2356288500 FLQFYDBEMOVCBE-KCEFYPGHSA-N 418.512 -1.312 0 1 HAAF CC=C(C)C(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356683056 FOTLPTROGZIOGT-MCQQBGERSA-N 424.399 -3.880 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 14957611 IBIPGYWNOBGEMH-KHFIXBTASA-N 414.363 -2.296 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)C2CCNCC2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430749 HBROVKAIABNXPC-ZIAGYGMSSA-N 415.516 -2.147 0 1 HAAF biogenic COc1cc(C=CC(=O)O[C@@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356345274 YAIVMBWMHPRYKU-LFYQSXPISA-N 400.336 -1.142 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](OC)[C@@H]12 2356384755 XJZRHAMUBWIJEV-ATFMWOTESA-N 418.395 -2.604 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2CCC(=O)[C@]12C(=O)O 2356616448 XJRFLCMOTHIFMB-LQGBEZCYSA-N 418.351 -2.734 0 1 HAAF CC(=O)O[C@@H]1[C@@H](OCC2=COC[C@H]3[C@@H]2C[C@H](O)[C@@H]3CO)O[C@H](CO)[C@H](O)[C@H]1O 2356688805 MXOBDDWKFHUARP-FSOAEZNCSA-N 404.412 -2.107 0 1 HAAF O[C@H]1[C@H](O)[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)O[C@@H]1CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 100827390 RBNRMSRJWILJMU-LDBVBKSOSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CCCC=CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 2356427382 YDNJAFJOMNMVCI-VASUQGDBSA-N 424.443 -3.017 0 1 HAAF CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@@H](O)[C@H](C)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 2356429829 JDYPLWLMGOKQLK-SNWQJSQVSA-N 418.395 -1.668 0 1 HAAF C[C@H](N)C(=O)N[C@H](CCO)C(=O)N[C@@H](CC(=O)Oc1n[nH]c(O)c1O)C(=O)O 2356527911 OSMOXHWFOQKIKE-XVMARJQXSA-N 403.348 -3.100 0 1 HAAF CNC(=O)[C@]12CN(C)C(=O)C(=O)N1[C@@H]1C[C@]3(O[C@H](C)C(C)(C)C3=O)[C@H](O)[C@@]1(O)C2 2356571134 JYNXDZWXNZSMMS-HMTJLOFYSA-N 409.439 -2.207 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O)C(=O)O 2356826813 HKOVMJGGVHCEHW-IIMQTDHVSA-N 406.476 -1.592 0 1 HAAF CC(=O)N[C@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC1(C(N)=O)CCC1)C(C)C 149745374 LWNXENWOYOWIAR-STQMWFEESA-N 411.507 -1.581 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 587608304 KWUSOKWHHHTOJV-FJNGADLTSA-N 422.386 -1.481 0 1 HAAF O=C(Cn1cc(CCO)nn1)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 64549886 XVJNWULARPQBAF-ZZEHVWSGSA-N 402.360 -4.260 0 1 HAAF CC[C@H](O)c1ccc(O[C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 238746530 OGVIBZYVGMXVLC-DHJDKVCWSA-N 418.439 -1.305 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)/C(=C/CO)[C@@H]1CC(C)=O 238779657 PQTIEQYVBZPBPX-YROBWWEDSA-N 418.395 -2.270 0 1 HAAF Oc1ccccc1CO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356518976 JDCZPTGZKIDCQI-DMSDKGEZSA-N 418.395 -2.828 0 1 HAAF C[C@H](O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@@]2(O)[C@H]34)C(=O)N5C 2356568834 PQCKBAMPLOMUBD-GXOFBRCSSA-N 416.430 -1.200 0 1 HAAF C[C@H](O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@]2(O)[C@@H]34)C(=O)N5C 2356568841 PQCKBAMPLOMUBD-VXXJPERMSA-N 416.430 -1.200 0 1 HAAF COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1OC)CCN(C)[C@H]2CO 5966791 ANLAXYVKKILUOM-ZUUUUXDMSA-N 415.439 -1.596 0 1 HAAF CO[C@@H](C)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857610790 XIGHCNBVWDIZBS-VWJPMABRSA-N 404.405 -2.045 0 1 HAAF COC(=O)CN1C(=O)[C@H]2C[C@H](O)CN2C2(CN(C3CCN(C(C)=O)CC3)C2)C1=O 2356300851 UFAOOAHXWWTKFG-LSDHHAIUSA-N 408.455 -1.971 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O 13660149 WOGBNISMMIOPAZ-XXVSAMMQSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man C[C@@H](O)[C@@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640547 LEAXFLBWBNRFEJ-AMIZOPFISA-N 416.412 -2.870 0 1 HAAF O[C@H]1CO[C@@H](O)[C@@H](O)[C@H]1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 86005481 RBNRMSRJWILJMU-YBEMMNFHSA-N 414.360 -5.656 0 1 HAAF in-man CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C3C(=O)O[C@H]4C=C(CO)[C@@H]2[C@H]34)[C@@H](O)[C@H](O)[C@H]1O 2356495236 KYZSIRLGANXBNT-ATFMWOTESA-N 414.363 -2.296 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 2356598934 GTHIFXIHABRYRL-OTTNYRCRSA-N 416.376 -6.020 0 1 HAAF N=C(N)NCCCC[C@@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN 5518739 GDVNLLJNADMLLR-CJNGLKHVSA-N 403.528 -2.340 0 1 HAAF biogenic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c2nc3cc(C)cc(F)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235784 SZFVEXFFEFSWHZ-BDSWSSESSA-N 413.402 -1.476 0 1 HAAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@H]1O 2356288838 LNLUSVBOSBSQIQ-KLUNEYRZSA-N 419.500 -1.373 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1CC(=O)O 2356399793 GXXBBPZLNJMTDC-HKGQVLQUSA-N 420.367 -2.774 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 17196545 SFEJDVWRGQKIIY-HPUXTKQPSA-N 408.152 -1.477 0 1 HAAF OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H]1O 238755288 DLKZWXIGNSGWCS-CZDCCXQMSA-N 416.376 -6.020 0 1 HAAF Cc1ccc(NC(=O)N[C@@H]2C=C(C(=O)N[C@H](CC(=O)O)C(N)=O)C[C@@H](O)[C@@H]2O)cc1 4221820 AROXAAJJSQDYKL-IXYNUQLISA-N 420.422 -1.018 0 1 HAAF biogenic CC(=O)OC[C@H]1O[C@@H](n2c(=O)[nH]c(=O)n(C)c2=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 169316287 PQRZZBFQLOAONJ-WISYIIOYSA-N 401.328 -2.441 0 1 HAAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)O 587217264 ATEZUEVBIXVGCW-ONGXEEELSA-N 402.371 -1.157 0 1 HAAF COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)[C@@H](C2)C3=O 587448931 NILOYBMGQBEVOY-WBAKVLTMSA-N 420.307 -1.636 0 1 HAAF CC(=O)N[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N(C)C)ncnc32)[C@@H]1O 40402721 FAJBFDMFYXHNHK-RSVSFAPFSA-N 416.331 -1.235 0 1 HAAF O[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356354472 KDWQVNKGSDPRET-YXMSDIHZSA-N 418.395 -3.215 0 1 HAAF CNC(=O)Cn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 13818993 PKCCDHLPYXYKMT-LKGUXBDMSA-N 404.387 -2.371 0 1 HAAF C[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)[C@H](O)[C@H](O)C[C@](C)(O)[C@@H]3C[C@@H]3OC(=O)[C@H](O)[C@]1(O)[C@@]32C 2356348702 BILZREJNQHDKIP-VRSYMPKOSA-N 416.467 -2.100 0 1 HAAF N[C@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(CC(=O)NCCC(=O)O)C1=O 58575003 ZWTMDRLIHVMAAH-KGLIPLIRSA-N 404.423 -1.219 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@](C)(O)CC[C@]12O 238776153 RWMXKBUPLSNIJL-VLNNNZTGSA-N 406.384 -2.892 0 1 HAAF O[C@@H]1[C@@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@H]2O)CO[C@@H](O[C@@H]2CO[C@@H](O)[C@@H](O)[C@H]2O)[C@H]1O 255220780 JCSJTDYCNQHPRJ-VPBPNNBMSA-N 414.360 -5.656 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 1857622143 WOGBNISMMIOPAZ-FKZIUSFVSA-N 402.396 -2.534 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](CCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356365474 MSMRYTASZYWIJR-LUMLSZIUSA-N 414.451 -1.687 0 1 HAAF C[C@H](N[C@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 27519098 UILSQVXVCCBDQF-KQXIARHKSA-N 414.415 -1.248 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@H](N)CCC(=O)O)C(=O)O 34355544 LVCHEMOPBORRLB-MXWKQRLJSA-N 403.436 -2.373 0 1 HAAF biogenic CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@]34O[C@H]5OC(=O)[C@H](O)[C@]51[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 101121389 CXKDMDVEHLPRGY-QDYXRVEZSA-N 424.402 -1.225 0 1 HAAF C/C(=C\C=C/C[C@@H](C)[C@H](O)CC(=O)O)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238781629 JWAGJGCOOSEMAU-ZFSXTORCSA-N 404.412 -1.306 0 1 HAAF CNC[C@@H]1CC[C@H](N)[C@H](O[C@@H]2C[C@H](N)[C@H](OC)[C@@H](O)[C@H]2N(C)C(=O)CNC=N)O1 606493340 YHLFRQHBLKQPRR-SWWQAODSSA-N 416.523 -2.446 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H](O)[C@H]2CO 2356489763 JDBBFQGXBSMMHP-STTSTUGCSA-N 422.383 -4.208 0 1 HAAF N[C@@H]1[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O 2356646665 LOPKUYZFWDPPJT-JANLLOGOSA-N 421.292 -5.927 0 1 HAAF O=c1ccn([C@H]2[C@H]3C[C@@]3(CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 169319031 BFWUJFNKDUGYMX-NXOAHONGSA-N 414.200 -1.954 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c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c1cn([C@@H]2C[C@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]3O)O2)c(=O)nc1O 261494635 RDVUSEMLHAXQRK-SBGUNGFTSA-N 417.371 -3.219 0 1 HAAF world CCCCOC(=O)[C@H](O)Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356688244 SUGOCCUAKZVLFE-PVHWUHCKSA-N 416.423 -1.182 0 1 HAAF CS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@@H]1O 28113020 ZDQUEPDNMYMYGB-ADVQIIOHSA-N 417.488 -2.317 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(CO)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235028 CIEDYXDGUTWEHF-AIVZJVSBSA-N 411.411 -2.431 0 1 HAAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCOCC3)[C@@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1 2356288498 FLQFYDBEMOVCBE-DTJSUFBGSA-N 418.512 -1.312 0 1 HAAF OC[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378034 TYALKKBMRDZWLW-IOCUFCHJSA-N 418.395 -3.311 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@H]3CO[C@H](C[C@@H]12)O3 2356542786 FDMHZAVPZJENRB-IFCMLHSWSA-N 404.368 -2.406 0 1 HAAF OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O)OC[C@H]2O)[C@H](O)[C@@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 86005477 FASIISXZAJLLSP-ZUWGFVSBSA-N 414.360 -5.656 0 1 HAAF in-man C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95909860 MOCRJZJERZYGCF-LIMBPXAQSA-N 406.472 -1.732 0 1 HAAF biogenic,in-vitro COc1cc2c3c(c1)O[C@@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O 587431388 DUXXMWLIWPDIRH-AQOBECIJSA-N 411.407 -1.289 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356439165 GPAACNGMYVWROH-UDYQMKDZSA-N 410.460 -1.763 0 1 HAAF O=C(NC[C@@H]1O[C@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)[C@@H](O)[C@@H]1O)C1CC1 2356844091 CZJVDICIWYSBJV-WTLGNFPFSA-N 405.475 -1.301 0 1 HAAF CCNC(=O)Cn1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 13818995 FVZQVLRTPRQURY-DMEFTLKTSA-N 418.414 -1.980 0 1 HAAF O=S(=O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 87530067 YFZXRXKBZYERAF-DCSYEGIMSA-N 422.361 -5.570 0 1 HAAF in-vitro O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 104863709 LABSPYBHMPDTEL-VFQARKRPSA-N 422.276 -5.280 0 1 HAAF C[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 238748799 SMUMBCREXHTKFN-KTUGSKGLSA-N 416.423 -2.145 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H]1O[C@H]1[C@@]2(C)O 255230857 LYVNAJAQRIGDTO-AJXANOMYSA-N 404.368 -3.020 0 1 HAAF Nc1ncnc2c1c(SCCO)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@@H]1F 1857617112 DDLKQSFEKUYLFN-ADVRJHOBSA-N 424.436 -1.691 0 1 HAAF CCCC[C@@H](NC)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49089670 YYDGPMVJEFGKJC-JNRYOZRZSA-N 414.415 -2.497 0 1 HAAF C[S@@](=O)c1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(COP(=O)(O)O)C[C@H]34)c2n1 95559302 RMRRMPNKZOUNCK-WPRBEJGUSA-N 419.356 -1.462 0 1 HAAF CC1=C[C@@]2(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@H](CO)C(=O)[C@@H]2[C@@](C)(O)C12CC2 2356764618 WHTLSLQCKFRZNC-FUMJHBRGSA-N 414.451 -1.770 0 1 HAAF Nc1nc(N[C@H](CC(=O)O)C(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1 40939542 CISNXJXEYKMYPX-ZCFIWIBFSA-N 404.276 -1.100 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@@H]2O 100898602 KDKROYXEHCYLJQ-GSNOGBQSSA-N 424.402 -1.514 0 1 HAAF in-vitro O=C(O)[C@]1(O)C[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]([C@H](O)CO)O1 238755297 DUZKJPNVBIBICC-LZUPABFGSA-N 400.333 -5.552 0 1 HAAF C/C=C1\[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)OC 238767450 PNLZHIXZJTYUDR-QTNJPUSNSA-N 404.368 -1.747 0 1 HAAF CN(C)C(=O)[C@H](N)CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 299856477 IWKYMNLVJNVWHH-BDMGVTFQSA-N 411.488 -1.434 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(=O)O 34311308 KAHUBGWSIQNZQQ-QLFBSQMISA-N 407.471 -1.385 0 1 HAAF biogenic O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O 253682057 GFBCCYAUTYOZMC-RXRWUWDJSA-N 404.094 -2.454 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1CCO[C@]2(C)O 2356655070 WHAPPFLYHSDHAN-PBQBWDDISA-N 406.384 -2.423 0 1 HAAF CCCN(O)C(=O)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O 13814505 MWNYPJZEPXNOON-IUCAKERBSA-N 408.433 -1.182 0 1 HAAF in-vivo O=P(O)(O)O[C@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O 26825419 BGGUSFMGMVDPIN-RXRWUWDJSA-N 404.094 -2.454 0 1 HAAF Oc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356572771 NOUKECIOLFROLB-VYTHCEKISA-N 404.368 -2.966 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O 84705186 FPMINOYRMCNUPV-DDQZHWFXSA-N 417.459 -1.329 0 1 HAAF Cn1nnc2ccc(Cn3cc(CN[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]4O)nn3)cc21 101409717 VRTDGOGVAXEUAJ-ZDVFKUJDSA-N 405.415 -3.116 0 1 HAAF COc1cncc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c12 587235517 PGTBQURDYVRPJU-MEZTUJMESA-N 412.399 -2.520 0 1 HAAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 587616610 KWUSOKWHHHTOJV-ZILYPSHYSA-N 422.386 -1.481 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@@H](N)Cc2ccccc2)[C@@H](O)[C@H]1O 61945112 URZPVGALEPLQFQ-QTOWJTHWSA-N 413.438 -1.286 0 3 HAAF CCCC[C@@H](NC)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49089672 YYDGPMVJEFGKJC-UOHJYFIVSA-N 414.415 -2.497 0 1 HAAF CO[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](OC)[C@@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@H](O)[C@@H]1O 95565415 RHZZTOCGEJEAEQ-ZQLBHJPPSA-N 411.404 -3.945 0 1 HAAF C[C@@H]1O[C@H](O[C@@H]2[C@H](OCc3ccccc3)O[C@H](C)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238735816 FATHCROGETVVAY-MFBIIWMUSA-N 400.424 -1.118 0 1 HAAF COC(=O)C[C@@H](C)C(=O)c1cccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356620629 ZVFWDSLLUZMSDS-JRWRKXJMSA-N 400.380 -1.047 0 1 HAAF CC(=O)OC[C@@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17193679 RIOXASLXDGZHON-WHPHWUKISA-N 417.346 -1.673 0 1 HAAF O=c1ccn([C@@H]2[C@H]3C[C@@]3(CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[n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c2nc3cncc(Cl)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235447 NEZMDWWXPMSNTJ-YORZOEANSA-N 416.818 -1.875 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2CO 2356479185 GTEDLLYKAJRTNK-KABKSMEGSA-N 406.384 -3.178 0 1 HAAF COc1cc([C@@H](O)[C@H](O)CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 28643777 VIKGCVPVRTWXMM-RYUTVSPOSA-N 406.384 -2.731 0 1 HAAF biogenic,in-vitro O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@H]1O 100827387 RBNRMSRJWILJMU-UZQVJNKOSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CCCC(=O)N[C@@H]1[C@@H](CO)O[C@H](O[C@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O 163896566 MYZPFWFUSVUBQI-SRELDYGVSA-N 411.452 -4.904 0 1 HAAF O=C1CCC=C[C@@]1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257401875 CZDNLUMNELLDDD-UNCDKZIBSA-N 424.402 -1.441 0 1 HAAF Cc1cc2c(c(C)c1CC(O)O)C(=O)[C@@H](C)[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466825 UGOPGIWAZTVIOJ-NJGUWCPVSA-N 412.435 -1.153 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@]31O)O[C@@H](C)C(C)(C)C2=O 2356484545 YSKRVHAAQGSYFK-DFSZBMSQSA-N 422.434 -1.267 0 1 HAAF Nc1nc(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]2O)cc1Br 12504522 KOHPTSGPCYTYFB-MNCSTQPFSA-N 402.094 -1.684 0 1 HAAF in-vitro COC(=O)C1=C2C[C@H](O)[C@@H](C)[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H]1OC 95914330 PSQQPRMLISSRFV-DWDSXHAQSA-N 420.411 -2.382 0 1 HAAF biogenic,in-vitro O=P(O)(O)OC[C@@H]1O[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 109564288 LABSPYBHMPDTEL-IZMJDGNESA-N 422.276 -5.280 0 1 HAAF C[C@@H]1C[C@@H](O)CC(C)(C)[C@]1(O)C=C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356565496 YIAQIGPDWXVEJQ-MDGVASKFSA-N 406.472 -1.732 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@H]12 95913697 YWYMRDWOSVYTFC-MIUJCQSESA-N 416.423 -2.552 0 1 HAAF biogenic,in-vitro C[C@H](N)C(=O)N[C@@H](CCO)C(=O)N[C@@H](CC(=O)Oc1[nH][nH]c(=O)c1O)C(=O)O 145302116 OSMOXHWFOQKIKE-ACZMJKKPSA-N 403.348 -3.512 0 1 HAAF C[C@@H](CO)[C@@]1(O)C[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@]14C 257472990 LIGPZBKBGCJTGC-KBBKMBJKSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man OC[C@@H]1O[C@@H](Oc2ccccc2)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378035 TYALKKBMRDZWLW-LWPYOLOPSA-N 418.395 -3.311 0 1 HAAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCNCC3)[C@@H](O)[C@@H]2O1)N1CCS(=O)(=O)CC1 2356597720 SIUAXZCKJHKVLC-KCEFYPGHSA-N 417.528 -1.739 0 1 HAAF C[C@H]1SC[C@H](C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 11616832 RSHMQGIMHQPMEB-GWNIPJSYSA-N 408.484 -1.467 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O 31672937 GGBYVYDNNBAHOS-KBNOKHGBSA-N 403.395 -1.097 0 1 HAAF OC[C@H]1O[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 138048143 DNQLAJVVANZDQA-HPRVZKPSSA-N 414.360 -5.656 0 1 HAAF C[C@H](N)C(=O)N[C@H](CCO)C(=O)N[C@H](CC(=O)Oc1n[nH]c(O)c1O)C(=O)O 2356527909 OSMOXHWFOQKIKE-RRKCRQDMSA-N 403.348 -3.100 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356709508 HWEINOMSWQSJDC-TUAOUCFPSA-N 415.495 -2.057 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 14859214 VLAZYPZGDJXPDY-NYEYPAATSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man O=S(=O)(O)OC[C@@H]1O[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1O 33821343 GRHWGVDHRAZFMQ-RUTHBDMASA-N 420.348 -3.740 0 1 HAAF in-vitro CC(=O)c1sc2c(c1C)C(=O)N(N)[C@@H](S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)N2 49112424 HUOGBAPZHNHBTD-MBKGVRQPSA-N 419.481 -1.183 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2NC(C)=O)O[C@H](CO)[C@@H](O)[C@@H]1O 58468618 FJGXDMQHNYEUHI-KSKNGZLJSA-N 424.403 -5.110 0 1 HAAF C[C@H]1C(=O)O[C@H]2C3=C(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C=CC3=C(CO)CC[C@H]12 2356405292 OKFZDVVBDJWAMD-FZGHNTFSSA-N 424.446 -1.070 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5C[C@H](C(C)(C)CO)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 2356624812 PMHYHZBGMYBWAJ-SBNBOGCASA-N 424.402 -1.368 0 1 HAAF COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12 5760341 DKSFGHQZRXXSTP-ZBEKZBPJSA-N 402.352 -2.137 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 85982786 DZMYOBBWRZTUTA-PJHWHLRFSA-N 414.407 -2.028 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@]2(C)O 2356431549 VIXATJMNFXMPDC-OKZISKQPSA-N 406.384 -3.036 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@@H](O)C[C@H]2CO 2356640801 RIBQJGUEBPBXHM-ZIHKCSFLSA-N 406.384 -3.178 0 1 HAAF N=c1c(O)c(O)/c1=N\CCC[C@@H](N)COC(=O)N[C@@H](CCCCN)COC(N)=O 34086875 BKZPFMLMIDIMAC-NCWJXIHISA-N 414.463 -1.220 0 1 HAAF Nc1nc(SCC[C@H]2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 45291358 YMCJJBIBVPMGMO-OPYVMVOTSA-N 413.456 -1.082 0 1 HAAF C[S@@](=O)c1nc(N)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 49089271 YJIBFSDNXPFNSJ-LDXHDWPLSA-N 409.317 -2.126 0 1 HAAF C[C@H](O)C=C[C@@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 2356632779 SGUOENJPMRQEMJ-BWQZHGFZSA-N 406.472 -1.589 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 12502047 LABSPYBHMPDTEL-ORPBLZQESA-N 422.276 -5.280 0 1 HAAF NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@@H]3OC[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1 49771168 REMNCORQHDWPMC-LWIKIFOSSA-N 421.495 -4.628 0 1 HAAF O=C1C[C@@H]2S[C@@]34C[C@@H]1[C@@H]([C@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@H](S1)[C@H](O)[C@H]3N2C4=O 101455443 KFDSXBGPHVNSIT-PLFLVPLZSA-N 422.484 -1.275 0 1 HAAF COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O 587448932 NILOYBMGQBEVOY-WSTWGYHLSA-N 420.307 -1.636 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@]12C 2356606847 GWPQGHMAOBGLQY-MLATYZCOSA-N 402.396 -1.841 0 1 HAAF C[C@](O)(CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 257470749 LCIXUGGPLIEEGU-FLLFRLODSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man O=P(O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H](O)[C@@H]1O 26750252 MMWCIQZXVOZEGG-PQRKRRIQSA-N 420.093 -3.484 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=O)NCc2ccccc2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84668579 LSTQJLGSBLTZHO-IHWGESPNSA-N 423.422 -1.560 0 1 HAAF CN1CCN(C(=O)[C@@H](N)CSSC[C@H](N)C(=O)N2CCN(C)CC2)CC1 209389969 OTZBBNVLKDUVJM-KBPBESRZSA-N 404.606 -1.430 0 1 HAAF C[C@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@@H](O)[C@@H](O)[C@H]1O 238738998 CXUKHOAIYNXPCX-IBUXAHAFSA-N 404.412 -1.394 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@H](O)[C@@]5(O)OC[C@@]34[C@@H]5[C@]2(C)[C@H](O)[C@H](O)C1 2356759449 QASFGTPMWKRNSJ-MCXNZHOWSA-N 412.435 -1.812 0 1 HAAF CC1=C2[C@H](O)[C@H](O)[C@@]3(C)[C@@H]([C@H](O)[C@]2(C(C)(C)O)C[C@@H]1O)[C@@](O)(CO)[C@@H](O)C[C@H]3O 13301275 WRININRVLQXOBB-BLNXVTMSSA-N 418.483 -2.608 0 1 HAAF biogenic O=c1nc(O)cnn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 1857558968 NAUWTFOEAFWMTI-XVFCMESISA-N 403.177 -2.700 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@@H](O)[C@]12O 2356607113 QFXBACSTYFPXFG-GOBSUFJUSA-N 422.383 -4.064 0 1 HAAF C[C@H](NC(=O)[C@H](N)CCCCNC(=O)[C@@H](CCC(N)=O)NC(=O)CN)C(=O)O 13368046 IJFLDLYNHBRNLJ-HBNTYKKESA-N 402.452 -3.102 0 1 HAAF biogenic CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@H](n2ccc(=N)nc2O)O[C@@H]1C(N)=O)C(=N)N 2356785349 ABWQJHQBCNRNIY-PJQZNRQZSA-N 421.462 -2.575 0 1 HAAF CCCC[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49112823 MJLANALQVVJGQU-DWHAPKPYSA-N 400.388 -2.757 0 1 HAAF CSCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)O)C(=O)O 85808398 OGZNUDJBIAOLAA-GUBZILKMSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man Cc1cn([C@H]2C[C@@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O 95618633 RDVUSEMLHAXQRK-PVIMVXCNSA-N 417.371 -3.631 0 1 HAAF in-man C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95909861 YIAQIGPDWXVEJQ-LIMBPXAQSA-N 406.472 -1.732 0 1 HAAF biogenic,in-vitro C[C@@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@]1(C)O 2356421705 RPJREIHZBZFGOB-BDEDDBHHSA-N 404.456 -1.824 0 1 HAAF OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2O)[C@H](O)[C@H]1O 85431979 FUDXMJHOJWYSEJ-JNWJLFJFSA-N 414.360 -5.656 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@]2(O)CO 95911598 DPORNVNPTRLCKZ-RWTMYMGSSA-N 422.383 -4.064 0 1 HAAF biogenic,in-vitro OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@@H]3O[C@@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 100829898 FHLVHZWPBBNFQR-RTNOBIBYSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 27846970 QMDZPOJZRZEFED-KIBMCXTASA-N 400.384 -3.326 0 1 HAAF O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1 45324058 VAZIBAQQXATRMK-ZOQUXTDFSA-N 418.257 -1.138 0 1 HAAF COCCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(N)ncnc21 58632852 SZPMFMOOEUYAMU-QYVSTXNMSA-N 405.304 -1.192 0 1 HAAF in-vitro CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@@H]12 2356478730 PIFFAIMSAYMMCE-MMRWSBQSSA-N 418.395 -2.868 0 1 HAAF C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356699599 YASQSQYNAKRYLD-UZNYXSHQSA-N 400.377 -4.992 0 1 HAAF CC(=O)NC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27562192 ZELVGCWVJBOGJU-OUQNRHAVSA-N 417.371 -4.245 0 1 HAAF CN1C[C@@H](SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)C[C@H]1C(=O)O 62178684 IEBDFAUMOQPAOE-TVDBPQCTSA-N 410.456 -1.082 0 1 HAAF N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)O 96095059 FOXXZZGDIAQPQI-XKNYDFJKSA-N 404.376 -4.182 0 1 HAAF in-vitro NC1=NC(=O)[C@@H]2N=C(c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)CO[C@H]2N1 253634572 FMDCGKMELCGRDQ-AKWBHNSASA-N 417.378 -1.307 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@@]2(O)CO 2356532677 TZVOANVHPCUBIU-WWHQRWETSA-N 422.383 -4.064 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@]2(C)O 2356670548 SCXMMKUKDINSDI-XXEODAGFSA-N 404.412 -2.577 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCCc2ccccc2)[C@@H](O)[C@H]1O 14651710 ZRGXCWYRIBRSQA-GGKNJYOYSA-N 416.423 -2.491 0 1 HAAF endogenous,in-man COc1cc([C@H](O)[C@@H](O)CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 28643780 VIKGCVPVRTWXMM-KAUBVSFJSA-N 406.384 -2.731 0 1 HAAF NS(=O)(=O)c1ccc(NC(=S)N[C@H]2[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]2O)c(F)c1 28825906 GKFNQSJQCXICPM-ZIQFBCGOSA-N 411.433 -2.441 0 1 HAAF Nc1nc2c(ncn2[C@@H]2O[C@H](CCSCP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 169323568 WTJZYNMDZIBYFO-IOSLPCCCSA-N 407.345 -1.421 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=N)NCCCCN)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 49803170 PPUHIFUXJJVYMO-NRFQWKTPSA-N 403.436 -3.206 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)[C@@H](C)O 96095005 FCXAUASCMJOFEY-NDKCEZKHSA-N 400.476 -1.194 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]2(O)[C@H](C)CC(=O)[C@@]12O 2356384258 NCWNKJPLFYBFLX-CVIAWNHFSA-N 420.367 -3.713 0 1 HAAF CC(C)C[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356496489 VZBIUJURDLFFOE-MJBXVCDLSA-N 424.506 -1.357 0 1 HAAF Cc1cn([C@@H]2C[C@@H](O)[C@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 1652915 IAKYOCQVAMMWCY-DYEKYZERSA-N 417.382 -2.317 0 1 HAAF CCCCC[C@@](O)(COP(=O)(O)O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O 84635859 GACFGVWHDZXULL-CHWFTXMASA-N 412.265 -1.401 0 1 HAAF O=S(=O)(NCCOCCOCCOCCO)N[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 473088634 PCAIKLBALYMESD-NDBYEHHHSA-N 404.438 -4.109 0 1 HAAF Nc1nc(N)nc(NCCCNCCCCNCCCNc2nc(N)nc(N)n2)n1 13864362 VQGJGGUXMNELAN-UHFFFAOYSA-N 420.530 -1.351 0 1 HAAF C[C@H](O)[C@@H](O)[C@@H]1C[C@@H]2N[C@H]([C@@H](O)[C@H](C)O)C[C@@H]3N[C@H]([C@H](O)[C@H](C)O)C[C@H](N1)N32 2356485304 ATZBQHDMBPFAHL-MNLQJBRXSA-N 404.508 -3.423 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](F)[C@H]1OP(=O)(O)O 299811541 DQKWTOBKSULEKU-JIGFOQOZSA-N 422.084 -2.506 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)OCc2cccs2)O[C@H]1[C@H](O)[C@H](O)CO 299852564 UTCOLHYKHHPJCD-XBELCUABSA-N 424.422 -1.260 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@@H](O)[C@H]2O)cc1 85982782 DZMYOBBWRZTUTA-ATTBXUMLSA-N 414.407 -2.028 0 1 HAAF in-man COC(=O)[C@]1(OC)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CCP(=O)(O)O)O1 96272822 WAPLZNUAHXQGET-AIUQGNKQSA-N 415.332 -2.554 0 1 HAAF COc1cc([C@H](O)[C@@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1OC 238776618 VVQORBWCJVXQBI-AWANAJDDSA-N 420.411 -2.077 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]12O 100229966 LMEHVEUFNRJAAV-ZGMWZCSQSA-N 424.402 -1.370 0 1 HAAF biogenic,in-vitro COC(=O)OC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](F)(C(=O)OC)[C@H](F)[C@H](N)[C@H]1NC(C)=O 299852130 NWHJAMVGXQVFDE-ANINLJSHSA-N 400.331 -2.101 0 1 HAAF Nc1nc(=O)c2nc(-c3ccc(F)cc3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2c(=O)[nH]1 28650377 TUBFARPGRNCVCW-LKGUXBDMSA-N 405.342 -1.520 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356335661 CMNGMGGJQXLNNS-QXLCQXQMSA-N 410.460 -1.765 0 1 HAAF COc1cc(C(=O)O)ccc1O[C@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356700146 YHVRMRPNSSPKAB-MOWSAHLDSA-N 410.353 -1.601 0 1 HAAF CC[C@@H](C)[C@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)O 13375804 GZUZMJQLRANFIY-BIMSSTTISA-N 401.460 -1.006 0 1 HAAF in-vitro CC(=O)OC[C@H]1O[C@H](n2cc(F)c(=O)[nH]c2=O)[C@@H](N)[C@@H](OC(C)=O)[C@@H]1OC(C)=O 17193681 RIOXASLXDGZHON-OKWIKPQFSA-N 417.346 -1.673 0 1 HAAF Nc1ncnc2c1c(-c1ncco1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857602994 NMPWZUOXVNWRGI-FITJORAGSA-N 413.372 -2.097 0 1 HAAF COc1ccc(Cn2c(=O)n([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1 27106461 MVJCRZFPDBQJCZ-MZXFEWSRSA-N 419.394 -1.863 0 1 HAAF CC(=O)O[C@@H]1CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@@H]21 2356360816 OUZVTXNZEYSSSQ-UQLHUNCNSA-N 404.412 -1.535 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@H]2C 2356471264 MQSFSEGMDJUVRU-GUPOGQFGSA-N 404.412 -1.761 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 13376354 VLAZYPZGDJXPDY-ANFIEKOOSA-N 402.396 -2.534 0 1 HAAF in-man O=c1nc(NCCc2ccccc2)[nH]c(=O)c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13528488 HFCQNAODXVYNRS-XKLVTHTNSA-N 415.406 -1.254 0 1 HAAF COC(=O)C1=C2C[C@@H](O)[C@H](C)[C@H]2[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1OC 2356389299 PSQQPRMLISSRFV-RIEQYBMSSA-N 420.411 -2.382 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 2356390260 VLAZYPZGDJXPDY-SBSGVJPOSA-N 402.396 -2.534 0 1 HAAF COc1cc([C@@H](O)[C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356623165 SBBZLYAYBZBMAP-NOHPKHAGSA-N 404.412 -1.049 0 1 HAAF CN(C)c1nc(N(CCO)CCO)nc2c(N(C)C)nc(N(CCO)CCO)nc12 1604425 DSXWYDOIBJBCKJ-UHFFFAOYSA-N 424.506 -1.866 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 13376355 VLAZYPZGDJXPDY-QJLQJGOFSA-N 402.396 -2.534 0 1 HAAF in-man NCCOC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 13649200 YKXHACQXQWHBNT-XQCAHXHJSA-N 417.375 -4.972 0 1 HAAF Nc1ccn([C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 49020866 ZWIADYZPOWUWEW-JBBNEOJLSA-N 403.177 -2.329 0 1 HAAF Cc1cn([C@@H]2C[C@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@H](CO)O2)c(=O)[nH]c1=O 5847271 MFFOUDZYFVDVOU-OBJOEFQTSA-N 417.382 -2.144 0 1 HAAF NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc1 14958112 QAZLXIBIOAGZNF-UXXRCYHCSA-N 416.412 -2.769 0 1 HAAF O=P(O)(O)O[C@H]1C[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1O 169342884 GHYKQXTYUPPQMF-YJRYQGEOSA-N 404.094 -2.454 0 1 HAAF Cc1c(F)ccc2c1[C@H]([C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)NCC2 962301418 RUBQIYFBSOFBFK-BSDBPVLSSA-N 417.430 -2.141 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c2NS(=O)(=O)N=C3O)[C@H](O)[C@@H]1O 14979160 JCAQMQLAHNGVPY-UUOKFMHZSA-N 400.262 -2.414 0 1 HAAF in-vitro NC(=O)N[C@@H](CC[C@@H](N)C[C@@H]1O[C@@H](n2cnc3c(N)ncnc32)C[C@@H]1O)C(N)=O 33856035 YMZIVNTXFCXHQI-ORMBPQIASA-N 407.435 -1.923 0 1 HAAF in-vitro NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)[C@H](O)[C@@H]1O 84634203 KAFHNIZTKMFXBX-IDTAVKCVSA-N 416.416 -2.498 0 1 HAAF CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCCCNC(=N)N 96930005 YDBWUUPLXSDJNP-GJZGRUSLSA-N 414.555 -1.777 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@H](n2cnc3c(N)ncnc32)[C@H]1O 2356344142 ZUGFBNMTMJLCQZ-ZMINIUFMSA-N 418.303 -1.965 0 1 HAAF CSC[C@H](N)C(=O)N[C@H]1[C@H](O)[C@H](n2cnc3c(N(C)C)ncnc32)O[C@H]1CO 2356716284 INAIUCSAMKOUMV-SVHRHXPPSA-N 411.488 -1.682 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2cccs2)C(N)=O)C[C@H](O)[C@H]1O 2356824703 GXQMRWWFIXZPOH-NSAPBPOKSA-N 410.496 -1.595 0 1 HAAF N[C@@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 27989460 RHUZQIJSAKZPDO-CTBIGQHSSA-N 419.109 -3.517 0 1 HAAF N[C@H]1[C@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H]3O[P@@](=O)(O)O[C@@H]23)O[C@H](CO)[C@@H](O)[C@@H]1O 95636302 ZULNQPCZALKHMF-ZWLBLZHVSA-N 403.277 -4.881 0 1 HAAF in-vitro CN(O)NCO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356832084 JTNFGWPIXZNJQJ-JQAAEUPCSA-N 416.380 -5.590 0 1 HAAF NC(=O)C[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(N)=O 13685252 WIXSHIHLPGBRFA-GJZGRUSLSA-N 400.439 -1.085 0 1 HAAF CC(C)[C@H](NC(=O)[C@@H](N)CCNC(=N)N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)O 2356627927 ANAHQDPQQBDOBM-ZNMIVQPWSA-N 422.486 -1.155 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O 14617958 XSCVKBFEPYGZSL-GISPBLRISA-N 404.368 -1.747 0 1 HAAF endogenous,in-man CSCC[C@@H](NC(=O)CC[C@@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O)C(=O)O 15261467 OGZNUDJBIAOLAA-OPRDCNLKSA-N 407.445 -1.149 0 1 HAAF endogenous,in-man CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@H]2[C@H]1O 2356288840 LNLUSVBOSBSQIQ-XYTFPVCRSA-N 419.500 -1.373 0 1 HAAF CCCCO[C@H]1C[C@H]2[C@@H](C(CO)=C[C@@H]2O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356434923 JLNVQROWZIIJAE-KVKMKKRBSA-N 420.455 -1.782 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356509657 XEGUBLZOESPNQE-NYAKCOCZSA-N 418.395 -2.656 0 1 HAAF O=C1N[C@H]2[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2c2cc3c(c(O)c21)OCO3 38427191 WNYLMOZZKDIAMD-SJVCOQNSSA-N 405.252 -2.109 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 38664849 LABSPYBHMPDTEL-JILIELIZSA-N 422.276 -5.280 0 1 HAAF in-vitro,metabolite NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 45254449 DDOHHRUODNXYAC-QRZGKKJRSA-N 405.378 -6.101 0 1 HAAF C[C@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)O 143696974 RPJREIHZBZFGOB-FOEGZGEUSA-N 404.456 -1.824 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 587608309 KWUSOKWHHHTOJV-LKMSUHFBSA-N 422.386 -1.481 0 1 HAAF O=c1cc(O)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 1857548794 YNCOOFKWZGAQLG-QCNRFFRDSA-N 401.201 -1.490 0 1 HAAF CNCC[C@H](CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)NC(=N)N 14557972 VLSNCRSMCQBBPG-JYILRKAJSA-N 422.446 -2.300 0 1 HAAF biogenic CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 14957619 IBIPGYWNOBGEMH-BVSKYHMLSA-N 414.363 -2.296 0 1 HAAF CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 66078223 XMEAOSKAEHMIKO-PELBVDOCSA-N 404.431 -1.648 0 1 HAAF CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 66259746 XPAUCTZKSHWPRS-BTYYOPCCSA-N 418.417 -4.691 0 1 HAAF CCO[C@@H]1[C@H](O)[C@@](C)(O)[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C[C@@]12O 2356448694 MHYVWKYVYRJMMP-RGDKHTDOSA-N 408.400 -3.449 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)c1=O 5030538 GGBYVYDNNBAHOS-MZXFEWSRSA-N 403.395 -1.097 0 1 HAAF in-vitro NCC(=O)NCC(=O)Nc1ccc(S(N)(=O)=O)cc1I 13800641 YTDKLNFVUZEWBQ-UHFFFAOYSA-N 412.209 -1.048 0 1 HAAF N=C(N)NCC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O 14860303 OJVBAQZCFZMOBW-FQPOAREZSA-N 408.419 -2.561 0 1 HAAF biogenic C[C@H](O)C=C[C@@]1(O)[C@]2(C)CO[C@@]1(C)C[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2 2356440314 WLKZBLXGVRKFFG-ZSMSRLCJSA-N 404.456 -1.571 0 1 HAAF COCC(=O)O[C@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O 40608966 NNONZLUPBQRBKD-YJJFTSBOSA-N 421.200 -1.289 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1OCC1=COC[C@H]2[C@@H]1C[C@H](O)[C@@H]2CO 238750537 MXOBDDWKFHUARP-XEDNMXAHSA-N 404.412 -2.107 0 1 HAAF CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)C(=O)NCC(=O)O 253633983 LHQMUBQLSPLSIO-SMGADJFQSA-N 408.360 -4.279 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)OC[C@@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257509003 PADHSFRQMFRWLS-ZINXWEDRSA-N 400.380 -1.874 0 1 HAAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)O2 587406769 FEMWODLGIUAIIS-XGFWRYKXSA-N 407.312 -1.536 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 14443278 DSDFXGQRZAFFQA-GWJAAGMZSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(O)cc1)C(N)=O 95615306 UTONSZTXKQBYQC-APYUEPQZSA-N 419.482 -1.252 0 1 HAAF in-vivo O=S(=O)(O)CCCN1CCN(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)CC1 98208930 DAJNLGJHGLHERP-UXXRCYHCSA-N 414.477 -3.302 0 1 HAAF in-vitro CC(=O)O[C@]1(C)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)(O)[C@@H]3O)[C@H]21 2356416918 KELLJUHWUXKGKO-XQZNFJBWSA-N 422.383 -3.573 0 1 HAAF COc1cc2c(cc1CNC[C@H]1O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]1O)OCO2 61922380 IACJBIQZUBMCQC-MWQQHZPXSA-N 406.395 -1.028 0 3 HAAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@H](C)O)C(=O)O 40953468 VWOKOWYAFVGHDQ-SXTJYALSSA-N 418.447 -2.226 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O 64633735 WXRMULXJDGUOQT-HIFJQVTGSA-N 423.459 -2.139 0 1 HAAF in-vitro NC(=O)C=C(NC(=O)CNC(=O)[C@H](O)CO)C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O 2356394436 CFFFTCICFURLIB-NKWVEPMBSA-N 423.360 -5.929 0 1 HAAF CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27638925 ZDXKZIJDPSJMLR-AWEZNQCLSA-N 414.440 -1.595 0 1 HAAF CCCC[C@H](NC)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 40519992 YYDGPMVJEFGKJC-PQQRRUNDSA-N 414.415 -2.497 0 1 HAAF O=C(O)C1=C[C@H](OC[C@@H](O)[C@H]2O[C@@](O)(C(=O)O)C[C@@H](O)[C@H]2O)C[C@@H]([C@H](O)CO)O1 64634114 UNHDIKYSAGHBNY-KWOHMGQJSA-N 424.355 -3.873 0 1 HAAF in-vitro O=c1nc(NCc2ccccc2)[nH]c(=O)c2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13528485 KFMMSYDRLOMINX-IWCJZZDYSA-N 401.379 -1.297 0 1 HAAF COc1cc2c3c(c1)O[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O)[C@@H](C2)C3=O 587448929 NILOYBMGQBEVOY-GERXJZJRSA-N 420.307 -1.636 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@@H]1O[C@@H](O)C[C@@H]1O 2356740351 AIWQBXPYUYKLDD-UCKHGQTESA-N 410.205 -1.827 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 14443276 DSDFXGQRZAFFQA-NZFSWZEMSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24 255272333 UWYRJXAFHUSILA-COVYVVSUSA-N 412.435 -1.956 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356516705 GZSQKOFXMZDKPV-YQPWEIMNSA-N 416.423 -2.490 0 1 HAAF OC[C@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 257566291 VLAZYPZGDJXPDY-GHQABMQASA-N 402.396 -2.534 0 1 HAAF endogenous,in-man O=C1OCC[C@@]2(O)C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@H](O)CO 2356596351 GYWSUCYZXMXNFD-GAKOMCPZSA-N 408.356 -4.310 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(C(=O)O)=CC[C@H]12 2356677881 YJKFNTLLJXVFFB-CRRFNSQXSA-N 402.352 -2.137 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@@H](O)[C@H]12 255260575 QDEYKGKBMCIYCT-UADFDMDQSA-N 406.384 -3.180 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@H](O)[C@]12O 256106309 LGTHGFVYOAZGBN-IEWUSXSCSA-N 422.383 -4.065 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C(=O)O 2356459156 APGVKQBABWXTCS-PJIJKIJESA-N 420.367 -3.086 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356526791 LREJRSFSOHVXFP-DZEWJZRGSA-N 418.395 -3.178 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C(=O)C[C@H]2CO 2356741414 JTIRVAMILJQVBT-YLNQQQRDSA-N 404.368 -2.970 0 1 HAAF C[C@H](/C=C\[C@@]1(O)[C@H](CO)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238787729 HNFCTWJBJGEYGD-JCPKOTLYSA-N 404.456 -1.524 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](C)C[C@]2(C)O 2356431322 LKEDDJNDLLFHTN-OOZQHRJOSA-N 404.412 -1.761 0 1 HAAF OCCCc1ccc(O[C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(O)c1 238786499 VFCCWDAKRDTVDJ-DYMAYKCJSA-N 404.412 -2.127 0 1 HAAF COc1ccc(C(=O)N[C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)cc1 1857536943 RDBQFQZQSDDLSP-IHWGESPNSA-N 424.406 -1.620 0 1 HAAF O=C(NC[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1N1CCN(C2=CC=C[CH]N2)CC1)N1CCOCC1 2356319428 GFMJDHOSXWTKFN-ISARSNTHSA-N 422.506 -1.702 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998109 XXABJEPVVSRKKB-CGEWXTDFSA-N 407.408 -1.147 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(C)ccc(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236109 ZPYUFQUNTGZVRX-SUMSHCCWSA-N 409.439 -1.307 0 1 HAAF CC=C(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356661393 ZMIQCOSRPMWYLS-IBSHSAKGSA-N 424.399 -3.880 0 1 HAAF O=C(O)COCC(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@H](OCC4CC4)CN3C(=O)[C@H]2C1 2356809020 AMRDVQXDLSPJTO-BARDWOONSA-N 409.439 -1.027 0 1 HAAF C[C@@H]1[C@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(O)nc(O)n3)N[C@@H]3NC[C@@H]1N23 2356834201 KMDOTOMOSCRTQE-XPXVTUDXSA-N 417.444 -1.563 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O 58640361 GFBCCYAUTYOZMC-PHYPRBDBSA-N 404.094 -2.454 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)[C@@H](O)[C@]12O 169662005 LGTHGFVYOAZGBN-FSYGCVNSSA-N 422.383 -4.065 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(O)(O)[C@H]3O)[C@H]12 238734472 KELLJUHWUXKGKO-QVHNZISFSA-N 422.383 -3.573 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257476678 LRRKTNFBBSNZEN-QJIKKNGASA-N 418.439 -1.824 0 1 HAAF endogenous,in-man COCC(=O)N1CCN(C(C)=O)C[C@@H]1C(=O)N[C@@H](Cc1cccnc1)C(=O)OC 25418699 FOVBNHIBIBYHAM-JKSUJKDBSA-N 406.439 -1.012 0 1 HAAF biogenic CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccnc(Cl)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235727 PYOOZFYQBZJPRA-QXHUBSRTSA-N 416.818 -1.875 0 1 HAAF N=c1[nH]ccc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)NC(=O)CN)[C@@H](O)[C@H]1O 1857755709 VBRNUBSRGNZDHL-GDECHXLSSA-N 402.389 -3.201 0 1 HAAF CC(C)C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@]23[C@H](O)[C@@H]1OC(=O)[C@@H](C)[C@H]14 2356781860 CBAUUWCEZZNYTD-FNCCTDFLSA-N 424.402 -1.514 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1=O 16919974 GGBYVYDNNBAHOS-GXCBOPRBSA-N 403.395 -1.097 0 1 HAAF C[C@H](O)[C@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640566 LEAXFLBWBNRFEJ-SDBXPKJASA-N 416.412 -2.870 0 1 HAAF CCN(CC)c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84588032 VZORQSCSXTWTRD-IDTAVKCVSA-N 402.433 -1.488 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](C(=O)c3ccco3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356416158 KAXDLRWJSRWBER-QCOPVYDJSA-N 404.368 -2.844 0 1 HAAF Cc1cn([C@@H]2C[C@@H](O)[C@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 5543493 SJGIZVRSHOSUJA-MDZLAQPJSA-N 418.370 -2.922 0 1 HAAF C[C@@H](O)[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC[C@@H]1C(=O)N1CCC[C@H]1C(=O)O 26479884 LARBOEXDEZLHIV-FHUSYTEZSA-N 400.432 -2.762 0 1 HAAF CC[C@@H](O)c1cn([C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)nn1 34892355 WNTRNZUHJUZMDW-MRIXOBAXSA-N 400.388 -2.151 0 1 HAAF Cc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O[C@@H]2OC[C@](O)(CO)[C@H]2O)c1 238745913 HMITWBGYLIMQAJ-WKTYNKDSSA-N 418.395 -3.007 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1N 1857552765 WPAZYCXBZKZHBO-HUKYDQBMSA-N 424.247 -1.669 0 1 HAAF C[C@@H]1CN1C[C@H](O)C[C@@H]1C[C@H]1COC(COC(CO)CO)COC(CO)CO 253637123 ZFLQPYGPDPYNQY-BZVYZKHTSA-N 407.504 -1.798 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@]12O 38321685 WUZGENDUAYSYJW-BKDJBYHXSA-N 404.368 -3.116 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](O[C@H]2[C@H](O)[C@H](O)OC[C@H]2O)[C@@H]1O 86005491 RBNRMSRJWILJMU-JKOOBDMESA-N 414.360 -5.656 0 1 HAAF in-man CC(C)CCO[C@@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 86049813 PPIXDGFHKZNFOD-QEEASZLOSA-N 412.432 -3.327 0 1 HAAF in-man C[C@@H]1C(=O)O[C@]2(C(=O)O[C@@H]3[C@@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CO[C@@]32O)[C@H]1C 255269349 SWEUUIPGSUQSBW-NDBPKPOQSA-N 420.367 -3.617 0 1 HAAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)O 587217251 ATEZUEVBIXVGCW-GXSJLCMTSA-N 402.371 -1.157 0 1 HAAF COc1ccc2c(c1OC)[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C)[C@H](C)C2 962633610 KFFIFDYZNYDZKO-PWJFVUAISA-N 401.456 -1.796 0 1 HAAF COc1cc([C@H](O)[C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356623172 SBBZLYAYBZBMAP-NRTWRSNSSA-N 404.412 -1.049 0 1 HAAF CCCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1 61928836 NLTZDWBURFSUCO-LYYZXLFJSA-N 418.468 -1.454 0 3 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14507246 LRRKTNFBBSNZEN-XHVLXZICSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man CN[C@@H]1[C@@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@]1(O)NC(C)=O 238733649 AZMAMVNEQRREQB-UFHFPBHUSA-N 403.480 -3.194 0 1 HAAF CC(C)=C[C@@]1(O)C(=O)C(C)(C)[C@H](O)C(C)(C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356330566 MADFHBUSPUXCHC-ACFJQOSMSA-N 418.483 -1.135 0 1 HAAF CSCC[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48999639 HONUZWQJZRNDFE-XQCAHXHJSA-N 418.428 -3.194 0 1 HAAF O=C(Cc1ccccc1)[C@@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356743442 COIWSEYSYQONRZ-HEYZBYJJSA-N 414.407 -2.896 0 1 HAAF Cc1cn([C@@H]2C[C@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O 100053985 RDVUSEMLHAXQRK-XIMNFXJVSA-N 417.371 -3.219 0 1 HAAF world O=C1OCC[C@]2(O)C1=CO[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]2[C@H](O)CO 2356596353 GYWSUCYZXMXNFD-LFMUIDOYSA-N 408.356 -4.310 0 1 HAAF CC(=O)c1sc2c(c1C)C(=O)N(N)[C@H](S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)N2 49783723 HUOGBAPZHNHBTD-XDXUPOFOSA-N 419.481 -1.183 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@@H]1CNc2[nH]c(N)nc(=O)c2N1 59211717 SWJBYJXTNZNTIR-YVVVJVBHSA-N 403.392 -3.876 0 1 HAAF in-vitro CO[C@H](C)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857610789 XIGHCNBVWDIZBS-KFRZGLEESA-N 404.405 -2.045 0 1 HAAF Cc1cn([C@H]2C[C@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 31895669 MFFOUDZYFVDVOU-OUCADQQQSA-N 417.382 -2.144 0 1 HAAF CC1=C2C[C@@H]3[C@@](C)(C=C2OC1=O)[C@@H]1C[C@@H]1[C@]3(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40935385 HCKVSBCCVCMKKB-NGHDLRGFSA-N 424.446 -1.033 0 1 HAAF NC(=O)CCCCCNC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 40975315 YKQSSTUVJDMJEJ-RVXWVPLUSA-N 423.430 -1.200 0 1 HAAF CCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(N)=O)C(C)C 149743179 LADORHAXPJCFIZ-IHRRRGAJSA-N 413.523 -1.335 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(C(C)=O)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235731 QDQOXVBOQASXOQ-DPIHELBLSA-N 423.422 -1.721 0 1 HAAF C/C(=C\c1ccc(OCC(N)=O)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O 29333752 FUOOYRUCWHSVBO-RZCZBECGSA-N 424.406 -2.018 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O 84705184 FPMINOYRMCNUPV-XKXSWVQISA-N 417.459 -1.329 0 1 HAAF COc1cc(CO/C=C/CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238775711 ZCDXFTYPYJCBBM-GHDOGOLHSA-N 402.396 -1.095 0 1 HAAF COc1cc(O)c2c(c1O)O[C@@H](O)[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=O 238786825 PQRKVWODCPXGQL-FYVACJNJSA-N 404.324 -2.815 0 1 HAAF CC(=O)NCC(=O)NCC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O 299864746 SAROQPRMEZEAQX-AGIUHOORSA-N 415.447 -3.101 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587831061 VOKDGFRITJDRMO-GTMUFIALSA-N 424.263 -1.254 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@](O)(CO)[C@@H]1O 2356406500 YHDAKZKWAOSYLU-NZYQLPNASA-N 420.367 -3.408 0 1 HAAF CC(=O)N[C@H]1[C@@H](COC[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@@H](C(=O)O)[C@@H](O)[C@@H]1O 2356688748 KTZKZQQLGYEMEB-IWFUMRMRSA-N 411.360 -5.119 0 1 HAAF N=c1ccn([C@H]2C[C@@H](O)[C@@H](COCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(O)n1 2356750736 AUKICVAWSKVJRQ-XNIWAQKBSA-N 419.387 -3.493 0 1 HAAF CS(=O)(=O)NC[C@@H]1O[C@H](CC(=O)N2CCN(C3=CC=C[CH]N3)CC2)[C@@H](O)[C@@H]1O 2356824324 KUDUFXFASVYIGB-DLTLXFJOSA-N 415.492 -2.278 0 1 HAAF C[C@@H](O)/C=C/[C@]1(O)[C@@]2(C)CO[C@]1(C)C[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2 137940385 WLKZBLXGVRKFFG-HONLRTPESA-N 404.456 -1.571 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@@H](OC)[C@H]12 238733129 XJZRHAMUBWIJEV-FUIAOSIISA-N 418.395 -2.604 0 1 HAAF OC[C@@H]1O[C@H](N2CCN([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)CC2)[C@H](O)[C@H](O)[C@H]1O 254110867 AAHLQODCOIMLFS-CVERSKHUSA-N 410.420 -5.796 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cncnc2)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430336 QBVLNTKAVSPZLD-KGLIPLIRSA-N 404.427 -1.829 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1[C@H](O)C[C@@]2(C)O 205408015 KKSYAZCUYVRKML-WVYOZNRDSA-N 406.384 -3.036 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12 2356478731 PIFFAIMSAYMMCE-OYBUGSLRSA-N 418.395 -2.868 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC(=O)O[C@@H]2C 2356658402 QZCJFXSHMSZCLH-VPIQDTBXSA-N 404.368 -2.216 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1NC(=O)c1cc(O)cc(O)c1 13782059 USWKJQTWIWBSFB-YAMOITTJSA-N 402.367 -1.131 0 1 HAAF CCCCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84635788 VWYLDCZBFFOYHI-SDBHATRESA-N 416.460 -1.098 0 1 HAAF O[C@H]1C[C@H](n2cnc3c(N4C[C@@H](O)[C@H](O)C4)ncnc32)O[C@@H]1CO[PH](O)(O)O 98209353 AFIPVZHEZSDVQA-VPJKUYQRSA-N 419.331 -2.580 0 1 HAAF in-vitro COc1cc(C[C@H]2CCC(=O)O2)cc(O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356380566 KPVLDYMZFUPBJG-IYZHTBTQSA-N 414.363 -1.080 0 1 HAAF C[C@H](O)C=C[C@]1(O)C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C[C@@H](O)CC1(C)C 2356589669 NQVCHILBOKUZIP-QOGHIIBKSA-N 404.456 -1.812 0 1 HAAF Nc1ccn([C@H]2C[C@H](O)[C@@H](COCO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)O2)c(=O)n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c1ccccc1 2356734180 XCYNBEZJSJGJGO-BQUYTGSISA-N 416.379 -2.893 0 1 HAAF C[C@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3[C@@H](O)C[C@@H](O)O[C@@H]3C)O[C@@H]2C)C[C@H](O)[C@@H]1O 136743228 KWAWXMNQPPKGQO-COWPPZAVSA-N 408.444 -1.403 0 1 HAAF O=P(O)(O)O[C@@H]1[C@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@@H]1F 169342662 DQKWTOBKSULEKU-WZWPATEWSA-N 422.084 -2.506 0 1 HAAF CC(=O)C[C@@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356474946 JXRURJXEYMRHCO-ADOWHCHMSA-N 406.384 -3.505 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)c1 2356560765 DXWKSZVPTMMDPT-JCUQEQFFSA-N 418.395 -2.656 0 1 HAAF Nc1nc2c(ncn2[C@H]2O[C@H](CO[P@](=O)(O)CC(=O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 48998272 YWTLGKCIOMEZNR-QIDLLAIKSA-N 405.260 -2.392 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC[C@@]2(O)CO 238734628 BUIDBCJSSFEBDL-AYDWLWLASA-N 406.384 -3.034 0 1 HAAF C[C@H](C=C[C@@]1(O)[C@H](CO)CC(=O)CC1(C)C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606217 HNFCTWJBJGEYGD-NVXNXJKOSA-N 404.456 -1.524 0 1 HAAF CC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H]1O 2356647598 QVYMNCVNZVHQEC-LXRAAAGBSA-N 412.388 -4.190 0 1 HAAF COC(=O)[C@H]1[C@H]2OC[C@]3(O)C=C[C@@H]1[C@@H]3[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O2 2356689774 YFEOPJWHUMIDGW-CEBGNAQRSA-N 404.368 -3.162 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O 39828913 LVCHEMOPBORRLB-DCAQKATOSA-N 403.436 -2.373 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)OC(=O)C[C@H]12 238766126 QZCJFXSHMSZCLH-BMMZPEMFSA-N 404.368 -2.216 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CC(C)=O)=CC[C@H]12 2356363080 GQPCBYJMUDSCJZ-MRLSLEHGSA-N 414.407 -1.242 0 1 HAAF N[C@@H]([C@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962892756 GVZIXMKYMYCBPV-DHTWFYRLSA-N 424.318 -2.015 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C(=O)O)=CC[C@@H]12 2356677882 YJKFNTLLJXVFFB-OTRSSRLPSA-N 402.352 -2.137 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2cccs2)C(N)=O)C[C@H](O)[C@@H]1O 2356824702 GXQMRWWFIXZPOH-LQHIQZRBSA-N 410.496 -1.595 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2ccccc2)C(N)=O)C[C@H](O)[C@H]1O 2356847324 OVYJPEIBIMXVNU-IDAWXYBZSA-N 404.467 -1.656 0 1 HAAF CCOC(=O)CNC(=O)[C@H](CSC(=O)N(C)O)NC(=O)CC[C@H](N)C(=O)O 5729311 GXEXZPUICLZJNX-IUCAKERBSA-N 408.433 -1.483 0 1 HAAF CC(=O)O[C@]1(C)C[C@H](O)[C@]2(O)C(C)=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 85510895 KPUSIQDGYABESP-DZQBUNJBSA-N 420.411 -2.503 0 1 HAAF biogenic,in-vitro CC(C)[C@@]1(O)[C@H](O)[C@H]2[C@]3(CO)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@]14C 2356368247 NJYHRMCKTLWXTE-BIZDFICPSA-N 400.468 -1.523 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356477109 WYSRAMKKFNDRPR-ZACOSQSXSA-N 400.380 -1.874 0 1 HAAF O=c1ccn([C@]23C[C@H]2[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1 45373179 JHFKAICFACMATE-IXERTSGWSA-N 414.200 -2.170 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O 64373376 CDOJPCSDOXYJJF-IZXYEPCWSA-N 424.403 -5.110 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@@]2(CO)OC 95913681 JBBLCGRIZVRWJC-MNIQVYHASA-N 418.395 -2.604 0 1 HAAF biogenic,in-vitro O=P(O)(O)O[C@H]1C[C@@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@@H]1OP(=O)(O)O 169373283 GFBCCYAUTYOZMC-FDROIEKHSA-N 404.094 -2.454 0 1 HAAF CC1=C[C@](O)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@](C)(O)[C@@]1(O)C=C[C@H](C)O 2356667807 QHHLSVRCVLRKCJ-INAOMSIFSA-N 406.428 -2.739 0 1 HAAF CC(=O)O[C@]1(C)CC[C@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356726471 MHPCGYUNJSQGDG-GHQABMQASA-N 404.412 -1.474 0 1 HAAF Cc1ccc(NC(=O)N[C@@H]2C=C(C(=O)N[C@H](CC(=O)O)C(N)=O)C[C@@H](O)[C@H]2O)cc1 2356809618 AROXAAJJSQDYKL-KQTLUZQSSA-N 420.422 -1.018 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](N)CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356709091 OLISTMZJGQUOGS-XNDJQWLSSA-N 401.468 -2.447 0 1 HAAF CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@H](NC(=O)CCN)[C@@H](O)[C@H](O)C1)C(N)=O 2356866955 VPQMHHFQWPVPSC-MEWQQHAOSA-N 406.461 -3.723 0 1 HAAF CC(C)[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 209652706 UFHLNIYKVUMLIV-XACBQSNXSA-N 420.503 -1.694 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@H]1O[C@@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 257504010 OMFHKRCSRGUKRK-AIABZAGBSA-N 406.365 -1.424 0 1 HAAF endogenous,in-man CC(C)Sc1nn([C@@H]2O[C@@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857608754 CDIBRSZOZOHBQK-FCCZHNFCSA-N 420.473 -1.252 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@]2(CO)OC 2356422197 JBBLCGRIZVRWJC-DEZWZCCYSA-N 418.395 -2.604 0 1 HAAF CC(C)(O)[C@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356560722 CHRIGVPNNGMWMG-DLPJJRSVSA-N 402.396 -1.960 0 1 HAAF CC(=O)O[C@@H]1[C@@H](OCC2=COC[C@H]3[C@@H]2C[C@H](O)[C@H]3CO)O[C@H](CO)[C@H](O)[C@H]1O 2356688806 MXOBDDWKFHUARP-KVQJKNMHSA-N 404.412 -2.107 0 1 HAAF C[C@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356755996 LCIXUGGPLIEEGU-IZSQIBBJSA-N 424.402 -1.336 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@@]56[C@H](C(C)(C)C)[C@H](O)[C@@H](OC3=O)[C@]64[C@@H]12 44032150 HNHJADMVWISUGS-DGPOPCRMSA-N 424.402 -1.514 0 1 HAAF in-vivo CC(=O)N[C@H]1[C@@H](OC[C@@H]2NC(=O)[C@H](CC(=O)O)NC2=O)O[C@H](CO)[C@H](O)[C@@H]1O 95601569 WLKVZPLLEIWOJM-YNRZGOLGSA-N 405.360 -4.595 0 1 HAAF CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O 2356490601 OTCHVZAGSBMQAL-PCIKCGCUSA-N 417.411 -1.725 0 1 HAAF C[C@@]1(CO)CO[C@@H](OC[C@H]2O[C@H](Oc3c(O)occc3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356537359 PPBQLEKMVJABAT-RHZNQRTLSA-N 420.367 -2.736 0 1 HAAF O=S(=O)(O)OC[C@H]1O[C@H](O)[C@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O 136252347 GRHWGVDHRAZFMQ-DVKNGEFBSA-N 420.348 -3.740 0 1 HAAF in-vitro O=c1nc(O)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1F 1857562929 FMLUJZYJYOSNRI-ZOQUXTDFSA-N 404.180 -1.118 0 1 HAAF COC(=O)[C@H](NC(=O)C1=C[C@H](NC(=O)COCC(=O)O)[C@@H](O)[C@@H](O)C1)C(C)C 25194531 LQKMEMWVDDAXTM-UOVKNHIHSA-N 402.400 -2.062 0 1 HAAF biogenic CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)NCC(=O)O 253633985 LHQMUBQLSPLSIO-VCEMMQNOSA-N 408.360 -4.279 0 1 HAAF NCCN(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 1911571720 RPXXFSOUEYJZLT-OPYVMVOTSA-N 410.435 -2.910 0 1 HAAF C[C@@H](NC(=O)[C@H](N)CCCCNC(=O)[C@H](CCC(N)=O)NC(=O)CN)C(=O)O 3914973 IJFLDLYNHBRNLJ-MXWKQRLJSA-N 402.452 -3.102 0 1 HAAF in-vitro C[C@@H](O)/C=C/[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 257540787 SGUOENJPMRQEMJ-FTAIXVFKSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man CC(=O)NCC(=O)NCC(=O)N1C[C@@H](O)C[C@H]1C(=O)N[C@@H](CCCCN)C(=O)O 299864748 SAROQPRMEZEAQX-AVGNSLFASA-N 415.447 -3.101 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H]1C=C[C@@]2(O)CO 61947713 XJMPAUZQVRGFRE-KYMQPQHFSA-N 404.368 -3.258 0 3 HAAF biogenic,in-vitro C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O 8036047 SQOJOAFXDQDRGF-WJHVHIKBSA-N 424.402 -1.370 0 1 HAAF O=c1[nH]c(=O)n([C@H]2C[C@H](OP(=O)(O)O)[C@@H](COP(=O)(O)O)O2)cc1F 13797231 HFUXGEFEGFINRS-RRKCRQDMSA-N 406.152 -1.450 0 1 HAAF CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 169361132 CXKDMDVEHLPRGY-NEADBACMSA-N 424.402 -1.225 0 1 HAAF CC[C@H](C)C(=O)N/C(N)=N/[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O 205883503 UUNDYPKXXWJKEE-NMZHRSLGSA-N 416.431 -2.582 0 1 HAAF O=C(C=Cc1ccc(O)cc1)O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356477084 WYSRAMKKFNDRPR-CAJIMINQSA-N 400.380 -1.874 0 1 HAAF Cn1cc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)nc1Cl 653729292 AWIFPDZSQINKHC-SRVKXCTJSA-N 410.862 -1.144 0 1 HAAF COc1cc(C[C@H]2CCC(=O)O2)cc(O)c1O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356344706 OQZAGOJJVQJMIE-JDTRQNPXSA-N 414.363 -1.080 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356405986 JVCXUCHSIDSOMM-XAMXEPOGSA-N 420.367 -3.410 0 1 HAAF COC[C@@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@H]2C[C@H](NS(C)(=O)=O)CN12 2356857109 SGODCWJWYTTWBH-LJISPDSOSA-N 402.517 -1.106 0 1 HAAF CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 12502970 CDOJPCSDOXYJJF-PAGIHWKHSA-N 424.403 -5.110 0 1 HAAF CN(NS(C)(=O)=O)c1nc(N)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@]1(C)O 28709841 YQEKFWLTECKRNP-VHQAPHLWSA-N 403.421 -2.690 0 1 HAAF CC[C@H](O)CC[C@@H](C)O[C@@H]1O[C@H](COC(=O)[C@](O)(CC)[C@@H](C)O)[C@@H](O)[C@H](O)[C@H]1O 238785289 WCDGAIFTRLPECT-VQTKAQOQSA-N 424.487 -1.185 0 1 HAAF COCC(=O)N1CCN(C(=O)CCCC(=O)O)C[C@H]1C(=O)N[C@H]1CCCNC1=O 12605312 SVWRZEYXWYVADN-STQMWFEESA-N 412.443 -1.678 0 1 HAAF biogenic CO[C@]1(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)CN(S(=O)(=O)O)C1=O 13368582 QYKSBKSLXVIAQF-IUODEOHRSA-N 401.397 -1.457 0 1 HAAF biogenic C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34[C@H]5C[C@H]6C(C)(C)C[C@@]7(O)C(=O)O[C@@H](O[C@@]3(C(=O)O5)[C@@]12O)[C@]674 56739817 HGGXJKQDNBXKTC-KFJDAMABSA-N 422.386 -1.616 0 1 HAAF C[C@@H](O)C=C[C@]1(O)[C@H](C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356316098 DADZWQMIHPKXIG-IQNJFHCASA-N 406.472 -1.734 0 1 HAAF COc1cc(C=CC(=O)O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356345273 YAIVMBWMHPRYKU-KDEOKCCVSA-N 400.336 -1.142 0 1 HAAF O=C(CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NCc1cn(Cc2ccccc2)nn1 66263512 QNWZXTOEGUCCBO-LHKMKVQPSA-N 408.411 -2.241 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1 95914599 DZMYOBBWRZTUTA-BKCMTPTRSA-N 414.407 -2.028 0 1 HAAF biogenic,in-vitro C[C@@H]1O[C@H](OC[C@@H]2O[C@H](CCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356365473 MSMRYTASZYWIJR-BVDXQAMOSA-N 414.451 -1.687 0 1 HAAF COC(=O)c1ccc2c(c1O)C(=O)[C@@H]1[C@](C)(O)[C@H]3OC(=O)C(=O)N[C@@]1(O2)[C@@]3(C)O 2356523822 GPGWJDITQCQEAW-NFTFIMACSA-N 407.331 -1.376 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)C[C@@]2(O)CO 2356665215 YEOAKYNPUWNNOB-VZPBAJCCSA-N 408.356 -4.152 0 1 HAAF CS[C@H]1O[C@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@@H]1O 28113037 ZDQUEPDNMYMYGB-AQDIXCGQSA-N 417.488 -2.317 0 1 HAAF Cc1cn([C@H]2C[C@@H](O)[C@@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895586 IAKYOCQVAMMWCY-YRGRVCCFSA-N 417.382 -2.317 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H]1[C@@H]1O[C@@H]1[C@]21O[C@@H]1O 42877288 UXNDFLAYYHSFII-BKOSDBRPSA-N 418.351 -3.683 0 1 HAAF C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2([C@H]1O)[C@]1(O)[C@@]3(O)C[C@](O)([C@@H](C)CO)[C@@]41C 100781253 LIGPZBKBGCJTGC-QHHVGYMMSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man CC(=O)NC[C@@H](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O 169339549 DQKXWRBTENXARX-BAYCTPFLSA-N 416.331 -1.900 0 1 HAAF CO[C@H]1O[C@H]([C@@H](O)CNS(=O)(=O)c2c(C)cc(C)cc2C)[C@@H](O)[C@H](O)[C@@H]1O 653851566 PYUNBLYZSIWBJL-HPEALNBZSA-N 405.469 -1.295 0 1 HAAF N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@H](CNCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1N 1857591885 BELYHEUEHQUUGN-ITRADPEYSA-N 412.487 -3.285 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@@H](O)[C@@H](O)[C@H]2CO 2356489764 JDBBFQGXBSMMHP-YBTYLSOQSA-N 422.383 -4.208 0 1 HAAF COc1cc([C@H](O)[C@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356552044 AWSHGBLBAKCDSY-JBAVRWCTSA-N 406.384 -2.380 0 1 HAAF CC(=CC=CC[C@@H](C)[C@@H](O)CC(=O)O)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356731335 JWAGJGCOOSEMAU-LJLVIVTISA-N 404.412 -1.306 0 1 HAAF OC[C@@H]1O[C@H](OCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1OC[C@@](O)(CO)[C@H]1O 2356858967 TXMLRXCCKUXUSF-BRWNEANESA-N 418.395 -3.438 0 1 HAAF C[C@@H](O)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)O 39804037 KHTIUAKJRUIEMA-HOUAVDHOSA-N 420.422 -1.053 0 1 HAAF in-vitro OC[C@@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)OC[C@H]2O)[C@H](O)[C@@H]1O 85736204 FUDXMJHOJWYSEJ-GYZNLELPSA-N 414.360 -5.656 0 1 HAAF in-man CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(N)=O 95564799 SWEDZNGDOMUQDD-CABCVRRESA-N 419.486 -1.917 0 1 HAAF O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 263636287 DVKFVGVMPLXLKC-YTHGRLMWSA-N 422.276 -5.890 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@H]1O[C@H](O)C[C@@H]1O 535385292 AIWQBXPYUYKLDD-HMELBQQSSA-N 410.205 -1.827 0 1 HAAF in-vitro CCCCCc1cn(C[C@@H](O)[C@@H](O)[C@@H]2OC(C(=O)O)=C[C@H](O)[C@H]2NC(C)=O)nn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n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C(C)C 199373946 GIHIQUOQTFVYIM-MTPHAUHDSA-N 411.411 -1.584 0 3 HAAF CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O 36409802 JDYPLWLMGOKQLK-DSXBNBRZSA-N 418.395 -1.668 0 1 HAAF C[C@H]1CC[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]2([C@H]1O)[C@]1(O)[C@@]3(O)C[C@@](O)([C@@H](C)CO)[C@@]41C 100781258 LIGPZBKBGCJTGC-VICKDQHESA-N 400.468 -1.379 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](C(C)=O)[C@H]1CCO 2356647919 ZHZLKLUSFUQKQE-GUSCWBJKSA-N 406.384 -2.580 0 1 HAAF Cn1c(=O)cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)[nH]c1=O 26260771 MENMQXOWQAPYTE-NWDGAFQWSA-N 403.399 -2.386 0 1 HAAF CC(=O)c1cccc(N[C@H]2[C@H](N)[C@@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]2(O)CO)c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n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@H](CO)[C@H]1O 28763733 NNONZLUPBQRBKD-SILMFYPDSA-N 421.200 -1.289 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]2(O)CO 31502642 XJMPAUZQVRGFRE-DUMNYRKASA-N 404.368 -3.258 0 1 HAAF biogenic,in-vitro COCC(=O)O[C@@H]1[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O 40608963 NNONZLUPBQRBKD-IEFXSTGPSA-N 421.200 -1.289 0 1 HAAF CCCCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 299827591 GPAACNGMYVWROH-GXMCXPELSA-N 410.460 -1.763 0 1 HAAF Cc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@@H]2O)occc1=O 2356812946 CBJAQHYTVQOHMO-QXSOZEDUSA-N 420.367 -3.408 0 1 HAAF CC(=O)OC1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12 38321768 CZNFJYHDUOEVJW-UPTUGZHJSA-N 404.368 -1.869 0 1 HAAF biogenic,in-vitro N[C@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587224289 YTOREGALSFKYRJ-VXNVDRBHSA-N 413.412 -1.486 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2CO[C@H](OCc3ccccc3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356521975 SKUMUKAMXQEGMM-JGEPAZENSA-N 402.396 -2.534 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O 30731551 KDKROYXEHCYLJQ-NFIFYTILSA-N 424.402 -1.514 0 1 HAAF biogenic,in-vitro O[C@H]1[C@H](O)[C@@H](O)[C@@H](OCc2ccccc2)O[C@@H]1CO[C@H]1OC[C@@H](O)[C@H](O)[C@H]1O 59586471 WOGBNISMMIOPAZ-PDBDJCPPSA-N 402.396 -2.534 0 1 HAAF biogenic,in-vitro C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O 238786752 WMYNFWZLMQEVTL-JLBYCCORSA-N 416.423 -2.145 0 1 HAAF C[C@@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356450258 MZHBYHJOWQQUIV-LAJPICIGSA-N 416.423 -2.145 0 1 HAAF CC(=O)OCC1=CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 2356504150 GJCLXUNGVGZROH-CEQAUDIYSA-N 416.379 -1.747 0 1 HAAF CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(=O)O)NC1=O 26262591 ZJLMUEVCSWSNNQ-QJPTWQEYSA-N 406.399 -1.547 0 1 HAAF NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1 73314435 AXCCCZJZUNRODT-KSSYENDESA-N 407.470 -2.902 0 1 HAAF COC(=O)[C@@H]1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356424164 PQZHRNHSIAKVKG-MTGBUJOJSA-N 404.368 -2.057 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H]5CO[C@@]4(C[C@]31O)C(=O)N5C)O[C@H](C)C(C)(C)C2=O 2356635898 OCOGVDWCHPHWSN-SFIKWRMZSA-N 422.434 -1.026 0 1 HAAF O=c1ccn([C@H]2[C@H]3C[C@]3(CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 195123464 BFWUJFNKDUGYMX-SAFKVGCYSA-N 414.200 -1.954 0 1 HAAF Nc1nc2c(ncn2COCCO[P@](=O)(O)NCCN2CCOCC2)c(=O)[nH]1 95560792 MYLNWDCNVVMPSN-UHFFFAOYSA-N 417.363 -1.285 0 1 HAAF CC[C@@H](CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356479448 QJQOVJJFDMZWSM-HBLCCUOZSA-N 424.487 -1.662 0 1 HAAF COC(=O)C1=C[C@H](n2cc(C(=O)OC)nn2)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 40764338 APYILUJDCHUBTH-NRFQWKTPSA-N 414.371 -2.720 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 203810784 LABSPYBHMPDTEL-YDXVPKJDSA-N 422.276 -5.280 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@]2(O)C(=O)O 238767920 MLZKYGRNLPVMHX-XQBITAECSA-N 418.351 -3.166 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587825523 AKAHJAZGXXTSSN-KNICJYLYSA-N 424.263 -1.254 0 1 HAAF O=c1nc(O)c(CCC[C@H](O)CO)cn1[C@@H]1C[C@H](O)[C@H](COP(=O)(O)O)O1 2356342890 DZWBOVINFCXKSX-BJDJZHNGSA-N 410.316 -1.618 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C3=C(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C=CC3=C(CO)CC[C@H]12 2356405290 OKFZDVVBDJWAMD-AWCHFWLYSA-N 424.446 -1.070 0 1 HAAF COCC(=O)O[C@@H]1[C@@H](O)[C@H](CO)O[C@@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O 579169 NNONZLUPBQRBKD-MLMUJVCKSA-N 421.200 -1.289 0 1 HAAF CC(=O)O[C@]1(C)C[C@H](O)[C@@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]12 45347550 CAFTUQNGDROXEZ-NPAALUDXSA-N 406.384 -2.893 0 1 HAAF CC(C)CCO[C@@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 86049817 PPIXDGFHKZNFOD-OPDBTDBHSA-N 412.432 -3.327 0 1 HAAF in-man C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5C[C@@H](C(C)(C)CO)[C@]36[C@@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]21O 169669420 PMHYHZBGMYBWAJ-VKMVSBOZSA-N 424.402 -1.368 0 1 HAAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CC[C@]2(O1)[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O 103265911 JHSOWXHMLVZPNH-LGFLNJHISA-N 417.510 -1.148 0 1 HAAF NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@]1(C[C@H](O)CO)B5B1B4B12 197968197 NLVASRZWGZOVHD-HRCADAONSA-N 407.579 -3.089 0 1 HAAF C[C@H](O)C=C[C@@]1(O)[C@H](C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356316099 DADZWQMIHPKXIG-RUCWSXGBSA-N 406.472 -1.734 0 1 HAAF CCCCCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2356696487 BMRVKYAUKKSGNJ-OZPCZYPFSA-N 412.432 -3.183 0 1 HAAF OC[C@H]1O[C@@H](O[C@@H]2[C@H](OCc3ccccc3)OC[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 238735925 QTQBCCQSMXVWNI-MJFQAAMBSA-N 402.396 -2.534 0 1 HAAF N/C=C(\N)NCCCC[C@@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN 238744426 JBVZQDJNGFOSNX-DAEAFOQESA-N 417.555 -2.517 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@@H]1O 2356506043 YSMFIJDRMWRYKD-OQZODWCVSA-N 416.423 -2.490 0 1 HAAF C[C@@H](O)C=C[C@@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356521269 QEBWOBFSNAGMNR-IHAIJFHZSA-N 404.456 -1.716 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)O[C@H](O)C[C@@H]12 2356689497 LFIATFJGPFQPKL-XHCILTKFSA-N 422.383 -3.452 0 1 HAAF C[C@H](CNCCCNc1nc(N)nc(N)n1)NCCCNc1nc(N)nc(N)n1 22941920 OMCWMHKRJODTLD-SECBINFHSA-N 406.503 -1.743 0 1 HAAF N=C(N)Nc1ccc([C@H]2C[C@@H](O)[C@H](NC(=N)N)C[C@@H]2NC(=N)N)c(NC(=N)N)c1 28572426 SOFXYQSCNQGTMF-SASUGWTJSA-N 404.483 -1.761 0 1 HAAF CCNc1nc(N(CCO)CCO)nc2c(NCC)nc(N(CCO)CCO)nc12 28710646 VUEAIGJVMZAIIQ-UHFFFAOYSA-N 424.506 -1.135 0 1 HAAF CNC(=O)[C@@H]1O[C@@H](OC)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 95565419 LXDMOEOWIMHWFI-ZSRWQXKBSA-N 424.403 -4.846 0 1 HAAF Cc1cn([C@H]2C[C@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O 95618631 RDVUSEMLHAXQRK-YXPLHHCOSA-N 417.371 -3.631 0 1 HAAF in-man CC(=O)OC[C@]1(O)CC[C@@H]2C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356658261 MEGLDKHMUVYZGX-LMRLDWOVSA-N 404.412 -1.617 0 1 HAAF CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 40938566 VJRDGGXTVZOZNE-SRVKXCTJSA-N 414.415 -1.818 0 1 HAAF N=C(N)NCCCNC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49017135 MMUJMWGAFLKRCJ-AKAIJSEGSA-N 424.418 -3.479 0 1 HAAF Nc1ccnc2c1ncn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 1857570949 FCIPCWGAWBOBRS-UGKPPGOTSA-N 424.243 -1.030 0 1 HAAF CC(=O)OCC1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356504149 GJCLXUNGVGZROH-BPBIZWBWSA-N 416.379 -1.747 0 1 HAAF O=C(O)[C@@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](P)[C@H](O)[C@H]1O 261495865 FHVDTGUDJYJELY-FLBYQIRISA-N 418.228 -3.515 0 1 HAAF endogenous,in-man CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(F)cnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235720 PQOGDEGLVRJFJE-OTUMZKFCSA-N 400.363 -2.389 0 1 HAAF O=C(c1cc(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1)c1c(O)cc(O)cc1O 2356401148 UZPRNHIJTLCPPQ-HWDJUHOGSA-N 424.358 -1.081 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N3CC[C@@H](C(=O)O)C3)=C(COC(C)=O)CS(=O)(=O)[C@H]12 27199780 POVIZWCBYBRVBR-MURWCNHISA-N 416.408 -1.652 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O)[C@@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O 64633706 WXRMULXJDGUOQT-JHKLQXKFSA-N 423.459 -2.139 0 1 HAAF in-vitro O[C@@H]1[C@H](O)[C@@H](OC[C@@H]2O[C@H](OC[C@@H]3O[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H]2O)OC[C@H]1O 257445713 ILEPOIYJHJQWCK-LSMZDSDOSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man O=C(C=Cc1ccc(O)cc1)OC[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356644460 HHNPREGNVCFCOP-BONHGPHZSA-N 400.380 -1.874 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O 39832507 MAGNEQBFSBREJL-DCAQKATOSA-N 403.436 -2.373 0 1 HAAF biogenic C[C@@H]1C(=O)O[C@H]2[C@@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@H]12 100772693 KDKROYXEHCYLJQ-OTTAOEJZSA-N 424.402 -1.514 0 1 HAAF endogenous,in-man O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 203810809 LABSPYBHMPDTEL-DTSPALOZSA-N 422.276 -5.280 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)C[C@@H](O)[C@]12O 238782906 MLTZHVBDDNOQNM-ATFDOZGWSA-N 406.384 -3.036 0 1 HAAF OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 2356390258 VLAZYPZGDJXPDY-FLSOLMFXSA-N 402.396 -2.534 0 1 HAAF C[C@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@]1(C)O 2356421706 RPJREIHZBZFGOB-CBCJAEBSSA-N 404.456 -1.824 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C=C[C@@]2(O)CO 13660246 XJMPAUZQVRGFRE-SNDQLCAZSA-N 404.368 -3.258 