smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features N[C@@H](C/N=c1\c(O)c(O)c1=O)C(=O)O 13603638 OTLPDVHGPURQPY-CEXOLERCSA-N 200.150 -2.354 0 1 BAAF CC(=O)N[C@@H](CO)C(=O)N[C@H](C(N)=O)C(C)C 13650890 MFHHGNNUNGZUAV-YUMQZZPRSA-N 245.279 -1.891 0 1 BAAF O=C(O)[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CF)O1 72121390 SWXUVOABVGDRCS-XUUWZHRGSA-N 224.184 -1.719 0 1 BAAF OC[C@H](O)[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 2356380684 ODLCBLQABZKYGG-MLKOFDEISA-N 210.182 -3.859 0 1 BAAF Cc1cc(N)nc(=O)n1[C@@H]1C[C@@H](O)[C@H](CO)O1 5030582 CXVNURPOCZYHLQ-FJXKBIBVSA-N 241.247 -1.225 0 3 BAAF NC(=O)c1ncn2c1NC[C@@H]1O[C@H]2[C@@H](O)[C@@H]1O 5545529 OOELRVWZYQGNHL-HFXAWCPLSA-N 240.219 -1.973 0 1 BAAF C=CC(=CNC(=O)[C@@H](O)C[C@@H](N)C(=O)O)CO 2356767233 VYDAYIZJJUOQMT-SFYZADRCSA-N 244.247 -1.672 0 1 BAAF N[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O 3869326 SKCBPEVYGOQGJN-SKNVOMKLSA-N 229.125 -2.499 0 1 BAAF in-vitro O=c1ccn([C@H]2C[C@H](CO)C[C@@H]2O)c(=O)[nH]1 5439300 DPWHBIMKUXLNPO-FXQIFTODSA-N 226.232 -1.159 0 1 BAAF O=c1ncccn1[C@@H]1C=C(CO)[C@H](O)[C@@H]1O 5809826 XLZQKAGRWVHGNV-HRDYMLBCSA-N 224.216 -1.562 0 1 BAAF C[C@@H](O)[C@H](NC(=O)CC[C@@H](N)C(=O)O)C(=O)O 50027214 GWNXFCYUJXASDX-XAHCXIQSSA-N 248.235 -1.871 0 1 BAAF endogenous,in-vitro C[C@@H]1COC[C@H]2O[C@H](O)[C@H](O)[C@H](O)[C@H]2O1 238738172 JDTMOBCXZZCLPF-ZLSXHNQQSA-N 220.221 -1.771 0 1 BAAF COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@H]1OC 238740777 UTLUVTKMAWSZKV-NXRLNHOXSA-N 222.237 -1.259 0 1 BAAF CN(C)[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cncn2)[C@@H]1O 2356294449 BOXKCXIJKSJBHG-IGORNWKESA-N 240.263 -1.135 0 1 BAAF O=c1ccoc(C2=C[C@H](O)[C@H](O)[C@H](O)[C@@H]2O)c1 2356593111 XGESXBUIFZUBTP-CDEVMZEPSA-N 240.211 -1.520 0 1 BAAF O=C(NC1CC1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 4134462 ZFCPMBQNQOPXLN-SYHAXYEDSA-N 247.247 -2.893 0 1 BAAF O=c1ccn(CCOP(=O)(O)O)c(=O)[nH]1 45298466 DTVQZMXFZQIULD-UHFFFAOYSA-N 236.120 -1.354 0 1 BAAF Nc1ncn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(=O)n1 4245670 NMUSYJAQQFHJEW-VANKVMQKSA-N 244.207 -3.168 0 1 BAAF in-vitro O=c1ccn([C@H]2C[C@H](O)[C@H](CO)C2)c(=O)[nH]1 17060083 JIFXFEDXEKJYAE-RNJXMRFFSA-N 226.232 -1.159 0 1 BAAF NC1=NC(=O)[C@H]2N=CN(COCCO)C2=N1 28224741 SKQHZVDYOPPGIV-YFKPBYRVSA-N 225.208 -2.081 0 1 BAAF C[C@@H](O)[C@H](N)C(=O)NCCCC[C@@H](N)C(=O)O 50027966 KBBSTKRMTXZXBS-PRJMDXOYSA-N 247.295 -1.607 0 1 BAAF endogenous,in-vitro C[C@]1(O)[C@@H](C(=O)O)O[C@H](O)[C@@H](O)[C@H]1O 238766912 CZDIEIIRCFVGQI-LQTRLPCKSA-N 208.166 -2.739 0 1 BAAF CN1[C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@]1(O)C[C@H]2O 257630982 XTMAEPUCHRMBTC-WNBCZPBOSA-N 205.210 -3.164 0 1 BAAF endogenous,in-man C[C@H](O)[C@H](O)C=C1C(=O)O[C@@H](C)[C@@H]1O 2356838746 MCRAZTCIOWXLIZ-MGVQOFIGSA-N 202.206 -1.039 0 1 BAAF O=C1NC(=O)[C@@H]2[C@H]3C=C[C@@H]([C@H]12)[C@H]1C(=O)NC(=O)[C@@H]31 253705026 QTZADOOBSBOMLI-CBUHOJLWSA-N 246.222 -1.420 0 3 BAAF Cc1cn([C@H]2[C@@H](CO)C[C@H]2O)c(=O)[nH]c1=O 6006682 LPPJTBCAQADZDM-PRJMDXOYSA-N 226.232 -1.241 0 1 BAAF CCCN1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO 28397364 DUKKBXHYYSHSAI-UYXSQOIJSA-N 205.254 -1.844 0 1 BAAF C[C@@H]1O[C@@H](n2nc(C(=N)N)nc2N)[C@@H](O)[C@H]1O 40477033 IFDCMBFKECZASX-PBGVKQQHSA-N 242.239 -2.217 0 1 BAAF C[C@H](O)[C@H](N)C(=O)NC(CC(=O)O)=C(O)O 100388135 ALTFFCAKDVELOR-DZSWIPIPSA-N 234.208 -1.430 0 1 BAAF endogenous,in-vitro CC(=C[C@]1(O)O[C@H](CO)[C@@H](O)C[C@@H]1O)C(=O)O 2356611964 PJPNEBYGJVXUJV-ODHVRURNSA-N 248.231 -1.791 0 1 BAAF CC(=O)NC1=CO[C@@H](CO)[C@@H](O)[C@@H]1O 5431321 LKFJQOCOGNNTCY-XLPZGREQSA-N 203.194 -1.923 0 1 BAAF in-vitro CC(=O)C(O)(O)[C@@H](O)COP(=O)(O)O 98208782 FWCIRYJUXQBEHG-BYPYZUCNSA-N 230.109 -2.274 0 1 BAAF in-vitro O=C1CC(C[C@H](O)[C@H](O)[C@H](O)CO)CC(=O)N1 5539180 GKIPNFRUEODSQW-PJKMHFRUSA-N 247.247 -2.496 0 1 BAAF O=C1C[C@H](NC(=O)OC[C@@H]2CCCN2)C(=O)N1 1857544379 BROVZDKFOULGAP-BQBZGAKWSA-N 241.247 -1.120 0 1 BAAF O=C1N[C@H](C[C@H]2CN=CN2)C(=O)N2CCC[C@@H]12 2356704240 MFPVJZYQYCDQAD-YIZRAAEISA-N 236.275 -1.134 0 1 BAAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](N)[C@@H]1O 2356814708 CKOKTIGDKVWBII-UVOCVTCTSA-N 245.323 -1.708 0 1 BAAF O=CNc1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1 26993191 GSQOOUSTJKSPRN-ZOQUXTDFSA-N 243.219 -1.937 0 1 BAAF NCC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29241925 BNFUZESWWRCHFC-UOLFYFMNSA-N 207.226 -2.822 0 1 BAAF C[C@H](O)C(NC(=O)[C@@H](N)CC(N)=O)=C(O)O 100386113 DYKOLPAMBLDKOY-IMJSIDKUSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro OC[C@H](O)[C@@H](O)c1nc2cnnc(O)c2[nH]1 586889201 JXZBAHQGLGWECD-UJURSFKZSA-N 226.192 -1.555 0 1 BAAF CO[C@H]1[C@@H](O)[C@H](O)[C@@H](O)O[C@H]1C(C)=O 2356512430 SRVBWXXWKIWLAJ-WXUMCUSRSA-N 206.194 -1.971 0 1 BAAF NC(=O)c1noc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 49109851 XFISQYZRIHAGDD-TXICZTDVSA-N 245.191 -2.678 0 1 BAAF O=C(O)C(O)(O)C(F)(F)P(=O)(O)O 1772621818 CWHCTKOKXSDEEY-UHFFFAOYSA-N 222.036 -1.478 0 1 BAAF CC1(C)O[C@H]2[C@H](O)C[C@](O)(C(N)=O)C[C@H]2O1 3979019 OFKNGVGNKBZNOR-QGOVLLJGSA-N 231.248 -1.122 0 1 BAAF in-vitro Cn1c(=O)c2ncc(=O)n(C)c2n(C)c1=O 14682543 YCKJODMHLSDNLQ-UHFFFAOYSA-N 222.204 -1.669 0 1 BAAF N[C@H]1C=CN([C@@H]2C=C(CO)[C@@H](CO)O2)C(=O)N1 