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C(=O)O)C=C[C@H]12 84154205 QXLZMFXGMGPPHW-JACXBSBZSA-N 402.352 -2.281 0 1 HAAF biogenic,in-vitro CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C 2356471263 MQSFSEGMDJUVRU-DAYUJWNQSA-N 404.412 -1.761 0 1 HAAF Cc1ccc(CN=c2[nH]c3c(O)nc(=N)[nH]c3n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)cc1 2356739125 CJXDJSOFLXZYFQ-QOFRNUMZSA-N 402.411 -1.102 0 1 HAAF NS(=O)(=O)c1ccc(NC(=S)N[C@H]2[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)c(F)c1 28825898 GKFNQSJQCXICPM-OOCWMUITSA-N 411.433 -2.441 0 1 HAAF NC1=NC(=O)[C@H]2N=C(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CO[C@@H]2N1 40504216 FMDCGKMELCGRDQ-WNMQOVRZSA-N 417.378 -1.307 0 1 HAAF N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O 587222864 UUFPSRCBGFFWHC-WCBMZHEXSA-N 413.412 -1.486 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 1857622145 WOGBNISMMIOPAZ-KYDZVKHISA-N 402.396 -2.534 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)C[C@@H](O)[C@@]12O 2356607116 QFXBACSTYFPXFG-LISLHFDJSA-N 422.383 -4.064 0 1 HAAF COc1cc([C@@H](O)[C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356771341 VVQORBWCJVXQBI-SXWCTKSRSA-N 420.411 -2.077 0 1 HAAF CCCNC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27622402 DFOVXNCYOHTHMD-YDBCPLSKSA-N 417.415 -3.381 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 142436031 ZUGFBNMTMJLCQZ-MACXSXHHSA-N 418.303 -1.965 0 1 HAAF in-vitro CC(=O)O[C@@]12COC=C[C@]1(O)[C@@H](O)C[C@]2(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238743703 BHHBWNXFHDILDX-MJJXRLSDSA-N 406.384 -3.097 0 1 HAAF CC[C@]1(O)C=C[C@@H]2C(C(=O)OC)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356757052 PLLNTYLGQGXNDL-PXIAZNQESA-N 402.396 -1.841 0 1 HAAF C[S@](=O)c1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(COP(=O)(O)O)C[C@H]34)c2n1 103109935 RMRRMPNKZOUNCK-PLZAFQPISA-N 419.356 -1.462 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)C(=O)O 2356826811 HKOVMJGGVHCEHW-FBRWXNTFSA-N 406.476 -1.592 0 1 HAAF CSCC[C@H](N)C(=O)OC[C@H]1O[C@@H](Cn2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 28110984 HQXDQVBDUIILNZ-VKISENBKSA-N 412.472 -1.479 0 1 HAAF O=C(O)[C@@](O)(C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)OP(=O)(O)O 34951251 FGVVFQVXYXTAAW-HXUQBWEZSA-N 416.165 -4.188 0 1 HAAF in-vitro C[C@@H](CC(C)(COC(=N)O)COC(=N)O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356600275 GNJYITKRBXPECB-YNRRCNEVSA-N 410.376 -1.301 0 1 HAAF N[C@@H](CCC(=O)N[C@H](CS[C@H](CC(=O)O)C(=O)O)C(=O)NCC(=O)O)C(=O)O 13451240 PWCIUOASSAHGHI-XLPZGREQSA-N 423.400 -2.475 0 1 HAAF NC(=O)c1ccc[n+](C[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@@H]2C(N)=O)c1 28474447 FSAYHTLBOLVRDW-BFHYXJOUSA-O 417.446 -2.687 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@H]12 100772696 KDKROYXEHCYLJQ-IYTDAQBUSA-N 424.402 -1.514 0 1 HAAF endogenous,in-man CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@@]5(O)C(=O)OC[C@@]34[C@@H]5[C@]2(C)[C@@H](O)[C@@H](O)C1 2356337255 WTELTUSRXDOCFZ-JGCVCHGPSA-N 410.419 -1.604 0 1 HAAF O=P(O)(O)OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356344122 ZKSTYMJGEHZSFH-ZOIVPKMGSA-N 415.332 -4.460 0 1 HAAF Nc1nc(OCCOCP(=O)(O)O)cc(=O)n1CCOCP(=O)(O)O 29562724 DYCWPOLRUNFCFX-UHFFFAOYSA-N 403.221 -1.492 0 1 HAAF C[C@@H](CO)[C@]1(O)C[C@]2(O)[C@]3(O)[C@@]45O[C@](O)(C[C@@]2(C)[C@@]4(O)CC[C@@H](C)[C@H]5O)[C@@]31C 104371298 LIGPZBKBGCJTGC-NSAQHHLGSA-N 400.468 -1.379 0 1 HAAF in-man COc1cc(C=CCO[C@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356739081 ZNCIFZQZRARGRD-YSVXCWOHSA-N 416.423 -1.392 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 147959922 LABSPYBHMPDTEL-WPMDEUETSA-N 422.276 -5.280 0 1 HAAF CC(=O)C[C@]1(O)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 238769181 JXRURJXEYMRHCO-XBDCZORHSA-N 406.384 -3.505 0 1 HAAF CC[C@@H](CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356479451 QJQOVJJFDMZWSM-XUQFNXIDSA-N 424.487 -1.662 0 1 HAAF O=C(O)[C@]1(O)C[C@@H](O)[C@H](O)[C@@H]([C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356710421 DENGNXBHVRIEBZ-YOUKPVGRSA-N 400.333 -5.552 0 1 HAAF COc1cc([C@H](O)[C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356771342 VVQORBWCJVXQBI-WOGHDAOTSA-N 420.411 -2.077 0 1 HAAF CC[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49114572 YCQZTQARINCVLK-HLEAGEOASA-N 402.360 -4.177 0 1 HAAF C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)O 96095014 MCGGOMKMWPPXKQ-JBDRJPRFSA-N 418.407 -4.994 0 1 HAAF in-vitro C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)c1ccccc1)C(N)=O 149761913 XMBMRWSFJSSMAZ-OBJOEFQTSA-N 419.486 -1.457 0 1 HAAF COC(=O)[C@@H]1[C@H]2C=C[C@@]3(O)CO[C@@H]1O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]23 255284273 YFEOPJWHUMIDGW-XLQCRSBYSA-N 404.368 -3.162 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 587608311 KWUSOKWHHHTOJV-URESRLAFSA-N 422.386 -1.481 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5C[C@H](C(C)(C)CO)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@@]12O 2356624809 PMHYHZBGMYBWAJ-IMSAJKKPSA-N 424.402 -1.368 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 25725243 LABSPYBHMPDTEL-WNBHFEKMSA-N 422.276 -5.280 0 1 HAAF COC(=O)C1=CO[C@@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@H](O)C[C@H]12 238785036 MPBVSPYCMJLBGG-KAADDHPZSA-N 420.411 -2.382 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cccc(C(N)=O)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587234995 BTXBMRGFZTZKMS-ULPPIJFESA-N 424.410 -2.825 0 1 HAAF CC(C)[C@]1(O)[C@H](O)[C@H]2[C@]3(CO)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@@]41C 2356368250 NJYHRMCKTLWXTE-ULXGCDJOSA-N 400.468 -1.523 0 1 HAAF O=c1nc(NCCc2ccccc2)[nH]c(=O)c2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49054531 HFCQNAODXVYNRS-FSUOKIBISA-N 415.406 -1.254 0 1 HAAF COc1cc([C@H](O)[C@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 238759304 AWSHGBLBAKCDSY-VHSVJLBUSA-N 406.384 -2.380 0 1 HAAF CC=C1CN(C(=O)[C@H](N)[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)[C@H](O)[C@@H]2O)[C@@H]1C(=O)O 2356341661 UIKYJKLUMGIAGG-GSZFLAHFSA-N 410.383 -2.554 0 1 HAAF CC(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356710014 FUUXIPLOLSVADM-OVOQUYDGSA-N 412.388 -4.190 0 1 HAAF CC(=O)N[C@H]1[C@H](O[C@H]2[C@@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@H](O)[C@@H]1O 13544050 CDOJPCSDOXYJJF-OSJSAICRSA-N 424.403 -5.110 0 1 HAAF in-vivo COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12 238776612 QZCJFXSHMSZCLH-MRUIKTEOSA-N 404.368 -2.216 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@@H](O)[C@@H]1O 100829833 OMFHKRCSRGUKRK-NTKHCJSJSA-N 406.365 -1.424 0 1 HAAF endogenous,in-man C[C@H](/C=C/[C@H]1C(C)(C)C[C@H](O)[C@H](O)[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255209354 FKLUOSPYDPNATQ-GPWHPXOUSA-N 406.472 -1.734 0 1 HAAF C[C@H](NC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@H](NC(=O)Nc2ccc(F)cc2F)C1)C(N)=O 2356606026 ZUEDMVNQYQGNTG-NJOPFFPRSA-N 416.381 -1.308 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](OCc2ccccc2)[C@H]1O 2356768400 PBKBHCJPMCMBCZ-VZMHANNPSA-N 416.423 -2.491 0 1 HAAF NC(=O)N[C@@H](CC[C@@H](N)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@H]1O)C(N)=O 33856037 YMZIVNTXFCXHQI-XXFSISAASA-N 407.435 -1.923 0 1 HAAF in-vitro COC(=O)[C@H]1CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356424163 PQZHRNHSIAKVKG-ISXZHIQNSA-N 404.368 -2.057 0 1 HAAF COc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356731323 IRQXUICHPFAQII-NYAKCOCZSA-N 418.395 -2.661 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)C(=O)[C@H]3O)[C@H]12 95909248 QLFIQFQWHOHGGW-MJKUXPPISA-N 404.368 -2.685 0 1 HAAF N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)O 587221915 RQTYFMPNUFXNNJ-APPZFPTMSA-N 413.412 -1.486 0 1 HAAF N[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H]3O[P@](=O)(O)O[C@@H]32)O[C@H](CO)[C@@H](O)[C@H]1O 2356461277 ZULNQPCZALKHMF-COAJGUIYSA-N 403.277 -4.881 0 1 HAAF CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 169361130 CXKDMDVEHLPRGY-DXUSHQCOSA-N 424.402 -1.225 0 1 HAAF Cc1c(F)ccc2c1[C@H]([C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O)NCC2 962301422 RUBQIYFBSOFBFK-ZGINMZAMSA-N 417.430 -2.141 0 1 HAAF COc1cc([C@@H](O)[C@@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356552045 AWSHGBLBAKCDSY-QYWMURBKSA-N 406.384 -2.380 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2cscn2)[C@@H](O)[C@H]1O 61945084 KBVBQKZMEIPJQC-BDMGVTFQSA-N 420.455 -1.830 0 3 HAAF NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCC[C@H](N)C(=O)O)[C@H]2SC1 13366775 LSRDVUINCBDNAZ-QOSJWCAFSA-N 416.412 -1.598 0 1 HAAF biogenic CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@H](O)[C@H](O)O[C@@H](C)[C@H]2O)[C@H](OC)[C@]1(C)O 64633705 WXRMULXJDGUOQT-HXXHLOPASA-N 423.459 -2.139 0 1 HAAF in-vitro C[C@@H](/C=C/[C@@H]1C(C)(C)C[C@H](O)[C@@H](O)[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95918748 FKLUOSPYDPNATQ-UHEGOGLGSA-N 406.472 -1.734 0 1 HAAF biogenic,in-vitro COC(=O)[C@H]1[C@H]2C=C[C@@]3(O)CO[C@@H]1O[C@@H](O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]23 255284271 YFEOPJWHUMIDGW-LIHMFVPHSA-N 404.368 -3.162 0 1 HAAF CO[C@@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN 27078533 BIDUPMYXGFNAEJ-ZNAVKANYSA-N 405.496 -3.585 0 1 HAAF CC1=C2[C@@H](O)[C@H](O)[C@]3(C)[C@@H](O)C[C@H](O)[C@@](O)(CO)[C@H]3[C@H](O)[C@]2(C(C)(C)O)C[C@@H]1O 238784619 WRININRVLQXOBB-JYOFNKSHSA-N 418.483 -2.608 0 1 HAAF CC[C@H](C)[C@H](NC(=O)[C@@H](N)CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356709090 OLISTMZJGQUOGS-GUDRVLHUSA-N 401.468 -2.447 0 1 HAAF Oc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 138057687 NOUKECIOLFROLB-NDVNSRIFSA-N 404.368 -2.966 0 1 HAAF C[C@](O)(CO[C@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@H](O)CO 2356392983 WEDHAYWWGPSQDM-AZUWYGCISA-N 418.395 -2.523 0 1 HAAF CC(=O)OCC1=C2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@H]2CC1 2356412515 SBKHBPAOTDHFBN-QSSGTWANSA-N 416.379 -1.603 0 1 HAAF C[C@@H]1O[C@@H](OCc2ccccc2)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356425742 KZJGQDHNEMBJJZ-GBDRDUQPSA-N 416.423 -2.145 0 1 HAAF CC[C@@H](CCO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356479449 QJQOVJJFDMZWSM-KEBMKEIESA-N 424.487 -1.662 0 1 HAAF OC[C@H]1O[C@@H](CNc2nc(NCCN3CCOCC3)c3nc[nH]c3n2)[C@@H](O)[C@@H]1O 71318211 SVQDWZOVNKQPEP-OIMNJJJWSA-N 409.447 -2.010 0 1 HAAF C[C@@H](CO)[C@]1(O)C[C@@]2(O)[C@]3(C)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@@]41C 257472991 LIGPZBKBGCJTGC-KRPUSTABSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man O=C(O)CC[C@H](NC(=O)C[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@@H](O)[C@@H]1O)C(=O)O 2356590681 YEJAMBXFPICSSO-BOXQTORXSA-N 401.328 -2.608 0 1 HAAF CC1=C2C[C@@H]3[C@@](C)(C=C2OC1=O)[C@H]1C[C@H]1[C@]3(O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356755668 HCKVSBCCVCMKKB-GDARTUPUSA-N 424.446 -1.033 0 1 HAAF CCOC(=O)Cn1cc(CN2[C@H](C(=O)OC)CN(C3CC3)CCS2(=O)=O)nn1 96019695 JLJMTHMNNPRRQS-AWEZNQCLSA-N 415.472 -1.007 0 3 HAAF O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)OC[C@@H](O)[C@H]1O 100827385 RBNRMSRJWILJMU-FXRUNBOKSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(C)[C@H](NC(=O)[C@@H](N)CCNC(=N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O 238775850 ANAHQDPQQBDOBM-KKUMJFAQSA-N 422.486 -1.155 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257409208 DSDFXGQRZAFFQA-ZIYBOWMQSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356561884 LRRKTNFBBSNZEN-IDYJLDPRSA-N 418.439 -1.824 0 1 HAAF OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 2356567033 DWYFWLYCTOAXKY-RFBCOTJFSA-N 416.423 -2.491 0 1 HAAF N=c1ccn([C@@H]2C[C@H](O)[C@@H](COCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(O)n1 2356750735 AUKICVAWSKVJRQ-HQKHUYHPSA-N 419.387 -3.493 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895531 SJGIZVRSHOSUJA-LOWVWBTDSA-N 418.370 -2.922 0 1 HAAF O=c1[nH]c(=O)n([C@@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@H]2O)cc1F 105106335 FOZCNVFQOJRHFF-BYPJNBLXSA-N 422.151 -2.479 0 1 HAAF C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238753181 YIAQIGPDWXVEJQ-PEXZKZDASA-N 406.472 -1.732 0 1 HAAF C[C@]1(O)[C@@H](O)[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 255262753 RNTVODVKVMKBPF-CKYZIDOHSA-N 408.356 -4.154 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c1NC(=S)NC(=O)c1ccccc1 299814170 MIUNBHQVJPEDHM-DFANHVJVSA-N 421.435 -1.280 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N2Cc3ccccc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in-vitro CC(=O)N[C@@H]1C[C@@H]2C(=O)N[C@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)[C@@H]3C(=O)N2C1 2356309218 MYDYWLOAMBIRQL-TWMKSMIVSA-N 419.482 -1.550 0 1 HAAF CNC(=O)[C@]12CN(C)C(=O)C(=O)N1[C@@H]1C[C@]3(O[C@H](C)C(C)(C)C3=O)[C@@H](O)[C@@]1(O)C2 2356571135 JYNXDZWXNZSMMS-NZNMCVDFSA-N 409.439 -2.207 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@H]2CO 2356640798 RIBQJGUEBPBXHM-CYSXQHAHSA-N 406.384 -3.178 0 1 HAAF COC[C@H]1O[C@H](O[C@H](C)[C@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)[C@@H](O)[C@H](O)[C@H]1O 2356715015 CARGJJGBCUDXAL-NRMURDQESA-N 413.387 -2.570 0 1 HAAF CCCCCC(=O)O[C@@H]1[C@@H](OC[C@@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@H](O)[C@H]1O 2356305137 OPVUPFDYAYSUFH-RYJUIXMKSA-N 424.443 -1.781 0 1 HAAF CC=C1CN(C(=O)[C@H](N)[C@@H]2O[C@H](n3cc(C)c(O)nc3=O)[C@H](O)[C@H]2O)[C@@H]1C(=O)O 2356341662 UIKYJKLUMGIAGG-PAFNWGCTSA-N 410.383 -2.554 0 1 HAAF N[C@@H]1[C@H](O[C@H]2[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O 2356646664 LOPKUYZFWDPPJT-GLLLIJLGSA-N 421.292 -5.927 0 1 HAAF CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(=N)nc2O)O[C@H]1C(N)=O)C(=N)N 2356785347 ABWQJHQBCNRNIY-GIFSMMMISA-N 421.462 -2.575 0 1 HAAF C[C@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587825521 AKAHJAZGXXTSSN-FTPSMWHUSA-N 424.263 -1.254 0 1 HAAF O=C(O)[C@@H]1Cc2cc(F)ccc2[C@@](CN2CCOCC2)([C@@H](O)[C@H](O)[C@H](O)CO)N1 962902027 VCYQVMXSYAQXFH-ATIFRJIPSA-N 414.430 -1.973 0 1 HAAF COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3nccn3C)O[C@@H]2[C@@H]1O 2356350200 WXZICQSFCXLXOK-XRQSXFTLSA-N 411.459 -1.342 0 1 HAAF NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@H](NC(=O)CCC[C@@H](N)C(=O)O)[C@@H]2SC1 14850661 LSRDVUINCBDNAZ-FDOIEUKUSA-N 416.412 -1.598 0 1 HAAF biogenic OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 34182716 GZSQKOFXMZDKPV-OTCFHACESA-N 416.423 -2.490 0 1 HAAF biogenic,in-vitro O=C(N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1cn(-c2ccc3ccccc3c2)nn1 96911487 IWICNEPZYDMMOT-OGJJZOIMSA-N 400.391 -1.050 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@@]34[C@H](C(C)(C)C)[C@@H]5O)[C@@]21O 103622790 LMEHVEUFNRJAAV-YPAKAAAYSA-N 424.402 -1.370 0 1 HAAF in-man CC(=O)O[C@H]1C[C@H](n2cc(I)c(=O)[nH]c2=O)O[C@@H]1C(N)=O 169317503 PECSYRILKNZWTM-RNJXMRFFSA-N 409.136 -1.154 0 1 HAAF N=c1nc(O)c2ncn([C@@H]3O[C@H](COC(=O)NCCc4cnc[nH]4)[C@@H](O)[C@H]3O)c2[nH]1 1857549783 HDQSJVAMGZTUMT-IDTAVKCVSA-N 420.386 -1.744 0 1 HAAF NC(=O)c1ccc[n+](C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1 13585251 FSAYHTLBOLVRDW-IHRRRGAJSA-O 417.446 -2.687 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1OS(=O)(=O)O 238735845 QMQWLEMWUQZSHH-CIDNPRDCSA-N 406.365 -1.424 0 1 HAAF CNC(=O)CCCCO[C@]1(C(=O)O)C[C@H](O)[C@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 253915980 MZXVATPDYBSKIH-WYHJFEABSA-N 422.431 -2.931 0 1 HAAF CC(C)CCO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 14590611 PPIXDGFHKZNFOD-KMDYCBFTSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man CCC1(c2ccc(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)cc2)C(=O)NC(=O)NC1=O 472866770 RQTUXVFRLKPUJG-BYNIDDHOSA-N 424.362 -2.029 0 1 HAAF CC(C)C[C@H]1NC(=O)[C@@H](CC(C)C)N(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C1=O 2356421234 ZVZSSTYLWXWSDK-ZZYRXDGBSA-N 404.460 -1.494 0 1 HAAF CS[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn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c1cnc[nH]1)C(=O)O)[C@H](C(=O)O)N(C)C(=O)[C@@H](N)Cc1c[nH]cn1 31983969 LMUHIYQHLMCRNZ-OLRMPSLUSA-N 407.431 -1.412 0 1 HAAF biogenic CC=C(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356661394 ZMIQCOSRPMWYLS-NAFUSRSYSA-N 424.399 -3.880 0 1 HAAF CC(=O)c1cn([C@H]2O[C@H](CO[P@](=O)(O)CC(=O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]c1=O 27208845 BULWBYYTKCJZCQ-BXSSEVMYSA-N 408.256 -2.355 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 36272682 XXABJEPVVSRKKB-NFOTXUCKSA-N 407.408 -1.147 0 1 HAAF N[C@H]1[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O 136475570 LOPKUYZFWDPPJT-BFYACABJSA-N 421.292 -5.927 0 1 HAAF C[C@@H](O)CC[C@@H]1[C@@]2(C)CO[C@]1(C)C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 255265446 SNMLGMAKMWIVSL-PLCWCGNJSA-N 406.472 -1.492 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C1=C[C@@H](O)[C@@]2(C)O 2356473606 KSQVTHWVSWYGNQ-XITGSXQFSA-N 404.368 -3.116 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)[C@@H](O)[C@H]2CO 2356489765 JDBBFQGXBSMMHP-YQZZHELZSA-N 422.383 -4.208 0 1 HAAF O=c1ccn([C@H]2[C@H]3C[C@]3(CO[P@@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)c(=O)[nH]1 100820185 BFWUJFNKDUGYMX-BVFCKKPOSA-N 414.200 -1.954 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1O 203810820 LABSPYBHMPDTEL-HDICBVHZSA-N 422.276 -5.280 0 1 HAAF COc1cc2c(c(O[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)c1OC)CCN(C)[C@H]2CO 238750119 ANLAXYVKKILUOM-FDQPTFEASA-N 415.439 -1.596 0 1 HAAF COc1ccc(C=CC(=O)OC[C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356690008 IPLHUSAZFXBRMO-RDRYKLJOSA-N 414.407 -1.571 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)N[C@@H](CC(C)C)C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 95593881 QZNAMWOBTVOLKN-PAUVFPHUSA-N 404.416 -2.536 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@]2(O)[C@H](C)CC(=O)[C@]12O 238761893 NCWNKJPLFYBFLX-XDFQLJPKSA-N 420.367 -3.713 0 1 HAAF C[C@H]1C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC(C)(C)[C@]1(O)C=C[C@@H](O)CO 2356651186 FCSXIFYRVMQLAX-CBSRJZMISA-N 406.472 -1.732 0 1 HAAF O=C(O)CN(C[C@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O 49015110 VUFLGAGEDNEJIV-JWIUVKOKSA-N 413.209 -3.939 0 1 HAAF C[C@H]1SC[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)NC1=O 78234683 RSHMQGIMHQPMEB-XEZLXBQYSA-N 408.484 -1.467 0 1 HAAF in-man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c4cccc5c4[C@@]4(O[C@@]1(O)[C@@]2(O)[C@H]34)C(=O)N5C 1857595919 PQCKBAMPLOMUBD-IRBAFZIXSA-N 416.430 -1.200 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1CCO[C@@]2(C)O 2356655068 WHAPPFLYHSDHAN-CIJOMCLPSA-N 406.384 -2.423 0 1 HAAF C[C@]1(O)C[C@@H](O)[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](COC=O)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 299868191 REBLRYZHSDWETG-IRDZEPHTSA-N 420.367 -2.944 0 1 HAAF CC(=O)N[C@@H]1C[C@@H]2C(=O)N[C@@H]3CCN(C(=O)C4CCN(C(C)=O)CC4)[C@H]3C(=O)N2C1 2356309217 MYDYWLOAMBIRQL-QBPKDAKJSA-N 419.482 -1.550 0 1 HAAF COC(=O)C1=CO[C@@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)O[C@@H](O)C[C@@H]12 2356405248 MPBVSPYCMJLBGG-VCQHVJMCSA-N 420.411 -2.382 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@H](O)[C@H](C)[C@@H]23)O[C@@H]1CO 2356519146 PMWSVNPTJDKITH-GMTCMKAOSA-N 418.395 -1.668 0 1 HAAF O=C1CCC=C[C@@]1(O)C(=O)OCc1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356520177 CZDNLUMNELLDDD-NWYWEGMISA-N 424.402 -1.441 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](CO)[C@@H]12 2356585430 PTPQTMGOUIHFNR-WYQIQMLISA-N 418.395 -3.011 0 1 HAAF O[C@@H]1[C@H](CO[C@@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)O[C@@H](O)[C@H]1O 100827391 ILEPOIYJHJQWCK-CMLVHPMBSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@@]12C 2356606848 GWPQGHMAOBGLQY-RENFBTPDSA-N 402.396 -1.841 0 1 HAAF COC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CO)NC(=O)/C=C/c1ccc(F)cc1 49034216 ANOFSODPZXLFJN-SZBGIYDQSA-N 411.386 -1.918 0 1 HAAF C[C@@H]1O[C@H](OCCCc2cc(O)c(OC(CO)CO)c(O)c2)[C@H](O)[C@H](O)[C@H]1O 2356641090 CXUKHOAIYNXPCX-WYXJGKGNSA-N 404.412 -1.394 0 1 HAAF CC(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356710011 FUUXIPLOLSVADM-AFKIJZEPSA-N 412.388 -4.190 0 1 HAAF COc1cc([C@H](O)[C@H](CO)O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 40876580 AAZJIDQNEUWCEO-FOWLYOOKSA-N 406.384 -2.380 0 1 HAAF C[C@H](/C=C/[C@]1(O)C(C)(C)C[C@@H](O)C[C@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238753710 XZRJEYQBLXDNNU-MHHOZIMSSA-N 406.472 -1.589 0 1 HAAF C[C@](O)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356543784 XLLCZCUXCFIKTJ-SRYFURBSSA-N 410.375 -1.379 0 1 HAAF CC[C@](C)(O)[C@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356633323 UKSHFSUBKYPKMO-HHHNKWSNSA-N 416.423 -1.570 0 1 HAAF CC[C@H](C)[C@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)O 13375805 GZUZMJQLRANFIY-PCFBVTGFSA-N 401.460 -1.006 0 1 HAAF biogenic,in-vitro Nc1nc2c(c(=O)[nH]1)n(C/C=C/c1ccccc1)c(=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 27179716 NURJUESNUGNUFN-CBZGPIDWSA-N 415.406 -1.207 0 1 HAAF C[C@](O)(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 38346959 SNDKCNISROFTJM-GXEPUGILSA-N 424.402 -1.336 0 1 HAAF biogenic,in-vitro O=P(O)(O)OC1[C@H](O)[C@H](O)C(O[P@](=O)(O)OC[C@H](O)CO)[C@@H](O)[C@H]1O 2356384250 MRHAWIJFXZJZEV-OQMFKJCBSA-N 414.193 -4.223 0 1 HAAF COC(=O)c1ccc2c(c1O)C(=O)[C@H]1[C@]3(NC(=O)C(=O)O[C@@H]([C@]3(C)O)[C@]1(C)O)O2 2356523820 GPGWJDITQCQEAW-HJUANSTKSA-N 407.331 -1.376 0 1 HAAF NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](CCCCN)C(=O)O 2356709518 IMAKMJCBYCSMHM-RWMBFGLXSA-N 403.480 -1.509 0 1 HAAF O=C(/C=C/[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)NCc1ccc2c(c1)OCO2 199374126 GOXRYUCPBXAXHE-AWADYFKPSA-N 417.374 -1.243 0 3 HAAF O=C(c1cc(O)cc(O)c1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O 205748565 SILOTFUKVQVHLR-LQDZTQBFSA-N 424.358 -1.081 0 1 HAAF NC(=S)CCNC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49793145 LEWQIHKTBIUQJQ-GUSNPEKLSA-N 412.428 -2.676 0 1 HAAF CO[C@H]1C=C(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@@H]21 95913536 UGWIKFJKKFUZBT-ZVMYYMQKSA-N 404.368 -2.693 0 1 HAAF biogenic,in-vitro N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)O 587221919 RQTYFMPNUFXNNJ-VXNVDRBHSA-N 413.412 -1.486 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)CO 2356392985 WEDHAYWWGPSQDM-WQDSIQGVSA-N 418.395 -2.523 0 1 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)O)[C@@H]1CC(=O)OC 2356776728 JMQHOGABGMTPGK-ZMZQVEJASA-N 404.412 -1.208 0 1 HAAF C[C@@H]1O[C@H](Oc2ccc(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cc2)[C@H](O)[C@H](O)[C@H]1O 2356794761 LJZGVVDZYKJWFR-ZZMXDSDFSA-N 406.435 -1.075 0 1 HAAF CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O)OC(C)=O 263621167 WCCWBLFRGXINLH-JRGQVUDSSA-N 418.288 -3.199 0 1 HAAF in-vitro Cc1sc2c(c1C)CCN[C@@H]2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 963011227 OQFJGNHNEHOTHT-JWLMORPBSA-N 419.496 -1.910 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@@H]1C(=O)N[C@H]1CCCNC1=O 2356309324 WYEOXGDOZIGDCA-UONOGXRCSA-N 409.468 -1.438 0 1 HAAF CC[C@@H](CO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356550992 WTSRJBCPXZKTRQ-OMIOILPASA-N 424.487 -1.663 0 1 HAAF O=C(C=Cc1ccc(O)cc1)OC[C@@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356644462 HHNPREGNVCFCOP-UXCAXZQLSA-N 400.380 -1.874 0 1 HAAF CSCC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356742103 SBSIKVMCCJUCBZ-AEJSXWLSSA-N 419.508 -2.740 0 1 HAAF COCCCn1cc(CN2C[C@H](N3CCN(CCO)CC3)CS2(=O)=O)nn1 96020896 STICISLAOOTJEB-INIZCTEOSA-N 402.521 -1.562 0 3 HAAF Nc1nc2c(c(=O)[nH]1)n(C/C=C/c1ccccc1)c(=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27179727 NURJUESNUGNUFN-CRQUZVTJSA-N 415.406 -1.207 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@@H](O)[C@H]2O)[C@H]2[C@H]1C[C@H](O)[C@@H]2C 59585934 KHKJDBORKVAPOM-GDJHXMAHSA-N 404.412 -1.761 0 1 HAAF biogenic,in-vitro Cc1cn2c(=O)c3ncn([C@@H]4O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]4O)c3nc2[nH]1 100095584 AXFNSZQTTOWMGU-WOUKDFQISA-N 401.272 -1.591 0 1 HAAF in-vitro Nc1ncnc2c1c(OC(F)F)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857593507 DCMDVFZIMQIMKS-BHBWVORQSA-N 412.331 -2.151 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356437603 ZMVYDQYHQHSHAJ-LRUMUJGWSA-N 418.395 -2.577 0 1 HAAF CCCCOC(=O)[C@H](O)Cc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356688243 SUGOCCUAKZVLFE-FPUJPIJZSA-N 416.423 -1.182 0 1 HAAF C[C@H]1[C@@H](C)C(=O)O[C@]12C(=O)O[C@H]1[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)CO[C@]12O 2356768589 SWEUUIPGSUQSBW-RWPSLJHCSA-N 420.367 -3.617 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1NC(=O)c1cc(O)cc(O)c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c3nccn3C)O[C@@H]2[C@H]1O 2356350201 WXZICQSFCXLXOK-YEJOONJESA-N 411.459 -1.342 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@H]2O)[C@H](O)[C@@H]1O 85736199 FUDXMJHOJWYSEJ-PQKKTGFZSA-N 414.360 -5.656 0 1 HAAF in-man C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]35[C@H]2O 100898603 KDKROYXEHCYLJQ-HEASLTEOSA-N 424.402 -1.514 0 1 HAAF in-vitro COc1cccc2nc([C@]3(O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O3)[nH]c12 587236036 WFNGGVBGFVHWIT-KJHHARIISA-N 411.411 -1.915 0 1 HAAF C[C@H]1C(=O)O[C@H]2[C@@H](O)[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@H]12 100772691 KDKROYXEHCYLJQ-JBFVOQCCSA-N 424.402 -1.514 0 1 HAAF endogenous,in-man C[C@@H]1O[C@H](O[C@H]2[C@@H](NC(=N)N)[C@@H](O)[C@@H](NC(=N)N)[C@@H](O)[C@H]2O)C(O)(O)[C@]1(C)O 2356447465 TVWDYAJGQFKWSL-QJEDERKRSA-N 408.412 -5.652 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)[C@@H]2CSCN2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 2356459262 FGOJJMNUGDJHDF-SRVKXCTJSA-N 419.529 -2.484 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)O[C@@H]1CO 2356519148 PMWSVNPTJDKITH-ZCPTZMEASA-N 418.395 -1.668 0 1 HAAF COc1ccc(C=CC(=O)OC[C@@H](CO)O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356690006 IPLHUSAZFXBRMO-DYRALMAWSA-N 414.407 -1.571 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14507237 LRRKTNFBBSNZEN-FBHBXDGQSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man NC[C@H]1O[C@@H](O[C@@H](CNC=O)[C@@H]2C[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O2)[C@H](O)[C@@H]1O 28228404 FKPFMTSLBWUVHM-JLLKQESGSA-N 416.387 -4.278 0 1 HAAF CN(CC[C@H](N)CC(=O)N[C@@H]1C=C[C@H](n2ccc(=N)nc2O)O[C@H]1C(N)=O)C(=N)N 2356785348 ABWQJHQBCNRNIY-GZZJDILISA-N 421.462 -2.575 0 1 HAAF CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 66075852 ALSWIEBYEVFVGS-SSQVOOHHSA-N 418.458 -1.256 0 1 HAAF O=c1ccn([C@@H]2[C@@H](O)[C@H](O)[C@]3(CO[P@@](=O)(O)OP(=O)(O)O)C[C@@H]23)c(=O)[nH]1 169319027 BFWUJFNKDUGYMX-OGTURZASSA-N 414.200 -1.954 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@H]2C(=O)OC 2356465241 KVSFLKZCIIGPEC-HAIKQVGXSA-N 418.395 -1.969 0 1 HAAF O=C(O)CC[C@H](NC(=O)C[C@@H]1O[C@H](n2ccc(O)nc2=O)[C@H](O)[C@H]1O)C(=O)O 2356590683 YEJAMBXFPICSSO-NGWHJEDISA-N 401.328 -2.608 0 1 HAAF COc1ccc(C(=O)N2CCN(C(=O)CN)[C@@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 5433811 QPBJHHRNAJJZRY-JKSUJKDBSA-N 417.466 -1.298 0 1 HAAF biogenic CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]1[C@H]32 38798039 IBIPGYWNOBGEMH-UYFOFEANSA-N 414.363 -2.296 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 85875790 DSDFXGQRZAFFQA-BYSZOHBESA-N 416.379 -2.859 0 1 HAAF in-man O=C1CCC=C[C@@]1(O)C(=O)OCc1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356520179 CZDNLUMNELLDDD-XOLGHGBMSA-N 424.402 -1.441 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)[C@@H](O)C[C@]12O 238770380 IKSXXSBNUQXFLT-PUFZJJAZSA-N 406.384 -3.036 0 1 HAAF C=C/C(=C\NC(=O)[C@@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O)CO 238785885 PYEDMQSECHECBB-FICPCAPJSA-N 406.388 -4.240 0 1 HAAF CC/C=C\CCO[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 255281920 XVEQZCCPXIQRBX-NQKSQKHDSA-N 424.443 -3.017 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@]2(C)O 2356431550 VIXATJMNFXMPDC-RARGQPMTSA-N 406.384 -3.036 0 1 HAAF O=C(O)[C@]1(O)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]([C@@H](O)CO)O1 2356532008 DUZKJPNVBIBICC-FEMOWHTASA-N 400.333 -5.552 0 1 HAAF [BH3-][P@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O 170168162 PABGEACFCMYPQE-PAHOEEHLSA-N 424.032 -2.373 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O 238771040 KKSYAZCUYVRKML-UKPWFIINSA-N 406.384 -3.036 0 1 HAAF C[C@@H]1CC[C@]2(O)[C@@]3(C)C[C@@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@]4(C)[C@](O)([C@H](C)CO)C[C@@]31O 257472989 LIGPZBKBGCJTGC-IBUPVHPXSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man CC(=O)OC[C@@H](CO[P@@](=O)(O)O[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O)OC(C)=O 263621169 WCCWBLFRGXINLH-XDQOZGBTSA-N 418.288 -3.199 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H]1C=C[C@@]2(O)CO 61947711 XJMPAUZQVRGFRE-GDHAGNFOSA-N 404.368 -3.258 0 3 HAAF O=C(O)[C@@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](OP)[C@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@@H]1P 95618003 FHVDTGUDJYJELY-INIJVORYSA-N 418.228 -3.515 0 1 HAAF in-man CCN1CCN(C(=O)N[C@H](C)C(=O)N[C@@H]2CN(S(=O)(=O)O)C2=O)C(=O)C1=O 95889716 AGPZWESIPLINSU-HTQZYQBOSA-N 405.389 -3.095 0 1 HAAF CN(CC[C@H](N)CC(=O)N[C@H]1CC[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)C(=N)N 103204889 QSDNSVYJGONIFW-ZNIXKSQXSA-N 424.462 -1.995 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 257419984 FUDXMJHOJWYSEJ-NMFQLGTFSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man OC[C@H]1O[C@H](O[C@@H]2CO[C@@H](OCc3ccccc3)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356521976 SKUMUKAMXQEGMM-JLZQUXJRSA-N 402.396 -2.534 0 1 HAAF O=C1OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@H](OC[C@H](O)[C@H]3O)Oc3ccc(O)c1c3)[C@H]2O 2356617635 KZFNTLYLMIGDHI-VXIPVLKQSA-N 400.336 -2.147 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@@]12C 2356668248 IZFHVJKSJGLTCX-LQCXIQENSA-N 418.395 -1.826 0 1 HAAF N=c1ccn([C@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)c(O)n1 2356745905 DHNKPBBSFXICPK-KDEXOMDGSA-N 405.360 -4.496 0 1 HAAF C[C@@](O)(CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 15104585 LCIXUGGPLIEEGU-XRUHVJFCSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]3O[C@H](C[C@@H]12)O[C@H]3O 256111940 PSTHWEAXBIXPRZ-BXNURTNHSA-N 420.367 -3.088 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 98208546 MPJUWDDYGSGMFC-LIZSDCNHSA-N 422.276 -5.280 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C(=O)C[C@H]2CO 238761417 JTIRVAMILJQVBT-XJSNKYLASA-N 404.368 -2.970 0 1 HAAF O=C(CC[C@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356345883 COBSRKLPDWFDCG-ROUIABKBSA-N 402.352 -1.783 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@H](O)[C@@]5(O)OC[C@@]34[C@@H]5[C@]2(C)[C@H](O)[C@@H](O)C1 2356759448 QASFGTPMWKRNSJ-AMWFLBOQSA-N 412.435 -1.812 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 257469592 KYVUMEGNMQDSHO-FFDQYEOWSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man COCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)NCc3cnn(C)c3)O[C@@H]2[C@H]1O 2356312829 MHYBNCMAJFEWDY-BJMQQELFSA-N 411.459 -1.342 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356449685 UOVCYPNTMQKFJE-SBZRRJQCSA-N 418.395 -2.657 0 1 HAAF N[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H]3O[P@](=O)(O)O[C@@H]32)O[C@H](CO)[C@H](O)[C@@H]1O 2356461278 ZULNQPCZALKHMF-HEMSLBQYSA-N 403.277 -4.881 0 1 HAAF N=c1nc(O)c2nc([C@H](O)[C@H](O)CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cnc2[nH]1 2356680215 ZOUNAJWXLVYCLF-RUUKSMTOSA-N 415.359 -4.251 0 1 HAAF O=C(NS(=O)(=O)c1cccc(F)c1)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 199715587 BJYXCIALSOXBNE-KZVDOYCCSA-N 415.355 -2.200 0 3 HAAF CC[C@@H](O)[C@@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49114582 YCQZTQARINCVLK-PDMJMGMUSA-N 402.360 -4.177 0 1 HAAF CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O)C(=O)NCC(=O)O 253633986 LHQMUBQLSPLSIO-ZFDYKFRGSA-N 408.360 -4.279 0 1 HAAF N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 299804937 RYSDKXFWOGEMJS-GBSARZEWSA-N 424.411 -6.416 0 1 HAAF COc1cc([C@H](O)[C@@H](O)CO)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356627079 VIKGCVPVRTWXMM-LKAIBLKYSA-N 406.384 -2.731 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 12502051 LABSPYBHMPDTEL-WNCVFJSCSA-N 422.276 -5.280 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 14590612 PPIXDGFHKZNFOD-DZIBUELQSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man CC(C)CCO[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 86049815 PPIXDGFHKZNFOD-IZGDGRQISA-N 412.432 -3.327 0 1 HAAF in-man CC1=C[C@H](O)[C@@H](O)[C@@]2(C)[C@@H]1C[C@H]1OC(=O)[C@H](O)[C@@]3(O)[C@@H](C)[C@@H](O)[C@]4(O)OC[C@]13[C@@H]24 95910556 UWYRJXAFHUSILA-XHSAYDAQSA-N 412.435 -1.956 0 1 HAAF biogenic,in-vitro N[C@H](Cc1nc2ccc(-n3cnnn3)cc2[n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c1ccn([C@@H]2C[C@@H](O)[C@@H](COCO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)O2)c(O)n1 2356750733 AUKICVAWSKVJRQ-AYTAAVQUSA-N 419.387 -3.493 0 1 HAAF O=c1ccn([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 40379200 PDEGDTTUBZXACY-ZOQUXTDFSA-N 402.189 -2.507 0 1 HAAF in-vitro CC[C@@H](O)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49114579 YCQZTQARINCVLK-GEGWIYECSA-N 402.360 -4.177 0 1 HAAF CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(N)=O 149730919 PDMJSANQUMISRI-XDTLVQLUSA-N 423.478 -2.805 0 1 HAAF C[C@H](O)[C@@H](O)[C@@H]1C[C@@H]2N[C@H]([C@H](O)[C@@H](C)O)C[C@@H]3N[C@H]([C@@H](O)[C@H](C)O)C[C@H](N1)N23 2356485303 ATZBQHDMBPFAHL-KJHAIVMJSA-N 404.508 -3.423 0 1 HAAF CCC[C@@H]1C[C@H](NC(=O)[C@H]([C@H](C)O)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@@H]2O)N(C)C1 2356565088 OKKCBNPDVFFQFL-ISFNTPFOSA-N 422.544 -1.636 0 1 HAAF N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]2O)c(O)n1 2356745902 DHNKPBBSFXICPK-ABVWGUQPSA-N 405.360 -4.496 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 257412456 FASIISXZAJLLSP-WQZIVPNWSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@@H]1C[N@]1C[C@H](O)C[C@@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 1857534083 ZFLQPYGPDPYNQY-YTMVRGIBSA-N 407.504 -1.798 0 1 HAAF Cc1cn([C@@H]2C[C@@H](O)[C@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 5543520 CWODJSMVWRIQCA-MDZLAQPJSA-N 418.370 -2.922 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@@H]5OC(=O)[C@@]3(O[C@@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O 100771993 LMEHVEUFNRJAAV-QZFLSZDZSA-N 424.402 -1.370 0 1 HAAF endogenous,in-man C[C@]1(CO)CO[C@@H](OC[C@H]2O[C@H](Oc3c(O)occc3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356537358 PPBQLEKMVJABAT-PNOWDNOGSA-N 420.367 -2.736 0 1 HAAF C/C=C1/[C@H](CC(=O)O)C(C(=O)OC)=CO[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14617957 XSCVKBFEPYGZSL-COCWKQFSSA-N 404.368 -1.747 0 1 HAAF endogenous,in-man CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H](CO)O[C@@H](O)[C@H](NC(C)=O)[C@@H]2O)O[C@@H](CO)[C@@H](O)[C@H]1O 15205787 CDOJPCSDOXYJJF-AWKNMCMDSA-N 424.403 -5.110 0 1 HAAF CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 66075845 ALSWIEBYEVFVGS-VRBXCPMESA-N 418.458 -1.256 0 1 HAAF C[C@H]1O[C@@H](O[C@H]2[C@H](O[C@H]3O[C@H](CN)CC[C@H]3N)[C@@H](N)C[C@@H](N)[C@H]2O)[C@@H](O)[C@H]1O 255233828 MGZAGNKMOLEXFA-AWLXJOGISA-N 406.480 -3.566 0 1 HAAF CCCCCC(=O)O[C@@H]1[C@@H](OC[C@@H](O)[C@@H](O)CO)O[C@H](COC(C)=O)[C@H](O)[C@H]1O 2356305135 OPVUPFDYAYSUFH-RCVRETJCSA-N 424.443 -1.781 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85911523 LRRKTNFBBSNZEN-ULVZMRLWSA-N 418.439 -1.824 0 1 HAAF in-man CC(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H]1O 2356593903 BCWFBSRSXRFEIL-HIGNAGHPSA-N 418.395 -1.668 0 1 HAAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@@H]2C1 13383693 IXJHZBNZTOAWNU-QIJWGJHTSA-N 424.453 -1.004 0 1 HAAF biogenic,in-vitro O=C(/C=C/c1ccc(O)cc1)OC[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238761779 HHNPREGNVCFCOP-BFQBLSCMSA-N 400.380 -1.874 0 1 HAAF N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[C@@H]1O[C@H]1OC(CO)=CC[C@H]1N 653737680 XEAXMCYZNMMNML-DRZKMKLPSA-N 421.447 -4.435 0 1 HAAF Nc1ncnc2c1c(SC1CC1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857620580 ONUHFBYQASQOJY-HTVVRFAVSA-N 418.457 -1.498 0 1 HAAF O=C(O)c1cc(O)c(O[C@H]2O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356583977 PCNPDUJUHNLVNS-WPYQSKQHSA-N 412.325 -2.198 0 1 HAAF O=P(O)(O)O[C@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1O 27759871 GHYKQXTYUPPQMF-AIECOIEWSA-N 404.094 -2.454 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 101842145 SQOJOAFXDQDRGF-OPECPOFGSA-N 424.402 -1.370 0 1 HAAF NC1=NC(=O)[C@@H]2N=C(c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)CO[C@@H]2N1 169301153 FMDCGKMELCGRDQ-HICWGWBUSA-N 417.378 -1.307 0 1 HAAF C/C=C1/[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 238751007 KYVUMEGNMQDSHO-VTLAXHRMSA-N 418.395 -1.658 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)[C@@H](O)C[C@]12O 238751557 NQSPWJNPZSDSTK-UZEXUYSMSA-N 406.340 -4.103 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356392226 UPOHPVGZYHVGEA-KJPHPDOHSA-N 402.396 -2.532 0 1 HAAF CCO[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C(=O)O[C@H]1[C@H](O)C=C(C)C 2356408780 OYRNAQRKPVOICQ-JYLRREKKSA-N 406.428 -1.923 0 1 HAAF C[C@@H](N)C(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H]1O 2356664868 LJCFNEWFKJURHR-WFKBRHAESA-N 413.376 -5.498 0 1 HAAF N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 56871244 SAFJOTXIKNUGOJ-MJUVKCPISA-N 414.371 -4.481 0 1 HAAF in-vitro Cc1c(Oc2cnc(C(=O)N[C@@H](CO)CS(C)(=O)=O)cn2)ccc2c1B(O)OC2 1772600099 KYWJEYJZWURDGO-LBPRGKRZSA-N 421.240 -1.070 0 1 HAAF CO[C@@H]1C=C(CO)[C@@H]2[C@H]1C(C(=O)O)=CO[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356587684 UGWIKFJKKFUZBT-DCOCOHJSSA-N 404.368 -2.693 0 1 HAAF N=C(N)NCC[C@H](N)CC(=O)N[C@@H]1C=C[C@@H](n2ccc(N)nc2=O)O[C@H]1C(=O)O 3643540 OJVBAQZCFZMOBW-GAQJKIJGSA-N 408.419 -2.561 0 1 HAAF biogenic NCCc1ccc(C(=O)NCC(=O)N2CCN(CC(=O)O)C(=O)[C@@H]2CC(=O)O)cc1 3922918 BLYNAXCUGJLQAA-AWEZNQCLSA-N 420.422 -1.484 0 1 HAAF O[C@@H]1[C@H](OC[C@H]2O[C@H](O[C@@H]3[C@@H](O)CO[C@@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)OC[C@@H](O)[C@H]1O 100827389 RBNRMSRJWILJMU-HBZGFYRASA-N 414.360 -5.656 0 1 HAAF endogenous,in-man Cn1c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]3O)c2n(C)c1=O 2356509171 GGZXXCLVVREIPK-AQAFXTQQSA-N 422.287 -3.477 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]3CO[C@H](C[C@@H]12)O3 2356542785 FDMHZAVPZJENRB-ANBASMHZSA-N 404.368 -2.406 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@@H]2CCN[C@H](C(=O)O)C2)[C@@H](O)[C@H]1O 62178665 PPAKVYRRHNXOLG-CYZRSLADSA-N 410.456 -1.034 0 1 HAAF C[C@@]1(N)COCCCCOC[C@@H](C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)CNC1=O 1772616821 CGDMBVIRDXHBBS-ZJNRKIDTSA-N 414.459 -1.793 0 1 HAAF COC(=O)C[C@H](C)C(=O)c1cccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356620630 ZVFWDSLLUZMSDS-RTTFIECPSA-N 400.380 -1.047 0 1 HAAF Cc1cn([C@H]2C[C@@H](OP(=O)(O)O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O 3870886 CSNCBOPUCJOHLS-GJMOJQLCSA-N 402.189 -1.280 0 1 HAAF in-vivo CCCn1c(=O)n([C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 27106920 TVJHDKPEPAEFOH-FCKMSMMTSA-N 421.303 -2.393 0 1 HAAF OCCCN(CCO)c1nc(N(CCO)CCO)nc(N(CCO)CCO)n1 28458141 MTEYXESYDCNCGF-UHFFFAOYSA-N 404.468 -3.365 0 1 HAAF CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O 58581492 FJGXDMQHNYEUHI-RWUFDMEESA-N 424.403 -5.110 0 1 HAAF in-vitro CC(=O)NC[C@@H](OP(=O)(O)O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 169339537 UPXZUBCWDQNNSR-CCUOFAIOSA-N 418.303 -2.358 0 1 HAAF C[C@H](C=C[C@@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356454147 AQDQRSAVDNFBEA-RNNISQKASA-N 402.440 -1.363 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@](O)(CO)[C@H]1O 2356506045 YSMFIJDRMWRYKD-VXZRPZIYSA-N 416.423 -2.490 0 1 HAAF OC[C@@H]1O[C@@H](N2CCN([C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)CC2)[C@@H](O)[C@H](O)[C@@H]1O 22947439 AAHLQODCOIMLFS-BRBDFJPISA-N 410.420 -5.796 0 1 HAAF CC(C)[C@H](NC(=O)C[C@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O 84726082 OIEULKNNPCSEER-DDQZHWFXSA-N 417.459 -1.329 0 1 HAAF CC[C@@H](CO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356550995 WTSRJBCPXZKTRQ-SVZAQXAQSA-N 424.487 -1.663 0 1 HAAF COc1cc(/C=C/C(=O)O[C@@H]2O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 95626130 YAIVMBWMHPRYKU-VKAIBYOUSA-N 400.336 -1.142 0 1 HAAF in-man CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@]34O[C@H]5OC(=O)[C@H](O)[C@]51[C@@]23C[C@H]1OC(=O)[C@](C)(O)[C@@]14O 101121391 CXKDMDVEHLPRGY-GDEMEDBESA-N 424.402 -1.225 0 1 HAAF COc1cc(/C=C/CO)ccc1O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238760151 PGJYVMDPNVGNPV-QZXPUAEASA-N 416.423 -1.743 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@H](O[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H]1O 238770032 ONUWJUACWORIMJ-QUWILYATSA-N 402.396 -2.534 0 1 HAAF CC1=C[C@](O)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@](C)(O)[C@]1(O)C=C[C@H](C)O 2356667809 QHHLSVRCVLRKCJ-UEYMNGOMSA-N 406.428 -2.739 0 1 HAAF NCC(=O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 31539937 HROXHMRQKGGIFT-JJNLEZRASA-N 404.276 -2.353 0 1 HAAF in-vitro O[C@H]1[C@H](O)CO[C@@H](O[C@H]2[C@H](O)CO[C@@H](O[C@H]3[C@H](O)CO[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H]1O 95635621 WKSXOLNEYANUQB-KWGKWNPMSA-N 414.360 -5.656 0 1 HAAF in-vitro N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H]1C[C@H](N)[C@@]2(C[C@H](O)[C@H](O)CO2)[C@H](O)[C@H]1O 103266672 SFJUZNVPTYKGBZ-CGKZCFGXSA-N 411.455 -2.920 0 1 HAAF CCCC(=O)N[C@H]1[C@H](O)[C@H](O)[C@@H](O[C@@H]([C@@H](O)CN)[C@H](N)[C@H](O)CO)O[C@H]1CO 238738356 MYZPFWFUSVUBQI-KPXFWZQNSA-N 411.452 -4.904 0 1 HAAF Cc1cc(N)c2c(c1)C(=O)C[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O)O2 587406767 FEMWODLGIUAIIS-MQLXINIDSA-N 407.312 -1.536 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2CO[C@H](OC)C[C@H]12 2356716132 DGNXCLIPLOECFN-VLODEYCRSA-N 406.384 -1.547 0 1 HAAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@H](C(C)(C)OS(=O)(=O)O)[C@@H]2C1 14920459 IXJHZBNZTOAWNU-AYIRFLAZSA-N 424.453 -1.004 0 1 HAAF biogenic,in-vitro OC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@H](O)OC[C@H]2O)[C@H](O)[C@@H]1O[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O 255208734 FASIISXZAJLLSP-JVCYUSCSSA-N 414.360 -5.656 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587825932 CKJASRCTTCTDJF-HWALZYLUSA-N 424.263 -1.040 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NS(C)(=O)=O)O[C@@H](COC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2178319850 CYXBIYOCHXCHAJ-YTFOTSKYSA-N 424.428 -1.808 0 1 HAAF C[C@H]1C[C@H](O)CC(C)(C)[C@]1(O)C=C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356565495 YIAQIGPDWXVEJQ-KSGLZHGVSA-N 406.472 -1.732 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 36383808 ONUWJUACWORIMJ-ULUNUWKISA-N 402.396 -2.534 0 3 HAAF CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@H]1C(=O)N[C@@H]1CCCNC1=O 25428101 WYEOXGDOZIGDCA-KGLIPLIRSA-N 409.468 -1.438 0 1 HAAF biogenic N=C(N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O 39832074 RSMIHCFQDCVVBR-CIUDSAMLSA-N 417.423 -3.629 0 1 HAAF in-vitro C[C@@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C(=O)O)N(C)C(=O)[C@H](N)Cc1c[nH]cn1 60183930 LMUHIYQHLMCRNZ-QQUHWDOBSA-N 407.431 -1.412 0 1 HAAF in-vitro N=c1nc(O)c2cc(CC(=O)NCCCC(=O)N[C@@H](CCC(=O)O)C(=O)O)[nH]c2[nH]1 1857747395 ZUPOLQOQXJAAHS-JTQLQIEISA-N 422.398 -1.051 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O 26750257 MMWCIQZXVOZEGG-UZAAGFTCSA-N 420.093 -3.484 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(CCN1CCCCC1)c(=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27107556 LRVDIWDBHQPMSK-CGEWXTDFSA-N 410.431 -2.434 0 1 HAAF Cc1cn([C@H]2C[C@@H](O)[C@@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895524 SJGIZVRSHOSUJA-NQBHXWOUSA-N 418.370 -2.922 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 137603438 WSGPLSDARZNMCW-GMXCCLBCSA-N 404.368 -3.258 0 1 HAAF C[C@H]1C(=O)O[C@H]2C3=C(CO[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)C=CC3=C(CO)CC[C@@H]12 2356405291 OKFZDVVBDJWAMD-FAFABQCDSA-N 424.446 -1.070 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356656827 ZCNREQTVGGXJTO-UJONHNNBSA-N 408.444 -1.989 0 1 HAAF CNC(=O)[C@@H]1O[C@@H](OC)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O 95565418 LXDMOEOWIMHWFI-LUSNKUFMSA-N 424.403 -4.846 0 1 HAAF C[C@H](O)[C@@H](O)[C@@H]1C[C@@H]2N[C@H]([C@@H](O)[C@H](C)O)C[C@H]3N[C@@H]([C@H](O)[C@H](C)O)C[C@@H](N1)N32 255197186 ATZBQHDMBPFAHL-VZAQODHQSA-N 404.508 -3.423 0 1 HAAF CS[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@H]1O 40527379 ZDQUEPDNMYMYGB-YTBGYOSVSA-N 417.488 -2.317 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]3O[C@H](C[C@@H]12)O[C@@H]3O 2356451732 PSTHWEAXBIXPRZ-WAQUIZFBSA-N 420.367 -3.088 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@@H]12 2356478729 PIFFAIMSAYMMCE-ATFMWOTESA-N 418.395 -2.868 0 1 HAAF Cc1c(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@@H](C)[C@H]2O 2356485571 LRNTYOVTZADMMX-VHCBRRNFSA-N 412.435 -1.288 0 1 HAAF CC(=O)NCC[S@@](=O)C1=C(C(=O)O)N2C(=O)[C@@H](C(C)(C)OS(=O)(=O)O)[C@H]2C1 13383695 IXJHZBNZTOAWNU-NPYUWCEFSA-N 424.453 -1.004 0 1 HAAF biogenic,in-vitro C[C@@H](/C=C/[C@@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38346540 XZRJEYQBLXDNNU-NZFLOORKSA-N 406.472 -1.589 0 1 HAAF biogenic,in-vitro CC(=O)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)[C@H]1O 13348001 CDOJPCSDOXYJJF-RESBMZLOSA-N 424.403 -5.110 0 1 HAAF in-vitro O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O 14930888 OMFHKRCSRGUKRK-QVLXMGEUSA-N 406.365 -1.424 0 1 HAAF OC[C@@H]1O[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1OCc1ccccc1 59589257 FRACCEHBKJCTJJ-QSGWYMNVSA-N 416.423 -2.491 0 1 HAAF biogenic,in-vitro CCCCNc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 66075847 ALSWIEBYEVFVGS-QDBNXDDJSA-N 418.458 -1.256 0 1 HAAF CC(C)[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)CC[C@@](C)(O)[C@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356465911 LMIQUJRQXXTHNG-CFSNEABISA-N 420.499 -1.654 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356516704 GZSQKOFXMZDKPV-VYGHDBGSSA-N 416.423 -2.490 0 1 HAAF C[C@H]1C[C@@H](O)CC(C)(C)[C@]1(O)C=C[C@H](CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356518308 MOCRJZJERZYGCF-CBSRJZMISA-N 406.472 -1.732 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]3CO[C@H](C[C@H]12)O3 2356542789 FDMHZAVPZJENRB-OBXVFQMNSA-N 404.368 -2.406 0 1 HAAF C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O 31155045 SGUOENJPMRQEMJ-UWAGUHGBSA-N 406.472 -1.589 0 1 HAAF C[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2NC(=O)c3c(cc4c(c3O)OCO4)[C@H]21 38838642 ZHHCZHUMIUUUGR-UMFAEFLUSA-N 411.363 -1.905 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]3O[C@H](C[C@@H]12)O[C@@H]3O 256111945 PSTHWEAXBIXPRZ-NJHWNIADSA-N 420.367 -3.088 0 1 HAAF O[C@@H]1[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O 13660141 WOGBNISMMIOPAZ-VQKHCMNNSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)C[C@@H](O)[C@]2(C)O 238780564 VFYACENSDOLJGQ-PGGOCHSHSA-N 422.383 -3.921 0 1 HAAF Cc1cn([C@@H]2C[C@@H](N)[C@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)[nH]c1=O 95618632 RDVUSEMLHAXQRK-FAGFWGMDSA-N 417.371 -3.631 0 1 HAAF in-man O=C(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 238740896 XCYNBEZJSJGJGO-HGAAGWHZSA-N 416.379 -2.893 0 1 HAAF CC1=CCO[C@H]1NC(=O)[C@H](O)C[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)O 238787180 QRYALAVQOARQPI-RNERNJPYSA-N 406.388 -4.000 0 1 HAAF CO[C@@H]1O[C@H](Cn2cc(CO[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H]1O 2178319949 OHAWNNSROPIUKC-TZNDINBQSA-N 407.376 -4.312 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356682472 MJAVHXIMPOPFJG-SDEHUREGSA-N 404.368 -2.964 0 1 HAAF COC[C@@H]1CCCN1C(=O)CC[C@@H]1CNC(=O)[C@@H]2C[C@@H](NS(C)(=O)=O)CN21 2356857108 SGODCWJWYTTWBH-KBXIAJHMSA-N 402.517 -1.106 0 1 HAAF CN[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)O)[C@@H](C)N[C@@H](Cc1c[nH]cn1)C(=O)O 15214851 LUOBEJSTJAVJPL-QQUHWDOBSA-N 407.431 -1.493 0 1 HAAF biogenic CC(C)[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)[C@@H](C)O 169329949 XIWPGSBYIPDCGK-VCHBTMOCSA-N 419.435 -4.243 0 1 HAAF Cc1cc(O)cc(O[C@@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c1 238752453 UOVCYPNTMQKFJE-FKFRMCCMSA-N 418.395 -2.657 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](O)[C@H](O)[C@@]2(C)O 2356699170 HHDWDLBSGSYIQQ-PUFAEXMFSA-N 422.383 -4.065 0 1 HAAF COC(=O)[C@H](C)NC(=O)[C@H]1CN(C(=O)C2CCNCC2)CCN1S(C)(=O)=O 25429151 XKYWIJPCGJKBKL-WCQYABFASA-N 404.489 -1.864 0 1 HAAF biogenic Nc1nc2c(c(=O)[nH]1)n(Cc1ccc(Cl)cc1)c(=O)n2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27106932 HBZCCPFFUYHJGG-CGEWXTDFSA-N 423.813 -1.218 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@H](CO)C(=O)O)cc1 27639017 AYSGQIAHAWESQC-SNVBAGLBSA-N 402.385 -3.258 0 1 HAAF CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48998483 VZCBWDDKSICCRV-OESSWVNASA-N 400.388 -2.901 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](CS(=O)(=O)CC[C@H](N)C(=O)O)[C@H](O)[C@@H]1O 40499074 WEJCSEDKUUEPSC-YSBPJYLOSA-N 414.444 -2.092 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@@H](O)[C@@H]2CO 40919223 GTEDLLYKAJRTNK-CBQOGAMZSA-N 406.384 -3.178 0 1 HAAF CCCCNc1c(NC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)c(=O)c1=O 103254326 IJRYROIEXPFMDF-OJJZPKOSSA-N 417.426 -1.052 0 1 HAAF Cn1c(N)nc2c(nc(OCc3ccccc3)n2[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c1=O 299814402 GGBYVYDNNBAHOS-QOFRNUMZSA-N 403.395 -1.097 0 1 HAAF CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49113584 VZCBWDDKSICCRV-FAZUOUSNSA-N 400.388 -2.901 0 1 HAAF C[S@](=O)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857567698 RWCPYASVUIGMLN-APLVOXPXSA-N 408.418 -3.015 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@](O)(CO)[C@H]1O 2356406503 YHDAKZKWAOSYLU-YWYOWCKWSA-N 420.367 -3.408 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O 59064427 KKSYAZCUYVRKML-LDFSCPKOSA-N 406.384 -3.036 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C2=C(CO)[C@@H](O)C[C@H]12 2356450767 IWDXNCIWSRAIAR-WSBBZWECSA-N 404.368 -3.114 0 1 HAAF CC[C@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84596702 SUDWCMCLJCFGFM-TWBCTODHSA-N 402.433 -1.124 0 1 HAAF O=c1ccn([C@@]23C[C@H]2[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)c(=O)[nH]1 101300900 JHFKAICFACMATE-UVWAWMSZSA-N 414.200 -2.170 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@@]12O 2356423218 RDRJMXSIBSPVSQ-XQQPWSJRSA-N 420.367 -3.855 0 1 HAAF CC(=O)OC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC(=O)O[C@@H]2C 2356444657 CZNFJYHDUOEVJW-KHYXSEMTSA-N 404.368 -1.869 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](N)CCC(N)=O)C(=O)O 39803481 MAGNEQBFSBREJL-VWYCJHECSA-N 403.436 -2.373 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](C(C)=O)[C@@H]1CCO 2356647920 ZHZLKLUSFUQKQE-OHZJWDJVSA-N 406.384 -2.580 0 1 HAAF CC[C@H](O)c1cn([C@H]2C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]2NC(C)=O)nn1 34892354 WNTRNZUHJUZMDW-PAUVFPHUSA-N 400.388 -2.151 0 1 HAAF C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 96095013 YIQAOPNCIJVKDN-XKNYDFJKSA-N 415.403 -3.271 0 1 HAAF in-vitro C[C@H](NC(=O)[C@]1(O)C[C@H](O)[C@@H](O)[C@@H](NC(=O)Nc2ccc(F)cc2F)C1)C(N)=O 2356606027 ZUEDMVNQYQGNTG-PJVJDZRBSA-N 416.381 -1.308 0 1 HAAF CNCC(=O)Nc1ccc(S(=O)(=O)/N=c2\sc(S(N)(=O)=O)nn2C)cc1 13800527 WQNDOASZRAMVMT-BOPFTXTBSA-N 420.498 -1.424 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1NC(=O)c1cc(O)cc(O)c1 40499080 USWKJQTWIWBSFB-ZKAWZIJESA-N 402.367 -1.131 0 1 HAAF NC1=NC(=O)[C@@H]2N=C(c3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)CO[C@@H]2N1 40504214 FMDCGKMELCGRDQ-NKFCBESUSA-N 417.378 -1.307 0 1 HAAF O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 263636286 DVKFVGVMPLXLKC-WSOCWGTFSA-N 422.276 -5.890 0 1 HAAF C[C@H]1C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC(C)(C)[C@@]1(O)C=C[C@@H](O)CO 2356651187 FCSXIFYRVMQLAX-IAXOHRNBSA-N 406.472 -1.732 0 1 HAAF CC(=O)OCC1=C[C@@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356662319 KYTISVZGNSQNDO-TZBDBGFYSA-N 404.368 -3.116 0 1 HAAF O=C([C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)N1CCN(Cc2ccccn2)CC1 95599381 AQWWCVDCLXZVNX-UIBIWLFHSA-N 417.422 -2.105 0 3 HAAF C[C@@](O)(CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334905 LCIXUGGPLIEEGU-MVACNKBASA-N 424.402 -1.336 0 1 HAAF in-man COCC(=O)O[C@H]1[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)O[C@@H](CO)[C@H]1O 40608960 NNONZLUPBQRBKD-ZKWGZKRBSA-N 421.200 -1.289 0 1 HAAF C[C@H](NC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@H](NC(=O)Nc2ccc(F)cc2F)C1)C(N)=O 2356606028 ZUEDMVNQYQGNTG-VWJVKMBASA-N 416.381 -1.308 0 1 HAAF O=c1[nH]c(=O)n([C@H]2O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@H](O)[C@@H]2O)cc1F 17354008 FOZCNVFQOJRHFF-LKXGYXEUSA-N 422.151 -2.479 0 1 HAAF C[C@@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 35456935 MOCRJZJERZYGCF-PEXZKZDASA-N 406.472 -1.732 0 1 HAAF CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 45335292 QEXWQSCECHIMQL-ZOQUXTDFSA-N 418.188 -1.964 0 1 HAAF in-vitro,metabolite CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@H]43)[C@H](O)[C@@H]2O)ncn1 66078225 XMEAOSKAEHMIKO-XYMAIBRFSA-N 404.431 -1.648 0 1 HAAF CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c2ccccc21 2356651525 QKHYSKWZRQYVRE-PEIDBSBVSA-N 413.423 -2.457 0 1 HAAF O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@H](O)[C@@H](O)[C@H](O)CO)c2[nH]1 15274297 TXDRHIOQUDLCPV-OPQQBVKSSA-N 406.351 -2.779 0 1 HAAF biogenic CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@H](N)[C@H]1O 27078549 BIDUPMYXGFNAEJ-GOKARVTBSA-N 405.496 -3.585 0 1 HAAF O=c1cc(P(=O)(O)O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 95635802 UOHNQAKDCVUDFE-YXZULKJRSA-N 404.161 -3.932 0 1 HAAF in-vitro O=P(O)(O)O[C@]1([C@]2(CO)O[C@H](CO)[C@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 263636284 DVKFVGVMPLXLKC-LPNNQQBJSA-N 422.276 -5.890 0 1 HAAF COc1ccc(C(=O)N2CCN(C(=O)CN)[C@H](C(=O)N[C@H]3CCCNC3=O)C2)cc1 25431252 QPBJHHRNAJJZRY-HOTGVXAUSA-N 417.466 -1.298 0 1 HAAF biogenic CCNC[C@@H]1CC[C@H](N)[C@H](O[C@H]2[C@@H](O)[C@@H](N(C)C(=O)CN)[C@@H](OC)C[C@H]2N)O1 33885827 XKGUGTMUSMUVIP-NTFDUCEASA-N 403.524 -2.294 0 1 HAAF biogenic CC(=O)OC[C@H]1O[C@@H](N2C=N[C@H]3C(=O)N=C(N)N=C32)[C@H](OC(C)=O)[C@@H]1OC(C)=O 169320391 TTZKICPWFKCOKP-ACVJOUTJSA-N 409.355 -1.896 0 1 HAAF NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@]1(C[C@@H](O)CO)B5B1B4B12 299841796 NLVASRZWGZOVHD-OWCLPIDISA-N 407.579 -3.089 0 1 HAAF C[C@H](C=C[C@]1(O)[C@@H](CO)CC(=O)CC1(C)C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606220 HNFCTWJBJGEYGD-WMPOGSFESA-N 404.456 -1.524 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C(=O)O)=CC[C@H]12 2356677880 YJKFNTLLJXVFFB-ABWDLKMYSA-N 402.352 -2.137 0 1 HAAF O=P(O)(O)O[C@@H]1C[C@@H](O)[C@@H](OP(=O)(O)O)[C@H](O)[C@H]1OP(=O)(O)O 13833365 BGGUSFMGMVDPIN-DVKNGEFBSA-N 404.094 -2.454 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@H](CS(=O)(=O)CC[C@H](N)C(=O)O)[C@@H](O)[C@@H]1O 27548537 WEJCSEDKUUEPSC-VNJKPEEASA-N 414.444 -2.092 0 1 HAAF C/C=C1/[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 86030261 KYVUMEGNMQDSHO-GPBOTTIISA-N 418.395 -1.658 0 1 HAAF in-man CC(=O)N[C@@H]1[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@@H](NC(C)=O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O 299818733 CDOJPCSDOXYJJF-ASUXTJROSA-N 424.403 -5.110 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2[C@H](OCc3ccccc3)OC[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356614971 QTQBCCQSMXVWNI-LMRLDWOVSA-N 402.396 -2.534 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 2356646949 VLRGBWXSYFMTKJ-FEQHQGNOSA-N 412.432 -3.327 0 1 HAAF O=c1ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OS(=O)(=O)O)[C@@H](O)[C@H]2O)c(=O)[n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n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O 169339585 PGXWJSVOUFRTPL-KWGHVAAJSA-N 403.288 -1.515 0 1 HAAF N=C(N)NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@H](O)[C@H]3O)c12 2356355785 HEPDMOJOMOXAQO-LUXYFRNMSA-N 408.411 -1.710 0 1 HAAF O=c1[nH]cnc2c1ncn2[C@@H]1C[C@@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O1 35270725 BKUSIKGSPSFQAC-VQVTYTSYSA-N 412.188 -1.006 0 1 HAAF biogenic CCCC[C@@H](N)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49112825 MJLANALQVVJGQU-OJRKOUOBSA-N 400.388 -2.757 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)OC[C@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257434544 HHNPREGNVCFCOP-VBUVAGSQSA-N 400.380 -1.874 0 1 HAAF C[C@](O)(CO)[C@H](O)COC(=O)C=Cc1ccc(OC[C@@](C)(O)[C@@H](O)CO)c(O)c1 2356394709 GTNFLOUXEFGGSM-OGWHTMIXSA-N 416.423 -1.464 0 1 HAAF COc1ccc(C[C@H](NC(=O)[C@]2(O)C[C@H](O)[C@H](O)[C@H](NC(C)=O)C2)C(N)=O)cc1 6293737 IRSWYQVPCMHTQR-POORBHPNSA-N 409.439 -2.041 0 1 HAAF biogenic NC[C@H]1O[C@@H](O[C@H](CO)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27562489 CSZXHEFWJRKHDV-BHYIOSKSSA-N 405.360 -5.061 0 1 HAAF O[C@H]1[C@H](O)CO[C@@H](Oc2ccc3cc(O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)ccc3c2)[C@@H]1O 28714115 UEIQBGKLSLSOQS-MUIRKLTRSA-N 424.402 -1.525 0 1 HAAF O=C(O[C@H]1O[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 95099030 WGYAFONFGRTQCH-FCESTNIZSA-N 402.352 -2.936 0 1 HAAF biogenic,in-vitro O=S(=O)(O)O[C@@H]1[C@@H](CO[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](O)[C@H](O)[C@H]1O 212412709 PHBNZSXYHCHLCJ-MFRLZQSSSA-N 422.361 -5.570 0 1 HAAF in-vitro CCC/C=C/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 85508224 YDNJAFJOMNMVCI-VHKNAYBCSA-N 424.443 -3.017 0 1 HAAF biogenic,in-vitro C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@H](O)[C@@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O 97943389 LMEHVEUFNRJAAV-SPKKSASHSA-N 424.402 -1.370 0 1 HAAF COc1cc(C(=O)OC[C@H]2O[C@H](O[C@H]3COC(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 2356660202 BTCMNPWDMQYXQL-MOPDKNHISA-N 414.363 -1.303 0 1 HAAF N=C1N[C@H]2[C@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)[C@]23N1 238764158 GEQVLVSQKTUBFK-GWWBTZNMSA-N 411.353 -5.708 0 1 HAAF CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356665353 CXHZQLWHXWSWCF-PFRXKBSESA-N 414.495 -1.004 0 1 HAAF CC[C@H](C)[C@H](NC[C@@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)N[C@@H](CCC(=O)O)C(=O)O 3924509 OJDUYMYADCXNAN-ULOLQORYSA-N 422.431 -2.774 0 1 HAAF CNC(=O)CCCCO[C@@]1(C(=O)O)C[C@@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1 26840162 MZXVATPDYBSKIH-IWEZOXBWSA-N 422.431 -2.931 0 1 HAAF CC(C)CCO[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257514617 PPIXDGFHKZNFOD-HEGVGSSCSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man CC(=O)N[C@H]1[C@H](O[C@@H]2[C@H]3CO[C@H](O3)[C@H](NC(C)=O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O 263621106 UVQRTGABPMLDOA-KSKNGZLJSA-N 406.388 -4.064 0 1 HAAF in-vitro O=C(Cc1ccccc1)[C@@H]1O[C@H](O[C@@H]2CO[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356743441 COIWSEYSYQONRZ-GCUSKBINSA-N 414.407 -2.896 0 1 HAAF CCC[C@H](N)C(=O)N[C@@H](CNC(=O)/C=C/C(=O)OC)C(=O)N[C@@H](CCC)C(=O)O 28764886 NBYNBKICKQQPOJ-DGWFCWONSA-N 414.459 -1.187 0 1 HAAF Nc1nc2c(ncn2CCN(CCP(=O)(O)O)CCP(=O)(O)O)c(=O)[nH]1 95571917 JGCOPSLIOMTBDT-UHFFFAOYSA-N 410.264 -1.641 0 1 HAAF O=C1CC[C@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 2356442404 ATYNVCXMADLPJQ-WAPHRKHCSA-N 400.336 -1.383 0 1 HAAF N[C@@H]1[C@H](O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@@H]3O[P@](=O)(O)O[C@@H]32)O[C@H](CO)[C@@H](O)[C@@H]1O 2356461279 ZULNQPCZALKHMF-HQIHMDMFSA-N 403.277 -4.881 0 1 HAAF COC(=O)C1=C2C[C@H](O)[C@@H](C)[C@H]2[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H]1OC 95911262 PSQQPRMLISSRFV-VYVLMKMUSA-N 420.411 -2.382 0 1 HAAF biogenic,in-vitro C[C@H](CC(C)(COC(=N)O)COC(=N)O)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356600272 GNJYITKRBXPECB-DZXYHILESA-N 410.376 -1.301 0 1 HAAF O=C1OC[C@@]2(O)CO[C@@H](O[C@@H]3[C@H](OC[C@H](O)[C@H]3O)Oc3ccc(O)c1c3)[C@@H]2O 2356617633 KZFNTLYLMIGDHI-IIGIQZRGSA-N 400.336 -2.147 0 1 HAAF CC1=C[C@](O)(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@](C)(O)[C@]1(O)C=C[C@@H](C)O 2356667808 QHHLSVRCVLRKCJ-QQVHTNKGSA-N 406.428 -2.739 0 1 HAAF OCCCNc1nc(NC[C@H]2CCCO2)c2ncn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1 49089995 NUQUAHKGOQMJBA-YAQWBVNKSA-N 424.458 -1.177 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@@H](O)[C@H](C)[C@@H]23)O[C@@H]1CO 2356519145 PMWSVNPTJDKITH-CJTUTHLVSA-N 418.395 -1.668 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2356598935 GTHIFXIHABRYRL-SWDCAWGWSA-N 416.376 -6.020 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](O)C[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@@H]1O 26825429 BGGUSFMGMVDPIN-RDQKPOQOSA-N 404.094 -2.454 0 1 HAAF COc1ccc(Cn2c(=O)n([C@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1 27106464 MVJCRZFPDBQJCZ-XQCUEUFKSA-N 419.394 -1.863 0 1 HAAF N=C(N)NCCC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O 39811330 WEDZFLRYSIDIRX-IHRRRGAJSA-N 408.459 -2.134 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]21O 97943390 LMEHVEUFNRJAAV-WUUDCIGDSA-N 424.402 -1.370 0 1 HAAF O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCNCC3)[C@H](O)[C@H]2O1)N1CCS(=O)(=O)CC1 2356597719 SIUAXZCKJHKVLC-HITLURFISA-N 417.528 -1.739 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@H](O)[C@@H]1O 13376359 WOGBNISMMIOPAZ-XCNIEYQOSA-N 402.396 -2.534 0 1 HAAF in-man C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]1CCCN1)C(=O)N1CCC[C@H]1C(N)=O 26488175 UJDHALUBFQAPDU-MRLBHPIUSA-N 409.487 -1.929 0 1 HAAF COC(=O)c1nnn(C[C@@]2(C)[C@H](C(=O)O)[C@@H]3C(=O)C[C@@H]3S2(=O)=O)c1C(=O)OC 29240650 CJHINZCBCHTSOE-BCVALVRMSA-N 415.380 -1.303 0 1 HAAF N[C@@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@@H](O)[C@H]1CN2C(=O)C[C@@H]2O1 56871243 SAFJOTXIKNUGOJ-UGHULUSNSA-N 414.371 -4.481 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)CC(=O)[C@]12O 67902760 PRZVXHGUJJPSME-OFKRMOSHSA-N 404.368 -2.828 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@@]5(O)C(=O)OC[C@@]34[C@@H]5[C@]2(C)[C@H](O)[C@H](O)C1 2356337258 WTELTUSRXDOCFZ-LZRNEPHXSA-N 410.419 -1.604 0 1 HAAF NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CNCCNCC(=O)O)s1 22925420 REIGVLGTWNLCMV-UHFFFAOYSA-N 409.450 -3.106 0 1 HAAF NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)N1C(=O)NC[C@@H]1C(=O)O 27750841 VXFHUOOOTICIKU-HBNTYKKESA-N 407.387 -2.015 0 1 HAAF C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 139701947 FOTLPTROGZIOGT-QVEIUOGUSA-N 424.399 -3.880 0 1 HAAF CO[C@H]1[C@@H](O)[C@@H](N)[C@@H](O[C@@H]2O[C@@H]([C@H](C)N)CC[C@@H]2N)[C@@H](O)[C@@H]1N(C)C(=O)CN 27078542 BIDUPMYXGFNAEJ-UGSSKXELSA-N 405.496 -3.585 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N2CCC[C@H](C(=O)O)C2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84710937 VQZMCNUKRLVDRG-PAUVFPHUSA-N 402.400 -2.262 0 1 HAAF C[S@@](=O)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857567699 RWCPYASVUIGMLN-MTLFWFQRSA-N 408.418 -3.015 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@@H]2O)c1 2356560766 DXWKSZVPTMMDPT-KJPHPDOHSA-N 418.395 -2.656 0 1 HAAF CC(=O)OCC1=C[C@H]2OC(=O)C3=CO[C@@H](O[C@@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H]1[C@H]32 14957615 IBIPGYWNOBGEMH-UZNDLDIFSA-N 414.363 -2.296 0 1 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)OC)[C@H]1CC(=O)OC 2356774603 BLSKAXDYTCOOKT-WKCXKHQWSA-N 418.439 -1.120 0 1 HAAF O=C(O)[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)C1=O 2356781460 BFQRXDLXCAJSSC-UDFIWKGYSA-N 418.311 -4.315 0 1 HAAF O=C(O)CN(C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O)CP(=O)(O)O 26502218 VUFLGAGEDNEJIV-GCXDCGAKSA-N 413.209 -3.939 0 1 HAAF C[C@@H](N[C@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 40718642 UILSQVXVCCBDQF-BLFANLJRSA-N 414.415 -1.248 0 1 HAAF O[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)O[C@@H]1CO[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 238760409 WOGBNISMMIOPAZ-WRXCUOICSA-N 402.396 -2.534 0 1 HAAF CO[C@H]1[C@H](O)[C@@H](O[C@@H](C)[C@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)O[C@H](CO)[C@@H]1O 2356716017 ZQLTUOZZFIPZMO-PZQDKBLNSA-N 413.387 -2.570 0 1 HAAF C[C@@](O[C@H]1CC(C(=O)O)=C[C@H](OP(=O)(O)O)[C@@H]1O)(OP(=O)(O)O)C(=O)O 34239396 QUQKBSPZUVNKIF-CLIVKXMMSA-N 422.172 -1.465 0 1 HAAF in-vivo C/C=C1/[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)OC 238744146 KYVUMEGNMQDSHO-QRSNXUKASA-N 418.395 -1.658 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C 238788327 MQSFSEGMDJUVRU-ZLLSAGOKSA-N 404.412 -1.761 0 1 HAAF C[C@H](O)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)N[C@H](CCCCN)C(=O)O 2356437701 CLEGSEJVGBYZBJ-SRMUXQRQSA-N 410.471 -1.174 0 1 HAAF OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCCc3ccccc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c2cc3ccc(=O)oc3cc2O1 238761791 LCIXUGGPLIEEGU-VWFOVLTISA-N 424.402 -1.336 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N1 587825522 AKAHJAZGXXTSSN-HWDRXABWSA-N 424.263 -1.254 0 1 HAAF CC(=O)OCC1=C[C@H](O)[C@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356662320 KYTISVZGNSQNDO-ZZVPLFGRSA-N 404.368 -3.116 0 1 HAAF CO[C@H](C)C(=O)N[C@H]1[C@H](C)O[C@H](O[C@H]2[C@@H](O)[C@@H](C)O[C@@H](O)[C@@H]2O)[C@H](OC)[C@]1(C)O 64633734 WXRMULXJDGUOQT-VBMXOBBHSA-N 423.459 -2.139 0 1 HAAF in-vitro O=S(=O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](CO)O[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356307419 WVFKPISWLUJJIJ-AFMDKZSTSA-N 422.361 -5.570 0 1 HAAF COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 2356378134 XLAAFUIQGACOIR-IANYNEOOSA-N 412.391 -1.349 0 1 HAAF NCCC[C@H](N)CC(=O)NCCC[C@@H](N)CC(=O)NCCC[C@H](N)CC(=O)O 2356678042 POCPKVLNHOLZGM-ZNMIVQPWSA-N 402.540 -1.245 0 1 HAAF CCCC[C@H](NC)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49089671 YYDGPMVJEFGKJC-BHINPTTPSA-N 414.415 -2.497 0 1 HAAF Nc1ncnc2c1ncn2[C@@H](CO)O[C@@H](CO)C[S@](=O)CC[C@@H](N)C(=O)O 169318010 FSSFRDONUPDVRP-BGXNOJSISA-N 402.433 -2.172 0 1 HAAF COC(=O)[C@H](CO)O[C@H](O[C@@H]1OC=C[C@@]2(O)[C@H](O)C[C@](C)(O)[C@@H]12)[C@@H](O)C(=O)OC 238730889 CNNYMNKPTOVMNY-ZTWBAFEGSA-N 422.383 -2.854 0 1 HAAF O=S(=O)(O)O[C@@H]1[C@@H](O[C@@H]2O[C@H]3CO[C@@H]([C@H]3O)[C@H]2O)[C@H](O)[C@@H](O)O[C@@H]1CO 2356309235 OGFGYTRGDDWUKC-KEZNEIPJSA-N 404.346 -4.525 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O 238748930 SCXMMKUKDINSDI-LVAICIBJSA-N 404.412 -2.577 0 1 HAAF CSCc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857534001 PCUHSZCTFUWPTA-WOUKDFQISA-N 406.446 -1.889 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@]12O 2356542011 LDBMLOLBWUOZGG-BIYSDKRTSA-N 404.368 -3.114 0 1 HAAF COC(=O)C[C@@H](C)C(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O 38321728 ZVFWDSLLUZMSDS-UCJGRUORSA-N 400.380 -1.047 0 1 HAAF biogenic,in-vitro CC[C@@H](CO[C@H]1O[C@H](CO[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356550996 WTSRJBCPXZKTRQ-WEFWLCCKSA-N 424.487 -1.663 0 1 HAAF CC(C)(O)[C@H](O)C[C@]1(O)C(=O)N([C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)c2ccccc21 2356651524 QKHYSKWZRQYVRE-JDLXQNEKSA-N 413.423 -2.457 0 1 HAAF N[C@H](CCCC(=O)N[C@@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@H]21)C(=O)O 14923334 RQPIYCBIFMMJEJ-YIUPMNOESA-N 416.412 -2.627 0 1 HAAF biogenic NC(=O)c1ccc[n+](C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@@H]2C(N)=O)c1 28474449 FSAYHTLBOLVRDW-MELADBBJSA-O 417.446 -2.687 0 1 HAAF COC(=O)C1=CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]12 2356575863 DKSFGHQZRXXSTP-PFVOQSHKSA-N 402.352 -2.137 0 1 HAAF CCCC(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356720209 TYUFEZZYZPMRID-ONKXZDJLSA-N 412.388 -4.046 0 1 HAAF CNC(=O)CCCCO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1 13650146 MZXVATPDYBSKIH-ZLVOJWICSA-N 422.431 -2.931 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@]1(O)C[C@@H](O)[C@@]2(C)O 38321769 VFYACENSDOLJGQ-MFOMSHGJSA-N 422.383 -3.921 0 1 HAAF biogenic,in-vitro O=P(O)(O)OC[C@@H]1O[C@H](O)C[C@@H]1O[P@](=O)(O)OC[C@@H]1O[C@@H](O)C[C@H]1O 2356740349 AIWQBXPYUYKLDD-RVPZKGPBSA-N 410.205 -1.827 0 1 HAAF Nc1ccn([C@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@@H]2O)c(=O)n1 12504415 ZWIADYZPOWUWEW-GVYWOMJSSA-N 403.177 -2.329 0 1 HAAF in-vitro C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 135987098 MOCRJZJERZYGCF-YDPNNYOCSA-N 406.472 -1.732 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H](O)[C@@]34[C@H]5C[C@@H](C(C)(C)C)[C@@]36[C@H](OC(=O)[C@@H]6O)O[C@]4(C(=O)O5)[C@@]12O 169357307 SQOJOAFXDQDRGF-VKODBUBDSA-N 424.402 -1.370 0 1 HAAF O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)OCC1=Cc2ccccc2S1(=O)=O 263620223 ACIPDYFLRJNHEW-DIAXPKBXSA-N 401.393 -1.659 0 1 HAAF in-vitro O=c1nc(O)c(CCC[C@H](O)CO)cn1[C@@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 2356342893 DZWBOVINFCXKSX-YFKTTZPYSA-N 410.316 -1.618 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@]2(C)O 2356431548 VIXATJMNFXMPDC-AESKPNRLSA-N 406.384 -3.036 0 1 HAAF CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@H]1O 2356490602 OTCHVZAGSBMQAL-YGTQTEFDSA-N 417.411 -1.725 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356599164 PPIXDGFHKZNFOD-FDFZMJKNSA-N 412.432 -3.327 0 1 HAAF NC=C(N)NCCCC[C@@H](O)CC(=O)N[C@H](O)C(=O)NCCCCNCCCN 2356647951 JBVZQDJNGFOSNX-RDTXWAMCSA-N 417.555 -2.517 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)cc1 14829585 DZMYOBBWRZTUTA-GGKNJYOYSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man C[C@H]1[C@@H](O)[C@H](O)[C@H](O)CN1Cc1ccccc1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 84635430 MVBRUDGWLYNOPB-PWRWTBIRSA-N 415.439 -2.848 0 