64549365 MBGUKZBWOALGJR-HLTSFMKQSA-N 241.247 -1.554 0 1 BAAF C[C@H](O)C(NC(=O)[C@@H](N)CO)=C(O)O 100388051 SUMUCFYAYPAHLN-IMJSIDKUSA-N 206.198 -1.912 0 1 BAAF endogenous,in-vitro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c1ncccn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 26575954 RPQZTTQVRYEKCR-XUTVFYLZSA-N 228.204 -2.145 0 1 BAAF CC(=O)N[C@H]1[C@@H](O)S[C@@H](CO)[C@@H](O)[C@H]1O 98207895 DYCCLPFFILCZGU-SHGPDSBTSA-N 237.277 -2.361 0 1 BAAF in-vitro C[C@H](O)C(NC(=O)[C@@H](N)[C@@H](C)O)=C(O)O 100388379 PJYPYOFDENTKPF-WISUUJSJSA-N 220.225 -1.523 0 1 BAAF endogenous,in-vitro Nc1ncnc2[nH]c(C[C@@H](O)CO)nc12 169324081 XSRISYJRBLFGBP-SCSAIBSYSA-N 209.209 -1.169 0 1 BAAF O=C(O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 261139375 MTNHERCZHBRCJQ-RXRWUWDJSA-N 208.166 -3.087 0 1 BAAF C[C@H](O)[C@@H](N[N])C(=O)OC[C@H](N)C(=O)O 2356828810 ILAVGKNLUJZPRQ-VAYJURFESA-N 219.197 -2.736 0 1 BAAF O=C(O)CN[C@H](C(=O)O)[C@@H](O)C(=O)O 29059056 KRFZLAARZVVULD-IUYQGCFVSA-N 207.138 -2.441 0 1 BAAF C[C@@H](O)[C@@H](C(=O)O)N1C(=O)[C@@H](N)CC[C@H]1O 58649763 ODVCESWVBOFPFP-UCROKIRRSA-N 232.236 -1.912 0 1 BAAF in-vitro O[C@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H]3[C@@H]1O[C@@H]1[C@H]3CC[C@H]2[C@H]1O 100826123 YIAMKYDKMPHMFL-CPDVMBDFSA-N 242.271 -1.517 0 1 BAAF COCn1c(C[C@H](O)CO)c(C)c(=O)[nH]c1=O 169353939 YHFVHIGXBLCERL-ZETCQYMHSA-N 244.247 -1.655 0 1 BAAF N[C@@H](CCC[C@@H](N)[C@@H](O)CC(=O)O)C(=O)O 4102305 XMYUTJGBCFJNFF-VQVTYTSYSA-N 234.252 -1.269 0 1 BAAF in-vitro Cc1cn(N2C[C@H](F)[C@@H](CO)C2)c(=O)[nH]c1=O 6523411 YSGKKVVPWXTYNO-SFYZADRCSA-N 243.238 -1.257 0 1 BAAF CC(=S)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 13510277 BIHKKHHUWVSGSD-FMDGEEDCSA-N 237.277 -2.277 0 1 BAAF in-vitro CC1(C)O[C@@H]2[C@H](O)[C@]3(CO)OC[C@@H](O3)[C@H]2O1 238770872 VHZHPTXPNUYFAG-OPJPCFLTSA-N 232.232 -1.015 0 1 BAAF NC1=NC=N[C@@H]2[C@H]1N=CN2[C@H]1C=C[C@H](CO)O1 195346219 JVDLURWGVVPGCO-ODXREFDESA-N 235.247 -1.303 0 1 BAAF O=C(O)[C@H](O)[C@H](O)c1nc2cnnc(O)c2[nH]1 586886648 FYQSPKXGWCHKJL-CRCLSJGQSA-N 240.175 -1.463 0 1 BAAF OC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)c1nnn[nH]1 17120246 VPUGXNYOCIAXLS-TXICZTDVSA-N 220.185 -3.692 0 1 BAAF Nc1cn([C@@H]2C[C@H](CO)C[C@@H]2O)c(=O)[nH]c1=O 29344728 IHMQPKOBJLKNQT-ARDNSNSESA-N 241.247 -1.577 0 1 BAAF CO[C@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O 96174773 STALKXWWDPBKMN-HXLXBVJFSA-N 235.236 -2.424 0 1 BAAF NC(=O)C=CC(=O)NC[C@@H](N)C(=O)O 2356760544 TXNRYTCUNXUNFH-SCSAIBSYSA-N 201.182 -2.444 0 1 BAAF CO[C@@H]1C(O)[C@H](OC)[C@@H](O)C(O)[C@H]1O 13543714 MMCIFJWGSIWJLP-XAMPRYAMSA-N 208.210 -2.526 0 1 BAAF biogenic,in-vitro Cc1cn(N2C[C@@H](F)[C@@H](CO)C2)c(=O)[nH]c1=O 26731151 YSGKKVVPWXTYNO-HTQZYQBOSA-N 243.238 -1.257 0 1 BAAF NCCCS(=O)(=O)N(O)CC(=O)O 29462950 FJEOWEMJJNZZRR-UHFFFAOYSA-N 212.227 -1.559 0 1 BAAF O=C1NC=CC=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 33821233 MEPCJRCEYSZBDO-FNCVBFRFSA-N 242.231 -1.522 0 1 BAAF in-vivo C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(=O)O 69480574 GGWZPCSVNVCONW-VFUOTHLCSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro C[C@H]1O[C@@]23N[C@H](CNC2=NC(N)=NC3=O)[C@H]1O 85589364 JZTDUNXDDUJXRZ-UOEJLIQISA-N 239.235 -2.723 0 1 BAAF endogenous,in-man CCOC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O 2356539736 ZAAXPJUGNJCUHG-YWIQKCBGSA-N 208.210 -2.176 0 1 BAAF O=P(O)(O)OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1O 2356790894 GDNPQORLESVKIU-OMMKOOBNSA-N 243.152 -2.850 0 1 BAAF CC(=O)NC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O 169323483 ZZYSBICZTKUVNL-FMGWEMOISA-N 221.209 -3.078 0 1 BAAF O=P(O)(O)[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 28772245 INVLJZOABUHBTI-BYIBVSMXSA-N 244.136 -3.036 0 1 BAAF Nc1cc(=O)n(CCOCP(=O)(O)O)cn1 29561223 XVWKYACFCKUJKH-UHFFFAOYSA-N 249.163 -1.023 0 1 BAAF CN1[C@@H](CO)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1CO 100806187 CVSZHOAOIZMVHV-UOLFYFMNSA-N 207.226 -3.264 0 1 BAAF COC(=O)[C@H](OC)[C@@H]1OC[C@H](O)[C@@H]1O 2356507767 GVLALIAFAWFGPO-VWDOSNQTSA-N 206.194 -1.705 0 1 BAAF NNCC(=O)c1cccc(C(=O)CNN)c1 2356807058 AJEIHBZGASCHJI-UHFFFAOYSA-N 222.248 -1.021 0 1 BAAF CC(=S)NC1=CO[C@H](CO)[C@@H](O)[C@@H]1O 584905766 VWPHMQQBRGEPGS-BWZBUEFSSA-N 219.262 -1.122 0 1 BAAF in-vitro N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCC[C@H]2CO)[C@H]1O 2356693695 NMTUCAAUKBQRDV-VDNGDJRNSA-N 244.291 -1.745 0 1 BAAF NC(=O)Cn1ccc(=O)c(S(N)(=O)=O)c1 64479801 KPMVFWOPKVMJQH-UHFFFAOYSA-N 231.233 -2.019 0 1 BAAF CCC[C@@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 96273309 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-1.769 0 1 BAAF O=c1[nH]c(=O)n([C@H]2O[C@H]3CO[C@H]2[C@H]3O)cc1F 195355833 HDJXIAVWVQQMLN-TYQACLPBSA-N 244.178 -1.667 0 1 BAAF Cc1cn([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)c[n+]1[O-] 34064618 PAVQITQTHGMQOW-XKSSXDPKSA-N 242.231 -1.569 0 1 BAAF NS(=O)(=O)c1cn(CCO)ccc1=O 95562151 YMYLEXPDGRKLFX-UHFFFAOYSA-N 218.234 -1.512 0 1 BAAF O=S(=O)(NO)N[C@H]1C=C[C@H](O)CO1 299820904 DBEVYDLFTVHBDS-CRCLSJGQSA-N 210.211 -1.927 0 1 BAAF O=c1nc(O)ccn1C[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O 2356466185 WGDUUQDYDIIBKT-PSQAKQOGSA-N 244.203 -2.612 0 1 BAAF O=c1[nH]cnc2ncn([C@@H]3CO[C@@H](CO)O3)c12 27194327 YZXMCBQXCGIBEC-NTSWFWBYSA-N 238.203 -1.017 0 1 BAAF OC[C@H](O)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O 257441136 HYWDXGGHANXDIV-ANBNMOMCSA-N 240.208 -4.498 0 1 BAAF endogenous,in-man O=C(O)[C@@H]1CN2[C@@H](N1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO 19333365 CLJMUGBMMVBGHE-JMHNFOGYSA-N 248.235 -3.872 0 1 BAAF N[C@@H](CC(=O)O)[C@@H](O)[C@@H](O)[C@H](N)CC(=O)O 58468703 SJDZSCFHDFZAHQ-ZBKCKJIOSA-N 236.224 -2.688 0 1 BAAF Cn1c(O)nc2ncn(C[C@@H](O)CO)c2c1=O 1772630302 OGZGSIABQIHVSN-RXMQYKEDSA-N 240.219 -1.811 0 1 BAAF CN(C)CCN(C)[C@@H]1[C@H]2OC[C@@H](O2)[C@H](N)[C@@H]1O 2356814706 CKOKTIGDKVWBII-NMUGVGKYSA-N 245.323 -1.708 0 1 BAAF Nc1cn([C@H]2C[C@@H](CO)C[C@@H]2O)c(=O)[nH]c1=O 3653555 IHMQPKOBJLKNQT-DTLFHODZSA-N 241.247 -1.577 0 1 BAAF CS(=O)(=O)N[C@@H]1CO[C@@H]2[C@H](O)CO[C@H]12 2356811567 BPLUMQZGUCIOJN-DBRKOABJSA-N 223.250 -1.937 0 1 BAAF N=C1NC(=O)N[C@H]([C@H]2C=C3NC(=O)N32)[C@@H]1N 535384649 FYPZIBYFXYXILV-UCZIYFJWSA-N 222.208 -1.779 0 1 BAAF biogenic,in-vitro O=C(O)[C@H](O)C[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356458529 PDNRSANBMBLRMH-PFCGLBSHSA-N 222.193 -2.697 0 1 BAAF N[C@H](CO[P@](=O)(O)CC(=O)O)C(=O)O 2356861551 UKJFATGBBKGGDU-GSVOUGTGSA-N 227.109 -1.315 0 1 BAAF OC[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 28654695 FKQQQROPNALGDM-ZLFMKPOPSA-N 219.237 -3.121 0 1 BAAF O=c1[nH]c(=O)n([C@H]2CO[C@@H](CO)[C@H]2O)cc1F 31897682 MXURFEAREZZFIY-ACZMJKKPSA-N 246.194 -2.031 0 1 BAAF CC(C)=CCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356717088 GQJQCKUJCHMTNF-NZHYYXIDSA-N 248.275 -1.231 0 1 BAAF O=c1ccn([C@H]2S[C@@H](CO)[C@@H]2CO)c(=O)[n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endogenous,in-man O=C([C@H](O)CO)[C@H](O)[C@H](O)[C@@H](O)CO 2356742304 INYHXAFWZQXELF-TWLZVZROSA-N 210.182 -4.016 0 1 BAAF O=C1C[C@H]2NC(=O)[C@H](CCCCN1)NC2=O 1872127 BFKVJADDVUKUIU-NKWVEPMBSA-N 225.248 -1.340 0 1 BAAF in-vitro NC(=O)CCC(NC(=O)[C@H](N)CO)=C(O)O 100387964 ZYBDRXRDQPUBPI-SCSAIBSYSA-N 233.224 -2.027 0 1 BAAF endogenous,in-vitro O=c1ncccn1[C@H]1C[C@H](CO)[C@@H](O)[C@H]1O 26576427 CPAMGUFEGWDLST-XAVMHZPKSA-N 226.232 -1.482 0 1 BAAF O=P(O)(O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 95613767 INVLJZOABUHBTI-GKFJPSPNSA-N 244.136 -3.036 0 1 BAAF CCCCOC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O 2356681304 PKFXOEDXEGFAPK-XKNYDFJKSA-N 236.264 -1.395 0 1 BAAF CNC(=O)CN(CC(N)=O)C(=O)NC 1632135 IVOKUWYIHUYZDM-UHFFFAOYSA-N 202.214 -2.141 0 1 BAAF NCC(=O)NC(=O)NCCC[C@H](N)C(=O)O 58591489 FLWOKRQNNOTMGJ-YFKPBYRVSA-N 232.240 -2.037 0 1 BAAF O=C1NC(=O)[C@@H](Cc2cccc3c2B(O)OC3)N1 195494328 ARQPZDGGXQMRNQ-MRVPVSSYSA-N 246.031 -1.345 0 1 BAAF Nc1nc2c(ncn2OC[C@@H](O)CO)c(=O)[nH]1 1492932 ARGAGMONNGMNFI-BYPYZUCNSA-N 241.207 -2.516 0 1 BAAF Nc1cn([C@@H]2C[C@H](CO)C[C@H]2O)c(=O)[nH]c1=O 32138118 IHMQPKOBJLKNQT-UIISKDMLSA-N 241.247 -1.577 0 1 BAAF C[C@@H]1O[C@H]([n+]2cccc(C(N)=O)c2)[C@H](O)[C@H]1O 263637841 PXAPCLAMQZSOQJ-FGGBMERFSA-O 239.251 -1.288 0 1 BAAF NC(=O)CNC(=O)C1=C[C@H](N)[C@H](O)[C@H](O)C1 2356809262 APBALTKARRWKOH-BBVRLYRLSA-N 229.236 -3.033 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@@H](F)[C@H](O)CO 27769036 LFBIBWHGJKTTMC-WISUUJSJSA-N 234.116 -1.852 0 1 BAAF CO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1NC(C)=O 584904713 HPXHVBAASZCSSR-CRYJZLASSA-N 249.219 -2.331 0 1 BAAF in-vitro OC[C@@H]1O[C@](O)([C@H](O)CO)[C@H](O)[C@H](O)[C@H]1O 2356420170 QVTGRTRPQZINRF-WCOPOEHTSA-N 240.208 -4.498 0 1 BAAF N[C@H](Cc1cncn1C[C@@H](N)C(=O)O)C(=O)O 14439780 MYLPOAPVPIJSGR-RNFRBKRXSA-N 242.235 -1.751 0 1 BAAF endogenous,in-man OCC1=CO[C@@H](O)[C@H]2C1=C[C@@H](O)[C@@]21CO1 14771119 OHFUJVGMWXATSG-KYXWUPHJSA-N 212.201 -1.103 0 1 BAAF endogenous,in-man NCCCCN[C@H](N)SC[C@H](N)C(=O)O 58638446 GZLBOQUKGXMSFX-XPUUQOCRSA-N 236.341 -1.298 0 1 BAAF in-vitro N[C@H](CO)C(=O)NC(CCC(=O)O)=C(O)O 69487881 JRKUXSVABFECJU-SCSAIBSYSA-N 234.208 -1.428 0 1 BAAF endogenous,in-vitro O=C(O)[C@H](O)C[C@H](O)[C@@H](O)[C@H](O)CCO 95661594 UWYXBJNIIQWVFI-UCROKIRRSA-N 224.209 -2.713 0 1 BAAF in-vitro O=c1ncccn1[C@@H]1C=C(CO)[C@H](O)[C@H]1O 105496724 XLZQKAGRWVHGNV-VGMNWLOBSA-N 224.216 -1.562 0 1 BAAF CC(=O)N[C@@H]1[C@H](O)C=C(CO)[C@H](O)[C@@H]1O 2356760513 PLIJNXBKCPWNJD-LURQLKTLSA-N 217.221 -2.494 0 1 BAAF O=c1ccccn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 13516539 HQOCNHILQYLGGE-QQRDMOCMSA-N 227.216 -1.540 0 1 BAAF CCCCO[C@]1(O)COC[C@H](O)[C@@H](O)[C@H]1O 2356330427 RKNUEEMZJSUPGY-SGIHWFKDSA-N 236.264 -1.395 0 1 BAAF Nc1cn([C@H]2C[C@@H](O)[C@@H](CO)C2)c(=O)[nH]c1=O 5665387 MYKYWKUWDWHPAJ-ATRFCDNQSA-N 241.247 -1.577 0 1 BAAF O=[N+]([O-])O[C@@H]1C[C@@H](O[N+](=O)[O-])[C@@H](O)C[C@@H]1O 169298817 KYZQWVCQKNLHJE-UNTFVMJOSA-N 238.152 -1.344 0 1 BAAF O=C(O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O 14963441 PRMYJYULZUTKON-QXRNQMCJSA-N 242.187 -1.730 0 1 BAAF OC[C@H](O)[C@@H]1OCO[C@@H]([C@H](O)CO)[C@H]1O 253916344 ZQQVXOCXYXTYRF-BJNUKLAGSA-N 224.209 -3.205 0 3 BAAF C=C1N=C([C@@H](N)[C@@H](C)O)N(CC(=O)O)C1=O 98209093 XVNVRKWEENONTK-VDTYLAMSSA-N 227.220 -1.467 0 1 BAAF in-vitro O=C(O)[C@@H](O)[C@@H](O)c1nc2c(O)ncnc2[nH]1 586885152 BPUKRPLIHYDOES-DMTCNVIQSA-N 240.175 -1.463 0 1 BAAF O=C(O)[C@H](O)[C@@H](O)c1nc2ncc[nH]c-2n1 586888391 KEVOOHYZBVKOIP-QWWZWVQMSA-N 224.176 -1.217 0 1 BAAF NC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 168200567 LIAOMNGNFIFMCN-VZJIRGRRSA-N 221.209 -3.296 0 1 BAAF O=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c(O)n1 2356527045 UMTHIZRIDGLMBU-ULAWRXDQSA-N 244.203 -1.987 0 1 BAAF O=C(O)[C@H]1Cn2cnc3c(=O)[nH]c(=O)n(c32)C1 238765138 BLDDOUKBZZZLCG-BYPYZUCNSA-N 236.187 -1.399 0 1 BAAF CO[C@H]1[C@H](O)[C@@H](C(C)=O)O[C@@H](O)[C@H]1OC 2356524213 VEWIYIKLJWCBSA-XGQMLPDNSA-N 220.221 -1.317 0 1 BAAF OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 14616897 DRDSDQVQSRICML-FWRBPFIFSA-N 242.224 -4.864 0 1 BAAF endogenous,in-man CC(=O)N[C@H](Cn1cncn1)CP(=O)(O)O 26187054 GULPISDWHKHTCH-SSDOTTSWSA-N 248.179 -1.040 0 1 BAAF C[C@@H](O)[C@@H](O)[C@@H](C)C(=O)N[C@@](C)(CO)C(=O)O 33753295 XXCXSSMNJUZBQI-JQCUSGDOSA-N 249.263 -1.684 0 1 BAAF in-vitro OC[C@H]1O[C@@H]2SC(CF)=N[C@@H]2[C@@H](O)[C@@H]1O 117470336 HKIPXVLIAKBADU-PNAXYBNRSA-N 237.252 -1.091 0 1 BAAF NC(=O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cn1 13821046 URMSSWRCAKSNMZ-JXOAFFINSA-N 243.219 -2.407 0 1 BAAF N[C@@H]1C[C@@H](N)[C@@H](C(=O)N2CCNCC2)C[C@@H]1O 26994554 UQLAZUTVXXHDKL-JLIMGVALSA-N 242.323 -2.156 0 1 BAAF OC[C@H]1C[C@@H]2OC(N3CCC3)=N[C@@H]2[C@@H](O)[C@@H]1O 204233314 KFDDAZGHTBNRCQ-SOYHJAILSA-N 242.275 -1.451 0 1 BAAF C[C@@H]1COC[C@]12O[C@H](O)[C@H](O)[C@H](O)[C@H]2O 2356433673 QRKUPEZGRBMRGN-JPFOUYRMSA-N 220.221 -2.177 0 1 BAAF NC(=O)c1n[nH]c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 1567262 UZAZHIXEGDBPKD-TXICZTDVSA-N 244.207 -2.942 0 1 BAAF O=P1(O)O[C@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O1 169324124 SXHMVNXROAUURW-GAYJSANJSA-N 242.120 -2.672 0 1 BAAF Cn1[nH]c2nc(=O)n(C)c(=O)c-2nc1=O 2356790936 GEYUOWHCKZAEKE-UHFFFAOYSA-N 209.165 -2.333 0 1 BAAF NC(=O)c1cnnn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 95921599 XXGKQACQKYGQNC-UAKXSSHOSA-N 244.207 -3.012 0 1 BAAF C[C@]1(O)CS[C@H](n2ccc(=O)[nH]c2=O)[C@H]1O 96922435 YOPDPVCBYPWKOB-FJXKBIBVSA-N 244.272 -1.106 0 1 BAAF COCCN1C[C@@H](O)[C@H](O)[C@@H](CO)C1 142967709 ZZQPMCUSRPWYPE-IWSPIJDZSA-N 205.254 -1.721 0 1 BAAF NC(=O)C[C@H](N)C(=O)NC(CC(=O)O)=C(O)O 100386017 VUNWIHOFKVSBQX-VKHMYHEASA-N 247.207 -1.935 0 1 BAAF endogenous,in-vitro CC(=O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378128 XFKHICCLLWQWBT-QKCLAQEOSA-N 236.220 -2.608 0 1 BAAF OCCN1CCO[C@H]1[C@H]1OCCN1CCO 2356452542 UCMBTWUJUWRKNW-AOOOYVTPSA-N 232.280 -1.712 0 1 BAAF O=c1ccn([C@H]2CC[C@@H](O)C[C@@H]2O)c(=O)[nH]1 26575441 QCWRCSVWKQHAQW-CSMHCCOUSA-N 226.232 -1.017 0 1 BAAF OCCNC[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO 27651601 VQSVOQJUFSROBP-CWKFCGSDSA-N 225.241 -3.996 0 1 BAAF Nc1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)n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c1ncn([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n1 5883192 NHKZSTHOYNWEEZ-MXSWDONDSA-N 243.223 -2.826 0 1 BAAF O=[N+]([O-])O[C@H]1C[C@H](O[N+](=O)[O-])[C@H](O)C[C@H]1O 43071380 KYZQWVCQKNLHJE-ZXXMMSQZSA-N 238.152 -1.344 0 1 BAAF O=C1OCC[C@@H]2C1=C(CO)[C@@H](O)[C@H]2O 14513228 ZTORISRLTYWNKJ-BTZDVCGTSA-N 200.190 -1.426 0 1 BAAF biogenic,in-vitro N[C@@H](NC[C@H](CC(=O)O)C(=O)O)C(=O)O 2356763797 RWDVGNGNPXWOFC-UCORVYFPSA-N 220.181 -1.879 0 1 BAAF NS(=O)(=O)OCCCCOS(N)(=O)=O 5113293 XHCZRWMTVBHWQT-UHFFFAOYSA-N 248.282 -1.793 0 1 BAAF in-vivo N=C(N)c1n[nH]c([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 169320192 BTQVVIMQKYDWCC-TXICZTDVSA-N 243.223 -2.757 0 1 BAAF C[C@]12C(=O)NC(=O)N[C@@H]1[C@H]1NC(=O)NC(=N)[C@H]12 535384669 ICHACPCERMCAMT-UPKOZEGASA-N 237.219 -1.511 0 1 BAAF biogenic,in-vitro O=c1[nH]c(=O)n([C@@H]2C[C@@H](CO)C[C@@H]2O)cc1F 1568864 QHTRUFIZOPJXNT-NJUXHZRNSA-N 244.222 -1.020 0 1 BAAF O=P(O)(O)OC[C@H]1OC[C@H](O)[C@H]1O 12504040 CYZZKTRFOOKUMT-VPENINKCSA-N 214.110 -1.784 0 1 BAAF in-vivo Nc1cc[n+]([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nc1O 48999954 IDGSINFKTPAQKG-JXOAFFINSA-O 244.227 -2.732 0 1 BAAF N[C@H](CC(=O)O)C(=O)NC(CC(=O)O)=C(O)O 69486498 PEFPSSNNCOLIIQ-GSVOUGTGSA-N 248.191 -1.336 0 1 BAAF endogenous,in-vitro O=[P@]1(O)O[C@@H]2O[C@H](CO)[C@@H](O1)[C@H]2O 100190738 ONTWKCPWRKFYOT-AIHAYLRMSA-N 212.094 -1.420 0 1 BAAF in-vitro CC(=O)NC[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 299812760 QTXJBHLJGBVVJA-QKAWAISNSA-N 235.236 -3.035 0 1 BAAF Cc1cn(N2CC[C@@H](CO)C2)c(=O)[nH]c1=O 6523409 DEXYTRRTUWIAMD-MRVPVSSYSA-N 225.248 -1.205 0 1 BAAF O[C@H]1[C@H]2[C@H](O)[C@H](O)CN2[C@H](O)C[C@H]1O 14616443 HHLGVTQXFOVXKK-CVBHLRHXSA-N 205.210 -3.164 0 1 BAAF in-vivo Nc1ccn([C@H]2OC[C@H](O)C[C@@H]2O)c(=O)n1 14649454 XFQSGQXEWAKVAH-CHKWXVPMSA-N 227.220 -1.534 0 1 BAAF O=C1[C@H](O)[C@@H](O)C[C@@](O)(C(=O)O)[C@H]1F 27331163 FACFTCCQYFIKAF-IDJIPCEWSA-N 208.141 -2.165 0 1 BAAF CCc1cn(COC(CO)CO)c(=O)[nH]c1=O 35001092 NLGIILLVBHYYNH-UHFFFAOYSA-N 244.247 -1.574 0 1 BAAF O=c1ccn2c(n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in-man OC[C@H](O)[C@H](O)[C@@H](O)[C@H](O)c1nnn[nH]1 105478412 VPUGXNYOCIAXLS-KLVWXMOXSA-N 220.185 -3.692 0 1 BAAF O=C1NCCCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1F 169307943 DINLEAHFNSLTEA-WCTZXXKLSA-N 234.227 -1.182 0 1 BAAF NC(=O)C1=CNN(CCC[C@@H](N)C(=O)O)C=C1 2356876168 ZHZHFBNMZJNECS-MRVPVSSYSA-N 240.263 -1.118 0 1 BAAF CO[C@@H]1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CO 