1 HAAF O=C1CC[C@H](Cc2cc(O)c(O[C@@H]3O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]3O)c(O)c2)O1 95626092 ATYNVCXMADLPJQ-OEDKHLDMSA-N 400.336 -1.383 0 1 HAAF in-man CS(C)(CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 102164594 LLJHMLQEILJMOC-OPYVMVOTSA-N 414.488 -1.106 0 1 HAAF CC(C)C[C@H]1C(=O)N[C@H](CC(C)C)C(=O)N1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356421232 ZVZSSTYLWXWSDK-MDCITZLESA-N 404.460 -1.494 0 1 HAAF CC(=O)O[C@@]1(C)CC[C@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356726467 MHPCGYUNJSQGDG-BUPCBYMWSA-N 404.412 -1.474 0 1 HAAF CC(=O)O[C@H]1[C@@H](O[C@H]2O[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H]2O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]1O 238731057 GADQYBXXXSDVFH-PKXCRZHFSA-N 412.300 -4.642 0 1 HAAF CC(=O)OC[C@H]1O[C@H](OC[C@H](O)CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O 238757967 QQMKBKAGKNLWMX-KPLDXPABSA-N 422.383 -1.561 0 1 HAAF COc1cc(C(=O)O)ccc1O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 238773360 YHVRMRPNSSPKAB-GHMOJZLGSA-N 410.353 -1.601 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1CCO[C@]2(C)O 2356655071 WHAPPFLYHSDHAN-VSIRDENXSA-N 406.384 -2.423 0 1 HAAF CC[C@@H]1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC=C(C(=O)O)[C@H]1CC(=O)OC 2356776725 JMQHOGABGMTPGK-LXQUMHQKSA-N 404.412 -1.208 0 1 HAAF Cc1cn([C@@H]2C[C@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@@H](CO)O2)c(=O)[nH]c1=O 31895663 MFFOUDZYFVDVOU-SCRDCRAPSA-N 417.382 -2.144 0 1 HAAF OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](COCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356487708 JDGKZYSACWLQKT-KRUNOJDQSA-N 416.423 -2.491 0 1 HAAF CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@@H]2SC1 3871995 HOKIDJSKDBPKTQ-PXWWUCIGSA-N 415.424 -1.130 0 3 HAAF world OC[C@@H]1O[C@H](N2CCN([C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)CC2)[C@H](O)[C@@H](O)[C@H]1O 254110888 AAHLQODCOIMLFS-ZKAYDKGJSA-N 410.420 -5.796 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(Cl)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235210 HHHGWGSCGDFMMI-CXECBNLGSA-N 415.830 -1.270 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1C(=O)OC 2356684521 RJEDKBHZKYALIU-YIOIXOMASA-N 420.367 -3.076 0 1 HAAF COc1cc(/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O)cc(OC)c1O 64624823 XQQYFEOTBHJJDK-GRRSETRSSA-N 416.335 -1.414 0 1 HAAF in-vitro CNCC[C@@H](CC(=O)N[C@H]1C=C[C@H](n2ccc(N)nc2=O)O[C@@H]1C(=O)O)NC(=N)N 238754001 VLSNCRSMCQBBPG-ZNIXKSQXSA-N 422.446 -2.300 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257409205 DSDFXGQRZAFFQA-DOMXDPRASA-N 416.379 -2.859 0 1 HAAF endogenous,in-man CC(=O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@@]2(O)[C@H]34)C(=O)N5 2356670029 XQCRMAWEEAMNOR-UTDCXCSHSA-N 400.387 -1.016 0 1 HAAF CC(=O)Cc1cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc2oc(CO)cc(=O)c12 2356711256 QIMCRYYCUHMHMQ-LZBKUMLDSA-N 410.375 -1.405 0 1 HAAF [BH3-][P@@](=O)(OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)OP(=O)(O)O 170168163 PABGEACFCMYPQE-APIOZJFQSA-N 424.032 -2.373 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)C[C@]2(O)CO 238741356 TZVOANVHPCUBIU-IRDZEPHTSA-N 422.383 -4.064 0 1 HAAF CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=N)N)[C@@H]1O 13913133 USKOLTMETOXNII-UUIJZJDISA-N 416.479 -1.973 0 1 HAAF Cc1cn([C@H]2C[C@@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 169699759 UGKBLVLMJJXYLY-KLHDSHLOSA-N 404.423 -1.115 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H]1O 255219184 IBOBEERRSJXQNF-RMASWLJXSA-N 414.360 -5.656 0 1 HAAF N[C@@H](Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587222865 UUFPSRCBGFFWHC-WPRPVWTQSA-N 413.412 -1.486 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO 587619691 YPWPFLZDPKXXRS-SWSVZQPISA-N 422.386 -1.479 0 1 HAAF O=C(O)[C@@]1(O)C[C@H](O)[C@H](O)[C@@H]([C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O1 2356710420 DENGNXBHVRIEBZ-XYKXXFBWSA-N 400.333 -5.552 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@@H]1O 257528868 RBNRMSRJWILJMU-GNLXUJFWSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@@]1(CO)CO[C@@H](OC[C@H]2O[C@H](Oc3c(O)occc3=O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356537360 PPBQLEKMVJABAT-SJJAXCNTSA-N 420.367 -2.736 0 1 HAAF Cn1nc(S(N)(=O)=O)s/c1=N/S(=O)(=O)c1ccc(C(=O)OCCO)cc1 13537555 XQANRQYTWBLZNV-RVDMUPIBSA-N 422.466 -1.432 0 1 HAAF CCNC(=O)[C@H]1O[C@H](n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O 49018892 VCLULSDZDBVIMM-AHXJXLJNSA-N 421.458 -1.674 0 1 HAAF NC(=S)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857564422 OLHQWZZXQDNNEE-BBBNYMBOSA-N 405.418 -3.118 0 1 HAAF CC[C@H](O)c1ccc(O[C@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c1 2356505742 OGVIBZYVGMXVLC-POHHBUJWSA-N 418.439 -1.305 0 1 HAAF NS(=O)(=O)c1nnc(NC(=O)CCNC(=O)CN(CC(=O)O)CC(=O)O)s1 13472913 TUIZMJVOYKYPOW-UHFFFAOYSA-N 424.417 -2.899 0 1 HAAF Nc1nc(=O)n([C@H]2C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O2)cc1CO 34965720 RQKDPSTWKKMBPM-BIIVOSGPSA-N 417.204 -1.808 0 1 HAAF in-vitro COc1cc(CCCO)ccc1O[C@H](CO)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257476676 LRRKTNFBBSNZEN-LLZAJZRGSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man OC[C@H]1O[C@@H](n2cnc3c(N4CCN(c5ncccn5)CC4)ncnc32)[C@H](O)[C@@H]1O 1857754074 JQSPDMGFSSOQKR-LSCFUAHRSA-N 414.426 -1.446 0 1 HAAF NC(=O)CCC(=O)Nc1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@H](O)[C@@H]2O)c1N 2356313734 VDSCQGGPSPZSLA-VXCSJDDCSA-N 409.292 -2.602 0 1 HAAF C[C@H]1C[C@H](O)CC(C)(C)[C@]1(O)/C=C/[C@@H](CO)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 35456939 MOCRJZJERZYGCF-BBEBBNLLSA-N 406.472 -1.732 0 1 HAAF C/C=C1/[C@H](CC(=O)O)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 86030230 XSCVKBFEPYGZSL-DYWGZPJJSA-N 404.368 -1.747 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@H](C)C[C@@]2(C)O 2356431321 LKEDDJNDLLFHTN-NKCQALKYSA-N 404.412 -1.761 0 1 HAAF C[C@@H](CNCCCNc1nc(N)nc(N)n1)NCCCNc1nc(N)nc(N)n1 40802464 OMCWMHKRJODTLD-VIFPVBQESA-N 406.503 -1.743 0 1 HAAF N=C(N)NCCCNC(=O)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49017131 MMUJMWGAFLKRCJ-UUAIRXRESA-N 424.418 -3.479 0 1 HAAF CC(C)Oc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857561504 YTSOHAFQBZXVSL-HTVVRFAVSA-N 404.405 -1.965 0 1 HAAF OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@@H](O)CO[C@H]2OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O 2356614972 QTQBCCQSMXVWNI-RXJSEPQOSA-N 402.396 -2.534 0 1 HAAF OC[C@@H]1O[C@H](OCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1OC[C@@](O)(CO)[C@@H]1O 2356858970 TXMLRXCCKUXUSF-ZOBJDFHLSA-N 418.395 -3.438 0 1 HAAF C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)O)[C@@H](C)O 96095026 CUOMGDPDITUMIJ-HZZBMVKVSA-N 424.454 -2.512 0 1 HAAF in-vitro OC[C@@H]1O[C@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827411 FUDXMJHOJWYSEJ-NAIHZJSMSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COc1ccc(C=CC(=O)OC[C@@H](O)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356673271 LENQPFHDGQUMMQ-AFKJYXRMSA-N 414.407 -1.571 0 1 HAAF N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)O 39805667 LTLBNCDNXQCOLB-UBHSHLNASA-N 406.395 -1.441 0 1 HAAF in-vitro O=C1CCC=C[C@@]1(O)C(=O)OCc1ccccc1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95635622 CZDNLUMNELLDDD-BIPCAJJSSA-N 424.402 -1.441 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@H](O)[C@]12O 1857624002 LGTHGFVYOAZGBN-PMHWPKPTSA-N 422.383 -4.065 0 1 HAAF C[C@@H]1[C@H](O)[C@H](O)[C@@H]2[C@]3(C)[C@H](O)[C@H](O)C[C@](C)(O)[C@@H]3C[C@@H]3OC(=O)[C@H](O)[C@@]1(O)[C@]32C 2356348700 BILZREJNQHDKIP-OAOFNQAQSA-N 416.467 -2.100 0 1 HAAF COc1ccc(C[C@H](NC(=O)[C@]2(O)C[C@H](O)[C@H](O)[C@@H](NC(C)=O)C2)C(N)=O)cc1 6293778 IRSWYQVPCMHTQR-XHWCBRGXSA-N 409.439 -2.041 0 1 HAAF biogenic O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1I 84671507 NKQVRMXGIOZKRJ-XSEHCYKFSA-N 400.125 -2.886 0 1 HAAF in-vitro C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@H](OC1=O)[C@@]35[C@H]2O 261125637 KDKROYXEHCYLJQ-BBXLAFBPSA-N 424.402 -1.514 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@@]5(O)C(=O)OC[C@@]34[C@@H]5[C@]2(C)[C@H](O)[C@@H](O)C1 2356337256 WTELTUSRXDOCFZ-JUYOQYOTSA-N 410.419 -1.604 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C 2356540052 KHKJDBORKVAPOM-HXBVCZMASA-N 404.412 -1.761 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H]3[C@@H]2[C@H]1[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@@H]3O1 2356593370 IMYNUOFRENGSJB-YVNDQKPWSA-N 414.363 -2.200 0 1 HAAF N=c1nc(O)c2nc([C@@H](O)[C@H](O)CO[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cnc2[nH]1 2356680214 ZOUNAJWXLVYCLF-MICJWJSNSA-N 415.359 -4.251 0 1 HAAF O=c1[nH]c(=O)c2nc(-c3ccc(O)cc3)c(=O)n(C[C@H](O)[C@@H](O)[C@@H](O)CO)c2[nH]1 15274298 TXDRHIOQUDLCPV-OUJBWJOFSA-N 406.351 -2.779 0 1 HAAF biogenic CC(=O)N[C@@H]1[C@@H](N(CCCCN)C(=N)N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 49803486 WYYAQMPTVYCKPG-NRFQWKTPSA-N 403.436 -3.125 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N1 587824674 CKJASRCTTCTDJF-LRWHUDCESA-N 424.263 -1.040 0 1 HAAF CC(=O)OC1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C)OC(=O)C[C@@H]12 2356444658 CZNFJYHDUOEVJW-MSZULAEUSA-N 404.368 -1.869 0 1 HAAF CO[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356681628 AKEZYQDNPMFFCO-LSHWXRCHSA-N 416.423 -1.878 0 1 HAAF Cc1cn([C@H]2C[C@H](O)[C@@H](CNCc3cnc(N4CCOCC4)nc3)O2)c(=O)[nH]c1=O 61922287 GYNGLZPXZNWYAT-ARFHVFGLSA-N 418.454 -1.090 0 3 HAAF CC(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N(C)C 1911584292 CVKFBMDIFQZTBS-JYJNAYRXSA-N 415.535 -1.284 0 1 HAAF CCOC(=O)Cn1cc(CN2[C@@H](C(=O)OC)CN(C3CC3)CCS2(=O)=O)nn1 96019697 JLJMTHMNNPRRQS-CQSZACIVSA-N 415.472 -1.007 0 3 HAAF CCNC[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27563215 WOBQDQALMHUJNJ-OUQNRHAVSA-N 403.388 -3.771 0 1 HAAF CC(=O)N[C@H]1[C@H](O)[C@H](O)[C@H](C(=O)O)O[C@H]1O[C@@H]1[C@@H](NC(C)=O)[C@@H](O)O[C@H](C)[C@H]1O 64633712 XYZHKJQHXUZGSK-HEMCQACYSA-N 422.387 -3.990 0 1 HAAF in-vitro O=C(/C=C\c1ccc(O)cc1)OC[C@@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 95914793 PADHSFRQMFRWLS-XCFXQMNXSA-N 400.380 -1.874 0 1 HAAF biogenic,in-vitro Oc1ccccc1CO[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356518974 JDCZPTGZKIDCQI-ACZZKCBCSA-N 418.395 -2.828 0 1 HAAF CCOC(=O)COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12 26570985 RWCJMEQNNGROFH-GXTWGEPZSA-N 405.381 -1.478 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)C[C@@H](O)[C@@]12O 38308769 MLTZHVBDDNOQNM-RNLJPYGHSA-N 406.384 -3.036 0 1 HAAF C[C@H](O)/C=C/[C@@]1(O)C(CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C[C@@H](O)CC1(C)C 95911671 NQVCHILBOKUZIP-CETIZJFISA-N 404.456 -1.812 0 1 HAAF biogenic,in-vitro O=C(c1cc(O)cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1)c1c(O)cc(O)cc1O 238755429 UZPRNHIJTLCPPQ-LQDZTQBFSA-N 424.358 -1.081 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@H](CO)[C@H]12 2356566304 YWYMRDWOSVYTFC-AEZDVNOFSA-N 416.423 -2.552 0 1 HAAF N=C(N)NCCC[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O 38192523 MJINRRBEMOLJAK-VWYCJHECSA-N 417.467 -2.765 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(=O)c1ccc(N)cc1 1857655618 UZCSUOHIFZYFTP-OVJXPFRRSA-N 409.395 -2.047 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85911521 LRRKTNFBBSNZEN-JUGSLNMQSA-N 418.439 -1.824 0 1 HAAF in-man Nc1ccn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)N[C@@H](CC(=O)O)C(=O)O)O2)c(=O)n1 95560227 PGJLTPOKCMHNIQ-QHOPCYEYSA-N 422.287 -1.892 0 1 HAAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(=O)N4CCOCC4)[C@H](O)[C@H]3O2)cn1 2356293129 CGZPXYMUZQXMPB-HITLURFISA-N 423.470 -1.246 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O 2356437604 ZMVYDQYHQHSHAJ-UXOFWJITSA-N 418.395 -2.577 0 1 HAAF CC(=O)OCC1=CC[C@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356504151 GJCLXUNGVGZROH-MMVGMSCRSA-N 416.379 -1.747 0 1 HAAF CCCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H](O)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606328 LMSOOPJUZDCJRQ-UMGFKQSHSA-N 411.448 -4.269 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@@]2(O)[C@@H]34)C(=O)N5 2356670028 XQCRMAWEEAMNOR-OOLLXXHPSA-N 400.387 -1.016 0 1 HAAF CC(=O)O[C@@H]1[C@@H](OCC2=COC[C@H]3[C@@H]2C[C@@H](O)[C@H]3CO)O[C@H](CO)[C@H](O)[C@H]1O 2356688804 MXOBDDWKFHUARP-DIQMGBBLSA-N 404.412 -2.107 0 1 HAAF CC(C)C[C@H](NC(=O)C1=C[C@H](NC(=O)CSCC(=O)O)[C@H](O)[C@H](O)C1)C(N)=O 36355447 IMOZYBHUDFVJQE-OHTBPHCPSA-N 417.484 -1.643 0 1 HAAF biogenic CCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC[C@H](O)[C@H](O)CO)O[C@@H]1COC(C)=O 2356348696 BHPCCHVIWJGPMD-IHDYTZLYSA-N 424.443 -1.781 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)[C@@H]2CSCN2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430747 FGOJJMNUGDJHDF-GRYCIOLGSA-N 419.529 -2.484 0 1 HAAF biogenic CC(C)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 2356646951 VLRGBWXSYFMTKJ-OZPCZYPFSA-N 412.432 -3.327 0 1 HAAF CC[C@@H](C)[C@@H](C(=O)OC)[C@H](O)C(=O)N[C@@H]1C[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C(=O)O 13375806 GZUZMJQLRANFIY-BGBUGSAUSA-N 401.460 -1.006 0 1 HAAF in-vitro OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827410 FUDXMJHOJWYSEJ-VRNMUWKDSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)N(C)C1=O 26189590 JMERPGMNJOQQDF-UPJWGTAASA-N 419.442 -1.804 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CCO[C@@]2(C)O 238740636 WHAPPFLYHSDHAN-AYDWLWLASA-N 406.384 -2.423 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238777284 LSQQDUHRCLZVLW-FQXXIRCGSA-N 418.395 -2.826 0 1 HAAF C[C@]1(O)[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@@]2(O)C[C@H]1O 2356384131 LHBCCROHKSSFLG-SCYAPHPDSA-N 408.356 -4.009 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356554995 DZMYOBBWRZTUTA-SPPOEXJDSA-N 414.407 -2.028 0 1 HAAF N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)O 587219327 KGMISGOXBQEIHG-WCBMZHEXSA-N 413.412 -1.486 0 1 HAAF CCCCN1[C@@H](CO)[C@H](O)[C@H](O)[C@H](O)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606327 LMSOOPJUZDCJRQ-MAEZIVQMSA-N 411.448 -4.269 0 1 HAAF CC(=O)OC[C@@]12C[C@H]1[C@H](O)[C@@H]1C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356683097 HDMCWFHTAHTHFU-IYZJEULASA-N 402.396 -2.151 0 1 HAAF COC(=O)C1=C(C)O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@H]2C 2356382269 UTICNCXLSLMBGF-VJORNFCQSA-N 404.412 -1.761 0 1 HAAF CC[C@H](O)CC[C@H](C)O[C@H]1O[C@H](COC(=O)[C@](O)(CC)[C@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O 2356583518 WCDGAIFTRLPECT-KSGLZHGVSA-N 424.487 -1.185 0 1 HAAF C/C=C1/[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238788128 KYVUMEGNMQDSHO-LATQFRESSA-N 418.395 -1.658 0 1 HAAF O=C1NC(=O)[C@@H]2C[C@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@@H]2N1 618014428 YHXFGKZEEPXONW-OUCADQQQSA-N 405.440 -1.170 0 1 HAAF CCCCCC(=O)O[C@H]1[C@H](O)[C@@H](OC[C@@H](O)[C@H](O)CO)O[C@H](COC(C)=O)[C@@H]1O 2356344514 BGLMHEUNVVQFLX-VKKGXVPBSA-N 424.443 -1.781 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1C=C[C@]2(CO)OC 2356422200 JBBLCGRIZVRWJC-VGDFKKCNSA-N 418.395 -2.604 0 1 HAAF CCOC(=O)CNC(=O)[C@@H](CSC(=O)N(C)O)NC(=O)CC[C@@H](N)C(=O)O 5729312 GXEXZPUICLZJNX-RKDXNWHRSA-N 408.433 -1.483 0 1 HAAF CCOC(=O)CNC(=O)[C@H](CSC(=O)N(C)O)NC(=O)CC[C@@H](N)C(=O)O 5729315 GXEXZPUICLZJNX-BDAKNGLRSA-N 408.433 -1.483 0 1 HAAF O=C(CC[C@@H](O)Cc1cc(O)cc(O)c1)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 95626064 COBSRKLPDWFDCG-UYQMYPNPSA-N 402.352 -1.783 0 1 HAAF in-man C[C@@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O 100782593 SGUOENJPMRQEMJ-KYLTVLQXSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man CC(=O)OC[C@@]1(O)CC[C@@H]2C(C)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 238778191 MEGLDKHMUVYZGX-HXTVWJEISA-N 404.412 -1.617 0 1 HAAF N=c1nc(O)c2ncn(CCCn3cc(Cn4cnc5c(O)nc(=N)[nH]c54)nn3)c2[nH]1 473113124 HRSLAHJDIVKDMR-UHFFFAOYSA-N 423.401 -1.068 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cccnc2)[C@@H](C(=O)N[C@H]2CCCNC2=O)C1 5414683 KUBCKLDOIZXJJG-LSDHHAIUSA-N 403.439 -1.224 0 1 HAAF biogenic Nc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O 71318841 AFVKBBGGAGNWEE-XVFCMESISA-N 403.177 -2.329 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H](C(=O)O)CC[C@@H]12 2356456808 RLCWEUBIDIWNEA-ISXZHIQNSA-N 404.368 -2.057 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@@]2(O)CO 2356665213 YEOAKYNPUWNNOB-FQDIGOKISA-N 408.356 -4.152 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 2356567032 DWYFWLYCTOAXKY-LVXSJJHZSA-N 416.423 -2.491 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2[C@@H]3[C@]1(O)O[C@]14C(=O)N(C)C5=CC=C[C@H](C[C@H](C2(C)C)[C@]31O)[C@@H]54 2356717094 GUZVDQAQJRGKEH-BFXKPPRSSA-N 416.430 -1.324 0 1 HAAF N[C@H]1[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 27989464 RHUZQIJSAKZPDO-ZVRAWXRESA-N 419.109 -3.517 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 36272684 XXABJEPVVSRKKB-AYIJCJCZSA-N 407.408 -1.147 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)CO[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)[C@@H]2O)[C@H](O)[C@@H]1O 257419982 FUDXMJHOJWYSEJ-FXKZFAFLSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COc1cc([C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)CO)cc(OC)c1O 2356339934 BWTUJFUIJMARGG-IADZPAHUSA-N 406.384 -2.380 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1C=C[C@]2(O)C(=O)O 2356540957 MLZKYGRNLPVMHX-MFJWLABISA-N 418.351 -3.166 0 1 HAAF CCCC[C@H](NC)C(=O)N[C@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c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n1c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@H](O)[C@H](O)[C@@H]3O)c2n(C)c1=O 2356509172 GGZXXCLVVREIPK-HTBHEZIPSA-N 422.287 -3.477 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356605815 SMUMBCREXHTKFN-FRVMMKTESA-N 416.423 -2.145 0 1 HAAF C[C@@H]1O[C@]2(C[C@@H]3N4C(=O)[C@@]5(CO)S[C@@]4(C[C@@]3(O)[C@H]2O)C(=O)N5C)C(=O)C1(C)C 2356693013 ULBJGCQGFOPTBQ-OOORFQLMSA-N 412.464 -1.561 0 1 HAAF CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@@H]([C@H](C)N)CC[C@H]2N)[C@@H](N)[C@H]1O 169346098 BIDUPMYXGFNAEJ-RQFPYSEKSA-N 405.496 -3.585 0 1 HAAF CO[C@H]1[C@@H](O)[C@H](N)[C@@H](O[C@H]2O[C@H]([C@@H](C)N)CC[C@H]2N)[C@H](O)[C@@H]1N(C)C(=O)CN 3938637 BIDUPMYXGFNAEJ-BHVGJSIJSA-N 405.496 -3.585 0 1 HAAF in-man COC(=O)C1=CC[C@@H]2C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H]12 31794227 DKSFGHQZRXXSTP-WPXLDADXSA-N 402.352 -2.137 0 1 HAAF C[C@@H]1C(=O)O[C@H]2[C@@H]1[C@]13O[C@H]4OC(=O)[C@@H](O)[C@@]45[C@@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@]53[C@H]2O 104351664 KDKROYXEHCYLJQ-ZCKTXHEOSA-N 424.402 -1.514 0 1 HAAF in-man OC[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378036 TYALKKBMRDZWLW-QHHAAPECSA-N 418.395 -3.311 0 1 HAAF Cc1cc(O[C@@H]2OC[C@](O)(CO)[C@H]2O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356579666 HMITWBGYLIMQAJ-LDFUESSSSA-N 418.395 -3.007 0 1 HAAF O=C(c1cc(O)cc(O)c1)c1c(O)cc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1O 2356644100 SILOTFUKVQVHLR-HWDJUHOGSA-N 424.358 -1.081 0 1 HAAF C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CC(N)=O)[C@@H](C)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O 45374491 ZUDZSHCRCNJTRC-SZRYYMEFSA-N 404.424 -5.090 0 1 HAAF NC(=O)CSc1nn([C@H]2C[C@H](O)[C@@H](COS(N)(=O)=O)O2)c2ncnc(N)c12 1857600155 UYCRIBDUQLTLLK-SHYZEUOFSA-N 419.445 -2.146 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cncnc2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 25430337 QBVLNTKAVSPZLD-KBPBESRZSA-N 404.427 -1.829 0 1 HAAF biogenic O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1F 28758952 DQKWTOBKSULEKU-WPRNADSXSA-N 422.084 -2.506 0 1 HAAF Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895597 IAKYOCQVAMMWCY-OUCADQQQSA-N 417.382 -2.317 0 1 HAAF CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@H](C)S(C)(=O)=O)[C@H]2SC1 169342156 PWNXWSXAJLESSK-XVGMESBDSA-N 406.438 -1.279 0 1 HAAF Cc1cc(O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356579667 HMITWBGYLIMQAJ-ZLULVEPSSA-N 418.395 -3.007 0 1 HAAF CC=C1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)O)[C@@H]1CC(=O)OC 2356599162 PNLZHIXZJTYUDR-SRRGIFPFSA-N 404.368 -1.747 0 1 HAAF Nc1nc2c(c(=O)[nH]1)[n+]1c(n2[C@@H]2O[C@@H]3CO[P@](=O)(O)O[C@H]3[C@H]2O)SCCC1 28711410 UCDAJBFPIUYSKA-IOSLPCCCSA-O 418.348 -1.136 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]21C 2356434778 DTHRMEYEJGYKKG-YXMSDIHZSA-N 404.412 -1.618 0 1 HAAF Nc1nc2c(ncn2[C@@H]2O[C@H](CNS(=O)(=O)N3CCCC3)[C@@H](O)[C@H]2O)c(=O)[n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n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356403985 ZPDFNEXYNUEAKH-GXMDBPQCSA-N 405.360 -4.915 0 1 HAAF CCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84617945 NZNIOEHRONPWPV-IDTAVKCVSA-N 402.433 -1.122 0 1 HAAF CC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](N)[C@H](OC(C)=O)[C@@H]1OC(C)=O 263606850 RIOXASLXDGZHON-PFFFPCNUSA-N 417.346 -1.261 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C(=O)OC)CC[C@@H]12 2356465239 KVSFLKZCIIGPEC-GGXIWPTDSA-N 418.395 -1.969 0 1 HAAF COc1cc(CCCO)ccc1O[C@H](CO)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356561886 LRRKTNFBBSNZEN-QTYFOHBRSA-N 418.439 -1.824 0 1 HAAF COC(=O)[C@@H]1[C@H]2OC[C@]3(O)C=C[C@@H]1[C@@H]3[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)O2 2356689776 YFEOPJWHUMIDGW-XOWPILHMSA-N 404.368 -3.162 0 1 HAAF CC(C)[C@H](C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H]1O 2356870743 XUGDTGJBUKGWNF-RBAWBZNTSA-N 410.416 -2.915 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1CC[C@H]2C(=O)O 2356456810 RLCWEUBIDIWNEA-OYXVPDAGSA-N 404.368 -2.057 0 1 HAAF C[C@@H]1[C@H](OS(=O)(=O)O)C[C@@H]2C[C@H]([C@H](O)c3cc(O)nc(O)n3)N[C@H]3NC[C@@H]1N23 2356834198 KMDOTOMOSCRTQE-HYVHSKIRSA-N 417.444 -1.563 0 1 HAAF C[C@@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587825933 CKJASRCTTCTDJF-LIMYMGCZSA-N 424.263 -1.040 0 1 HAAF C[C@H]1O[C@@H](O[C@@H]2[C@@H](OCc3ccccc3)O[C@H](CO)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356478239 WMYNFWZLMQEVTL-DYBOPTDKSA-N 416.423 -2.145 0 1 HAAF CC(C)C[C@H](N)C(=O)N[C@H](Cc1cnc[nH]1)C(=O)N[C@H](CCCNC(=N)N)C(=O)O 2356496488 VZBIUJURDLFFOE-BFHYXJOUSA-N 424.506 -1.357 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356335660 CMNGMGGJQXLNNS-GJFMFGGQSA-N 410.460 -1.765 0 1 HAAF COc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356731322 IRQXUICHPFAQII-DZEWJZRGSA-N 418.395 -2.661 0 1 HAAF COC(=O)c1ccc2c(c1O)C(=O)[C@H]1[C@@](C)(O)[C@H]3OC(=O)C(=O)N[C@]1(O2)[C@]3(C)O 238785827 GPGWJDITQCQEAW-WUWGZROLSA-N 407.331 -1.376 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 257415035 FHLVHZWPBBNFQR-JWEAPKGBSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@H](C=C[C@]1(O)[C@@]2(C)CO[C@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356454148 AQDQRSAVDNFBEA-ROPUDTHXSA-N 402.440 -1.363 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2CCC(=O)[C@@]12C(=O)O 2356616447 XJRFLCMOTHIFMB-JLNYRVKHSA-N 418.351 -2.734 0 1 HAAF CC(C)[C@H](NCCC1OCC(C)(C)CO1)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 209652771 UFHLNIYKVUMLIV-AMSNRHAMSA-N 420.503 -1.694 0 1 HAAF NCCCCC(=O)NCC(=O)NC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O 27902899 GWSJWPGRMYRGFA-CYBMUJFWSA-N 400.457 -1.221 0 1 HAAF Nc1nc(=O)c2c(CN[C@H]3C=C[C@H](O)[C@@H]3O)cn([C@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1 40165380 QQXQGKSPIMGUIZ-OUWIPKMASA-N 409.399 -3.332 0 1 HAAF endogenous,in-man CC[C@@H](C)Nc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84596701 SUDWCMCLJCFGFM-BAYCTPFLSA-N 402.433 -1.124 0 1 HAAF Cc1c(CCO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)cc2c1C(=O)[C@H](C)[C@H]2O 2356485572 LRNTYOVTZADMMX-WPNLHDCKSA-N 412.435 -1.288 0 1 HAAF O=C(C=Cc1ccc(O)cc1)OC[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356516211 PADHSFRQMFRWLS-ZACOSQSXSA-N 400.380 -1.874 0 1 HAAF CC=C(C)C(=O)OC[C@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356661396 ZMIQCOSRPMWYLS-ZOCXMYKZSA-N 424.399 -3.880 0 1 HAAF C[C@@H]1C(=O)O[C@]2(C(=O)O[C@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CO[C@]32O)[C@H]1C 2356768588 SWEUUIPGSUQSBW-HXHDWLADSA-N 420.367 -3.617 0 1 HAAF Cc1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)n(CC(=O)OCc2ccccc2)c1=O 49021595 YKZYQSWMHIEZQG-IIVZCXTMSA-N 406.391 -1.327 0 1 HAAF Cc1cn([C@@H]2C=C[C@@H](COC(=O)C[C@]3(CC(=O)O)OCOC3=O)O2)c(=O)[nH]c1=O 58666245 RFYXRHGCAAWGTH-DINDLPBHSA-N 410.335 -1.024 0 1 HAAF C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CC[S@@](C)(=O)=NP(=O)(O)O)C(=O)O 138698525 BLHBHYHQDXRTCR-KGONQNTNSA-N 402.366 -2.012 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238753662 DSDFXGQRZAFFQA-ZCLRWAROSA-N 416.379 -2.859 0 1 HAAF CSCC[C@H](NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)O 39833363 ZXGLLNZQSBLQLT-SRVKXCTJSA-N 405.521 -1.485 0 1 HAAF biogenic CN1C(=O)C[C@@H](SC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)C1=O 96284928 IKWHALXEHZWPEC-BIIVOSGPSA-N 405.385 -1.453 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O 257415036 FHLVHZWPBBNFQR-SKZWHEJRSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 2356429827 JDYPLWLMGOKQLK-DBHZAYPGSA-N 418.395 -1.668 0 1 HAAF N[C@H](CSC(=O)Nc1ccccc1)C(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356538475 FRNMQWSWCDBITJ-GPVWGEJLSA-N 402.425 -1.378 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2CO[C@H](OC)C[C@@H]12 2356716133 DGNXCLIPLOECFN-XYURVNLKSA-N 406.384 -1.547 0 1 HAAF CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 66259886 XPAUCTZKSHWPRS-POVHNGHTSA-N 418.417 -4.691 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(=O)CCCC(=O)O 139372345 DLDXETGOWJUNDZ-NIQAVCIQSA-N 404.372 -2.688 0 1 HAAF in-vitro O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356472417 WQQSIXKPRAUZJL-YVLHYAFWSA-N 422.276 -5.279 0 1 HAAF O=C1CCC=C[C@]1(O)C(=O)OCc1ccccc1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356520178 CZDNLUMNELLDDD-SUQNTFLGSA-N 424.402 -1.441 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356682471 MJAVHXIMPOPFJG-OTVYUZCLSA-N 404.368 -2.964 0 1 HAAF C[C@@H](O)CNC(=O)C[C@H]1O[C@@H](CN(CCNC(=N)N)C(=N)N)[C@H]2OC(C)(C)O[C@@H]12 49112599 XXIZNFBGUQKUTA-SSYGJKRZSA-N 415.495 -2.160 0 1 HAAF OC[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 2356390259 VLAZYPZGDJXPDY-OQZIFESUSA-N 402.396 -2.534 0 1 HAAF COc1cc(O)c2c(c1O)O[C@@H](O)[C@@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2=O 2356406198 PQRKVWODCPXGQL-JIRVLUPFSA-N 404.324 -2.815 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356437202 KPUSIQDGYABESP-RLJCQIFCSA-N 420.411 -2.503 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CO)=CC[C@]12O 2356542015 LDBMLOLBWUOZGG-RTGJHNQTSA-N 404.368 -3.114 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1CC(=O)[C@]2(O)CO 2356810507 AYKQDKNGVRPOSI-ZBZILQCYSA-N 406.340 -3.944 0 1 HAAF Cc1cn(CCOCCOC(=O)N[C@@H](CCCNC(N)=O)C(=O)O)c(=O)[nH]c1=O 5845680 GHBRVOMRIIEMGZ-NSHDSACASA-N 415.403 -1.510 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@@H](OCc2ccccc2)[C@@H](O)[C@@H]1O 13376361 WOGBNISMMIOPAZ-GHSHVZDCSA-N 402.396 -2.534 0 1 HAAF in-man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biogenic CO[C@@]1(NC(=O)CCC[C@@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CO)CS[C@H]21 14589480 NLRQZPPGJODQAH-YIUPMNOESA-N 403.413 -1.726 0 1 HAAF in-vitro O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@]3(CO[P@@](=O)(O)OP(=O)(O)O)C[C@@H]23)c(=O)[nH]1 101063334 BFWUJFNKDUGYMX-KHWWSFOCSA-N 414.200 -1.954 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 257411979 DZMYOBBWRZTUTA-KPMSRAQISA-N 414.407 -2.028 0 1 HAAF endogenous,in-man NCC(=O)O[C@@H]1[C@@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 535385349 LPXHMYZVWBYXCR-JJNLEZRASA-N 404.276 -2.353 0 1 HAAF in-vitro O=C(NC[C@@H]1O[C@H](CO)[C@H](O)[C@H]1N1CCN(C2=CC=C[CH]N2)CC1)N1CCOCC1 2356319429 GFMJDHOSXWTKFN-NBMJBFSESA-N 422.506 -1.702 0 1 HAAF CCCCC[C@H](C)O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356335663 CMNGMGGJQXLNNS-ZZTPLTSMSA-N 410.460 -1.765 0 1 HAAF O=C(O)[C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)NC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O 2356610055 TZJJTXFPLXKCLO-ZPPIKOIESA-N 422.387 -5.027 0 1 HAAF OC[C@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O)CO[C@H]2OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O 2356614974 QTQBCCQSMXVWNI-YACZXZKXSA-N 402.396 -2.534 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)C2CCNCC2)[C@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430750 HBROVKAIABNXPC-KGLIPLIRSA-N 415.516 -2.147 0 1 HAAF biogenic OC[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@H](O[C@@H]3CO[C@@H](O)[C@@H](O)[C@@H]3O)OC[C@H]2O)[C@H](O)[C@@H]1O 255210389 FUDXMJHOJWYSEJ-YBOFTOHUSA-N 414.360 -5.656 0 1 HAAF Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3nc4ccccc4[nH]3)[C@@H](O)[C@H]2O)c(=O)n1 16052575 MMCWRTZSCVUETH-GAEVZRCVSA-N 400.395 -1.320 0 1 HAAF in-vitro COc1nc(N)c2ncn([C@@H]3O[C@H](CSCC[C@@H](N)C(=O)O)[C@@H](O)[C@H]3O)c2n1 62178601 VVADSJZSHIZJBJ-KWGHVAAJSA-N 414.444 -1.429 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO)N1 587828799 VJGXFLDVRZQQRX-ZYJHWGIRSA-N 424.263 -1.040 0 1 HAAF C[C@](O)(CO)[C@H](O)COC(=O)C=Cc1ccc(OC[C@](C)(O)[C@H](O)CO)c(O)c1 2356394707 GTNFLOUXEFGGSM-FPAYPSAMSA-N 416.423 -1.464 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14507243 LRRKTNFBBSNZEN-RLRCDIOTSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man CCOC(=O)[P@@](=O)(O)OC[C@H]1O[C@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O 48999668 MLOHEHQRAKHYLT-FCKMSMMTSA-N 419.287 -1.321 0 1 HAAF O[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 257445712 ILEPOIYJHJQWCK-HBHJJADHSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@H](O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@@]2(O)[C@@H]34)C(=O)N5C 2356568838 PQCKBAMPLOMUBD-PHGGRNIRSA-N 416.430 -1.200 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H]1OP(=O)(O)O 26750607 MMWCIQZXVOZEGG-VTJCEZEHSA-N 420.093 -3.484 0 1 HAAF COC(=O)[C@H](NC(=O)C1=C[C@H](NC(=O)COCC(=O)O)[C@H](O)[C@H](O)C1)C(C)C 36355444 LQKMEMWVDDAXTM-DRABBMOASA-N 402.400 -2.062 0 1 HAAF biogenic COc1cc([C@H](O)[C@@H](O)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(OC)c1O 95918854 AWSHGBLBAKCDSY-FPDPAFLCSA-N 406.384 -2.380 0 1 HAAF biogenic,in-vitro CC1=CCO[C@@H]1NC(=O)[C@H](O)C[C@H](NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O)C(=O)O 2356436574 QRYALAVQOARQPI-ZEXFCSGUSA-N 406.388 -4.000 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5C[C@H](C(C)(C)CO)[C@]36[C@H](OC(=O)[C@@H]6O)O[C@@]4(C(=O)O5)[C@]12O 2356624810 PMHYHZBGMYBWAJ-MMCGJUGDSA-N 424.402 -1.368 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](C(=O)N[C@H](Cc3ccccc3)C(=O)O)[C@@H](O)[C@H]2O)n1 199715564 JDTRTNCLTDWXKD-OYFAQSGBSA-N 405.367 -2.192 0 3 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@@H]1O[C@@H]1[C@]2(O)CO 255287067 ZHTGZWDWDCHEOX-YZNGAXDESA-N 420.367 -4.047 0 1 HAAF Cn1c(=O)ccn([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O 473089370 LIDPDKNJUKNKPQ-PEBGCTIMSA-N 416.216 -2.497 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@@]31O)O[C@H](C)C(C)(C)C2=O 2356484546 YSKRVHAAQGSYFK-GRJIUJBTSA-N 422.434 -1.267 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)c1 2356560768 DXWKSZVPTMMDPT-ZLULVEPSSA-N 418.395 -2.656 0 1 HAAF CC(C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@]2(CO)[C@@H](O)CCC(=O)[C@H]2C1 2356775993 SGQGOVXPGVVLHY-XNFMNYENSA-N 418.483 -1.300 0 1 HAAF COc1ccc(S(=O)(=O)N[C@H](CCC(=O)NC(N)=O)C(=O)NC(N)=O)cc1 1654738 BIFRJYHHRCARRT-SNVBAGLBSA-N 401.401 -1.488 0 1 HAAF OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O[C@@H]3CO[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827409 FUDXMJHOJWYSEJ-XIQZVLSDSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man O=Cc1cn([C@H]2O[C@H](CC(=O)N[C@H](CCC(=O)O)C(=O)O)[C@@H](O)[C@@H]2O)c(=O)[nH]1 238776006 WTBZLHVWKJDNBL-TWEFHWJZSA-N 401.328 -2.568 0 1 HAAF CC1=C[C@]2(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C[C@@H](CO)C(=O)[C@@H]2[C@](C)(O)C12CC2 238767419 WHTLSLQCKFRZNC-UKNDVWRISA-N 414.451 -1.770 0 1 HAAF CSCCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cc(C)c(=O)[nH]c1=O 58638612 JQQIRBYIPIMLTK-DNRKLUKYSA-N 412.357 -1.039 0 1 HAAF in-vitro C[S@@](=O)c1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@]4(COP(=O)(O)O)C[C@H]34)c2n1 103109939 RMRRMPNKZOUNCK-GLHVTIFBSA-N 419.356 -1.462 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)OC[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 195497849 PADHSFRQMFRWLS-KJAHCQCUSA-N 400.380 -1.874 0 1 HAAF C[C@H](O)C=C[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356521271 QEBWOBFSNAGMNR-LGCZGPHGSA-N 404.456 -1.716 0 1 HAAF CC(=CC=CC[C@H](C)[C@@H](O)CC(=O)O)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356731336 JWAGJGCOOSEMAU-OMTRHMITSA-N 404.412 -1.306 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)nc3)[C@@H](O)[C@H]2O)n1 61931286 DFMLKTWJXXMGHQ-BRXULGCHSA-N 420.430 -2.587 0 3 HAAF NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)c1NC(=S)NC(=O)c1ccccc1 5724216 MIUNBHQVJPEDHM-HMECCHRJSA-N 421.435 -1.280 0 1 HAAF CNC(=O)[C@H]1CCCN1C(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1 26267161 BMWCCOKHMVTKPS-YNEHKIRRSA-N 419.442 -1.886 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(Cl)nc3[n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n1cc(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)cn1 13818958 XMDXEWGDSLLCLI-LKGUXBDMSA-N 405.371 -1.944 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(CC(C)=O)=CC[C@@H]12 85644833 GQPCBYJMUDSCJZ-CZCCDAHISA-N 414.407 -1.242 0 1 HAAF biogenic,in-vitro CO[C@@H]1C=C(CO)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C(C(=O)O)[C@@H]12 238789612 UGWIKFJKKFUZBT-LPGRTNKPSA-N 404.368 -2.693 0 1 HAAF C[C@H](O)[C@]1(O)CC[C@@]2(O)[C@]3(O)C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]12C 2356669375 ZEWGTIKMRLEWOT-PDCRORCWSA-N 416.511 -1.212 0 1 HAAF CCCn1c(=O)n([C@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 27106915 TVJHDKPEPAEFOH-POYYFJLXSA-N 421.303 -2.393 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(C)=C[C@@H](O)[C@@]12C 238767619 GWPQGHMAOBGLQY-YUTCDFQGSA-N 402.396 -1.841 0 1 HAAF CC(=O)N(CC(=O)O)[C@H](C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O)C(=O)NCC(=O)O 253633980 LHQMUBQLSPLSIO-CEVQONDMSA-N 408.360 -4.279 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(C)c(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235412 LTCKZEHXGZBWPM-OXSFYUKISA-N 409.439 -1.307 0 1 HAAF CCSc1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857617035 MINMBWMRXQZRGS-JTFADIMSSA-N 406.446 -1.640 0 1 HAAF C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2[C@H](O)[C@H]3[C@@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@H]4CO 2356335124 TYUSHSMNEUZGNO-ZPGHSADGSA-N 410.419 -1.038 0 1 HAAF Nc1nc(N[C@@H](CC(=O)O)C(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1 40939540 CISNXJXEYKMYPX-LURJTMIESA-N 404.276 -1.100 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C(=O)O 142710208 APGVKQBABWXTCS-CDRAZSRTSA-N 420.367 -3.086 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)OC(=O)C[C@@H]12 238777825 QZCJFXSHMSZCLH-BWNYVJHISA-N 404.368 -2.216 0 1 HAAF CCO[C@@H]1[C@@H](O)[C@](C)(O)[C@H]2[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)OC=C[C@@]12O 255234349 MHYVWKYVYRJMMP-JIWMYWSCSA-N 408.400 -3.449 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@@H](O)[C@H](C)[C@@H]23)O[C@@H]1CO 2356519147 PMWSVNPTJDKITH-LGEJZEMOSA-N 418.395 -1.668 0 1 HAAF OCCCc1ccc(O[C@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356563273 VFCCWDAKRDTVDJ-XTENKEOPSA-N 404.412 -2.127 0 1 HAAF NC(=O)[C@H](Cc1cccs1)NC(=O)C1=C[C@H](NC(=O)[C@@H]2CCCN2)[C@@H](O)[C@H](O)C1 2356834484 KBOLWGWIVBOMOK-RFBLXINOSA-N 422.507 -1.451 0 1 HAAF Cc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)c1C 95600540 OSTYAAHREOCFRG-UIBIWLFHSA-N 417.422 -1.184 0 3 HAAF Cc1cc(C)n(CCNC(=O)[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)n1 199375741 SHHPIWAYWGGJIY-PFHKOEEOSA-N 402.415 -1.343 0 3 HAAF CO[C@@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(C)=O)CN(S(=O)(=O)O)C1=O 13368576 QYKSBKSLXVIAQF-WFASDCNBSA-N 401.397 -1.457 0 1 HAAF biogenic COC1=C(C)C(=O)[C@@]2(O)C(=C3CO[C@@H]4[C@@H]5C[C@@H]6[C@@H]7OCCN7[C@H]2[C@@H]([C@@H]6N5C)N34)C1=O 14164264 MXQLXPOMPYTJAB-PDAUUTCUSA-N 415.446 -1.173 0 1 HAAF Cc1cn([C@H]2C[C@H](N)[C@@H](CO[C@H]3[C@H](O)[C@@H](C(=O)O)O[C@H](O)[C@@H]3O)O2)c(=O)nc1O 100053987 RDVUSEMLHAXQRK-GERYFEQOSA-N 417.371 -3.219 0 1 HAAF world O=C(O)[C@H]1O[C@H](OP)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@H](P)[C@@H](O)[C@H]1O 100772453 FHVDTGUDJYJELY-BNKKHLMPSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man COc1ccc2c(c1OC)[C@@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C)[C@@H](C)C2 962633613 KFFIFDYZNYDZKO-YBQYPCBYSA-N 401.456 -1.796 0 1 HAAF CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@@H]1O 2356490600 OTCHVZAGSBMQAL-NREAFHBESA-N 417.411 -1.725 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)c1 2356560767 DXWKSZVPTMMDPT-LDFUESSSSA-N 418.395 -2.656 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1CCO[C@@]2(C)O 2356655069 WHAPPFLYHSDHAN-GQBJXYNTSA-N 406.384 -2.423 0 1 HAAF C[C@H](NC(=O)[C@H](N)CC[S@](C)(=O)=NP(=O)(O)O)C(=O)N[C@H](C)C(=O)O 83922467 BLHBHYHQDXRTCR-LBLNHVNUSA-N 402.366 -2.012 0 1 HAAF in-vitro OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 2356598933 GTHIFXIHABRYRL-DDAAXFNYSA-N 416.376 -6.020 0 1 HAAF NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)N1C(=O)NC[C@H]1C(=O)O 27750848 VXFHUOOOTICIKU-DCAQKATOSA-N 407.387 -2.015 0 1 HAAF CC(=O)O[C@H](C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)P(=O)(O)O 169339587 PGXWJSVOUFRTPL-ACRKESDDSA-N 403.288 -1.515 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 207183476 LABSPYBHMPDTEL-HKEUSBCWSA-N 422.276 -5.280 0 1 HAAF C[C@H](O)C=C[C@@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356521270 QEBWOBFSNAGMNR-ILBZJIRMSA-N 404.456 -1.716 0 1 HAAF COCCNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 84634893 GXDYGOIXRRTAKV-QYVSTXNMSA-N 404.405 -2.276 0 1 HAAF C[C@H](/C=C/[C@]1(O)[C@]2(C)CO[C@@]1(C)CC(=O)C2)O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238775889 AQDQRSAVDNFBEA-CTOQMUDASA-N 402.440 -1.363 0 1 HAAF C[C@H]1Cc2cc(Br)c(F)cc2[C@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587825931 CKJASRCTTCTDJF-CMISWZOGSA-N 424.263 -1.040 0 1 HAAF CC(=O)O[C@H]1[C@H](O)[C@@H](O)O[C@H](C(=O)O)[C@@H]1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 2356521625 GADQYBXXXSDVFH-QRKCSQLCSA-N 412.300 -4.642 0 1 HAAF CC=C(C)C(=O)O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356683055 FOTLPTROGZIOGT-HJQSTQSZSA-N 424.399 -3.880 0 1 HAAF O=P(O)(O)O[C@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O 12503563 MMWCIQZXVOZEGG-PYAXOIPSSA-N 420.093 -3.484 0 1 HAAF COC(=O)[C@H]1O[C@@H](n2cc(-c3ccc(S(N)(=O)=O)cc3)nn2)[C@H](O)[C@@H](O)[C@@H]1O 29134280 VAXAALWBFSAITH-PDWCTOEPSA-N 414.396 -2.254 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1CC(=O)O[C@@H]2C 238730659 QZCJFXSHMSZCLH-XICRDADBSA-N 404.368 -2.216 0 1 HAAF CC(=O)OC[C@@H]1O[C@H](n2cc(F)c(O)nc2=O)[C@H](N)[C@H](OC(C)=O)[C@H]1OC(C)=O 263606849 RIOXASLXDGZHON-KBRXKUPHSA-N 417.346 -1.261 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](n2cnc3c(N)ncnc32)[C@@H]1O 2356344140 ZUGFBNMTMJLCQZ-QRSDYGCRSA-N 418.303 -1.965 0 1 HAAF O=Cc1ccccc1O[C@@H]1O[C@@H](CO[C@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 14443280 DSDFXGQRZAFFQA-SPKOYXOOSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man CC(=O)N[C@@H]1[C@@H](N2CCC[C@@H](C(=O)O)C2)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84710939 VQZMCNUKRLVDRG-VDYPAOQASA-N 402.400 -2.262 0 1 HAAF Cc1cc2c(c(C)c1CC(O)O)C(=O)[C@H](C)[C@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466823 UGOPGIWAZTVIOJ-FHVRUOQDSA-N 412.435 -1.153 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCc2ccccc2)[C@@H](O)[C@H]1O 13660146 WOGBNISMMIOPAZ-AHKVKGIUSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@H]1[C@H](O)[C@]2(O)CO[C@@H]([C@@H]2O)N1O 14967086 JOBDOAKLPNMGKV-OEUXZGCXSA-N 413.383 -3.286 0 1 HAAF in-vitro OC[C@@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](OCc3ccccc3)[C@@H]2O)[C@H](O)[C@@H]1O 2356768401 PBKBHCJPMCMBCZ-YHFCMPBUSA-N 416.423 -2.491 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)O[C@H](O)C[C@@H]12 100887415 YTZSBJLNMIQROD-HNVVSXAGSA-N 406.384 -2.424 0 3 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C)C[C@H](O)[C@@]12O 238749684 MLTZHVBDDNOQNM-NYOMMWTKSA-N 406.384 -3.036 0 1 HAAF NCC1=CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)O1 653733686 HJWXBBYTSANIQZ-DRZKMKLPSA-N 420.463 -4.469 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C(=O)O)[C@H](P)[C@H](O)[C@H]1O 2356574573 FHVDTGUDJYJELY-SKAUNXRQSA-N 418.228 -3.515 0 1 HAAF C/C=C1\[C@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)OC=C(C(=O)OC)[C@H]1CC(=O)O 86030236 XSCVKBFEPYGZSL-HXZWYTARSA-N 404.368 -1.747 0 1 HAAF in-man O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@]2(O)CO 2356665214 YEOAKYNPUWNNOB-LFOKQSMCSA-N 408.356 -4.152 0 1 HAAF C[C@@H]1O[C@H](Oc2ccc(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cc2)[C@H](O)[C@@H](O)[C@H]1O 2356794759 LJZGVVDZYKJWFR-PKWJDIFGSA-N 406.435 -1.075 0 1 HAAF O[C@@H]1[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)OC[C@@H](O)[C@@H]1O 86005502 ILEPOIYJHJQWCK-BWXDXDHXSA-N 414.360 -5.656 0 1 HAAF in-man O=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)cc1 2356478245 WNBIKNLJJFCZAQ-ZLULVEPSSA-N 416.379 -2.857 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@](C)(O)CC[C@]12O 2356590539 RWMXKBUPLSNIJL-PXHRPSBOSA-N 406.384 -2.892 0 1 HAAF Nc1nc(=O)c2ncn([C@@H]3O[C@H](CNC(=O)[C@H](N)C4CCCCC4)[C@@H](O)[C@H]3O)c2[nH]1 199375609 FCLNKOWHKSKCBX-MKLLPWDSSA-N 421.458 -1.655 0 3 HAAF OCCCc1ccc(O[C@H](CO)CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)c1 238753880 LOHOHFHINWYOTL-VMLRXSKPSA-N 418.439 -2.340 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@]31O)O[C@H](C)C(C)(C)C2=O 2356484548 YSKRVHAAQGSYFK-SMSAROMQSA-N 422.434 -1.267 0 1 HAAF CO[C@H]1C=C(CO)[C@@H]2[C@H]1C(C(=O)O)=CO[C@@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356587686 UGWIKFJKKFUZBT-NMSRIKKPSA-N 404.368 -2.693 0 1 HAAF OC[C@H]1O[C@@H](OCCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O 49053068 YSMFIJDRMWRYKD-DXGCKQMKSA-N 416.423 -2.490 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 100829837 OMFHKRCSRGUKRK-ZYZWGZCLSA-N 406.365 -1.424 0 1 HAAF endogenous,in-man N[C@@H]1[C@H](O[C@@H]2[C@@H]3O[P@@](=O)(O)O[C@H]3[C@H](O)[C@@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O 169344364 ZULNQPCZALKHMF-KBLQWSQQSA-N 403.277 -4.881 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C[C@@H](O)O[C@@H]2C 238758671 YTZSBJLNMIQROD-VIBKYFOJSA-N 406.384 -2.424 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@](O)(CO)[C@@H]1O 2356406501 YHDAKZKWAOSYLU-PKDGMMEYSA-N 420.367 -3.408 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356554993 DZMYOBBWRZTUTA-BQUMSZHFSA-N 414.407 -2.028 0 1 HAAF C[C@H](O)/C=C/[C@@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C[C@@]1(C)O 95913468 SGUOENJPMRQEMJ-DRKFIVKCSA-N 406.472 -1.589 0 1 HAAF biogenic,in-vitro C[C@@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@]1(C)O 143697121 RPJREIHZBZFGOB-IMXWEFONSA-N 404.456 -1.824 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2CCC(=O)[C@]12C(=O)O 238742517 XJRFLCMOTHIFMB-RNQZGUCDSA-N 418.351 -2.734 0 1 HAAF O=C(CC[C@@H](O)Cc1cc(O)cc(O)c1)O[C@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356345882 COBSRKLPDWFDCG-REUSXPIFSA-N 402.352 -1.783 0 1 HAAF CC(=O)O[C@]1(C)CC[C@@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356726472 MHPCGYUNJSQGDG-ULZSGTRYSA-N 404.412 -1.474 0 1 HAAF N=C(N)NCCC[C@H](NC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640401 PINIUPKYFNDRJB-NSHDSACASA-N 414.444 -2.104 0 1 HAAF COC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O 1911580711 ZOHDMTPEANQLRS-KKUMJFAQSA-N 401.508 -1.233 0 1 HAAF CCCNC(=O)N[C@@H]1C=C(C(=O)N[C@H](CCS(C)(=O)=O)C(N)=O)C[C@H](O)[C@H]1O 2356315441 ZVIDJVABGIZNEE-NDBYEHHHSA-N 420.488 -2.479 0 1 HAAF O[C@H]1[C@H](O)CC[C@H](OC[C@@H]2C[C@H](OCCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]1O 2356356888 NWESKLXRDKJSDE-HUTKLZKUSA-N 412.479 -1.021 0 1 HAAF C[C@@H]1O[C@H](OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356450256 MZHBYHJOWQQUIV-CICZYCMESA-N 416.423 -2.145 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cccnc2)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25429618 KUBCKLDOIZXJJG-HUUCEWRRSA-N 403.439 -1.224 0 1 HAAF biogenic COC(=O)[C@@H]1C[C@H](SC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)CN1 62178676 NFQHKFQQWMVPOZ-TVDBPQCTSA-N 410.456 -1.336 0 1 HAAF Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)[C@@H](C(=O)N[C@@H]2CCCNC2=O)C1 25430671 IPCDNKHEPUKCNK-TZMCWYRMSA-N 411.484 -1.494 0 1 HAAF biogenic O=P(O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3cncnc32)[C@H](O)[C@@H]1O 40460520 GCQAPFMSQYSXBV-FDDDBJFASA-N 412.188 -1.328 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@H](CO)N(C)C(=O)C4=C[C@@]13O)O[C@H](C)C(C)(C)C2=O 238733053 YSKRVHAAQGSYFK-LKBMXFSDSA-N 422.434 -1.267 0 1 HAAF CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](CCCCN)C(=O)O 2356560634 YOTNPRLPIPHQSB-FQUUOJAGSA-N 415.539 -1.194 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356751889 VXOJXCBBJWLAPR-DFBUKNSESA-N 416.423 -1.973 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257409206 DSDFXGQRZAFFQA-MZZKAKEOSA-N 416.379 -2.859 0 1 HAAF endogenous,in-man N[C@H](CSC(=O)Nc1ccccc1)C(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356538476 FRNMQWSWCDBITJ-JWOJSXKRSA-N 402.425 -1.378 0 1 HAAF NC=C(N)NCCCC[C@@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN 2356647949 JBVZQDJNGFOSNX-KDOFPFPSSA-N 417.555 -2.517 0 1 HAAF CC(C)CCO[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 86049811 PPIXDGFHKZNFOD-WOJXUMGRSA-N 412.432 -3.327 0 1 HAAF in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@]1(O)C[C@H](O)[C@]2(C)O 238774676 VFYACENSDOLJGQ-UEIFGGBYSA-N 422.383 -3.921 0 1 HAAF C[C@H](O)CC[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356383624 SNMLGMAKMWIVSL-LGCZGPHGSA-N 406.472 -1.492 0 1 HAAF C[C@H]1CC[C@@]2(O)[C@@]3(O[C@]4(O)C[C@]2(C)[C@]2(O)C[C@@](O)([C@@H](C)CO)[C@]4(C)[C@@]32O)[C@@H]1O 104371301 LIGPZBKBGCJTGC-UZKBUFFZSA-N 400.468 -1.379 0 1 HAAF in-man C[C@@H]1C[C@H](O)CC(C)(C)[C@@]1(O)/C=C/[C@@H](O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 135763295 YIAQIGPDWXVEJQ-NGRRKRASSA-N 406.472 -1.732 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)C[C@@H](O)[C@]12O 2356510062 MLTZHVBDDNOQNM-ZCCGGRGGSA-N 406.384 -3.036 0 1 HAAF COc1cc([C@H](O)[C@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356623162 SBBZLYAYBZBMAP-NMVCHNMQSA-N 404.412 -1.049 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2c(ccc3ccc(=O)oc23)O1 2356740564 SNDKCNISROFTJM-ZUVNUGNBSA-N 424.402 -1.336 0 1 HAAF CCOC(=O)[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O 38321185 MLOHEHQRAKHYLT-IOSLPCCCSA-N 419.287 -1.321 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CC[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 45370797 ABWZRENEVQXJCY-WOUKDFQISA-N 423.259 -1.177 0 1 HAAF C[C@H](N[C@@H](Cc1c[nH]cn1)C(=O)O)[C@@H](C(=O)O)N(C)C(=O)[C@H](N)Cc1c[nH]cn1 60183927 LMUHIYQHLMCRNZ-VZLIPTOUSA-N 407.431 -1.412 0 1 HAAF in-vitro OC[C@H](O)[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O)O[C@H]([C@@H](O)CO)[C@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O 64633785 GXCLGNHLZMTTQJ-ZOULSWATSA-N 402.349 -6.675 0 1 HAAF in-vitro N[C@@H]1[C@H](O[C@@H]2[C@@H]3O[P@](=O)(O)O[C@H]3[C@H](O)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O 253867395 ZULNQPCZALKHMF-RUTBJGEZSA-N 403.277 -4.881 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)[C@H]3[C@@H]2[C@@H]1[C@@H]1O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O[C@@H]3O1 2356593367 IMYNUOFRENGSJB-BQOUSKBSSA-N 414.363 -2.200 0 1 HAAF CC(=O)Cc1cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc2oc(CO)cc(=O)c12 2356711257 QIMCRYYCUHMHMQ-XXQMMXQMSA-N 410.375 -1.405 0 1 HAAF CC(=O)c1cccc(N[C@@H]2[C@H](N)[C@](NC(=O)N(C)C)([C@H](C)O)[C@](C)(O)[C@]2(O)CO)c1 2356808685 ZBMYQXMIVFKMOG-QVNFGNLOSA-N 424.498 -1.124 0 1 HAAF C[C@@H](/C=C/[C@]1(O)[C@]2(C)CO[C@@]1(C)CC(=O)C2)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 49054732 AQDQRSAVDNFBEA-YPVHWGLSSA-N 402.440 -1.363 0 1 HAAF biogenic,in-vitro COCCO[C@@H]1[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21 58639048 XPQHQKCWTLHVLZ-WOUKDFQISA-N 421.303 -1.899 0 1 HAAF in-vitro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c1ccccc1 2356734183 XCYNBEZJSJGJGO-ZYXBTSPNSA-N 416.379 -2.893 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@H](O[C@@H]3CO[C@H](O)[C@H](O)[C@@H]3O)O[C@H](CO)[C@@H]2O)[C@@H](O)[C@@H]1O 2356766061 HNKQGVAGEKCKSR-DOTHNRSDSA-N 414.360 -5.656 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@@H](N)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)O 84705179 FPMINOYRMCNUPV-LAEHNOMZSA-N 417.459 -1.329 0 1 HAAF C[C@H](N)C(=O)N[C@@H](CCO)C(=O)N[C@H](CC(=O)Oc1n[nH]c(O)c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c1cccc(N)c1 1857770508 YBZAXMVZFDLFIF-OVJXPFRRSA-N 409.395 -2.047 0 1 HAAF CC(=O)O[C@@H]1[C@@H](O)[C@@H](CO)O[C@H](O[C@@H]2OC=C(C(=O)O)[C@@H]3C[C@H](O)[C@H](C)[C@@H]23)[C@H]1O 2356593902 BCWFBSRSXRFEIL-GPUZWFCUSA-N 418.395 -1.668 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N[C@@H](CO)C(=O)O)cc1 27639011 AYSGQIAHAWESQC-JTQLQIEISA-N 402.385 -3.258 0 1 HAAF OC[C@@H]1OC[C@@H](O[C@@H]2O[C@@H](COCc3ccccc3)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 40874410 JDGKZYSACWLQKT-RBRZPYPVSA-N 416.423 -2.491 0 1 HAAF C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356699596 YASQSQYNAKRYLD-PMCXHYFTSA-N 400.377 -4.992 0 1 HAAF O[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356354470 KDWQVNKGSDPRET-GTJSLIJSSA-N 418.395 -3.215 0 1 HAAF OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356451071 SEZVUDWLTCREHG-JMAHBXQSSA-N 404.368 -2.964 0 1 HAAF N=C1N=C2[C@H](C(=O)N1)C(CN[C@@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 2356540995 DEPYCKOJXDKIQJ-OGXQDOKRSA-N 409.399 -4.046 0 1 HAAF CC(C)(O)[C@H](O)C(=O)OCc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356560721 CHRIGVPNNGMWMG-BMNMPBFRSA-N 402.396 -1.960 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356598936 GTHIFXIHABRYRL-ZHHXUKJJSA-N 416.376 -6.020 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@@H](O)[C@]12O 255225963 LGTHGFVYOAZGBN-NVHANVGLSA-N 422.383 -4.065 0 1 HAAF CC(C)=C[C@]1(O)C(=O)C(C)(C)[C@@H](O)C(C)(C)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356330570 MADFHBUSPUXCHC-JSAYRIAJSA-N 418.483 -1.135 0 1 HAAF OC[C@H]1O[C@H](O[C@@H]2CO[C@@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356521973 SKUMUKAMXQEGMM-AYUFZQJVSA-N 402.396 -2.534 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@H](O)[C@]12O 2356611433 WUZGENDUAYSYJW-HAOXYKBUSA-N 404.368 -3.116 0 1 HAAF O=C(CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)NCc1cn(Cc2ccccc2)nn1 66251069 QNWZXTOEGUCCBO-SOVHRIKKSA-N 408.411 -2.241 0 1 HAAF O=C(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)c1ccccc1 238736445 VJWJBEKMAHGPHV-WUZBCTQCSA-N 416.379 -2.893 0 1 HAAF Cc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1OC[C@](O)(CO)[C@H]1O 238786869 YHDAKZKWAOSYLU-UXHDLDNSSA-N 420.367 -3.408 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)OC[C@@H](CO)O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257434546 HHNPREGNVCFCOP-ZINXWEDRSA-N 400.380 -1.874 0 1 HAAF COc1cc([C@@H](O)[C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1OC 2356771340 VVQORBWCJVXQBI-LJCQJWCWSA-N 420.411 -2.077 0 1 HAAF COc1ccc(CN(C)C(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)cc1OC 199399813 JIZCYBOVJNXWDN-UIBIWLFHSA-N 421.406 -1.168 0 3 HAAF O[C@H]1[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 101409749 WUOWYKPGZRQBCX-ULOZQBBYSA-N 408.499 -1.229 0 1 HAAF C[C@@H](O)C=C[C@]1(O)C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C[C@H](O)CC1(C)C 2356589666 NQVCHILBOKUZIP-CQWZAOEJSA-N 404.456 -1.812 0 1 HAAF Cc1cn([C@@H]2C[C@@H](n3cc(Cn4ccc(=O)[nH]c4=O)nn3)[C@H](CO)O2)c(=O)[nH]c1=O 5847286 MFFOUDZYFVDVOU-DYEKYZERSA-N 417.382 -2.144 0 1 HAAF CO[C@]1(NC(=O)[C@H](C)NC(=O)CC[C@@H](N)C(=O)O)C(=O)N(S(=O)(=O)O)[C@@H]1C 14852282 KBXJJUKRJUEIMJ-PSWSROFUSA-N 410.405 -2.824 0 1 HAAF biogenic COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@]12O 139811217 IKSXXSBNUQXFLT-SPFXQFGZSA-N 406.384 -3.036 0 1 HAAF O=c1ccn([C@@H]2[C@H](O)[C@H](O)[C@@]3(CO[P@](=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1 195123449 BFWUJFNKDUGYMX-GASNPYNPSA-N 414.200 -1.954 0 1 HAAF CC(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(N)=O 31976828 JCOBWZIPFAGSBU-HZSPNIEDSA-N 422.442 -1.717 0 1 HAAF in-vitro N[C@@H]1[C@@H](O)[C@H](OP(=O)(O)O)[C@H](O)[C@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 40520383 RHUZQIJSAKZPDO-WAOYECQMSA-N 419.109 -3.517 0 1 HAAF COc1cc(C[C@H]2CCC(=O)O2)cc(O[C@H]2O[C@@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]2O)c1O 95626138 KPVLDYMZFUPBJG-OKFQMSLDSA-N 414.363 -1.080 0 1 HAAF in-man N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@@H]1[C@@H](O)[C@]2(O)CO[C@H]([C@H]2O)N1O 100878138 JOBDOAKLPNMGKV-GRTJILQUSA-N 413.383 -3.286 0 1 HAAF O[C@H]1CO[C@@H](OC[C@H]2O[C@H](OC=C3CCC4CC3C4)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 2356373115 SBEAYYBOUQWTHI-YBCYNCBESA-N 418.439 -2.030 0 1 HAAF CC(=CC=CC[C@H](C)[C@H](O)CC(=O)O)C(=O)OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)CO 2356596440 IAQWGYFBKITHHC-KGHDMCEESA-N 406.428 -1.670 0 1 HAAF C/C=C1/[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14617962 KYVUMEGNMQDSHO-XBQNFODBSA-N 418.395 -1.658 0 1 HAAF endogenous,in-man NC(=O)C=C(NC(=O)CNC(=O)[C@@H](O)CO)C(=O)N[C@H]1CN(S(=O)(=O)O)C1=O 2356394435 CFFFTCICFURLIB-BQBZGAKWSA-N 423.360 -5.929 0 1 HAAF O=C1C[C@H]2S[C@@]34C[C@@H]1[C@@H]([C@@H]2O)N3C(=O)[C@@]12C[C@H]3C(=O)C[C@@H](S1)[C@@H](O)[C@H]3N2C4=O 2356515323 KFDSXBGPHVNSIT-SVFGNNHASA-N 422.484 -1.275 0 1 HAAF Cc1cc(O[C@@H]2OC[C@](O)(CO)[C@@H]2O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356579665 HMITWBGYLIMQAJ-KJPHPDOHSA-N 418.395 -3.007 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)[C@@H](O)[C@@]2(C)O 2356699171 HHDWDLBSGSYIQQ-VKNJGYQVSA-N 422.383 -4.065 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S@](=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O 29401550 UCALNDAYBFUTCI-WJNKARRVSA-N 400.417 -2.422 0 1 HAAF Nc1nc(F)nc2c1ncn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in-vitro COC(=O)CN1C(=O)[C@H]2C[C@@H](O)CN2C2(CN(C3CCN(C(C)=O)CC3)C2)C1=O 2356300849 UFAOOAHXWWTKFG-HUUCEWRRSA-N 408.455 -1.971 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@H]12 2356585427 PTPQTMGOUIHFNR-NAIWWCBXSA-N 418.395 -3.011 0 1 HAAF CN(C)c1nc2c(c(=O)[nH]1)[n+](C)cn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O 39106563 ZKNRLOCMOKOKHW-WOUKDFQISA-O 406.312 -2.656 0 1 HAAF in-vitro C/C=C1/[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)O 238731541 XSCVKBFEPYGZSL-FJUZZBMZSA-N 404.368 -1.747 0 1 HAAF C[C@H](O)[C@]1(O)CC[C@]2(O)[C@]3(O)C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3C[C@@H](O)[C@]12C 255286857 ZEWGTIKMRLEWOT-LJBRMWOESA-N 416.511 -1.212 0 1 HAAF O=c1nc(O)c(CCC[C@H](O)CO)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1 535385308 DZWBOVINFCXKSX-NNYUYHANSA-N 410.316 -1.618 0 1 HAAF in-vitro O=P(O)(O)O[C@H]1[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 2356345542 UJXBXUSHOWRLIG-ICUNUTCMSA-N 422.276 -5.893 0 1 HAAF CCCn1cnnc1CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 199376338 DAIUDUJCAYSOAE-MEQWQQMJSA-N 403.403 -1.654 0 3 HAAF O=P(O)(O)OC[C@@H]1C[C@H](N[C@@H]2C=C(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 2356344120 ZKSTYMJGEHZSFH-ZFBSEPKDSA-N 415.332 -4.460 0 1 HAAF O=C(O)c1cc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)ccc1O 2356436471 MPMGCDBPHYSKLY-CIIYCJROSA-N 418.351 -2.627 0 1 HAAF COC(=O)C1=CC[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@@H]12 2356566305 YWYMRDWOSVYTFC-FCXFFBQWSA-N 416.423 -2.552 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](Oc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238770019 MJAVHXIMPOPFJG-DCSNAHRYSA-N 404.368 -2.964 0 1 HAAF CCCC[C@H](C)C(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CNC(C)=O 1857554129 JPVQMZNIQVEWTK-FWVYVGRESA-N 402.444 -1.116 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2C(CC(C)=O)=CC[C@H]12 2356363078 GQPCBYJMUDSCJZ-HGVXAOHJSA-N 414.407 -1.242 0 1 HAAF OC[C@H]1OC[C@@H](O[C@H]2O[C@H](CO)[C@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356373672 FRACCEHBKJCTJJ-MUYODTGDSA-N 416.423 -2.491 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N[C@H](Cc2cccs2)C(N)=O)C[C@@H](O)[C@H]1O 2356824705 GXQMRWWFIXZPOH-YGARTUKASA-N 410.496 -1.595 0 1 HAAF O=S(=O)(O)O[C@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@@H]2CO[C@@H]([C@H]2O)[C@H]1O 34230983 OGFGYTRGDDWUKC-YBFCQOOYSA-N 404.346 -4.525 0 1 HAAF in-vitro CC(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O 1911580842 KQTNINZYBJRRSE-IHRRRGAJSA-N 414.507 -2.004 0 1 HAAF COc1cc(C[C@@H]2CCC(=O)O2)cc(O)c1O[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356344702 OQZAGOJJVQJMIE-BOTBVDPBSA-N 414.363 -1.080 0 1 HAAF NC(=O)[C@H](Cc1cccs1)NC(=O)C1=C[C@H](NC(=O)[C@@H]2CCCN2)[C@@H](O)[C@@H](O)C1 25193304 KBOLWGWIVBOMOK-UVPYHEFZSA-N 422.507 -1.451 0 1 HAAF biogenic CNC(=O)CCCCO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@@H]([C@H](O)[C@H](O)CO)O1 26840172 MZXVATPDYBSKIH-FPXXGNILSA-N 422.431 -2.931 0 1 HAAF COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@@H]3COC(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 2356660204 BTCMNPWDMQYXQL-XMJGLYPZSA-N 414.363 -1.303 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N(C)[C@H](C)C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12 27203865 WOXJCCNNBNVKFS-PHPRGHSWSA-N 404.397 -1.653 0 1 HAAF C[C@](O)(CO[C@@H]1O[C@H](COC(=O)c2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1O)[C@H](O)CO 137747602 WEDHAYWWGPSQDM-VTODNCJKSA-N 418.395 -2.523 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)CC(=O)[C@H]12 238757908 JTIRVAMILJQVBT-GSVAQQCBSA-N 404.368 -2.970 0 1 HAAF COc1cc(CCCO)ccc1O[C@@H](CO)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257476679 LRRKTNFBBSNZEN-SBIIOWDGSA-N 418.439 -1.824 0 1 HAAF endogenous,in-man O=C(C[C@@H]1C[C@@H]2O[C@H](CNC3CCNCC3)[C@H](O)[C@@H]2O1)N1CCS(=O)(=O)CC1 2356597721 SIUAXZCKJHKVLC-ONMISFSYSA-N 417.528 -1.739 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H](O)[C@@]2(C)O 84670257 HHDWDLBSGSYIQQ-RHZWLWFHSA-N 422.383 -4.065 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356604315 XVEQZCCPXIQRBX-CJHMEAONSA-N 424.443 -3.017 0 1 HAAF O=C(O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H]1CC(=O)[C@@]2(O)CO 2356810505 AYKQDKNGVRPOSI-SZCIRQMTSA-N 406.340 -3.944 0 1 HAAF O=P(O)(O)OC1[C@H](OP(=O)(O)O)[C@@H](O)C(O)[C@@H](O)[C@H]1OP(=O)(O)O 4214896 GKDKOMAJZATYAY-GCVPSNMTSA-N 420.093 -3.484 0 1 HAAF C/C(=C\c1ccc(OCCO)c(O)c1)C(=O)N[C@@H]1[C@H](O)[C@@H](O)[C@H]2OCO[C@H]2[C@@H]1O 29331618 BCLODKZCPBBCSU-JAKOCYRXSA-N 411.407 -1.511 0 1 HAAF O=P(O)(O)OC[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 104863712 LABSPYBHMPDTEL-ADMIGLFESA-N 422.276 -5.280 0 1 HAAF CC(=O)N[C@H](C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O 1911580039 ZJSCNGFKBIDHLQ-RZFFKMDDSA-N 401.508 -1.498 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)[C@H](O)C[C@]12O 2356479391 NQSPWJNPZSDSTK-KFYVVZIRSA-N 406.340 -4.103 0 1 HAAF CC(=O)N[C@@H]1[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1O[C@@H]1[C@H](CO)O[C@H](O)[C@H](NC(C)=O)[C@H]1O 13348010 CDOJPCSDOXYJJF-WIYJJEEQSA-N 424.403 -5.110 0 1 HAAF in-vitro CCCn1c(=O)n([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c21 27106918 TVJHDKPEPAEFOH-IOSLPCCCSA-N 421.303 -2.393 0 1 HAAF N[C@@H]1[C@H](O)O[C@H](C[C@H](O)[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356403988 ZPDFNEXYNUEAKH-VFRASUPISA-N 405.360 -4.915 0 1 HAAF OC[C@H]1O[C@@H](n2cnc3c(NN4CCC[C@@H](O)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O 26647553 JKQATMIEYXFKHM-BAYCTPFLSA-N 400.823 -1.125 0 1 HAAF NCCCC[C@@H](NC(=O)[C@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O 39812325 UZFHNLYQWMGUHU-MXWKQRLJSA-N 417.467 -2.975 0 1 HAAF biogenic CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 66258266 XPAUCTZKSHWPRS-JJADVJHASA-N 418.417 -4.691 0 1 HAAF CN(C)[C@@H]1C(=O)[C@@H](C(N)=O)C(=O)[C@@]2(O)C(=O)[C@@H]3C(=O)c4c(O)cccc4C[C@H]3C[C@@H]12 221051416 CRNIKQQPTHSPBA-RNUOEIDWSA-N 414.414 -1.133 0 1 HAAF N[C@@H](Cc1nc2ccc(-n3cnnn3)cc2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587218215 FWMBQIRLWTUCMD-ONGXEEELSA-N 402.371 -1.157 0 1 HAAF COc1cc2c3c(c1)O[C@H]([C@H](N)[C@@H](O[C@H](C)C(=O)O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O 587431397 DUXXMWLIWPDIRH-VIHVHOPLSA-N 411.407 -1.289 0 1 HAAF C[C@H](N)C(=O)O[C@@H]1[C@@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@H](O)[C@H]1O 2356664867 LJCFNEWFKJURHR-NVGCHCHMSA-N 413.376 -5.498 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2CO[C@@H](OC)C[C@H]12 2356716130 DGNXCLIPLOECFN-NACUCQQKSA-N 406.384 -1.547 0 1 HAAF CC(C)[C@H](NC(=O)C[C@@H](N)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1O)C(=O)N[C@@H](C)C(=O)O 84726076 OIEULKNNPCSEER-SNJDBZCJSA-N 417.459 -1.329 0 1 HAAF CO[C@@H]1O[C@H](Cn2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H]1O 2178319948 OHAWNNSROPIUKC-QTRIYHCASA-N 407.376 -4.312 0 1 HAAF O=S(=O)(O)O[C@@H]1[C@@H](O[C@@H]2O[C@H]3CO[C@@H]([C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)O[C@@H]1CO 2356309237 OGFGYTRGDDWUKC-NWDKRGFXSA-N 404.346 -4.525 0 1 HAAF Nc1nc2nc(C(=O)NCC(=O)N[C@@H](Cc3ccccc3)C(=O)O)cnc2c(=O)[nH]1 95596304 XYQCEJDIFQQSAN-JTQLQIEISA-N 411.378 -1.163 0 1 HAAF in-vitro CO[C@@]1(O)CO[C@@H](OC[C@H]2O[C@@H](OCCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238762054 AKEZYQDNPMFFCO-SWFYNPFCSA-N 416.423 -1.878 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@]12C 238778175 IZFHVJKSJGLTCX-WPVXZUHMSA-N 418.395 -1.826 0 1 HAAF O=C(O)c1cc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@H]2O)ccc1O 2356436472 MPMGCDBPHYSKLY-DUBSVMKISA-N 418.351 -2.627 0 1 HAAF CC=C1[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)OC=C(C(=O)OC)[C@@H]1CC(=O)OC 2356592808 KYVUMEGNMQDSHO-QXOTWICFSA-N 418.395 -1.658 0 1 HAAF CC(=O)OC[C@H]1O[C@@H](O[C@@H]2OC=C3C(=O)O[C@H]4C=C(CO)[C@@H]2[C@H]34)[C@H](O)[C@@H](O)[C@@H]1O 238772437 KYZSIRLGANXBNT-ZQVCFQTRSA-N 414.363 -2.296 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]1[C@@H]32 2356408340 COUXBBBIXWWAEP-MOIUOFHFSA-N 414.363 -2.296 0 1 HAAF CN1C(=O)C[C@@H](C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 3873382 LQZAIAZUDWIVPM-QJPTWQEYSA-N 405.415 -2.146 0 1 HAAF NC(=O)[C@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)N1C(=O)NC[C@H]1C(=O)O 27750858 VXFHUOOOTICIKU-AXFHLTTASA-N 407.387 -2.015 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356437201 KPUSIQDGYABESP-GSCNJGCHSA-N 420.411 -2.503 0 1 HAAF NC=C(N)NCCCC[C@H](O)CC(=O)N[C@H](O)C(=O)NCCCCNCCCN 2356647948 JBVZQDJNGFOSNX-KBXCAEBGSA-N 417.555 -2.517 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(=O)[C@H](O)C[C@@]12O 2356479393 NQSPWJNPZSDSTK-LYNYCXNVSA-N 406.340 -4.103 0 1 HAAF CC(C)C[C@H](NC(=O)[C@H](O)[C@@H](O)[C@@H](N)CC(N)=O)[C@@H]1Cc2cccc(O)c2C(=O)O1 14417874 DCPWYLSPIAHJFU-VCMWWZGJSA-N 423.466 -1.071 0 1 HAAF COC(=O)[C@@H](Cc1cccnc1)NC(=O)[C@H]1CN(S(C)(=O)=O)CCN1C(C)=O 25421203 VLZULVQHHCWPOT-HUUCEWRRSA-N 412.468 -1.226 0 1 HAAF biogenic O[C@H]1[C@H](O)[C@@H](O)[C@H](OCc2ccccc2)O[C@@H]1CO[C@@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 70455332 KDWQVNKGSDPRET-VIVGPOPYSA-N 418.395 -3.215 0 1 HAAF biogenic,in-vitro Nc1ccn([C@@H]2O[C@H](CNC(=O)Cc3cn4ccsc4n3)[C@@H](O)[C@H]2O)c(=O)n1 103244635 ZGNUDICPTLIEJN-ICGCDAGXSA-N 406.424 -1.487 0 1 HAAF CCCC(=O)O[C@@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238767842 TYUFEZZYZPMRID-NHLHEHSSSA-N 412.388 -4.046 0 1 HAAF O=c1nc(O)ccn1[C@]12C[C@H]1[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O 1857538061 KWOZLGGORHMCCA-KPWSKXQBSA-N 412.228 -1.647 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356474085 CGZNTHDUAFIKOH-APRDZNGDSA-N 416.423 -2.491 0 1 HAAF CN(CCN(C)C(=O)CCn1ccc(=O)[nH]c1=O)C(=O)CCn1ccc(=O)[nH]c1=O 1635303 FHDOIRGZHAXKPY-UHFFFAOYSA-N 420.426 -2.216 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1NC(=S)NC(=O)c1ccccc1 17217712 MIUNBHQVJPEDHM-JGLBJEFFSA-N 421.435 -1.280 0 1 HAAF CCOC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2C(CO)=C[C@H](O)[C@H]12 38991107 PIFFAIMSAYMMCE-DILZHRMZSA-N 418.395 -2.868 0 1 HAAF Cc1sc2c(c1C)CCN[C@@H]2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 963011231 OQFJGNHNEHOTHT-YOEJGKNVSA-N 419.496 -1.910 0 1 HAAF C[C@@H](O)CC[C@H]1[C@@]2(C)C[C@H](O)[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]1(C)CO2 2356383625 SNMLGMAKMWIVSL-LXEIYMMHSA-N 406.472 -1.492 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1CC(C)=O 2356501150 PQTIEQYVBZPBPX-DMNVNENQSA-N 418.395 -2.270 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356650884 UWKRNCNWJVCHGZ-JXFZAIEBSA-N 416.423 -2.490 0 1 HAAF N=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)[C@]23N1 2356681088 GEQVLVSQKTUBFK-AARYXTGUSA-N 411.353 -5.708 0 1 HAAF O[C@@H]1[C@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)OC[C@@H](O)[C@H]1O 86005509 ILEPOIYJHJQWCK-DQBRFERLSA-N 414.360 -5.656 0 1 HAAF in-man O=S(=O)(O)OC[C@@H]1O[C@@H](O[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@@H]1O 95635534 OGOQYJKFPIVMII-IPMGPSSHSA-N 422.361 -5.570 0 1 HAAF in-vitro O[C@H]1O[C@@H](CO[C@H]2O[C@@H](CO[C@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 257445714 ILEPOIYJHJQWCK-RJLCIVDMSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(=O)N[C@@H]1[C@@H](N)[C@@H](F)[C@](F)(C(=O)NCc2ccccc2)O[C@H]1[C@H](O)[C@H](O)CO 299851110 FILSDKOAKBMWFQ-QZNQKGLUSA-N 417.409 -1.748 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(F)c(F)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236083 YLFYBJIBKSLTHT-MEZTUJMESA-N 417.365 -1.645 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3ccc(C(=N)N)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587236101 ZIABCGFHXZGTKQ-VEWYWMFCSA-N 423.426 -2.639 0 1 HAAF O=C(c1ccco1)[C@H]1C(=O)c2ccccc2O[C@@]1(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO 587619687 YPWPFLZDPKXXRS-FAZWEPFSSA-N 422.386 -1.479 0 1 HAAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(=O)N4CCOCC4)[C@H](O)[C@@H]3O2)cn1 2356293132 CGZPXYMUZQXMPB-ONMISFSYSA-N 423.470 -1.246 0 1 HAAF COC(=O)[C@@H](CO)O[C@H](O[C@@H]1OC=C[C@@]2(O)[C@H](O)C[C@](C)(O)[C@@H]12)[C@@H](O)C(=O)OC 95910129 CNNYMNKPTOVMNY-KMYKYKHPSA-N 422.383 -2.854 0 1 HAAF biogenic,in-vitro CC(=O)NC/C=C/c1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1O 584905393 JBKMBEZUJCTZND-FBUKTIRESA-N 405.300 -1.144 0 1 HAAF in-vitro N=C(N)c1ccc(C(=O)NCC(=O)N2CCN(CC(N)=O)C(=O)[C@@H]2CC(=O)O)cc1 13778001 DSCRTRKBRLXWSW-LBPRGKRZSA-N 418.410 -2.300 0 1 HAAF COC(=O)C1=C(C)O[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@@H]2C 2356382267 UTICNCXLSLMBGF-REHCNEEMSA-N 404.412 -1.761 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356735277 LSQQDUHRCLZVLW-QIBDZQDVSA-N 418.395 -2.826 0 1 HAAF C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](CCCCN)C(=O)N[C@H](C)C(=O)O)C(=O)O 64634141 XJIDMERGIYRDKC-WHOHXGKFSA-N 417.463 -2.114 0 1 HAAF in-vitro COc1ccc2c(c1OC)[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C)[C@H](C)C2 962633612 KFFIFDYZNYDZKO-WLBYUJCTSA-N 401.456 -1.796 0 1 HAAF COc1cc([C@@H](O)[C@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356413359 AAZJIDQNEUWCEO-AGZKKFAISA-N 406.384 -2.380 0 1 HAAF O=C(O)[C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)NC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O 2356610052 TZJJTXFPLXKCLO-FAWAINPKSA-N 422.387 -5.027 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356735274 LSQQDUHRCLZVLW-DZEWJZRGSA-N 418.395 -2.826 0 1 HAAF N[C@H](C(=O)N[C@H](C(=O)O)[C@H](O)[C@H]1CN2C(=O)C[C@@H]2O1)[C@@H](O)[C@H]1CN2C(=O)C[C@H]2O1 83922476 SAFJOTXIKNUGOJ-WTXZMMBOSA-N 414.371 -4.481 0 1 HAAF in-vitro CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@H](C)[C@@H](O)[C@H](O)[C@H]1O 95589217 OTCHVZAGSBMQAL-WEIRBOCVSA-N 417.411 -1.725 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](OC[C@H]4O[C@H](O)[C@@H](O)[C@H](O)[C@H]4O)[C@@H]1[C@H]32 2356408342 COUXBBBIXWWAEP-RSDQNCKESA-N 414.363 -2.296 0 1 HAAF C[C@H](O)C=C[C@@]1(O)[C@@]2(C)C[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)C[C@@]1(C)C(=O)O2 2356532302 IYZKVNWVTDUROQ-GBNQTOQDSA-N 418.439 -2.045 0 1 HAAF OCCCc1ccc(O[C@@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(O)c1 2356563271 VFCCWDAKRDTVDJ-PECYGTDNSA-N 404.412 -2.127 0 1 HAAF CC(=O)OC[C@@]1(O)CC[C@H]2C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356658262 MEGLDKHMUVYZGX-RYYFKJJTSA-N 404.412 -1.617 0 1 HAAF Cn1ccc(C(=O)NCCOCCNC(=O)c2ccn(C)c(=O)c2O)c(O)c1=O 1652890 UJBLQXIGCCWUTB-UHFFFAOYSA-N 406.395 -1.328 0 1 HAAF CO[C@H]1O[C@H](CS(=O)(=O)C[C@H]2O[C@H](OC)[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 66259884 XPAUCTZKSHWPRS-JVWNEXKKSA-N 418.417 -4.691 0 1 HAAF CC(C)CCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356599167 PPIXDGFHKZNFOD-XBDCZORHSA-N 412.432 -3.327 0 1 HAAF CC(C)[C@@H](NC(=O)CNC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27638919 ZDXKZIJDPSJMLR-CQSZACIVSA-N 414.440 -1.595 0 1 HAAF OCc1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238743853 WGYSMZQKECLRAK-ZCLRWAROSA-N 418.395 -3.179 0 1 HAAF CC(C)CCO[C@H]1O[C@@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 257514619 