5955686 MJLFWMACMGAXSW-ZXFLCMHBSA-N 242.231 -1.169 0 1 BAAF biogenic CO[C@H]1C[C@@H]2[C@H](O)[C@@H](O)[C@@]3(O)CO[C@@H](O1)[C@@H]23 13891372 LVAWHTOAFSCIIW-GQSXBWTISA-N 232.232 -1.566 0 1 BAAF biogenic,in-vitro OCCN1C[C@@H](F)[C@@H](O)[C@H](O)[C@H]1CO 45285501 OFUJFVFATCHVLE-WCTZXXKLSA-N 209.217 -2.285 0 1 BAAF OC[C@@H](O)[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@H]1O 59641692 HYWDXGGHANXDIV-LVTNRUAJSA-N 240.208 -4.498 0 1 BAAF in-man CO[C@H]1O[C@H](CCC(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 38600061 MUQUNFOHSOSQMG-YTAJOOCQSA-N 236.220 -1.695 0 1 BAAF O=c1[nH]cnc2c(CNC(CO)CO)c[nH]c12 40835314 YGATXRRSBPFSBK-UHFFFAOYSA-N 238.247 -1.306 0 1 BAAF in-vitro NC1=NC(=O)[C@@H]2N=CN([C@H]3C=C[C@@H](CO)O3)C2=N1 40843854 VMFYYVYXGAIDNC-RRKCRQDMSA-N 249.230 -1.774 0 1 BAAF CC(NC(=O)[C@H](N)CC(N)=O)=C(O)O 100386001 QEIRDRMLTABODT-SCSAIBSYSA-N 203.198 -1.390 0 1 BAAF endogenous,in-vitro O=C(O)[C@@H]1C[C@H]([C@]2(O)OC[C@@H](O)[C@@H]2O)C(=O)N1 2356507641 ZFMUVQSKECLHAK-VHBMUUDXSA-N 247.203 -2.984 0 1 BAAF NC[C@H](O)C[C@@H](N)CC(=O)NOCC(=O)O 26482933 QPKNTIROCGJMAI-PHDIDXHHSA-N 235.240 -2.454 0 1 BAAF NC(=O)c1ncn(CO[C@@H](CO)[C@H](O)CF)n1 27737692 WJJNVRNCLLBYMR-RITPCOANSA-N 248.214 -1.958 0 1 BAAF NS(=O)(=O)c1ccc([C@H](O)[C@@H](O)CO)cc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c1nc(NO)ccn1[C@@H]1C[C@@H](O)[C@H](CO)O1 40409327 GBQJWVYHPHFGFH-CHKWXVPMSA-N 243.219 -1.315 0 1 BAAF N[C@@H]1CCCNC(=O)[C@H](N)CCCNC1=O 238777785 NWDFWCXKIDTJBA-HTQZYQBOSA-N 228.296 -1.553 0 1 BAAF CNc1nnnn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 32067882 UCKXZCWXRRSJMW-KVTDHHQDSA-N 231.212 -2.674 0 1 BAAF Nc1ncnc2c1ncn2C[C@@H](O)[C@H](O)CO 34809380 QKCTULZIZBZRBQ-PHDIDXHHSA-N 239.235 -1.877 0 1 BAAF CC(=O)N[C@H]1[C@@H](O)N[C@H](CO)[C@@H](O)[C@@H]1O 38867590 QUMFEBOJFYZWQR-FMDGEEDCSA-N 220.225 -3.505 0 1 BAAF OC[C@]1(F)O[C@@H](F)[C@@H](O)[C@@H](O)[C@@H]1O 12502945 MGHYRMVVRYCAON-PHYPRBDBSA-N 200.137 -1.947 0 1 BAAF in-vivo CCCCN[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O 40743401 LIHFRDUKHROKTG-DBIOUOCHSA-N 231.292 -1.240 0 1 BAAF NS(=O)(=O)c1ccc([C@@H](O)[C@H](O)CO)cc1 72125943 DWGSQJBAEKZYAT-RKDXNWHRSA-N 247.272 -1.279 0 1 BAAF N[C@H](CC(C=C=O)=C[C@H](O)C(=O)O)C(=O)O 2356700642 DDPFUGIRVJYBMN-RQJHMYQMSA-N 229.188 -1.452 0 1 BAAF O=C(O)CNCC[S@@](=O)CP(=O)(O)O 28771167 NZOXAFWJLBMFSX-AWEZNQCLSA-N 245.193 -1.456 0 1 BAAF C[C@H]1C[C@@H]2OC(=O)[C@@H](CO)[C@@H]2[C@]1(O)CO 34590825 KPDCJYWUNAHYDR-RPLNLOMXSA-N 216.233 -1.100 0 1 BAAF O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1 210942377 ZZWGHMOTCPPILL-DDIGBBAMSA-N 247.203 -2.586 0 1 BAAF CO[C@@H]1[C@H](O)O[C@H](C(=O)O)[C@H](NC(C)=O)[C@H]1O 2356498846 KQFZJMGLVOZWKR-CRYJZLASSA-N 249.219 -2.331 0 1 BAAF CO[C@@H]1[C@H](O)O[C@H](C(C)=O)[C@@H](O)[C@H]1OC 2356524210 VEWIYIKLJWCBSA-GOFVFXDOSA-N 220.221 -1.317 0 1 BAAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C[C@H]1CCCO1 34605627 UIMFXMIGFPYVEY-KAMPLNKDSA-N 247.291 -2.075 0 1 BAAF NC(=O)CNCCCC[C@@H](N)C(=O)O 64634026 WSFRFBSAMZAMTL-ZCFIWIBFSA-N 203.242 -1.357 0 1 BAAF in-vitro CC(=O)OC[C@H]1O[C@H](O)C[C@@H](OC(C)=O)[C@@H]1O 139968661 TWCBKDQOLQUUDE-IMSYWVGJSA-N 248.231 -1.051 0 1 BAAF in-vivo N[C@H](C(=O)O)[C@@H](O)OS(=O)(=O)O 263620751 MNJOBAOHZQQXIK-GPKNORDASA-N 201.156 -2.464 0 1 BAAF in-vivo C[C@@H](O)[C@@H](N)C(=O)NC(CC(N)=O)=C(O)O 100388110 HDHAMZYHCHKXGN-AWFVSMACSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro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biogenic,in-vitro O=C(O)[C@H](O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 2356688979 UFMVLSNYKUXVCS-IBISWUOJSA-N 222.193 -2.697 0 1 BAAF NC1=NCNc2c1ncn2C[C@H](O)CO 28005958 BTQDXQBBHKSYBZ-YFKPBYRVSA-N 211.225 -1.675 0 1 BAAF COC[C@@H](O)CN1C(N)=N[C@H](O)[C@H]1O 31416216 UGQVZFJNVWOGMR-KVQBGUIXSA-N 205.214 -2.739 0 1 BAAF C[C@H]1O[C@H](N2CC=C[C@H](C(N)=O)C2)[C@H](O)[C@@H]1O 58649987 MYKCTORFOIHUSG-LALMQGGXSA-N 242.275 -1.574 0 1 BAAF in-vitro NCCCCC(NC(=O)[C@@H](N)CO)=C(O)O 69487920 JNAIVJSYBLHIHI-LURJTMIESA-N 233.268 -1.164 0 1 BAAF endogenous,in-vitro COC(=O)[C@H]1CO[C@@H](O)[C@H]2[C@@H]1[C@H](O)C[C@]2(C)O 238749445 NLKBOVSOZQNIHR-XGAMTPOYSA-N 246.259 -1.128 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2ccnc2)[C@H]1O 2356313637 PDGMQLZCVRCODU-DFTQBPQZSA-N 211.221 -1.133 0 1 BAAF CC1(C)O[C@@H]2C[C@](O)(C(N)=O)C[C@@H](O)[C@H]2O1 2356463826 OFKNGVGNKBZNOR-IBNKKVAHSA-N 231.248 -1.122 0 1 BAAF OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 14616899 DRDSDQVQSRICML-KVHXAGQOSA-N 242.224 -4.864 0 1 BAAF endogenous,in-man O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)C[C@H]2O)cc1F 17110260 QHTRUFIZOPJXNT-MHSYXAOVSA-N 244.222 -1.020 0 1 BAAF CO[C@H]1[C@H](O)[C@@H](O)O[C@@H]1COP(=O)(O)O 27765989 DBOUVRQJDFHHAV-MOJAZDJTSA-N 244.136 -1.811 0 1 BAAF N[C@@H](C[C@H]1CC(=O)N1CC(=O)O)C(=O)O 45321058 KLXKWRLQSFCRQU-WHFBIAKZSA-N 216.193 -1.526 0 1 BAAF CS(=O)(=O)C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 49802661 VUAKEXWBHVCSLA-PZRMXXKTSA-N 242.249 -3.169 0 1 BAAF COC(=O)[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 71789784 DICCNWCUKCYGNF-QZABAPFNSA-N 208.166 -3.041 0 1 BAAF Cc1c(C=C(CO)CO)n(C)c(=O)[nH]c1=O 72127815 BIORUVJYBNBNNA-UHFFFAOYSA-N 226.232 -1.250 0 1 BAAF in-vitro