PPIXDGFHKZNFOD-ZRTWXEHYSA-N 412.432 -3.327 0 1 HAAF endogenous,in-man COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 2356378137 XLAAFUIQGACOIR-OHKXDQFHSA-N 412.391 -1.349 0 1 HAAF COc1cc([C@@H](O)[C@@H](CO)O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc(OC)c1O 2356413360 AAZJIDQNEUWCEO-BJLFQGRBSA-N 406.384 -2.380 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356465358 ONUWJUACWORIMJ-SBZRRJQCSA-N 402.396 -2.534 0 1 HAAF CC(=O)O[C@@H]1[C@H](N)[C@@H](OP(=O)(O)O)[C@@]2(C(=O)O)CS[C@@](O)(C(N)=O)[C@@H]1O2 12504512 UVAAUIDYGIWLMB-HGNFPZBQSA-N 416.301 -3.134 0 1 HAAF in-vivo COC(=O)[C@H](C)NC(=O)[C@@H]1CN(S(C)(=O)=O)CCN1C(=O)C1CCNCC1 25429143 SKUMCJCLFUIGNU-AAEUAGOBSA-N 404.489 -1.864 0 1 HAAF biogenic CC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)[C@@H](C)S(C)(=O)=O)[C@H]2SC1 169342155 PWNXWSXAJLESSK-CIQYLNAISA-N 406.438 -1.279 0 1 HAAF Cc1occc(=O)c1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356405985 JVCXUCHSIDSOMM-SQMIGXOTSA-N 420.367 -3.410 0 1 HAAF C[C@](O)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@H]1Cc2cc3ccc(=O)oc3cc2O1 2356543783 XLLCZCUXCFIKTJ-MRMRDUCNSA-N 410.375 -1.379 0 1 HAAF CO[C@@H]1C=C(CO)[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@H]12 2356587685 UGWIKFJKKFUZBT-JLUWLHMDSA-N 404.368 -2.693 0 1 HAAF CN[C@H](C)C(=O)N[C@@H]1C=C(C(=O)N2Cc3ccccc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biogenic,in-vitro O=C1NC(=O)[C@@H]2C[C@H](S(=O)(=O)NCc3ccnc(-n4cccn4)c3)CN[C@H]2N1 618014429 YHXFGKZEEPXONW-SCRDCRAPSA-N 405.440 -1.170 0 1 HAAF CCC[C@@H]1C[C@H](NC(=O)[C@H]([C@H](C)O)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@H](O)[C@@H]2O)N(C)C1 2356565089 OKKCBNPDVFFQFL-WMKFLYOISA-N 422.544 -1.636 0 1 HAAF CO[C@]1(NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CO)CS[C@H]21 14589481 NLRQZPPGJODQAH-UFTIBIJLSA-N 403.413 -1.726 0 1 HAAF biogenic N=C(N)NCCC[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)O 38192524 MJINRRBEMOLJAK-MXWKQRLJSA-N 417.467 -2.765 0 1 HAAF O[C@@H]1[C@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)O[C@H](O[C@@H]2[C@H](O)CO[C@H](O)[C@@H]2O)[C@@H]1O 257528871 RBNRMSRJWILJMU-VHOCGOFTSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356449684 UOVCYPNTMQKFJE-DMSDKGEZSA-N 418.395 -2.657 0 1 HAAF Nc1nc2c(ncn2[C@@H]2O[C@H](COC(=O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 39182990 YLAOBAXIFFASHZ-TZQXKBMNSA-N 405.260 -2.958 0 1 HAAF O=C(O)[C@H]1O[C@H](OP)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](C(=O)O)[C@H](P)[C@H](O)[C@@H]1O 100772455 FHVDTGUDJYJELY-ICKTVQMCSA-N 418.228 -3.515 0 1 HAAF endogenous,in-man Cc1c(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)cc2c1C(=O)[C@H](C)[C@H]2O 238737451 LRNTYOVTZADMMX-SPVQUMSMSA-N 412.435 -1.288 0 1 HAAF C[C@H](O)[C@@H](NC(=O)[C@@H](N)CCCNC(=N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)O 14855878 MOGMYRUNTKYZFB-CYUUQNCZSA-N 422.486 -1.745 0 1 HAAF Cc1cn([C@H]2C[C@@H](O)[C@@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 31895608 CWODJSMVWRIQCA-NQBHXWOUSA-N 418.370 -2.922 0 1 HAAF C[C@H]1Cc2cc(Br)c(F)cc2[C@@H]([C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)N1 587825934 CKJASRCTTCTDJF-USVCDVJZSA-N 424.263 -1.040 0 1 HAAF COc1cc2c(c(O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1OC)CCN(C)[C@@H]2CO 2356698018 ANLAXYVKKILUOM-VXHGGQLASA-N 415.439 -1.596 0 1 HAAF O=c1[nH]c(=O)n([C@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)cc1Br 27553360 IDPVUMJNEZFMNU-UNGCPHIMSA-N 403.078 -1.972 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)Cn1cc(C(C)(C)O)nn1 64549635 HRCYBLDNHQXOQI-ZZEHVWSGSA-N 400.388 -2.540 0 1 HAAF CCCCN1[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 96937883 LMSOOPJUZDCJRQ-YBVXMOICSA-N 411.448 -4.269 0 1 HAAF C[C@]1(CO)CO[C@@H](OC[C@H]2O[C@@H](Oc3c(O)occc3=O)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 238749388 PPBQLEKMVJABAT-IABOQRDTSA-N 420.367 -2.736 0 1 HAAF CCCCCC(=O)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238782352 AMVRNAAKLTUFDK-AWIJXVANSA-N 410.416 -2.627 0 1 HAAF NCCCCN(CCCN)CCCC[C@]12B3B4B5B6B3B6[C@@]1(C[C@@H](O)CO)B5B1B4B12 299841797 NLVASRZWGZOVHD-PMPSAXMXSA-N 407.579 -3.089 0 1 HAAF N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2ccc(S(N)(=O)=O)cc2[nH]1)C(=O)O 587219328 KGMISGOXBQEIHG-WPRPVWTQSA-N 413.412 -1.486 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@@H]1C(=O)OC 2356684520 RJEDKBHZKYALIU-QWYTWNTPSA-N 420.367 -3.076 0 1 HAAF C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356699595 YASQSQYNAKRYLD-KCASRZJESA-N 400.377 -4.992 0 1 HAAF O=C(N[C@H](Cc1ccccc1)C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 199714113 ZSUFDXUTDVNENX-QPVMMRRFSA-N 405.363 -2.032 0 3 HAAF OC[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)CO[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 100827398 FASIISXZAJLLSP-HHNLNIIFSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(C)(C)[C@@H]1C[C@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 169361134 CXKDMDVEHLPRGY-JBQGERDNSA-N 424.402 -1.225 0 1 HAAF O=c1nc(O)ccn1[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@@H]1F 1857585821 FMLUJZYJYOSNRI-VCGXYPBASA-N 404.180 -1.118 0 1 HAAF CCO[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1C(=O)O[C@H]1[C@@H](O)C=C(C)C 2356408783 OYRNAQRKPVOICQ-XJFJKKLISA-N 406.428 -1.923 0 1 HAAF NCC(=O)N1CCN(C(=O)c2cccc(F)c2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 8299441 GGTHEVHVLZWSGI-GJZGRUSLSA-N 405.430 -1.168 0 1 HAAF biogenic CS(=O)(=O)CC[C@H](NC(=O)C1=C[C@H](NC(=O)CCN)[C@H](O)[C@H](O)C1)C(N)=O 36367884 VPQMHHFQWPVPSC-KQXIARHKSA-N 406.461 -3.723 0 1 HAAF biogenic O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 38334579 LABSPYBHMPDTEL-DURHNUSHSA-N 422.276 -5.280 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2C[C@]34[C@@H]5OC(=O)[C@]3(O[C@H]3OC(=O)[C@@H](O)[C@]34[C@H](C(C)(C)C)[C@@H]5O)[C@]12O 95098818 LMEHVEUFNRJAAV-ZQWLBCMOSA-N 424.402 -1.370 0 1 HAAF biogenic,in-vitro N[C@@H](Cc1nc2cccc(S(N)(=O)=O)c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O 587224285 YTOREGALSFKYRJ-CBAPKCEASA-N 413.412 -1.486 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C2=C(CO)[C@H](O)C[C@@H]12 2356450766 IWDXNCIWSRAIAR-QXXGNFJNSA-N 404.368 -3.114 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@@]2(O)CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356709613 MHCXWIWUQQOZHP-RZUUUEBYSA-N 408.400 -3.017 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CS[C@H]2CCN[C@H](C(=O)O)C2)[C@@H](O)[C@H]1O 62178658 PPAKVYRRHNXOLG-TVDBPQCTSA-N 410.456 -1.034 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=N)N)C=C(C(=O)NCCC(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 95597358 MPVYHCYTLXNCOU-RFCPQYNYSA-N 403.392 -4.070 0 1 HAAF C[C@H](N[C@H](C(=O)O)[C@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 253791959 UILSQVXVCCBDQF-NOHGZBONSA-N 414.415 -1.248 0 1 HAAF CCC[C@@H]1C[C@H](NC(=O)[C@H]([C@H](C)O)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@@H](O)[C@H]2O)N(C)C1 2356565087 OKKCBNPDVFFQFL-CHVAADAZSA-N 422.544 -1.636 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356604317 XVEQZCCPXIQRBX-UJONHNNBSA-N 424.443 -3.017 0 1 HAAF COCCN(Cc1ccc(C)cc1)C(=O)[C@H]1O[C@@H](n2cnc(C(N)=O)n2)[C@H](O)[C@@H]1O 199715542 HYZINBWHOKXMGV-QCUYGVNKSA-N 419.438 -1.020 0 3 HAAF O=P(O)(O)OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 13539860 ITPHOIFCAFNCLL-MFRLZQSSSA-N 422.276 -5.280 0 1 HAAF in-vitro,metabolite NS(=O)(=O)c1ccc(CNC(=S)N[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 73298114 AXCCCZJZUNRODT-UJPOAAIJSA-N 407.470 -2.902 0 1 HAAF OC[C@@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](Oc3ccccc3)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238736077 TYALKKBMRDZWLW-PPSREKHZSA-N 418.395 -3.311 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=C[C@@H](CO)[C@@H]12 2356585429 PTPQTMGOUIHFNR-UNPXTUENSA-N 418.395 -3.011 0 1 HAAF O[C@@H]1[C@@H](OC[C@@H]2C[C@H](OCCc3ccccc3)[C@H](O)[C@H](O)[C@@H]2O)CC[C@@H](O)[C@@H]1O 2356356890 NWESKLXRDKJSDE-VEDKOFHOSA-N 412.479 -1.021 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)OC(=O)C[C@H]12 2356658400 QZCJFXSHMSZCLH-SUHNHTEGSA-N 404.368 -2.216 0 1 HAAF CCOC(=O)[C@@H](NC(=O)CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)C(C)C 199374012 LDDLTNZYVVZXEK-RNPDWPAJSA-N 413.427 -1.360 0 3 HAAF C[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 45244908 SQMHOLXBHLEZAD-ZOQUXTDFSA-N 402.189 -1.895 0 1 HAAF Cc1cn(C[C@H]2C[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 45299904 IEFPFZFXUAABSO-LTIDMASMSA-N 418.450 -1.245 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C2=C(CO)[C@H](O)C[C@H]12 2356450765 IWDXNCIWSRAIAR-NSLSWCSSSA-N 404.368 -3.114 0 1 HAAF COc1cc2c(c(O[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c1OC)CCN(C)[C@H]2CO 2356698016 ANLAXYVKKILUOM-MPCCQONLSA-N 415.439 -1.596 0 1 HAAF C[C@@H](O[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356751892 VXOJXCBBJWLAPR-XFPBVJQNSA-N 416.423 -1.973 0 1 HAAF C[C@@H](O)C=C[C@@]1(O)C(C)(C)[C@H](O)CC[C@@]1(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356760446 KHIQEGWMYKWUIK-RSDACACBSA-N 406.472 -1.589 0 1 HAAF CO[C@H]1C(=O)N2C(C(=O)N3CCC[C@H]3C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@@H]12 3914177 SMZXYXKZTNLAKY-WBIUFABUSA-N 416.408 -1.509 0 1 HAAF O=C1C=C[C@@H]2N=CC=C3c4ccc(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)cc4N1[C@H]32 40393391 YSSIADRRIPPTBF-JCALJKEKSA-N 400.387 -1.013 0 1 HAAF NC(=O)c1ccc[n+](C[C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)N2CCC[C@@H]2C(N)=O)c1 169718438 FSAYHTLBOLVRDW-HZSPNIEDSA-O 417.446 -2.687 0 1 HAAF CC[C@@H](C)C(=O)N/C(N)=N/[C@H]1C=C(C(=O)O)O[C@@H]([C@H](O)[C@H](O)CO)[C@@H]1NC(C)=O 205883489 UUNDYPKXXWJKEE-WYMZPTEPSA-N 416.431 -2.582 0 1 HAAF OC[C@@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356397069 FPMURYWLAWHLRF-VICCEGCOSA-N 404.368 -2.964 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356520196 DSDFXGQRZAFFQA-CBYBWUDQSA-N 416.379 -2.859 0 1 HAAF CC(=O)N[C@H]1[C@@H](COC[C@H]2O[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](C(=O)O)[C@H](O)[C@@H]1O 2356688746 KTZKZQQLGYEMEB-CDKOQPDYSA-N 411.360 -5.119 0 1 HAAF CC(=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O 2356459258 FEGXTMHRTZJSIG-YELDXDDQSA-N 424.443 -3.015 0 1 HAAF Cc1cn([C@H]2C=C[C@H](COC(=O)C[C@@]3(CC(=O)O)OCOC3=O)O2)c(=O)[nH]c1=O 26475106 RFYXRHGCAAWGTH-CZIZLABSSA-N 410.335 -1.024 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CS(=O)(=O)CC[C@H](N)C(=O)O)[C@@H](O)[C@@H]1O 27548531 WEJCSEDKUUEPSC-LMZXYNMPSA-N 414.444 -2.092 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1NC(=O)c1cc(O)cc(O)c1 40499082 USWKJQTWIWBSFB-BTIUKSQHSA-N 402.367 -1.131 0 1 HAAF CN1CCN([C@@H]2[C@H](CNS(=O)(=O)c3ccc(F)cc3)O[C@@H](CO)[C@@H]2O)CC1 2356845990 OJKRWVFHSSAVDG-NXOAAHMSSA-N 403.476 -1.159 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 13376356 VLAZYPZGDJXPDY-HTVCMTGESA-N 402.396 -2.534 0 1 HAAF in-man CC(C)Nc1cc(NC[C@H]2O[C@@H](N3C=N[C@@H]4C(=O)NC=N[C@@H]43)[C@H](O)[C@@H]2O)ncn1 66078222 XMEAOSKAEHMIKO-YTCQKPKJSA-N 404.431 -1.648 0 1 HAAF O=c1ccn([C@H]2[C@@H](O)[C@H](O)[C@]3(CO[P@@](=O)(O)OP(=O)(O)O)C[C@@H]23)c(=O)[nH]1 169319026 BFWUJFNKDUGYMX-NEPJANSGSA-N 414.200 -1.954 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@H](CO[C@H]3OC[C@@](O)(CO)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)cc1 238764150 MZXQTTKWTOGVGF-DXDCOQRFSA-N 414.407 -2.027 0 1 HAAF O=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)cc1 2356478242 WNBIKNLJJFCZAQ-JCUQEQFFSA-N 416.379 -2.857 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@@H]1CC(C)=O 2356501152 PQTIEQYVBZPBPX-VEUWBMKLSA-N 418.395 -2.270 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)C[C@H](O)[C@]12O 2356510059 MLTZHVBDDNOQNM-AESKPNRLSA-N 406.384 -3.036 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356554992 DZMYOBBWRZTUTA-APRDZNGDSA-N 414.407 -2.028 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@H]1NC(=O)c1cc(O)cc(O)c1 40499081 USWKJQTWIWBSFB-QTFJUKGGSA-N 402.367 -1.131 0 1 HAAF CC(C)[C@@H]1C[C@H](O)[C@@H]2[C@H](O)CC[C@@](C)(O)[C@H]2[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356465914 LMIQUJRQXXTHNG-YEHRCCIXSA-N 420.499 -1.654 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 257411980 DZMYOBBWRZTUTA-LKBCLYITSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man Cc1cn([C@@H]2O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)nc1O 473109559 SVNKGQZUWGNNME-FDDDBJFASA-N 416.216 -1.786 0 1 HAAF O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H]1O 1857600883 IXJMLEYTDGNHLU-QZABAPFNSA-N 420.093 -2.870 0 1 HAAF O=C(O)c1cc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)ccc1O 2356436473 MPMGCDBPHYSKLY-OYVXISJDSA-N 418.351 -2.627 0 1 HAAF CC(=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O 2356459259 FEGXTMHRTZJSIG-ZUQBQJBHSA-N 424.443 -3.015 0 1 HAAF CC(=O)O[C@@]12COC=C[C@@]1(O)[C@@H](O)C[C@]2(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356751395 BHHBWNXFHDILDX-GMWDLUGESA-N 406.384 -3.097 0 1 HAAF C[C@H](O)C=C[C@@]1(O)C(C)(C)[C@H](O)CC[C@@]1(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356760447 KHIQEGWMYKWUIK-WPYGCXMESA-N 406.472 -1.589 0 1 HAAF O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@@H](O)C(O)[C@@H](O)[C@@H]1OP(=O)(O)O 3920441 GKDKOMAJZATYAY-LXOASSSBSA-N 420.093 -3.484 0 1 HAAF C[C@@H]1O[C@H](Oc2ccc(C[C@@H]3NC(=O)[C@@H]4CCCN4C3=O)cc2)[C@H](O)[C@H](O)[C@@H]1O 2356794760 LJZGVVDZYKJWFR-XOKNYCRYSA-N 406.435 -1.075 0 1 HAAF O=C(CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)NCc1cn(Cc2ccccc2)nn1 66263220 QNWZXTOEGUCCBO-XNJHUCFUSA-N 408.411 -2.241 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)C[C@@H](O)[C@]12O 238737113 QFXBACSTYFPXFG-SUXXVOEXSA-N 422.383 -4.064 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C(=CCO)[C@H]1CC(C)=O 2356501151 PQTIEQYVBZPBPX-FRYRWEMQSA-N 418.395 -2.270 0 1 HAAF C[C@H](O)[C@H](N)C(=O)[C@]1(O)[C@H](O)[C@H](CO)O[C@@]1(C(N)=O)n1cnc2c(N)ncnc21 2356805567 ACSCITMNVKPXFS-NWVMXKNRSA-N 411.375 -4.693 0 1 HAAF C[C@H](O)[C@H](N)C(=O)[C@]1(O)[C@H](O)[C@@H](CO)O[C@]1(C(N)=O)n1cnc2c(N)ncnc21 2356805568 ACSCITMNVKPXFS-UAVOJZDMSA-N 411.375 -4.693 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(CCN1CCCCC1)c(=O)n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biogenic CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O 49018888 VCLULSDZDBVIMM-MOROJQBDSA-N 421.458 -1.674 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C=C[C@H]2C(=O)O 2356448170 QXLZMFXGMGPPHW-OYXVPDAGSA-N 402.352 -2.281 0 1 HAAF C[C@@](O)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 2356543781 XLLCZCUXCFIKTJ-GDAHHVIVSA-N 410.375 -1.379 0 1 HAAF Nc1ccn([C@@H]2O[C@H](C(=O)N[C@H](COC=O)Cc3ccccc3)[C@@H](O)[C@H]2O)c(=O)n1 199400595 PYGCJVHMRJJPDY-LJDUOBFASA-N 418.406 -1.655 0 3 HAAF CO[C@H]1C(=O)N2C(C(=O)N3CC[C@H](C(=O)O)C3)=C(COC(C)=O)CS(=O)(=O)[C@H]12 27199786 POVIZWCBYBRVBR-ONENECBXSA-N 416.408 -1.652 0 1 HAAF NC(=S)CCNC(=O)c1cn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c2nc(N)[nH]c(=O)c12 49793144 LEWQIHKTBIUQJQ-INBBKXASSA-N 412.428 -2.676 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356449683 UOVCYPNTMQKFJE-AUMCYONUSA-N 418.395 -2.657 0 1 HAAF Cc1cn([C@@H]2C=C[C@@H](COC(=O)C[C@@]3(CC(=O)O)OCOC3=O)O2)c(=O)[nH]c1=O 26475134 RFYXRHGCAAWGTH-PSVSLLHZSA-N 410.335 -1.024 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](N)CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O 39800141 WOZDCBHUGJVJPL-AGIUHOORSA-N 401.512 -1.584 0 1 HAAF biogenic CCCC[C@H](N)C(=O)N[C@@H](C(=O)O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49112824 MJLANALQVVJGQU-RVIMLGCMSA-N 400.388 -2.757 0 1 HAAF C[C@@](O)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 95914157 XLLCZCUXCFIKTJ-IKDOQCOVSA-N 410.375 -1.379 0 1 HAAF biogenic,in-vitro OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356650886 UWKRNCNWJVCHGZ-ZOCZZNGCSA-N 416.423 -2.490 0 1 HAAF NC(=O)[C@H](CC(=O)O)NC(=O)C1=C[C@H](NC(=O)Nc2cccc(F)c2)[C@H](O)[C@H](O)C1 2356835830 KUNULXMIJQHNHK-XPCVCDNBSA-N 424.385 -1.188 0 1 HAAF CC(C)[C@]1(O)[C@@H](O)[C@H]2[C@]3(CO)C[C@@]4(O)O[C@@]5([C@H](O)[C@H](C)CC[C@]35O)[C@]2(O)[C@@]41C 2356368248 NJYHRMCKTLWXTE-HTERVNQVSA-N 400.468 -1.523 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356441968 KDEYBHDVXAKYRU-SPPOEXJDSA-N 414.407 -2.028 0 1 HAAF C[C@H](O)C=C[C@]1(O)C(CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)=C[C@H](O)CC1(C)C 2356589668 NQVCHILBOKUZIP-PQHDGXRLSA-N 404.456 -1.812 0 1 HAAF CC(=O)O[C@@]1(C)C[C@H](O)[C@]2(O)CCO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356709611 MHCXWIWUQQOZHP-FLTAEFFHSA-N 408.400 -3.017 0 1 HAAF COCC(=O)N1CCN(C(=O)c2cccnc2)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 25429620 KUBCKLDOIZXJJG-GJZGRUSLSA-N 403.439 -1.224 0 1 HAAF biogenic CC[C@@H](CO[C@@H]1O[C@H](CO[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)C(C)C 137384654 WTSRJBCPXZKTRQ-BUMPTVMBSA-N 424.487 -1.663 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@H](O)[C@@H]12 255260574 QDEYKGKBMCIYCT-LNVJKJSOSA-N 406.384 -3.180 0 1 HAAF O=S(=O)(O)OC[C@H]1O[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 1772599952 AJWOGPXMZBTABG-LIZSDCNHSA-N 422.361 -5.570 0 1 HAAF O=S(=O)(O)OC[C@@H]1O[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@@H]1O 33821345 GRHWGVDHRAZFMQ-GNFDWLABSA-N 420.348 -3.740 0 1 HAAF in-vitro OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@H](O)[C@H]1O 2356650883 UWKRNCNWJVCHGZ-ACRKZRDJSA-N 416.423 -2.490 0 1 HAAF O=C(O)COCC(=O)N[C@@H]1CCN2C(=O)[C@@H]3C[C@@H](OCC4CC4)CN3C(=O)[C@H]2C1 2356809023 AMRDVQXDLSPJTO-TUVASFSCSA-N 409.439 -1.027 0 1 HAAF N=C(N)NCCCCC(=O)NCC(=O)N1CCN(CC(=O)O)C(=O)[C@@H]1CC(=O)O 13777958 ULYCDWSKBGWSID-JTQLQIEISA-N 414.419 -2.645 0 1 HAAF O=Cc1ccccc1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@@H](O)[C@H]1O 85875783 DSDFXGQRZAFFQA-IEGVKZRZSA-N 416.379 -2.859 0 1 HAAF in-man COC(=O)C1=C(C)O[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C[C@H](O)[C@@H]2C 238740418 UTICNCXLSLMBGF-DAEVDZJDSA-N 404.412 -1.761 0 1 HAAF CC(=O)OCC1=C[C@@H]2OC(=O)C3=CO[C@@H](O[C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@H]1[C@@H]32 238757633 IBIPGYWNOBGEMH-OKEASSFKSA-N 414.363 -2.296 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H]1O[C@H](O)[C@H]2O1 256111935 PSTHWEAXBIXPRZ-BPNVXXOOSA-N 420.367 -3.088 0 1 HAAF Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895536 SJGIZVRSHOSUJA-DMDPSCGWSA-N 418.370 -2.922 0 1 HAAF CC(=S)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CO)C(=O)O 40430429 DNCWQSIFYYBVHJ-DCAQKATOSA-N 406.461 -2.058 0 1 HAAF OC[C@@H]1O[C@@H](O[C@H]2CO[C@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1O 59587856 PBKBHCJPMCMBCZ-ONEZUBNMSA-N 416.423 -2.491 0 1 HAAF biogenic,in-vitro CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3c(Cl)ncnc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235425 MMQXVIWUHFECLQ-OYERHUSUSA-N 417.806 -2.480 0 1 HAAF C[C@@H]1C[C@](C)(O)C(=O)[C@@H]2[C@H](O)[C@H]3[C@H](O)[C@@]4(C)O[C@@]25C(=C1O)C(=O)O[C@@]35C[C@H]4CO 2356335121 TYUSHSMNEUZGNO-DIDDWFJNSA-N 410.419 -1.038 0 1 HAAF OCCCc1ccc(O[C@@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(CO)c1 2356449419 LOHOHFHINWYOTL-VIGLNSERSA-N 418.439 -2.340 0 1 HAAF C[C@@H]1C(=O)O[C@H]2C[C@@]34[C@@H]5OC(=O)[C@]3(O[C@@H]3OC(=O)[C@H](O)[C@]34[C@H](C(C)(C)C)[C@H]5O)[C@]21O 100058583 LMEHVEUFNRJAAV-NLYWRUGXSA-N 424.402 -1.370 0 1 HAAF biogenic,in-vitro CC(=O)[C@@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@@]4(O[C@@]1(O)[C@@]2(O)[C@H]34)C(=O)N5 1772652039 XQCRMAWEEAMNOR-SMITWXTISA-N 400.387 -1.016 0 1 HAAF CC(=O)OCC1=C[C@H](O)[C@@]2(O)C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@H]12 2356662318 KYTISVZGNSQNDO-BWERODBFSA-N 404.368 -3.116 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](N)CCC(N)=O)C(=O)O 2356709604 MAGNEQBFSBREJL-AXFHLTTASA-N 403.436 -2.373 0 1 HAAF C[S@@](=O)c1nc(N)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 13473517 YJIBFSDNXPFNSJ-PAHOEEHLSA-N 409.317 -2.126 0 1 HAAF Cc1cn([C@@H]2C[C@@H](O)[C@@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 31895603 CWODJSMVWRIQCA-WZRBSPASSA-N 418.370 -2.922 0 1 HAAF CC(=O)OC[C@H]1O[C@H](OC[C@H](O)CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356487903 QQMKBKAGKNLWMX-JHMPBIJASA-N 422.383 -1.561 0 1 HAAF N=C(N)NCCC[C@H](NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](N)CC(=O)O)C(=O)O 2356709788 UZFHNLYQWMGUHU-AXFHLTTASA-N 417.467 -2.765 0 1 HAAF N[C@@H]1[C@H](O[C@@H]2[C@@H]3O[P@@](=O)(O)O[C@@H]3[C@H](O)[C@@H](O)[C@H]2O)O[C@@H](CO)[C@@H](O)[C@@H]1O 169344362 ZULNQPCZALKHMF-ZUOBEYCRSA-N 403.277 -4.881 0 1 HAAF C[C@H](C=C[C@]1(O)C(C)(C)C[C@@H](O)C[C@@]1(C)O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356488726 XZRJEYQBLXDNNU-LQHOPHJFSA-N 406.472 -1.589 0 1 HAAF O=P(O)(O)OC[C@H]1O[C@H](O[C@@H]2[C@H](CO)O[C@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356752959 ITPHOIFCAFNCLL-YCDWWZAUSA-N 422.276 -5.280 0 1 HAAF O[C@H]1[C@H](O)CO[C@@H](Oc2ccc(O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)[C@@H]1O 28714111 YYVQNNYQRHGPAA-TUAJPIDRSA-N 424.402 -1.525 0 1 HAAF O=C(/C=C/c1ccc(O)cc1)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 100829834 OMFHKRCSRGUKRK-AQLTVFMFSA-N 406.365 -1.424 0 1 HAAF endogenous,in-man CC(C)C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@]23[C@H](O)[C@@H]1OC(=O)[C@@H](C)[C@@H]14 2356781858 CBAUUWCEZZNYTD-DNQOUVSKSA-N 424.402 -1.514 0 1 HAAF CC(C)C[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O 34023795 SCQIQCWLOMOEFP-DCAQKATOSA-N 402.452 -2.058 0 1 HAAF biogenic C[C@H](N[C@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@H]1C(=O)O 40718640 UILSQVXVCCBDQF-ZPFDUUQYSA-N 414.415 -1.248 0 1 HAAF C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](N)CC[S@](C)(=O)=NP(=O)(O)O)C(=O)O 83922464 BLHBHYHQDXRTCR-JVRXADOBSA-N 402.366 -2.012 0 1 HAAF in-vitro OC[C@@H]1O[C@H](OC[C@@H]2O[C@H](O)[C@H](O)[C@@H]2O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 257415034 FHLVHZWPBBNFQR-JNNNALOGSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CC(C)CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356646952 VLRGBWXSYFMTKJ-SEGOYARXSA-N 412.432 -3.327 0 1 HAAF Cn1c(=O)ccn([C@@H]2O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c1=O 38149512 YCOAHNQUHLQMSA-ZOQUXTDFSA-N 418.188 -2.608 0 1 HAAF C/C=C1\[C@H](CC(=O)OC)C(C(=O)OC)=CO[C@@H]1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 263637203 KYVUMEGNMQDSHO-FAEWQKGGSA-N 418.395 -1.658 0 1 HAAF O=C1CC[C@@H](Cc2cc(O)c(O[C@H]3O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]3O)c(O)c2)O1 2356442405 ATYNVCXMADLPJQ-ZOSIHTJOSA-N 400.336 -1.383 0 1 HAAF O=C(O)[C@H](C[C@@H](O)C(=O)N[C@@H]1OCC=C1CO)NC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O 2356610054 TZJJTXFPLXKCLO-VKJIHXPQSA-N 422.387 -5.027 0 1 HAAF N=C1N[C@@H]2[C@@H](COC(=O)NS(=O)(=O)O)NC(=N)N3CC(O)(O)C(O)(O)[C@@]23N1 2356681089 GEQVLVSQKTUBFK-DASPXTJNSA-N 411.353 -5.708 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](C(=O)O)CC[C@H]12 31157010 RLCWEUBIDIWNEA-JACXBSBZSA-N 404.368 -2.057 0 1 HAAF O=C(O[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356440902 VJWJBEKMAHGPHV-PUXDMPTISA-N 416.379 -2.893 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1[C@@H](O)[C@H](O)[C@H]2CO 2356489762 JDBBFQGXBSMMHP-GNJDXLIESA-N 422.383 -4.208 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H]1O 2356492033 VBMPVWBQCYKQHM-LFYDQECSSA-N 416.423 -2.491 0 1 HAAF O=C1c2ncn([C@H]3C[C@H](O)[C@@H](COP(=O)(O)O)O3)c2NC2=N[C@H](O)CCN12 58650243 KALRENSTRPIBON-JQCXWYLXSA-N 403.288 -1.413 0 1 HAAF in-vitro OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356516702 GZSQKOFXMZDKPV-LSHWXRCHSA-N 416.423 -2.490 0 1 HAAF COC(=O)C[C@H](C)C(=O)c1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1O 2356620632 ZVFWDSLLUZMSDS-YHFVPTNOSA-N 400.380 -1.047 0 1 HAAF COc1cc([C@@H](O)[C@H](O)CO)cc(OC)c1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356627078 VIKGCVPVRTWXMM-JNOUQKKASA-N 406.384 -2.731 0 1 HAAF COCC(=O)N1CCN(C(C)=O)C[C@H]1C(=O)N[C@H](Cc1cccnc1)C(=O)OC 25418706 FOVBNHIBIBYHAM-CVEARBPZSA-N 406.439 -1.012 0 1 HAAF biogenic N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@@H]1OC(=O)CCCC(=O)O[C@@H]1[C@@H](N)C[C@@H](N)[C@H](O)[C@H]1O 27305691 GATYOENSXFWZGM-OBZIFLSVSA-N 420.463 -4.460 0 1 HAAF OC[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 255213882 GTHIFXIHABRYRL-JMHLJOGMSA-N 416.376 -6.020 0 1 HAAF C=Cc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356554994 DZMYOBBWRZTUTA-FCSTYLMUSA-N 414.407 -2.028 0 1 HAAF CCCCCCO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]1O 16052534 FTONAEAQJAJCLK-LYVNYESWSA-N 410.460 -1.765 0 1 HAAF in-vitro C[C@H](N[C@@H](C(=O)O)[C@@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 27519101 UILSQVXVCCBDQF-MEWQQHAOSA-N 414.415 -1.248 0 1 HAAF O=S(=O)(O)OC[C@H]1O[C@H](O)[C@@H](OS(=O)(=O)O)[C@@H](OS(=O)(=O)O)[C@H]1O 33821342 GRHWGVDHRAZFMQ-URLGYRAOSA-N 420.348 -3.740 0 1 HAAF in-vitro NCCCCN[C@H](CCN)CC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49015890 QWWYIMOIEWLIOP-OZIGCIBSSA-N 408.507 -1.146 0 1 HAAF NC1=NC(=O)[C@H]2C(CN[C@@H]3C=C[C@H](O)[C@H]3O)=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=N1 238784885 DEPYCKOJXDKIQJ-KEDCLPNNSA-N 409.399 -4.256 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2[C@@H]3[C@]1(O)O[C@]14C(=O)N(C)C5=CC=C[C@H](C[C@H](C2(C)C)[C@@]31O)[C@@H]54 2356717095 GUZVDQAQJRGKEH-FPBACBNRSA-N 416.430 -1.324 0 1 HAAF CC[C@H](O)c1ccc(O[C@@H](CO)CO[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c(OC)c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endogenous,in-man Cc1cn([C@@H]2C[C@@H](O)[C@@H](Cn3nncc3Cn3ccc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 31895582 IAKYOCQVAMMWCY-BZPMIXESSA-N 417.382 -2.317 0 1 HAAF C[S@](=O)c1nc(N)c2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2n1 49089272 YJIBFSDNXPFNSJ-AIHZUPISSA-N 409.317 -2.126 0 1 HAAF N=C(N)NC[C@@H]1O[C@H](O[C@@H]2O[C@H](CNC(=N)N)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@H]1O 299804936 RYSDKXFWOGEMJS-CTBQYCJASA-N 424.411 -6.416 0 1 HAAF Nc1ncnc2c1c(-c1ccccc1)nn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O 1857582534 LNVJDFSKZSJHOC-RVXWVPLUSA-N 422.423 -1.085 0 1 HAAF CC(C)NC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@H]2[C@@H]1O 2356288837 LNLUSVBOSBSQIQ-CNRIWFPOSA-N 419.500 -1.373 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)C[C@@]12O 2356432661 IKSXXSBNUQXFLT-ATFDOZGWSA-N 406.384 -3.036 0 1 HAAF OC[C@H]1O[C@H](Oc2ccc(O)cc2)[C@@H](O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)[C@H](O)[C@H]1O 2356451070 SEZVUDWLTCREHG-DOONRTOASA-N 404.368 -2.964 0 1 HAAF N=C1N=C2[C@H](C(=O)N1)C(CN[C@@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 2356540999 DEPYCKOJXDKIQJ-SGDNNRSUSA-N 409.399 -4.046 0 1 HAAF O=P(O)(O)O[C@@H]1[C@@H](F)[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O 13557563 DQKWTOBKSULEKU-UZAAGFTCSA-N 422.084 -2.506 0 1 HAAF NC(=O)N[C@@H](CC[C@@H](N)C[C@@H]1O[C@H](n2cnc3c(N)ncnc32)C[C@@H]1O)C(N)=O 33856034 YMZIVNTXFCXHQI-NMUGVGKYSA-N 407.435 -1.923 0 1 HAAF in-vitro O=C(C=Cc1ccc(O)cc1)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@H](O)[C@@H](O)[C@@H]1O 2356285119 OMFHKRCSRGUKRK-HUGQBSPZSA-N 406.365 -1.424 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356819857 FFVMFYBQZCFBPR-TVKIFZMRSA-N 416.380 -5.590 0 1 HAAF C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)[C@@H](C)O 26493139 DSBPAFWXMCKFIM-TVQXOTEMSA-N 414.459 -2.373 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@H](C[S@@](=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O 58512383 UCALNDAYBFUTCI-NXNWBLTGSA-N 400.417 -2.422 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)O[C@@H]1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H](O)[C@H]1O 238762071 OMFHKRCSRGUKRK-CIDNPRDCSA-N 406.365 -1.424 0 1 HAAF CCNC(=O)C(=O)NC[C@@H](O)[C@@H](O)[C@@H]1O[C@@](OC)(C(=O)O)C[C@H](O)[C@H]1NC(C)=O 473087909 GKRQRHATGSWFKL-BKAJDAITSA-N 421.403 -3.958 0 1 HAAF Cn1cc(CNC(=O)C[C@@H]2C[C@@H]3O[C@H](CNC(=O)N4CCOCC4)[C@@H](O)[C@H]3O2)cn1 2356293128 CGZPXYMUZQXMPB-DTJSUFBGSA-N 423.470 -1.246 0 1 HAAF Cc1cn([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)CP(=O)(O)O)O2)c(=O)[nH]c1=O 36443286 ANERRGBVLOSHPI-DJLDLDEBSA-N 400.217 -1.169 0 1 HAAF CC(C)C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@]15[C@]23[C@H](O)[C@@H]1OC(=O)[C@H](C)[C@H]14 2356781944 CBAUUWCEZZNYTD-NUHMTKOMSA-N 424.402 -1.514 0 1 HAAF CCNC(=O)c1cnn(-c2nc(NC)c3ncn([C@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 13582894 RCTSETQTWYCFHZ-JRFJBVBDSA-N 418.414 -1.585 0 1 HAAF CO[C@]1(C(=O)O)C[C@H](OC(C)=O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)COC(C)=O)O1 58655600 PJCATKAGSUTUJA-NVWMEEMDSA-N 407.372 -2.076 0 1 HAAF in-vitro Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2OC[C@@](O)(CO)[C@H]2O)occc1=O 82123202 CBJAQHYTVQOHMO-RTGJHNQTSA-N 420.367 -3.408 0 1 HAAF COc1cc2c3c(c1)O[C@@]1(CN([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)C(=O)NC1=O)[C@@H](C2)C3=O 587438847 RPYVWRJIVDKWHT-ALLIJHMDSA-N 420.374 -1.828 0 1 HAAF C[C@H](O)CO[C@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 2356699600 YASQSQYNAKRYLD-XMFCQFCZSA-N 400.377 -4.992 0 1 HAAF CC(=O)c1cccc(N[C@@H]2[C@H](N)[C@](NC(=O)N(C)C)([C@H](C)O)[C@@](C)(O)[C@@]2(O)CO)c1 2356808687 ZBMYQXMIVFKMOG-SEXNRBKUSA-N 424.498 -1.124 0 1 HAAF NC[C@H]1O[C@@H](O[C@@H](CO)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27562486 CSZXHEFWJRKHDV-SJKWGPLLSA-N 405.360 -5.061 0 1 HAAF N=C(N)NCCC[C@@H](NC(=O)CNC(=O)c1ccc(S(N)(=O)=O)cc1)C(=O)O 27640396 PINIUPKYFNDRJB-LLVKDONJSA-N 414.444 -2.104 0 1 HAAF NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)CCC(=O)O)C(=O)O 34355548 LVCHEMOPBORRLB-VWYCJHECSA-N 403.436 -2.373 0 1 HAAF biogenic NC(=O)C1=CN(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)C=CC1 100026456 IWUBAFKLVBNXPN-IHRRRGAJSA-N 418.454 -2.185 0 1 HAAF O=P(O)(O)O[C@H]1[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@H]1OP(=O)(O)O 3869998 MMWCIQZXVOZEGG-OERXTPQHSA-N 420.093 -3.484 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(CCN1CCCCC1)c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27107553 LRVDIWDBHQPMSK-SDBHATRESA-N 410.431 -2.434 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCc2cn([C@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)nn2)cc1 28814967 FBBVGKUOXFKGAI-CXTNEJHOSA-N 413.412 -2.533 0 1 HAAF CC(C)[C@H](NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O 39830376 WYKXJGWSJUULSL-AVGNSLFASA-N 410.479 -1.747 0 1 HAAF CC(=O)c1c(O)cc(O)c([C@@H]2O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O[C@@H]2CO)c1O 2356529320 BOPNBEMHPYANDR-FXTKWGCLSA-N 402.352 -1.738 0 1 HAAF CC(=O)O[C@H]1C[C@@H]2C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@H]1C 70454596 PYRKTZSRUCICCL-DSXBNBRZSA-N 418.395 -1.668 0 1 HAAF O=C(O)CNCc1cn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O 96095257 GYYYHBVNJWAMMS-PNHWDRBUSA-N 411.260 -3.561 0 1 HAAF in-vitro C[C@@H](O)C=C[C@@]1(O)[C@H](C)[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)CC1(C)C 2356316100 DADZWQMIHPKXIG-UAWSVCPWSA-N 406.472 -1.734 0 1 HAAF O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 587616609 KWUSOKWHHHTOJV-MONJMWIZSA-N 422.386 -1.481 0 1 HAAF COc1ccc2c(c1OC)[C@](CO)([C@@H](O)[C@H](O)[C@H](O)[C@H](O)CO)N(C)[C@@H](C)C2 962633604 KFFIFDYZNYDZKO-MRQJIMHCSA-N 401.456 -1.796 0 1 HAAF O[C@@H]1[C@@H](OCc2ccccc2)O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O 1857622144 WOGBNISMMIOPAZ-KBHJQFDHSA-N 402.396 -2.534 0 1 HAAF OC[C@@H]1O[C@@H](Oc2ccccc2)[C@H](O)[C@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356335784 CXWJIAWZHVBJLG-UYYXNGPQSA-N 418.395 -3.311 0 1 HAAF Cc1cn([C@H]2C[C@H](O)[C@@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 1652916 CWODJSMVWRIQCA-DMDPSCGWSA-N 418.370 -2.922 0 1 HAAF NS(=O)(=O)c1ccc(C(=O)NCC(=O)NCC(=O)N2CCC[C@@H]2C(=O)O)cc1 27643903 GJFLDWMQUYYZHH-GFCCVEGCSA-N 412.424 -1.744 0 1 HAAF CCCC(=O)N[C@@H]1[C@@H](CO)O[C@@H](O[C@@H]([C@H](O)CN)[C@H](N)[C@H](O)CO)[C@H](O)[C@H]1O 238761081 MYZPFWFUSVUBQI-IEYNYMGESA-N 411.452 -4.904 0 1 HAAF C[C@@H]1O[C@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 238768903 SMUMBCREXHTKFN-NWFRTMGQSA-N 416.423 -2.145 0 1 HAAF COCC(=O)N[C@@H]1C[C@H](Cn2cc(CN3CCS(=O)(=O)CC3)nn2)[C@@H](O)[C@@H]1O 2356290492 UWRPZULVXGRPTQ-UIBBOPPKSA-N 417.488 -2.619 0 1 HAAF COc1cc([C@@H]2OC[C@@H]3[C@H]2CO[C@@H]3O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356347323 GGKZZQZVFIZFKS-TVTWJZIPSA-N 414.407 -1.123 0 1 HAAF COc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356731324 IRQXUICHPFAQII-QDRMNVNKSA-N 418.395 -2.661 0 1 HAAF Cc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@H]2O)occc1=O 2356812945 CBJAQHYTVQOHMO-PBFFOJLOSA-N 420.367 -3.408 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@@H](OC1=O)[C@@]35[C@H]2O 53683690 KDKROYXEHCYLJQ-BDADRTIVSA-N 424.402 -1.514 0 1 HAAF world OC[C@@H]1O[C@@H](O[C@@H]2[C@H](CO[C@@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)O[C@@H](O)[C@H]2O)[C@@H](O)[C@@H]1O 100829899 FHLVHZWPBBNFQR-AZGIGFKASA-N 414.360 -5.656 0 1 HAAF endogenous,in-man CN(C)C(=O)[C@@H](N)CCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 299856478 IWKYMNLVJNVWHH-LEJQEAHTSA-N 411.488 -1.434 0 1 HAAF C[C@@]1(O)[C@@H](O)C[C@@]2(O)C(C(=O)O)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356384130 LHBCCROHKSSFLG-ROBFPCJFSA-N 408.356 -4.009 0 1 HAAF OC[C@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 2356465355 ONUWJUACWORIMJ-ACZZKCBCSA-N 402.396 -2.534 0 1 HAAF CC(=CC=CC[C@H](C)[C@H](O)CC(=O)O)C(=O)OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 2356596444 IAQWGYFBKITHHC-VALKIAGGSA-N 406.428 -1.670 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 5543513 CWODJSMVWRIQCA-GVXVVHGQSA-N 418.370 -2.922 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)cc(C)c3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235809 UYRVEISKSYHHCC-OXSFYUKISA-N 409.439 -1.307 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](C(C)=O)[C@H]1CCO 238780713 ZHZLKLUSFUQKQE-GAENFNLHSA-N 406.384 -2.580 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H]2[C@@H]1C[C@H](O)O[C@H]2CO 2356689495 LFIATFJGPFQPKL-NFYMERMSSA-N 422.383 -3.452 0 1 HAAF Nc1ncnc2c1ncn2[C@@H]1O[C@H](CNC(=O)[C@H](N)Cc2cccnc2)[C@@H](O)[C@H]1O 199376367 NNFSZVLXJZKOJL-GBUDDTMKSA-N 414.426 -1.891 0 3 HAAF N[C@@H]1[C@H](O)[C@@H](OP(=O)(O)O)[C@@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 27989470 RHUZQIJSAKZPDO-WFCWIPFCSA-N 419.109 -3.517 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)C[C@@H](O)[C@]12O 238783395 MLTZHVBDDNOQNM-SUXXVOEXSA-N 406.384 -3.036 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3nc(Cl)c[nH]c-3n2)O[C@H]1[C@H](O)[C@H](O)CO 587236051 WWAXWGNCHBEHLE-JWXSIORTSA-N 417.806 -2.528 0 1 HAAF O=S(=O)(O)O[C@@H]1[C@@H](O[C@@H]2O[C@H]3CO[C@H]([C@@H]2O)[C@@H]3O)[C@H](O)[C@@H](O)O[C@@H]1CO 2356309236 OGFGYTRGDDWUKC-KKHLAFCZSA-N 404.346 -4.525 0 1 HAAF C[C@H]1CC(=O)[C@@H]2[C@H](C[C@@H]3CC=C[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)[C@@H]3[C@@H]2O)O1 