OC[C@@H](O)[C@H]1[C@H](O)[C@@H](O)[C@@H]2CCCN21 28651876 OXLUKGWOSYORHL-BGKGJTHRSA-N 203.238 -2.092 0 1 BAAF O=P(O)(O)OC[C@@H](O)P(=O)(O)O 85589011 UCAULRBMUYBLIK-REOHCLBHSA-N 222.026 -1.408 0 1 BAAF in-vitro O=C(CF)N[C@H]1[C@@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O 169339171 LMPCEKTVFVQIPT-RMJYWKLSSA-N 239.199 -3.128 0 1 BAAF O=C1C[C@@](O)(C(=O)O)[C@H](F)[C@H](O)[C@@H]1O 26398173 GSNHXQXKAOHJBD-WYWMIBKRSA-N 208.141 -2.165 0 1 BAAF C[C@H](O)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O 50028014 KBBSTKRMTXZXBS-BIIVOSGPSA-N 247.295 -1.607 0 1 BAAF endogenous,in-vitro O=C(O)[C@H](O)C[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 238734686 PDNRSANBMBLRMH-XUUWZHRGSA-N 222.193 -2.697 0 1 BAAF Cc1cncc([C@@H](O)[C@H](O)C(O)O)n1 2356330781 RIWIXLIHHPDVLT-RQJHMYQMSA-N 200.194 -1.510 0 1 BAAF NC(=O)c1ncn([C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)n1 169320961 PKSOPVRXFYTKEO-ZTYPAOSTSA-N 242.235 -2.348 0 1 BAAF OCCC[C@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 169326041 KHMSKOTZVYFFSP-XGQMLPDNSA-N 221.253 -2.826 0 1 BAAF O=C1N[C@H](C[C@@H]2CN=CN2)C(=O)N2CCC[C@@H]12 83923589 MFPVJZYQYCDQAD-HLTSFMKQSA-N 236.275 -1.134 0 1 BAAF in-vitro C[C@@]1(O)CS[C@@H](n2ccc(=O)[nH]c2=O)[C@@H]1O 96922434 YOPDPVCBYPWKOB-LKEWCRSYSA-N 244.272 -1.106 0 1 BAAF O=C(O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO 238754851 KWMLJOLKUYYJFJ-PHYPRBDBSA-N 226.181 -4.132 0 1 BAAF N[C@@H](Cn1cncc1C[C@@H](N)C(=O)O)C(=O)O 14439784 MYLPOAPVPIJSGR-RQJHMYQMSA-N 242.235 -1.751 0 1 BAAF endogenous,in-man CNC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26834073 GLOZHHWMZYAHBQ-OVHBTUCOSA-N 221.209 -3.425 0 1 BAAF C=C/C(=C/NC(=O)[C@H](O)C[C@H](N)C(=O)O)CO 215072182 VYDAYIZJJUOQMT-VFYBFDEHSA-N 244.247 -1.672 0 1 BAAF N=c1[nH]cc2nc([C@@H](O)[C@@H](O)C(=O)O)nc-2[nH]1 586891444 QJODPHPKVAIWCS-IUYQGCFVSA-N 239.191 -1.804 0 1 BAAF COCC(=O)N1CCN2C(=O)CNC(=O)[C@H]2C1 2356499058 QLMKTVKODUTIHA-SSDOTTSWSA-N 241.247 -2.198 0 1 BAAF CC(=C[C@]1(O)O[C@H](CO)[C@@H](O)C[C@H]1O)C(=O)O 2356611966 PJPNEBYGJVXUJV-WHQQTDPMSA-N 248.231 -1.791 0 1 BAAF Cc1cn(N2CC[C@H](CO)C2)c(=O)[nH]c1=O 27864829 DEXYTRRTUWIAMD-QMMMGPOBSA-N 225.248 -1.205 0 1 BAAF N=C(N)c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 49055339 ZWUAUEINCTYINW-DQUBFYRCSA-N 241.247 -1.616 0 1 BAAF N[C@@]1(C(=O)O)C[C@@]1(F)[C@@H](O)P(=O)(O)O 84690843 GJDXAHFCJIOSHJ-VPENINKCSA-N 229.100 -1.623 0 1 BAAF CO[C@@H]1[C@@H](O)[C@@H](O)[C@@H](OC)[C@H](O)[C@H]1O 238763880 DYQWYDODKPTUPA-LHUYJCHPSA-N 208.210 -2.526 0 1 BAAF Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1 6091564 OGADSZTVCUXSOK-PEBGCTIMSA-N 242.231 -1.958 0 1 BAAF biogenic,in-vivo Nc1ncnc2c1ncn2[C@@H]1CN[C@H](CO)O1 26668553 MBVIOAMRQRQQCJ-WDSKDSINSA-N 236.235 -1.155 0 1 BAAF C[C@@H](NC(=O)CP(=O)(O)O)P(=O)(O)O 28104856 DXGGCRXJCBEVBP-VKHMYHEASA-N 247.080 -1.196 0 1 BAAF C[C@H](O)C(NC(=O)[C@H](N)[C@H](C)O)=C(O)O 100388374 PJYPYOFDENTKPF-VAYJURFESA-N 220.225 -1.523 0 1 BAAF endogenous,in-vitro CN1CCN(c2nnc3nncn3n2)CC1 653835475 VJLMIRXMYKGZHY-UHFFFAOYSA-N 220.240 -1.334 0 1 BAAF N=c1ccn2c(n1)OC[C@H]1[C@H](O)[C@H](O)O[C@@H]12 8681825 DKCHEEKQJCXSTO-YDLFOAGRSA-N 225.204 -1.421 0 1 BAAF C[C@H]1N[C@](CN)(CO)[C@@H](O)[C@@H](O)[C@H]1O 36351332 AZXFRLATBKJXFM-IMFYSGRJSA-N 206.242 -3.249 0 1 BAAF C[C@H](O)[C@H](N)C(=O)NC(=C(O)O)[C@@H](C)O 100388383 PJYPYOFDENTKPF-LMVFSUKVSA-N 220.225 -1.523 0 1 BAAF endogenous,in-vitro O=P(O)(O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 254141656 DFYLWBCXEJFDNK-VANKVMQKSA-N 228.137 -2.354 0 1 BAAF Cn1c(=O)[nH]c(=O)n(C2CCC(O)CC2)c1=O 5116506 XWGDZLCXIRAUEM-UHFFFAOYSA-N 241.247 -1.289 0 1 BAAF NOCCCNCc1cc(=O)[nH]c(=O)[nH]1 58568808 VOBYLIOZIUMHFH-UHFFFAOYSA-N 214.225 -1.567 0 1 BAAF Nc1ccn([C@@H]2S[C@H](O)[C@H](O)[C@H]2O)c(=O)n1 253671800 LIZHPWUBMJLRON-GBNDHIKLSA-N 245.260 -1.889 0 1 BAAF OC(O)C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 95921664 MMUIOVYLIXVANV-CPBOMRNWSA-N 210.182 -3.513 0 1 BAAF C[C@@H](O)[C@H](O)[C@@H](O)C(=O)COP(=O)(O)O 100606345 KNYGWWDTPGSEPD-PYWDMBMJSA-N 244.136 -2.233 0 1 BAAF endogenous,in-vitro NC[C@@H]1O[C@H](CC(=O)N2CCCC2)[C@H](O)[C@H]1O 2356866093 VLXSYOLPEBTZJR-IFFSRLJSSA-N 244.291 -1.553 0 1 BAAF CC(=O)N[C@H]1C[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 28376600 PIUQLIWBULGWLI-OFPUPOEVSA-N 219.237 -2.414 0 1 BAAF O=S(=O)(O)O[C@H]1[C@H](O)O[C@H]2CO[C@@H]1[C@H]2O 53683415 BBGPRYFPTZDJIZ-HGVZOGFYSA-N 242.205 -2.349 0 1 BAAF in-vivo C[C@H](O)C(NC(=O)[C@@H](N)[C@H](C)O)=C(O)O 100388388 PJYPYOFDENTKPF-YUPRTTJUSA-N 220.225 -1.523 0 1 BAAF endogenous,in-vitro O=c1cc(O)ccn1[C@H]1C=C(CO)[C@@H](O)[C@H]1O 17193706 YLCXMFVBJWZLPP-GDPRMGEGSA-N 239.227 -1.251 0 1 BAAF O=P(O)(O)O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O 26382032 MVBSAFHMRREWNO-MBMOQRBOSA-N 230.109 -2.465 0 1 BAAF NC(=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O 26720045 UKWLGCFJAVEFPE-ZSNZIGRDSA-N 207.182 -3.686 0 1 BAAF C[C@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85809003 AJLVEHFNMNRXNI-RFYZFGSOSA-N 238.236 -2.816 0 1 BAAF in-man O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)[C@@H]2F)c(=O)[nH]1 169313344 IQKMEEPQIAMEIR-XKBZYTNZSA-N 244.222 -1.211 0 1 BAAF CC(C)C(=O)O[C@@H]1C=C(CO)[C@H](O)[C@@H](O)[C@H]1O 2356380052 PLONVEDAIPSMHF-XFWSIPNHSA-N 