2356332587 GIWJNVSEZIALFZ-AEIFMWKZSA-N 414.451 -1.509 0 1 HAAF CC(C)[C@H](C)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@@H]1O 2356870740 XUGDTGJBUKGWNF-FDBRRHGHSA-N 410.416 -2.915 0 1 HAAF OC[C@H]1O[C@@H](n2cnc3c(NN4CCC[C@H](O)C4)nc(Cl)nc32)[C@H](O)[C@@H]1O 26647557 JKQATMIEYXFKHM-TWBCTODHSA-N 400.823 -1.125 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1C=C[C@]2(O)CO 38321723 XJMPAUZQVRGFRE-MLTLJWKBSA-N 404.368 -3.258 0 1 HAAF biogenic,in-vitro C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)O 96095012 JMCUQXTXLJEQSY-XKNYDFJKSA-N 414.419 -3.870 0 1 HAAF in-vitro CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@@H]1O 2356529637 NXFAMUJIFSZJRY-QUEVPRLRSA-N 419.500 -1.372 0 1 HAAF CNc1nc(-n2cc(CN(C)C)nn2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 34800829 CRKZMZSQJYBAJR-SDBHATRESA-N 405.419 -1.878 0 1 HAAF CC(=O)OC[C@H]1O[C@@H](S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O 45301912 KEPSAHFFASUILI-HTOAHKCRSA-N 411.385 -1.642 0 1 HAAF CCO[C@H]1[C@H](O)[C@@](C)(O)[C@H]2[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C[C@@]12O 2356448695 MHYVWKYVYRJMMP-SDIXIAIISA-N 408.400 -3.449 0 1 HAAF O=P(O)(O)OC1[C@@H](OP(=O)(O)O)[C@H](O)C(O)[C@@H](O)[C@H]1OP(=O)(O)O 4556578 GKDKOMAJZATYAY-WWHKVMGRSA-N 420.093 -3.484 0 1 HAAF Cc1cc2c(c(CO)c1CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(=O)[C@@H](C)[C@@H]2O 31519696 QUCQWGWEDCGWFJ-NLKQLHMRSA-N 412.435 -1.288 0 1 HAAF biogenic,in-vitro C[S@](=O)c1nc(N)c2ncn([C@H]3[C@H](O)[C@H](O)[C@]4(COP(=O)(O)O)C[C@H]34)c2n1 95559303 RMRRMPNKZOUNCK-PNFNVIOZSA-N 419.356 -1.462 0 1 HAAF COc1cc(O)c2c(c1O)O[C@@H](O)[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2=O 2356406199 PQRKVWODCPXGQL-UTSTWSBKSA-N 404.324 -2.815 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(CO)=CC[C@@]12O 2356542013 LDBMLOLBWUOZGG-FLROWBAMSA-N 404.368 -3.114 0 1 HAAF CC(=CC=CC[C@H](C)[C@H](O)CC(=O)O)C(=O)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356731337 JWAGJGCOOSEMAU-QOEUEVGXSA-N 404.412 -1.306 0 1 HAAF C[C@@H]1CC[C@]2(O)[C@@]3(C)C[C@@]4(O)O[C@@]2([C@@H]1O)[C@]1(O)[C@]4(C)[C@@](O)([C@H](C)CO)C[C@@]31O 257472988 LIGPZBKBGCJTGC-GSALNRPVSA-N 400.468 -1.379 0 1 HAAF endogenous,in-man OC[C@H]1O[C@H](O[C@@H]2CO[C@H](OCc3ccccc3)[C@@H](O)[C@@H]2O)[C@@H](O)[C@H](O)[C@H]1O 2356521974 SKUMUKAMXQEGMM-DAGFCXRUSA-N 402.396 -2.534 0 1 HAAF NCCCC[C@H](NC(=O)[C@@H](CCC(N)=O)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O 2356839495 LVCHEMOPBORRLB-AXFHLTTASA-N 403.436 -2.373 0 1 HAAF Cc1c(CCO[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(CO)cc2c1C(=O)[C@@H](C)[C@@H]2O 95914612 LRNTYOVTZADMMX-NLKQLHMRSA-N 412.435 -1.288 0 1 HAAF biogenic,in-vitro COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)[C@H](O)[C@H]2C 136166571 QDEYKGKBMCIYCT-FNUQUBLCSA-N 406.384 -3.180 0 1 HAAF C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3ccccc3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O 238764625 ZMVYDQYHQHSHAJ-GYFNHIKNSA-N 418.395 -2.577 0 1 HAAF CN[C@@H]1[C@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@]1(O)NC(C)=O 2356535824 AZMAMVNEQRREQB-DOPJCZHKSA-N 403.480 -3.194 0 1 HAAF COc1cc(C=CCO[C@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356739080 ZNCIFZQZRARGRD-QTYFOHBRSA-N 416.423 -1.392 0 1 HAAF CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)O 66157501 SBSGEUBHXXHNBQ-RWRJDSDZSA-N 404.420 -2.616 0 1 HAAF COC[C@@H]1O[C@@H](OC)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 95565416 PPECGRUIPSBHLB-SVTOHCLSSA-N 411.404 -3.945 0 1 HAAF C[C@]1(O)[C@@H](O)C[C@]2(O)C(C(=O)O)=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 238745422 LHBCCROHKSSFLG-GOOHFMKLSA-N 408.356 -4.009 0 1 HAAF C[C@H]1O[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1O 2356437605 ZMVYDQYHQHSHAJ-VAVUTYCESA-N 418.395 -2.577 0 1 HAAF CC[C@H](O)CC[C@H](C)O[C@H]1O[C@H](COC(=O)[C@@](O)(CC)[C@H](C)O)[C@H](O)[C@@H](O)[C@@H]1O 2356583519 WCDGAIFTRLPECT-YKKJBGMQSA-N 424.487 -1.185 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(C/C=C/c1ccccc1)c(=O)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 27179722 NURJUESNUGNUFN-URAQOHNESA-N 415.406 -1.207 0 1 HAAF COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@H]3COC(=O)C3)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 238786131 BTCMNPWDMQYXQL-MHKNIRLBSA-N 414.363 -1.303 0 1 HAAF N[C@H]1[C@H](OP(=O)(O)O)[C@H](O)[C@H](O)[C@@H](OP(=O)(O)O)[C@@H]1OP(=O)(O)O 13557566 PKGGDGUSXBIFHM-UZAAGFTCSA-N 419.109 -3.517 0 1 HAAF COC(=O)C[C@H](O)[C@H](C)C/C=C/C=C(\C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238785291 MYZLBXWHUBXEBR-FTSUSBSGSA-N 418.439 -1.218 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 257566292 VLAZYPZGDJXPDY-JDKVZPPZSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man Nc1ccn([C@@H]2O[C@H](CNCc3cnc(N4CCOCC4)s3)[C@@H](O)[C@H]2O)c(=O)n1 61922373 QDKOGPOWQXSQHM-NMFUWQPSSA-N 424.483 -1.472 0 3 HAAF OC[C@@H]1O[C@@H](OC[C@@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H]1O 257566294 VLAZYPZGDJXPDY-RAANJCBXSA-N 402.396 -2.534 0 1 HAAF endogenous,in-man NCC(=O)O[C@@H]1[C@H](COP(=O)(O)O)O[C@H](n2cnc3c(N)ncnc32)[C@@H]1O 2356343312 LPXHMYZVWBYXCR-LIUNCGPYSA-N 404.276 -2.353 0 1 HAAF C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 2356634598 KGDOTJVAFOIYCT-IEDNOOKHSA-N 416.423 -2.145 0 1 HAAF Nc1nc(N(CC(=O)O)CC(=O)O)c2ncn(CCOCP(=O)(O)O)c2n1 40938819 CWMKLICWGIFSOD-UHFFFAOYSA-N 404.276 -1.464 0 1 HAAF C[C@H](O)C=C[C@]1(O)C(C)(C)C[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)C[C@]1(C)O 2356632781 SGUOENJPMRQEMJ-WLMDSDQSSA-N 406.472 -1.589 0 1 HAAF COc1ccc(C(=O)N2CCN(C(=O)CN)[C@H](C(=O)N[C@@H]3CCCNC3=O)C2)cc1 25431250 QPBJHHRNAJJZRY-CVEARBPZSA-N 417.466 -1.298 0 1 HAAF biogenic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in-vivo O=P(O)(O)O[C@H]1[C@H](O)[C@H](OP(=O)(O)O)C[C@@H](O)[C@H]1OP(=O)(O)O 169342879 GHYKQXTYUPPQMF-UKFBFLRUSA-N 404.094 -2.454 0 1 HAAF C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@@H]4OC(=O)[C@H](O)[C@@]45[C@H](C(C)(C)C)[C@@H](O)[C@H](OC1=O)[C@@]35[C@H]2O 169728849 KDKROYXEHCYLJQ-YTJRIZTQSA-N 424.402 -1.514 0 1 HAAF C[C@H]1O[C@@H](OCc2ccccc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c2[nH]c(N)nc(=O)c2N1 59211716 SWJBYJXTNZNTIR-AFEWTXDRSA-N 403.392 -3.876 0 1 HAAF in-vitro COc1cc2c3c(c1)O[C@@](CN1CCOCC1)([C@@H](O)[C@H](O)[C@H](O)CO)[C@@H](C2)C3=O 587445860 YNJQYALNIUZCJA-VCCNMJPESA-N 409.435 -1.411 0 1 HAAF CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@H]2[C@@H]1O 2356529635 NXFAMUJIFSZJRY-CNRIWFPOSA-N 419.500 -1.372 0 1 HAAF CCC=CCCO[C@H]1O[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356604314 XVEQZCCPXIQRBX-ATFKWZTJSA-N 424.443 -3.017 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@H](O)[C@@H](O)[C@@]12O 2356631701 LGTHGFVYOAZGBN-KFQHUVQCSA-N 422.383 -4.065 0 1 HAAF CN1CC[C@H](CC(=O)N[C@H]2C=C[C@H](n3ccc(N)nc3=O)O[C@@H]2C(=O)O)NC1=N 4095670 NXYZPLILSHUEBR-QOBDMFJFSA-N 405.415 -1.533 0 1 HAAF in-vitro Cc1c(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O[C@@H]2OC[C@@](O)(CO)[C@@H]2O)occc1=O 2356812943 CBJAQHYTVQOHMO-BGGQELKSSA-N 420.367 -3.408 0 1 HAAF NCCCCN[C@H](CCN)CC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 13742156 QWWYIMOIEWLIOP-URQYDQELSA-N 408.507 -1.146 0 1 HAAF O=P(O)(O)O[C@H]1C[C@H](OP(=O)(O)O)[C@H](OP(=O)(O)O)[C@H](O)[C@H]1O 27896856 GFBCCYAUTYOZMC-XKTQNOIPSA-N 404.094 -2.454 0 1 HAAF COc1cc(C)c2c(=O)cc([C@H](O)CO)oc2c1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 238749899 XLAAFUIQGACOIR-XLQBXDQJSA-N 412.391 -1.349 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(C)=C[C@H](O)[C@@]12O 238752381 WUZGENDUAYSYJW-OONZBJFNSA-N 404.368 -3.116 0 1 HAAF CC(C)(O)[C@]12OC(=O)C[C@H]1[C@](C)(O)[C@@H]1CC[C@@H]3[C@@H](O)[C@@]1([C@H](O)[C@H]2O)[C@@H](O)[C@@]3(C)O 1857555230 MNPGUEWCPSOTJC-HRANBIPCSA-N 416.467 -1.955 0 1 HAAF C[C@@H]1O[C@H](OC[C@@H]2O[C@H](C(=O)c3ccco3)[C@H](O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356416160 KAXDLRWJSRWBER-WKXLPOPBSA-N 404.368 -2.844 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]12 238758614 CAFTUQNGDROXEZ-LCBAXBMVSA-N 406.384 -2.893 0 1 HAAF Nc1ccn([C@@H]2O[C@H](C(=O)N3CCN(C(=O)C(F)(F)F)CC3)[C@@H](O)[C@H]2O)c(=O)n1 199713993 CNHOVPFBYUNMOM-MIZYBKAJSA-N 421.332 -2.322 0 3 HAAF NS(=O)(=O)[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 45254828 DDOHHRUODNXYAC-XLOQQCSPSA-N 405.378 -6.101 0 1 HAAF C[C@H](N)C(=O)O[P@@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 58650238 ISYFCRWDMNBLTM-MACXSXHHSA-N 418.303 -1.965 0 1 HAAF in-vitro C[C@@H]1C(=O)O[C@@H]2[C@H]1[C@@]13O[C@H]4OC(=O)[C@H](O)[C@]45[C@H](C(C)(C)C)[C@@H](O)[C@H](OC1=O)[C@@]35[C@H]2O 95607780 KDKROYXEHCYLJQ-WXJSMQSNSA-N 424.402 -1.514 0 1 HAAF C[C@@H]1CN1C[C@H](O)C[C@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 253637126 ZFLQPYGPDPYNQY-KJJNLANMSA-N 407.504 -1.798 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@@]5(O)C(=O)OC[C@@]34[C@@H]5[C@]2(C)[C@@H](O)[C@H](O)C1 2356337257 WTELTUSRXDOCFZ-KPDDZKICSA-N 410.419 -1.604 0 1 HAAF CCCCCC(=O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC[C@@H](O)[C@H](O)CO)O[C@@H]1COC(C)=O 2356348695 BHPCCHVIWJGPMD-GXHBJDNTSA-N 424.443 -1.781 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCc3ccc(O)cc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O 2356735275 LSQQDUHRCLZVLW-NYAKCOCZSA-N 418.395 -2.826 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)C[C@@](O)(c2nc3cc(C)c(C)cc3[nH]2)O[C@H]1[C@H](O)[C@H](O)CO 587235261 JHOGRJDVNOQOCI-DPIHELBLSA-N 409.439 -1.307 0 1 HAAF O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356345543 UJXBXUSHOWRLIG-WIRUSPIRSA-N 422.276 -5.893 0 1 HAAF CC[C@@H](CCO[C@H]1O[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)C 2356479450 QJQOVJJFDMZWSM-MPONXMGMSA-N 424.487 -1.662 0 1 HAAF Nc1n[nH]c(=O)c2c1c(I)cn2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 27304782 SFEJDVWRGQKIIY-NUZVFBNFSA-N 408.152 -1.477 0 1 HAAF C[C@H](O)/C=C/[C@]1(O)C(C)(C)C[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)C[C@@]1(C)O 100782602 SGUOENJPMRQEMJ-DXVPGNFHSA-N 406.472 -1.589 0 1 HAAF endogenous,in-man CC(C)(C)[C@@H]1C[C@@H]2OC(=O)[C@]34O[C@@H]5OC(=O)[C@H](O)[C@@]15[C@@]23C[C@@H]1OC(=O)[C@](C)(O)[C@@]14O 253695064 CXKDMDVEHLPRGY-CDYXSNLLSA-N 424.402 -1.225 0 1 HAAF OC[C@@H]1O[C@H](OCc2ccc(O)cc2)[C@H](O)[C@H](O)[C@]1(O)[C@@H]1OC[C@](O)(CO)[C@H]1O 2356858969 TXMLRXCCKUXUSF-YNSXVIEXSA-N 418.395 -3.438 0 1 HAAF CO[C@@]1(NC(=O)[C@@H](Cc2ccc(O)cc2)NC(C)=O)CN(S(=O)(=O)O)C1=O 13368578 QYKSBKSLXVIAQF-DOMZBBRYSA-N 401.397 -1.457 0 1 HAAF biogenic COc1cc([C@@H](O)[C@@H](O)CO)cc(OC)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 28644234 VIKGCVPVRTWXMM-DTXLLHAPSA-N 406.384 -2.731 0 1 HAAF COC(=O)c1nn([C@@H]2O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]2O)c2ncnc(N)c12 1857605063 RMJQRYXNLIWVFQ-TZQXKBMNSA-N 404.361 -2.966 0 1 HAAF OCC(CO)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356595363 DLKZWXIGNSGWCS-UFHKFKKRSA-N 416.376 -6.020 0 1 HAAF COC(=O)c1nnn(C[C@@]2(C)[C@H](C(=O)O)[C@H]3C(=O)C[C@H]3S2(=O)=O)c1C(=O)OC 29240628 CJHINZCBCHTSOE-QBLMZHGOSA-N 415.380 -1.303 0 1 HAAF O=C(O)[C@@H]1O[C@H](O[C@H]2[C@@H](C(=O)O)O[C@@H](OP)[C@@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@@H]1P 95618000 FHVDTGUDJYJELY-LRFNEEDVSA-N 418.228 -3.515 0 1 HAAF in-man O=C(CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O)NCc1ccc2c(c1)OCO2 72135728 AMXQBPUPTPCXKW-BDQAWRDZSA-N 419.390 -1.019 0 3 HAAF COC(=O)/C(Br)=C\c1cc(=O)[nH]c(=O)n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49089720 SNJFEAYIWZTDDM-FANYTTGISA-N 407.173 -1.943 0 1 HAAF CN(C)CCNCc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)[nH]c1=O 169322270 UTBODEVPIGTDDR-QJPTWQEYSA-N 408.348 -2.055 0 1 HAAF O=C(OCc1occc(=O)c1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)c1ccc(O)cc1 238782871 HYWSNBPSCBWSHZ-YLUTUWDDSA-N 424.358 -1.119 0 1 HAAF NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1NC(=S)NC(=O)c1ccccc1 299814173 MIUNBHQVJPEDHM-UBEDBUPSSA-N 421.435 -1.280 0 1 HAAF CC(=O)O[C@]1(C)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)(O)[C@@H]3O)[C@@H]21 2356416916 KELLJUHWUXKGKO-NZISREIESA-N 422.383 -3.573 0 1 HAAF C[C@](O)(CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 13334908 LCIXUGGPLIEEGU-ALBJMUOFSA-N 424.402 -1.336 0 1 HAAF in-man CNc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O 71296710 AIHLUFHMTBEKOV-ZOQUXTDFSA-N 417.204 -1.870 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1O[C@H](C[S@@](=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@H]1O 169324349 UCALNDAYBFUTCI-GWQMPSMYSA-N 400.417 -2.422 0 1 HAAF C[C@H](N[C@H](C(=O)O)[C@H]1CCCN1C(=O)NCC(=O)O)C(=O)N1CCC[C@@H]1C(=O)O 253791968 UILSQVXVCCBDQF-WGBDABJCSA-N 414.415 -1.248 0 1 HAAF OC[C@@H]1O[C@@H](O[C@H]2CO[C@@H](O)[C@H](O)[C@H]2O)[C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@H]1O 255218069 HNKQGVAGEKCKSR-XSGWIWBUSA-N 414.360 -5.656 0 1 HAAF C[C@H](O)C=C=C1C(C)(C)C[C@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@]1(C)O 2356421708 RPJREIHZBZFGOB-SKKBMVOKSA-N 404.456 -1.824 0 1 HAAF Cc1cc(O)cc(O[C@H]2O[C@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356449682 UOVCYPNTMQKFJE-ACZZKCBCSA-N 418.395 -2.657 0 1 HAAF CCCNC(=O)NC[C@@H]1O[C@@H]2C[C@H](CC(=O)N3CCS(=O)(=O)CC3)O[C@@H]2[C@H]1O 2356529636 NXFAMUJIFSZJRY-KLUNEYRZSA-N 419.500 -1.372 0 1 HAAF COC(=O)CCCn1cc(CN2C[C@@H](N3CCN(C)CC3)CS2(=O)=O)nn1 96020934 RSZNIUPFBNNOEG-OAHLLOKOSA-N 400.505 -1.007 0 3 HAAF NC(=O)C[C@H](N)C(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)O 45374292 LRWAETQVFZPOQA-AVGNSLFASA-N 405.411 -2.413 0 1 HAAF CC(C)(O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)[C@@H]1CC[C@@]2(CO)[C@H](C1)C(=O)CC[C@H]2O 2356775991 SGQGOVXPGVVLHY-GIXGDLLPSA-N 418.483 -1.300 0 1 HAAF CN(O)NCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]1O 2356819859 FFVMFYBQZCFBPR-XSYIBMGTSA-N 416.380 -5.590 0 1 HAAF Cc1cn(C[C@H]2C[C@H](NC(=O)[C@H](N)Cc3ccc(O)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O 84359969 IEFPFZFXUAABSO-WCXIOVBPSA-N 418.450 -1.245 0 1 HAAF O=C(O)c1cc(O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O[C@@H]2OC[C@](O)(CO)[C@@H]2O)ccc1O 2356436474 MPMGCDBPHYSKLY-ROODBMQMSA-N 418.351 -2.627 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](CO)O[C@@H](O)C[C@@H]12 2356689498 LFIATFJGPFQPKL-ZIHKCSFLSA-N 422.383 -3.452 0 1 HAAF N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)O)[C@H]1[C@H](O)[C@]2(O)CO[C@H]([C@H]2O)N1O 100878133 JOBDOAKLPNMGKV-NJCRZQKWSA-N 413.383 -3.286 0 1 HAAF Nc1ncnc2c1ncn2[C@H]1C[C@@H](CS(=O)(=O)CC[C@@H](N)C(=O)O)[C@@H](O)[C@@H]1O 169328083 WEJCSEDKUUEPSC-ORZSEXNPSA-N 414.444 -2.092 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OCc3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 238768384 VLAZYPZGDJXPDY-FKFRMCCMSA-N 402.396 -2.534 0 1 HAAF CCCCC[C@H](C)O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O 299825415 CMNGMGGJQXLNNS-BJNPHDPWSA-N 410.460 -1.765 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C(=O)O 2356459154 APGVKQBABWXTCS-DJZOQMLJSA-N 420.367 -3.086 0 1 HAAF CC(=O)O[C@@]12COC=C[C@]1(O)[C@@H](O)C[C@]2(C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356751393 BHHBWNXFHDILDX-DFADMCTPSA-N 406.384 -3.097 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)[C@@H]2[C@@]1(O)C[C@@H](O)[C@@]2(C)O 141533820 VFYACENSDOLJGQ-XVWOCBMGSA-N 422.383 -3.921 0 1 HAAF CC(=O)O[C@@H]1[C@]2(C[C@H]3N4C(=O)[C@@H]5CO[C@@]4(C[C@@]13O)C(=O)N5C)O[C@H](C)C(C)(C)C2=O 238755219 OCOGVDWCHPHWSN-CZRFJOLKSA-N 422.434 -1.026 0 1 HAAF Cc1cc(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c2oc(C[C@H](C)O)cc(=O)c12 1857539953 OLVBSGKBAQUEDC-SBVHACPMSA-N 412.391 -1.091 0 1 HAAF CN[C@@H]1[C@H](OC)[C@H](O)[C@H](N)[C@H](O[C@@H]2OC([C@H](C)N)=CC[C@@H]2N)[C@@]1(O)NC(C)=O 2356535827 AZMAMVNEQRREQB-WMIGOSMVSA-N 403.480 -3.194 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)C[C@H](O)[C@H]12 136055120 RIBQJGUEBPBXHM-ZWJRZVIOSA-N 406.384 -3.178 0 1 HAAF C[C@H](C=C[C@]1(O)[C@H](CO)CC(=O)CC1(C)C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606219 HNFCTWJBJGEYGD-UFBYEYOYSA-N 404.456 -1.524 0 1 HAAF COC(=O)C1=C2C[C@H](O)[C@H](C)[C@H]2[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H]1OC 2356389297 PSQQPRMLISSRFV-AKLDOGLMSA-N 420.411 -2.382 0 1 HAAF CC(=O)OC[C@H]1O[C@H](O[C@@H]2OC=C(C(=O)O)[C@H]3C[C@@H](O)[C@H](C)[C@@H]23)[C@@H](O)[C@H](O)[C@H]1O 2356429826 JDYPLWLMGOKQLK-BTQBXPPXSA-N 418.395 -1.668 0 1 HAAF Cc1cccc(NC(=O)CNC(=O)[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)c1C 199400237 GCUWWERQXSNSML-UIBIWLFHSA-N 418.406 -1.472 0 3 HAAF Nc1nc2c(ncn2C(COCP(=O)(O)O)COCP(=O)(O)O)c(=O)[nH]1 38225617 HGFVDMDQWOKBNA-UHFFFAOYSA-N 413.220 -1.454 0 1 HAAF CO[C@]1(NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21 39399025 NLRQZPPGJODQAH-PVJOKMEKSA-N 403.413 -1.726 0 1 HAAF biogenic CC(=O)NC1(C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC2(C(N)=O)CCCC2)CCC1 149751383 UJCSGVNIMHKNHC-ZDUSSCGKSA-N 423.518 -1.292 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(CO)=CC[C@@]12O 238752471 LDBMLOLBWUOZGG-SOOQRGJLSA-N 404.368 -3.114 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2C(CO)=C[C@@H](O)[C@@H]12 238782424 WSGPLSDARZNMCW-IEOZPWLASA-N 404.368 -3.258 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CO 2356530420 DPORNVNPTRLCKZ-RARGQPMTSA-N 422.383 -4.064 0 1 HAAF C[C@](O)(CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 15104588 LCIXUGGPLIEEGU-WCCITCIBSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@H](C)O[C@H](O)C[C@H]12 238760512 YTZSBJLNMIQROD-UUCJAIHRSA-N 406.384 -2.424 0 1 HAAF CS(=O)(=O)N1CCN(C(=O)c2cccnc2)C[C@H]1C(=O)N[C@H]1CCCNC1=O 5413797 WYEOXGDOZIGDCA-KBPBESRZSA-N 409.468 -1.438 0 1 HAAF biogenic C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)O 26492842 RTHIXWGHVPOICE-MOLYVOAJSA-N 400.432 -2.762 0 1 HAAF COC(=O)[C@H](C)NC(=O)[C@H](CCCCNS(C)(=O)=O)NC(=O)[C@H](C)NC(C)=O 64417316 GODAQVMWJSVXNR-GVXVVHGQSA-N 422.504 -1.607 0 1 HAAF C[C@H](/C=C/[C@@]1(O)[C@H](CO)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 66157150 HNFCTWJBJGEYGD-DZDMONCLSA-N 404.456 -1.524 0 1 HAAF CC(=O)N[C@@H]1[C@@H](NC(=O)N[C@@H](C)C(=O)O)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO 84714268 AWXLDEQPMBKAGQ-VGMNNNIBSA-N 405.360 -3.287 0 1 HAAF O=P(O)(O[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O 219964997 DCDHSOINTWUWCZ-BTLHAWITSA-N 422.276 -5.280 0 1 HAAF in-vitro Cc1cc(N)c2c(c1)C(=O)C[C@]1(CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C(=O)NC1=O)O2 587396630 UYHSTZRGTLOOMY-VTRIPGNTSA-N 407.379 -1.728 0 1 HAAF CC(=O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@]2(O)[C@@H]34)C(=O)N5 2356670026 XQCRMAWEEAMNOR-AENSEXJCSA-N 400.387 -1.016 0 1 HAAF O[C@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O[C@H]1O[C@@H](CO[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H]1O 86005489 RBNRMSRJWILJMU-BIVHJGPBSA-N 414.360 -5.656 0 1 HAAF in-man C[C@@H](/C=C/[C@@]1(O)[C@H](CO)CC(=O)CC1(C)C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 136164783 HNFCTWJBJGEYGD-XWBZBGDDSA-N 404.456 -1.524 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@@H](CO)C[C@H](O)[C@@H]12 238764125 RIBQJGUEBPBXHM-QOBBUGDNSA-N 406.384 -3.178 0 1 HAAF CC(=O)OC[C@H]1O[C@@H](OC[C@@H](O)CO)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=O 2356487905 QQMKBKAGKNLWMX-QROFKTNTSA-N 422.383 -1.561 0 1 HAAF C[C@]1(O)[C@H]2[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)OC=C(C(=O)O)[C@H]2[C@H](O)[C@H]1O 2356854348 RNTVODVKVMKBPF-KAZVOXKNSA-N 408.356 -4.154 0 1 HAAF N[C@@H]([C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)[C@@H]1N[C@H](C(=O)O)Cc2cccc(F)c21 962892761 GVZIXMKYMYCBPV-DKJIJZLBSA-N 424.318 -2.015 0 1 HAAF N[C@@H](CSC(=O)Nc1ccccc1)C(=O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356538477 FRNMQWSWCDBITJ-PLXWNWTRSA-N 402.425 -1.378 0 1 HAAF Oc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356572770 NOUKECIOLFROLB-SKZVRTAASA-N 404.368 -2.966 0 1 HAAF C=Cc1ccc(O[C@@H]2O[C@@H](CO[C@H]3OC[C@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@H](O)[C@@H]2O)cc1 14829587 DZMYOBBWRZTUTA-OCCQUJFMSA-N 414.407 -2.028 0 1 HAAF endogenous,in-man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n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 584905270 ZDIZXAAADLAUDS-BRZDOZMNSA-N 423.474 -1.022 0 1 HAAF in-vitro Nc1ncnc2c1ccn2[C@@H]1O[C@H](CO[P@](=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O 1857604898 JUUIOPQLZSNPDZ-MFYTUXHUSA-N 424.243 -1.030 0 1 HAAF CC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(N)=O 1911577374 FZFVOYMHYFRZGS-IHRRRGAJSA-N 415.491 -1.404 0 1 HAAF CC(=O)CC[C@H](C)O[C@@H]1O[C@H](C)[C@H](O)C[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356344969 HFJWZOCWIUZTNY-VIQNWTSNSA-N 408.444 -1.558 0 1 HAAF CC(=O)O[C@]1(C)C[C@H](O)[C@]2(O)C=CO[C@H](O[C@@H]3O[C@H](CO)[C@H](O)C(O)(O)[C@H]3O)[C@@H]21 2356416915 KELLJUHWUXKGKO-FKEKCDIVSA-N 422.383 -3.573 0 1 HAAF Cc1cc2c(c(CO)c1CCO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C(=O)[C@H](C)[C@H]2O 2356435873 QUCQWGWEDCGWFJ-WPNLHDCKSA-N 412.435 -1.288 0 1 HAAF COC(=O)[C@H](NC(=O)C1=C[C@H](NC(=O)COCC(=O)O)[C@@H](O)[C@H](O)C1)C(C)C 2356838116 LQKMEMWVDDAXTM-RBDSIQFVSA-N 402.400 -2.062 0 1 HAAF NC(=O)[C@H](CC(=O)O)NC(=O)C1=C[C@H](NC(=O)Nc2cccc(F)c2)[C@@H](O)[C@@H](O)C1 25193963 KUNULXMIJQHNHK-PWNZVWSESA-N 424.385 -1.188 0 1 HAAF biogenic COc1cc(O)c2c(c1O)O[C@H](O)[C@H](O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O)C2=O 2356406197 PQRKVWODCPXGQL-IMCHLSDASA-N 404.324 -2.815 0 1 HAAF Cc1ccc(CN=c2[nH]c3c(O)nc(=N)[nH]c3n2[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)cc1 2356739126 CJXDJSOFLXZYFQ-QZDOHJIMSA-N 402.411 -1.102 0 1 HAAF NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1NC(=S)NC(=O)c1ccccc1 17217715 MIUNBHQVJPEDHM-DVIHMLIVSA-N 421.435 -1.280 0 1 HAAF Cc1cc(O[C@@H]2OC[C@@](O)(CO)[C@H]2O)cc(O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356579664 HMITWBGYLIMQAJ-JCUQEQFFSA-N 418.395 -3.007 0 1 HAAF O=c1ccn([C@H]2[C@H](O)[C@H](O)[C@]3(CO[P@](=O)(O)OP(=O)(O)O)C[C@H]23)c(=O)[nH]1 13677754 BFWUJFNKDUGYMX-KAACBLBJSA-N 414.200 -1.954 0 1 HAAF COC(=O)C1=CO[C@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C1=C[C@H](O)[C@]2(C)O 238758444 KSQVTHWVSWYGNQ-MGESXJJKSA-N 404.368 -3.116 0 1 HAAF OCc1ccc(O[C@H]2O[C@H](CO[C@@H]3OC[C@](O)(CO)[C@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356404132 DHOHKRJHRNXWGD-DZEWJZRGSA-N 418.395 -3.178 0 1 HAAF C[C@H]1C(=O)O[C@]2(C(=O)O[C@H]3[C@@H](O[C@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)CO[C@]32O)[C@@H]1C 2356768590 SWEUUIPGSUQSBW-SUBZFUDQSA-N 420.367 -3.617 0 1 HAAF Nc1nc2ncc(CNc3ccc(C[C@H](O)[C@H](O)[C@H](O)CO)cc3)nc2c(=O)[nH]1 62612684 GDVDMDWPLBZFOX-GUTXKFCHSA-N 402.411 -1.475 0 1 HAAF in-vitro COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@@H]1[C@@H](O)C[C@]2(O)CO 2356532675 TZVOANVHPCUBIU-IGRGKOSDSA-N 422.383 -4.064 0 1 HAAF Nc1nc(SCC[C@@H]2COCCO2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 45291355 YMCJJBIBVPMGMO-NENBDWHOSA-N 413.456 -1.082 0 1 HAAF O=C(/C=C\c1ccc(O)cc1)OC[C@H](O)CO[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257509001 PADHSFRQMFRWLS-VBUVAGSQSA-N 400.380 -1.874 0 1 HAAF Cc1cc2c(c(C)c1CC(O)O)C(=O)[C@@H](C)[C@H]2O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356466824 UGOPGIWAZTVIOJ-GTHGKRGNSA-N 412.435 -1.153 0 1 HAAF OC[C@H]1O[C@H](OCCc2ccccc2)[C@@H](O)[C@H](O[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)[C@H]1O 2356492036 VBMPVWBQCYKQHM-YZFISVISSA-N 416.423 -2.491 0 1 HAAF CCCCN1[C@@H](CO)[C@@H](O)[C@H](O)[C@H](O)[C@H]1CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606329 LMSOOPJUZDCJRQ-YOTYMUFHSA-N 411.448 -4.269 0 1 HAAF O=C(O)[C@@H]1O[C@H](OC[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)C1=O 2356781458 BFQRXDLXCAJSSC-SSMWJKHJSA-N 418.311 -4.315 0 1 HAAF CC(=O)N[C@@H]1[C@@H](O)O[C@@H](CO)[C@@H](O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2NC(C)=O)[C@@H]1O 13348014 CDOJPCSDOXYJJF-YNIYPUAASA-N 424.403 -5.110 0 1 HAAF in-vitro N=C(N)Nc1ccccc1NC(=O)O[C@H]1C[C@@H](O)[C@H](NC(=N)N)C[C@@H]1NC(=N)N 28571040 MSIAZNKRPGSZGN-KXNHARMFSA-N 406.451 -1.233 0 1 HAAF NCCCC[C@H](N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O 31976773 IMAKMJCBYCSMHM-AVGNSLFASA-N 403.480 -1.509 0 1 HAAF biogenic CC[C@@H](C)[C@H](N)C(=O)N[C@H](C(=O)O)[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 48998487 VZCBWDDKSICCRV-JMYSWPCSSA-N 400.388 -2.901 0 1 HAAF C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O)[C@H](O)[C@H]1O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356450257 MZHBYHJOWQQUIV-GLRFDLDMSA-N 416.423 -2.145 0 1 HAAF NC1=NC(=O)[C@H]2N=C(c3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)CO[C@@H]2N1 169301154 FMDCGKMELCGRDQ-ZXIHIIQKSA-N 417.378 -1.307 0 1 HAAF CO[C@H]1[C@@H](N(C)C(=O)CN)[C@H](O)[C@H](O[C@H]2O[C@H]([C@H](C)N)CC[C@H]2N)[C@@H](N)[C@H]1O 169346096 BIDUPMYXGFNAEJ-CQOWDIKSSA-N 405.496 -3.585 0 1 HAAF O=C(N[C@@H]1CCCNC1=O)C1=C[C@H](NS(=O)(=O)c2cccs2)[C@H](O)[C@@H](O)C1 2356435020 OFAVHYGLWHYKLT-UHXUPSOCSA-N 415.493 -1.158 0 1 HAAF CO[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](OCCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356681629 AKEZYQDNPMFFCO-ORTHXZIUSA-N 416.423 -1.878 0 1 HAAF O=c1ccn(COCCOS(=O)(=O)NS(=O)(=O)c2ccccc2)c(=O)[nH]1 84689751 AXSNHVFPEWPAHC-UHFFFAOYSA-N 405.410 -1.249 0 1 HAAF OC[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC[C@H]3O[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O 95635569 OUGBMVAQMSBUQH-WVQFSJLXSA-N 414.360 -5.656 0 1 HAAF in-vitro O[C@H]1O[C@@H](OC[C@H]2O[C@H](OCc3ccccc3)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356354469 KDWQVNKGSDPRET-FMBVUJJKSA-N 418.395 -3.215 0 1 HAAF N=C1N=C2[C@H](C(=O)N1)C(CN[C@@H]1C=C[C@H](O)[C@@H]1O)=CN2[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 2356540994 DEPYCKOJXDKIQJ-ADXJPXSFSA-N 409.399 -4.046 0 1 HAAF CC(C)(O)[C@@H](O)C(=O)OCc1ccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1 2356560724 CHRIGVPNNGMWMG-RURKYGKJSA-N 402.396 -1.960 0 1 HAAF NC(=O)CNC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@H](NC(=O)Nc2ccc(F)cc2F)C1 33692366 ACNVPPJAAKGQSM-DDFXLWFNSA-N 402.354 -1.697 0 1 HAAF biogenic CC(=O)O[C@]1(C)C[C@@H](O)[C@]2(O)C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]21 38321661 CAFTUQNGDROXEZ-NINKYYIQSA-N 406.384 -2.893 0 1 HAAF CSCC[C@H](N)C(=O)NOC[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O 49112975 PBEQEZQSABWOIO-YJIKMKJUSA-N 413.460 -1.844 0 1 HAAF O=c1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]2O)c(=O)[nH]1 98209486 ZPVPRWPOZBXDKD-XVFCMESISA-N 404.161 -2.618 0 1 HAAF in-vitro C[C@H](O)[C@]1(O)C(=O)N2C(C)(C)[C@@H]3Cc4cccc5c4[C@]4(O[C@]1(O)[C@]2(O)[C@H]34)C(=O)N5C 2356568831 PQCKBAMPLOMUBD-FKYONUPRSA-N 416.430 -1.200 0 1 HAAF C[C@@H]1Cc2ccc(F)c(Br)c2[C@H]([C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO)N1 587828794 VJGXFLDVRZQQRX-RCJZCPNJSA-N 424.263 -1.040 0 1 HAAF C[C@H](NC(=O)[C@]1(O)C[C@H](O)[C@H](O)[C@@H](NC(=O)Nc2ccc(F)cc2F)C1)C(N)=O 2356606025 ZUEDMVNQYQGNTG-DDNPWJRJSA-N 416.381 -1.308 0 1 HAAF Cn1cccc1C(=O)N1CCN(S(C)(=O)=O)[C@H](C(=O)N[C@H]2CCCNC2=O)C1 5433672 IPCDNKHEPUKCNK-JSGCOSHPSA-N 411.484 -1.494 0 1 HAAF biogenic N[C@H](CCC(=O)N[C@@H](CNCC(=O)O)CSCCN1C(=O)C=CC1=O)C(=O)O 84403300 TXRKDNOJTOUSNJ-WDEREUQCSA-N 416.456 -2.004 0 1 HAAF CC(C)(COP(=O)(O)O)[C@H](O)C(=O)NCCC(=O)NCCSC(=O)CN 98208980 CGYKHWUDQZHKBD-LLVKDONJSA-N 415.405 -1.676 0 1 HAAF in-vitro O[C@H]1O[C@@H](CO[C@@H]2O[C@@H](CO[C@@H]3OC[C@@H](O)[C@@H](O)[C@@H]3O)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 100827393 ILEPOIYJHJQWCK-WINXXVKQSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2[C@H](C)[C@@H](O)[C@H](O)[C@H]12 2356478034 QDEYKGKBMCIYCT-GNJDXLIESA-N 406.384 -3.180 0 1 HAAF NC(=O)OCC1=C(C(=O)O)N2C(=O)[C@@H](NC(=O)CCC[C@H](N)C(=O)O)[C@H]2SC1 13366768 LSRDVUINCBDNAZ-LPBBDHJYSA-N 416.412 -1.598 0 1 HAAF Nc1nc(S(=O)(=O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48998110 XXABJEPVVSRKKB-SDBHATRESA-N 407.408 -1.147 0 1 HAAF CCN(c1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O)C(C)C 84619650 QCMFBBXPKJSHJL-SDBHATRESA-N 416.460 -1.100 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@H]2C(C)=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@H]21 2356375850 IXJKAIYQDPLVQL-YNGOISLZSA-N 404.412 -1.618 0 1 HAAF C[C@H](C=C[C@@]1(O)[C@@H](CO)CC(=O)CC1(C)C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356606218 HNFCTWJBJGEYGD-UBKUUIMLSA-N 404.456 -1.524 0 1 HAAF C[C@H](CC(C)(COC(N)=O)COC(N)=O)O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 238741767 GNJYITKRBXPECB-URKRFGABSA-N 410.376 -2.129 0 1 HAAF C[C@@H]1O[C@H](OCc2ccccc2)[C@@H](O[C@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]1O 238767528 KGDOTJVAFOIYCT-LQXUHLNJSA-N 416.423 -2.145 0 1 HAAF CCC[C@@H]1C[C@H](NC(=O)[C@H]([C@H](C)O)[C@@H]2O[C@H]([S@](C)=O)[C@H](O)[C@H](O)[C@H]2O)N(C)C1 2356565086 OKKCBNPDVFFQFL-AWBUMJQTSA-N 422.544 -1.636 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]2[C@@H]1[C@H](O)[C@@H](O)[C@@H]2C 255260572 QDEYKGKBMCIYCT-DPNVIZTASA-N 406.384 -3.180 0 1 HAAF N[C@H]1[C@H](O)[C@H](O)[C@@H](C[C@H](O)[C@@H]2O[C@H](n3ccc(O)nc3=O)[C@H](O)[C@@H]2O)O[C@H]1O 2356403986 ZPDFNEXYNUEAKH-HLEVFGGXSA-N 405.360 -4.915 0 1 HAAF O=C(O[C@@H]1O[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)c1ccccc1 2356539671 WGYAFONFGRTQCH-KXAPUOMLSA-N 402.352 -2.936 0 1 HAAF CO[C@H]1[C@H](O)[C@@H](O[C@H](C)[C@@H](O)c2cnc3[nH]c(=N)nc(O)c3n2)O[C@H](CO)[C@@H]1O 2356716015 ZQLTUOZZFIPZMO-JDRDZWKFSA-N 413.387 -2.570 0 1 HAAF COC(=O)[C@H](NC(=O)C1=C[C@H](NC(=O)COCC(=O)O)[C@H](O)[C@@H](O)C1)C(C)C 2356838115 LQKMEMWVDDAXTM-AZHAFVHUSA-N 402.400 -2.062 0 1 HAAF Nc1nc2c(c(=O)[nH]1)n(CCN1CCCCC1)c(=O)n2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 27107550 LRVDIWDBHQPMSK-NFOTXUCKSA-N 410.431 -2.434 0 1 HAAF N=C(N)NCCCc1cccc2[nH]cc(OC(=O)[C@@H]3O[C@](O)(CO)[C@@H](O)[C@H]3O)c12 2356355784 HEPDMOJOMOXAQO-JTOWHCCKSA-N 408.411 -1.710 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@](C)(CO)[C@H](O)[C@H](O)[C@@H]2O)[C@@H]2[C@@H]1C[C@H](O)[C@H]2C 2356540050 KHKJDBORKVAPOM-BXTYXSIXSA-N 404.412 -1.761 0 1 HAAF O[C@@H]1[C@H](CO[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)O[C@@H](OCCc2ccccc2)[C@@H](O)[C@H]1O 14651708 ZRGXCWYRIBRSQA-AHQZEJRJSA-N 416.423 -2.491 0 1 HAAF endogenous,in-man CS[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](n2cc(C(=O)NCCN3CCOCC3)nn2)[C@@H]1O 28113026 ZDQUEPDNMYMYGB-SQCNAZHOSA-N 417.488 -2.317 0 1 HAAF COC(=O)C1=CO[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]2[C@H](C)O[C@@H](OC)C[C@H]12 140741918 IZODPOCIKVLNIL-BHORKBBFSA-N 420.411 -1.770 0 1 HAAF OC[C@@H]1O[C@H](OC[C@@H]2O[C@@H](O)[C@@H](O)[C@@H]2O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)[C@@H](O)[C@@H]1O 100829902 FHLVHZWPBBNFQR-DFCZOGJJSA-N 414.360 -5.656 0 1 HAAF endogenous,in-man C[C@@H](O)C=C[C@@]1(O)[C@H](C)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)CC1(C)C 2356349191 WMBODJDHWWGSJT-NNJXCSESSA-N 406.472 -1.734 0 1 HAAF CCN1C(=O)C[C@H](C(=O)N[C@H](Cc2c[nH]cn2)C(=O)N2CCC[C@@H]2C(N)=O)NC1=O 26188367 RUIPHNJSXWCPPW-JHJVBQTASA-N 419.442 -1.756 0 1 HAAF N[C@H](CCCC(=O)N[C@]1(NC=O)C(=O)N2C(C(=O)O)=C(CO)CS[C@@H]21)C(=O)O 31413705 RQPIYCBIFMMJEJ-KBOAJJQZSA-N 416.412 -2.627 0 1 HAAF biogenic C[C@@H]1C[N@]1C[C@H](O)C[C@H]1C[C@@H]1COC(COC(CO)CO)COC(CO)CO 1857534081 ZFLQPYGPDPYNQY-QHXDDQSASA-N 407.504 -1.798 0 1 HAAF OC[C@]1(O)CO[C@@H](OC[C@H]2O[C@H](Oc3ccccc3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O 2356397068 FPMURYWLAWHLRF-SDEHUREGSA-N 404.368 -2.964 0 1 HAAF OCc1ccccc1O[C@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O 2356538929 WGYSMZQKECLRAK-YAMKDACZSA-N 418.395 -3.179 0 1 HAAF COc1cc(C(=O)OC[C@H]2O[C@H](O[C@@H]3COC(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 2356660201 BTCMNPWDMQYXQL-HLWDCNRVSA-N 414.363 -1.303 0 1 HAAF OC[C@H]1O[C@@H](Oc2ccc(O)cc2)[C@H](O[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@@H]1O 39162839 SEZVUDWLTCREHG-FVVNKADVSA-N 404.368 -2.964 0 1 HAAF COC(=O)[C@H]1O[C@@H](n2nncc2-c2ccc(S(N)(=O)=O)cc2)[C@H](O)[C@@H](O)[C@@H]1O 72142817 SYGHQRATQJYJGG-PDWCTOEPSA-N 414.396 -2.254 0 1 HAAF CC(=CCO[C@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O 2356459256 FEGXTMHRTZJSIG-IKKJAFPUSA-N 424.443 -3.015 0 1 HAAF COc1cc(C(=O)OC[C@H]2O[C@@H](O[C@H]3COC(=O)C3)[C@@H](O)[C@H](O)[C@H]2O)ccc1O 2356660203 BTCMNPWDMQYXQL-VSDHBRMGSA-N 414.363 -1.303 0 1 HAAF Cc1cn([C@@H]2C[C@@H](O)[C@@H](Cn3nncc3Cn3ncc(=O)[nH]c3=O)O2)c(=O)[nH]c1=O 1652912 SJGIZVRSHOSUJA-WZRBSPASSA-N 418.370 -2.922 0 1 HAAF CC(=O)c1[nH]ccc1O[C@@H]1O[C@H](C)[C@H](O)[C@H](O)[C@@H]1O[C@@H]1O[C@H](C)[C@H](O)[C@@H](O)[C@H]1O 2356490599 OTCHVZAGSBMQAL-LIFNWSNVSA-N 417.411 -1.725 0 1 HAAF COc1cc(C=CCO[C@@H](CO)CO[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)ccc1O 2356739079 ZNCIFZQZRARGRD-IDYJLDPRSA-N 416.423 -1.392 0 1 HAAF CC1=C2C[C@@H]3OC(=O)[C@H](O)[C@]4(O)[C@H](C)[C@H](O)[C@@]5(O)OC[C@@]34[C@@H]5[C@]2(C)[C@@H](O)[C@@H](O)C1 2356759450 QASFGTPMWKRNSJ-RDCCLQJMSA-N 412.435 -1.812 0 1 HAAF Cc1cn([C@@H]2C[C@H](O)[C@@H](Cn3cc(Cn4ncc(=O)[nH]c4=O)nn3)O2)c(=O)[nH]c1=O 31895613 CWODJSMVWRIQCA-LOWVWBTDSA-N 418.370 -2.922 0 1 HAAF O=c1[nH]cnc2c1ncn2[C@@H]1C[C@H](O)[C@H](CO[P@@](=O)(O)OP(=O)(O)O)O1 35270719 BKUSIKGSPSFQAC-ACZMJKKPSA-N 412.188 -1.006 0 1 HAAF biogenic COc1nc(=O)ccn1[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O 71296335 LZLCEEVUQLXSAY-ZOQUXTDFSA-N 418.188 -1.903 0 1 HAAF CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)N2CCC[C@@H](C(=O)O)C2)O[C@H]1[C@H](O)[C@H](O)CO 95593092 GXUQQZWOHAWXJL-VDYPAOQASA-N 401.416 -2.862 0 1 HAAF COc1cc(C=CCO)ccc1O[C@@H](CO)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356384322 PGJYVMDPNVGNPV-CCNMWVGKSA-N 416.423 -1.743 0 1 HAAF COC(=O)C1=CO[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)[C@@H]2C(C)=C[C@H](O)[C@@]12O 2356611432 WUZGENDUAYSYJW-GTNCBYJOSA-N 404.368 -3.116 0 1 HAAF C[C@@](O)(CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2O1 15104590 LCIXUGGPLIEEGU-GLYDTQENSA-N 424.402 -1.336 0 1 HAAF endogenous,in-man CN(C)C[C@H]1O[C@@H](OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O 27622957 NLFSYBYJODHRKC-OUQNRHAVSA-N 403.388 -3.819 0 1 HAAF OC[C@@H]1O[C@@H](O[C@@H]2CO[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](OCc2ccccc2)[C@@H]1O 40872678 PBKBHCJPMCMBCZ-GDLYOHBGSA-N 416.423 -2.491 0 1 HAAF in-vivo OC[C@@H]1O[C@H](O[C@@H]2[C@H](O)[C@H](O)OC[C@H]2O)[C@H](O)[C@@H]1O[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O 86005472 FASIISXZAJLLSP-IFLKUTRCSA-N 414.360 -5.656 0 1 HAAF in-man CO[C@H]1C(=O)N2C(C(=O)N3CCC[C@H]3C(=O)O)=C(COC(C)=O)CS(=O)(=O)[C@H]12 13601914 SMZXYXKZTNLAKY-ITDIGPHOSA-N 416.408 -1.509 0 1 HAAF investigational CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(N)=O 149740238 FQAVFLTTZRWGCI-LSJOCFKGSA-N 415.451 -2.906 0 1 HAAF CC(=O)O[C@@]1(C)C[C@@H](O)[C@H]2C=CO[C@@H](O[C@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)[C@@]21C 2356434775 DTHRMEYEJGYKKG-KWCAIQBJSA-N 404.412 -1.618 0 1 HAAF