246.259 -1.431 0 1 BAAF O=C1O[C@](O)(CO)[C@@H]2O[C@H](O)[C@@H]3C=C[C@H]1[C@H]32 2356517852 WFOADYFXGWWIRB-DLQLMRGSSA-N 228.200 -1.640 0 1 BAAF CC=C[C@H](O)[C@H](O)C=CC(=O)OC[C@@H](O)CO 2356651726 ZNTNUBKHLXBEIN-LPEHRKFASA-N 246.259 -1.263 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)C[C@H]2O)cc1F 6523973 QHTRUFIZOPJXNT-UIISKDMLSA-N 244.222 -1.020 0 1 BAAF O=C(O)C[C@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 1857608531 LQKIDRRGMYZTDG-OUUDRWFZSA-N 221.209 -3.124 0 1 BAAF O=c1cc(O)ccn1[C@H]1C=C(CO)[C@@H](O)[C@@H]1O 6591401 YLCXMFVBJWZLPP-JMJZKYOTSA-N 239.227 -1.251 0 1 BAAF N[C@@H](CCC(=O)NC1(C(=O)O)CC1)C(=O)O 13347789 FQRKFJSYMKRNGO-YFKPBYRVSA-N 230.220 -1.088 0 1 BAAF endogenous,in-man C/C=C\[C@H](O)[C@H](O)/C=C/C(=O)OC[C@H](O)CO 83924170 ZNTNUBKHLXBEIN-KETDIPHLSA-N 246.259 -1.263 0 1 BAAF in-vitro CCOC(=O)[C@@H]1CC(=O)[C@H](O)[C@](C)(O)O1 2356711285 RDJFMOKLERHSRJ-ACLDMZEESA-N 218.205 -1.023 0 1 BAAF O=C1O[C@@H]([C@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O 16036000 NUYDBDGECBIUPJ-ARYBSUEZSA-N 238.192 -4.291 0 1 BAAF CC(C)O[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 34610196 UOEFDXYUEPHESS-XDQCBXAXSA-N 222.237 -1.789 0 1 BAAF in-man Nc1ccnc2[nH]c([C@@H](O)[C@H](O)CO)nc12 586891625 RSGTUMKPBLAUNC-VDTYLAMSSA-N 224.220 -1.073 0 1 BAAF C[C@@H](N)[C@H]1N[C@@H](CN)C(=O)N1CC(=O)O 22921361 MOTCYKZNVUEYFO-ZDLURKLDSA-N 216.241 -2.497 0 1 BAAF in-vivo NS(=O)(=O)C1=NN2CC(=O)N=C2S1 103131064 XMLAEBXTIOGZIL-UHFFFAOYSA-N 220.235 -1.509 0 1 BAAF C[C@@H]1[C@H](O)[C@H](O)[C@H]2C(C(=O)O)=COC[C@]12O 2356452671 ZCPRKXVRISCLMR-CVGFYORSSA-N 230.216 -1.296 0 1 BAAF N[C@@H]1CO[C@H](CNC(=O)N2CCOCC2)[C@@H]1O 2356653344 CGADBKNPQUQOIP-IWSPIJDZSA-N 245.279 -1.885 0 1 BAAF O=c1[nH]c(=O)n([C@H]2C[C@H](CO)C[C@@H]2O)cc1F 5640695 QHTRUFIZOPJXNT-GEVIPFJHSA-N 244.222 -1.020 0 1 BAAF CN[C@H]1C(O)[C@@H](NC)[C@H](O)C(O)[C@@H]1O 5996518 QRJMLIPXTTYRMQ-YWVWVNHFSA-N 206.242 -3.380 0 1 BAAF in-vitro N[C@@H](CC(=O)O)[C@H](O)[C@@H](O)[C@@H](N)CC(=O)O 14964382 SJDZSCFHDFZAHQ-JSKVFSMCSA-N 236.224 -2.688 0 1 BAAF OCC1=C[C@H](NC(CO)CO)[C@H](O)[C@H](O)[C@@H]1O 25991865 IPQJPZKISYBTAQ-QCLAVDOMSA-N 249.263 -3.687 0 1 BAAF Nc1ncc2ncn(OCC(CO)CO)c2n1 26145672 QMVAMZDEARZBRT-UHFFFAOYSA-N 239.235 -1.562 0 1 BAAF NC(=O)c1ncn2c1NC[C@H]1O[C@H]2[C@H](O)[C@H]1O 202094542 OOELRVWZYQGNHL-ZUAPJGPHSA-N 240.219 -1.973 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)C[C@H]1C(=O)N1CCNCC1 40476944 UQLAZUTVXXHDKL-UTINFBMNSA-N 242.323 -2.156 0 1 BAAF CN1[C@@H](CO)[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO 100806184 CVSZHOAOIZMVHV-ZXVYDBTHSA-N 207.226 -3.264 0 1 BAAF O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1F 140431833 FHJRJJBDJACZGH-BZNPZCIMSA-N 246.238 -1.016 0 1 BAAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](N)[C@@H]2O)CC1 2356535517 CBFYXAUILYZCGN-NMUGVGKYSA-N 243.307 -1.954 0 1 BAAF COC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 13761943 DDVBSNPLHUUBOJ-ZFYZTMLRSA-N 222.193 -2.998 0 1 BAAF NC1=NC(=O)N([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CN1 17061763 LJIRBXZDQGQUOO-BGPJRJDNSA-N 246.223 -3.277 0 1 BAAF O=C(O)[C@H]1CN2[C@H](N1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO 19333361 CLJMUGBMMVBGHE-CUYQCCFGSA-N 248.235 -3.872 0 1 BAAF N[C@@H](CC(=O)O)C(=O)NC(CC(=O)O)=C(O)O 69486502 PEFPSSNNCOLIIQ-VKHMYHEASA-N 248.191 -1.336 0 1 BAAF endogenous,in-vitro C[C@H](O)[C@H](N)C(=O)NC(=O)CC[C@H](N)C(=O)O 95617797 BTVBLYICTTUOEJ-VPLCAKHXSA-N 247.251 -2.471 0 1 BAAF endogenous,in-man CC(=O)N[C@H]1[C@H](O)[C@H](O)C(CO)=C[C@H]1O 2356760510 PLIJNXBKCPWNJD-BGZDPUMWSA-N 217.221 -2.494 0 1 BAAF O=[N+]([O-])O[C@H]1C[C@H](O[N+](=O)[O-])[C@@H](O)C[C@@H]1O 49111401 KYZQWVCQKNLHJE-BXKVDMCESA-N 238.152 -1.344 0 1 BAAF C[C@H]1O[C@]23N[C@@H](CNC2=NC(N)=NC3=O)[C@H]1O 85589370 JZTDUNXDDUJXRZ-PZXCLEAVSA-N 239.235 -2.723 0 1 BAAF endogenous,in-man O[C@@H]1[C@H]2O[C@@H]3[C@H]4CC[C@@H]([C@@H]([C@@H]24)[C@@H](O)[C@@H]1O)[C@H]3O 169323541 YIAMKYDKMPHMFL-HBQMUCPZSA-N 242.271 -1.517 0 1 BAAF O=C(O)[C@H](O)C[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 2356458533 PDNRSANBMBLRMH-VOQCIKJUSA-N 222.193 -2.697 0 1 BAAF N[C@@H](CC(C=C=O)=C[C@H](O)C(=O)O)C(=O)O 2356700639 DDPFUGIRVJYBMN-BQBZGAKWSA-N 229.188 -1.452 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2cccn2)[C@@H]1O 2356729090 GCDHRJCDABPPMZ-OKNNCHMLSA-N 211.221 -1.133 0 1 BAAF Nc1ncnc2c1cnn2COC[C@H](O)CO 1655126 MOYWNLMAVYKYDH-ZCFIWIBFSA-N 239.235 -1.264 0 1 BAAF O=P(O)(O)OC[C@H]1OC[C@H](O)[C@@H]1O 5850787 CYZZKTRFOOKUMT-LMVFSUKVSA-N 214.110 -1.784 0 1 BAAF in-vitro Cc1nnc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)o1 16051658 HCSFWJQLIPWUFZ-JAJWTYFOSA-N 246.219 -2.107 0 1 BAAF in-vivo O=c1ccn([C@@H]2C[C@@H](O)[C@H](CO)[C@H]2F)c(=O)[nH]1 29549596 IQKMEEPQIAMEIR-YYWONIAYSA-N 244.222 -1.211 0 1 BAAF C[C@H](O)[C@H](N)C(=O)NC(CO)=C(O)O 100388357 XEEKMPKCVYYSHL-UCORVYFPSA-N 206.198 -1.912 0 1 BAAF endogenous,in-vitro Cc1cn([C@H]2C[C@H](O)[C@@]3(O)C[C@@H]23)c(=O)[nH]c1=O 27201446 DCLURRBVGRVCIM-CIOUSYIGSA-N 238.243 -1.098 0 1 BAAF C[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O 49000097 WUBAOANSQGKRHF-JBBNEOJLSA-N 228.204 -1.824 0 1 BAAF O=C(O)[C@@]1(O)C=CC[C@@H]([C@H](O)CO)O1 58638928 ITFIFEKDEVIBCW-GKROBHDKSA-N 204.178 -1.542 0 1 BAAF in-vitro O=C1[C@H](O)C[C@@H](O)N1[C@@H]1OCC=C1CO 238731934 UQDNRNARHGVYKC-ZXFLCMHBSA-N 215.205 -1.827 0 1 BAAF N[C@H](CCC(=O)NC(=O)[C@H]1CCCN1)C(=O)O 95617784 FSGFZJVYAZKWHO-RNFRBKRXSA-N 243.263 -1.427 0 1 BAAF endogenous,in-man O=C(O)[C@H](O)[C@H](O)[C@H](O)C(O)=C(O)O 100389658 RRHDUJVJAWUZCW-GJBJXMDJSA-N 210.138 -2.003 0 1 BAAF endogenous,in-vitro O=C(O)[C@@H](O)[C@H](O)[C@H](O)C(O)=C(O)O 100389663 RRHDUJVJAWUZCW-LAMMAJBHSA-N 210.138 -2.003 0 1 BAAF endogenous,in-vitro CCOC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356579373 AFBSSPXUUHDFSU-OMKQZNDVSA-N 208.210 -2.177 0 1 BAAF C[C@H](O)[C@@H]1C=C([C@@H](O)[C@H](C)O)C(=O)O1 2356716881 ARUCEWIJCNEASJ-XVCLALHZSA-N 202.206 -1.039 0 1 BAAF O=P(O)(O)OC[C@@H]1O[C@H](O)[C@@H](F)[C@H]1O 58548773 NOTDWSJIOCLYHZ-FCAWWPLPSA-N 232.100 -1.488 0 1 BAAF CO[C@@H]([C@@H](O)C(=O)O)[C@H](O)[C@@H](O)C(=O)O 238733406 MDGDZMIEJCCPTI-TXICZTDVSA-N 224.165 -2.747 0 1 BAAF OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1OSO 584905272 LYKOPFRBCNKSPJ-UKFBFLRUSA-N 228.222 -2.076 0 1 BAAF in-vitro C[C@H](O)CC[C@@H]1C[C@@H]2[C@H](O)[C@@H](O)[C@H](CO)N2C1 2356786185 ZHRACUBTVDAPDC-DOUOGLJNSA-N 245.319 -1.066 0 1 BAAF CSCn1nnc2c(C(N)=O)ncn2c1=O 43206590 FDLXKPRCHATGIS-UHFFFAOYSA-N 240.248 -1.295 0 1 BAAF NC(=O)CCC(NC(=O)[C@@H](N)CO)=C(O)O 100387968 ZYBDRXRDQPUBPI-BYPYZUCNSA-N 233.224 -2.027 0 1 BAAF endogenous,in-vitro NCCCCO[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 221556276 OXDSYOVQICZLBQ-BZNPZCIMSA-N 221.253 -1.819 0 1 BAAF in-vitro O=C1NC=CCN1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 28770721 CLYMITNIBJMMTR-YWIQKCBGSA-N 230.220 -2.036 0 1 BAAF O=C(O)[C@H](O)C[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356458531 PDNRSANBMBLRMH-PZRMXXKTSA-N 222.193 -2.697 0 1 BAAF CO[C@@H]1[C@@H]2CC(=O)OC[C@@H]2[C@](O)(CO)[C@@H]1O 2356593251 CMJIOWDIGPEACH-MMXSIBGTSA-N 232.232 -1.721 0 1 BAAF Cc1cn(C[C@]2(CO)C[C@H]2CO)c(=O)[nH]c1=O 6523395 NTAWFMOXHYXRGL-KWQFWETISA-N 240.259 -1.164 0 1 BAAF O=C1NC(=O)[C@]2(N1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 13863725 QRXBDPYWCAAAAI-UXDJRKLDSA-N 248.191 -4.004 0 1 BAAF in-vivo COC(=O)C1=C[C@@](OC)(C(=O)OC)C(=O)N1 14691649 IHKHEVBXNCFUTM-VIFPVBQESA-N 229.188 -1.269 0 1 BAAF O=P(O)(O)CC1=C[C@H](O)[C@H](O)[C@@H](CO)O1 29469390 QQNVEJIGXMEGCD-XVMARJQXSA-N 240.148 -1.839 0 1 BAAF Nc1nc2[n+](cc1F)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1N2 169318507 KXFHJSFWFXVYAA-BYPJNBLXSA-O 243.218 -1.865 0 1 BAAF CCCCO[C@@]1(O)COC[C@@H](O)[C@@H](O)[C@H]1O 299868462 RKNUEEMZJSUPGY-KYXWUPHJSA-N 236.264 -1.395 0 1 BAAF N=C(N)NCCCC(=O)NCC(N)=O 45188452 RLLRNWYGXTWKIA-UHFFFAOYSA-N 201.230 -2.149 0 1 BAAF C[C@@H](O)C(NC(=O)[C@@H](N)[C@@H](C)O)=C(O)O 100388377 PJYPYOFDENTKPF-WDCZJNDASA-N 220.225 -1.523 0 1 BAAF endogenous,in-vitro N=C(N)c1ncn([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n1 5883191 NHKZSTHOYNWEEZ-WVBYAZCYSA-N 243.223 -2.826 0 1 BAAF C/C=C(\C)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14590684 RQSHFEQQQBCYNX-YICMPYBSSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man NC1=NC=N[C@H]2[C@@H]1N=CN2[C@@H]1CC[C@@H](CO)O1 169317901 BMMDHYHZUNLVLO-QHOPCYEYSA-N 237.263 -1.079 0 1 BAAF CO[C@@H]1[C@H](O)O[C@@H](C(=O)O)[C@H](N)[C@H]1O 238751309 WVDPHOMCWSSULL-HDKRMDIKSA-N 207.182 -2.509 0 1 BAAF O[C@@H]1[C@H]2O[C@@H]3[C@H]4CC[C@H]([C@H]3O)[C@H]([C@@H]24)[C@@H](O)[C@@H]1O 299804833 YIAMKYDKMPHMFL-XZUNSBDJSA-N 242.271 -1.517 0 1 BAAF O=c1nc(O)ccn1C[C@@H]1O[C@H](O)[C@H](O)[C@H]1O 2356466184 WGDUUQDYDIIBKT-JPCMASIJSA-N 244.203 -2.612 0 1 BAAF Cc1nn(C[C@H]2CO[C@H](CO)O2)c(=O)[nH]c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c1nc2ncc[nH]c-2n1 586888390 KEVOOHYZBVKOIP-IUYQGCFVSA-N 224.176 -1.217 0 1 BAAF CC1(C)O[C@H]2[C@@H](O)C[C@@](O)(C(N)=O)C[C@H]2O1 6257691 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40641589 ZFCPMBQNQOPXLN-XDQCBXAXSA-N 247.247 -2.893 0 1 BAAF O=C1NC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49048595 CLYMITNIBJMMTR-WCTZXXKLSA-N 230.220 -2.036 0 1 BAAF O=C1N[C@@H](O)CCN1[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 169303215 UCKYOOZPSJFJIZ-YOWKYNACSA-N 248.235 -2.841 0 1 BAAF COC(OC)[C@@H](OC)[C@@H]1OC[C@H](O)[C@H]1O 238734443 DRCOHCBNHHWVQJ-OSMVPFSASA-N 222.237 -1.259 0 1 BAAF O=C(O)[C@@H](O)[C@H](O)c1nc2cnncc2[nH]1 586888345 JVSDQPFRCLCHIL-WDSKDSINSA-N 224.176 -1.168 0 1 BAAF N[C@H](C(=O)O)C1[C@H](C(=O)O)[C@@H]1C(=O)O 3995768 MATPZHBYOVDBLI-XABMDNGQSA-N 203.150 -1.570 0 1 BAAF in-vitro NC(=O)[C@]1(O)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 26731849 DTZYCNDAJQDPQC-SDDMPLOYSA-N 223.181 -4.366 0 1 BAAF NCC(=O)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29233211 AVDOUEOFSCXBTB-KYEGTCRESA-N 236.224 -4.139 0 1 BAAF Cc1cn(N2C[C@@H](CO)[C@@H](O)C2)c(=O)[nH]c1=O 58678013 YMUQKZLGXINIHX-YUMQZZPRSA-N 241.247 -2.234 0 1 BAAF CC1=CN2[C@H](NC1=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]12 169319608 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JJFGFASKBCXOBF-MMHUYZLBSA-N 237.219 -1.839 0 1 BAAF biogenic,in-vitro C[C@@H]1N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1 584905176 XWPUWEBFKDEDIF-CVBHLRHXSA-N 221.278 -1.524 0 1 BAAF in-vitro N[C@@H](CN[C@H](CCC(=O)O)C(=O)O)C(=O)O 2356346745 XYQHCOGLGSNTNV-CRCLSJGQSA-N 234.208 -1.694 0 1 BAAF C[C@@H]1NC(=N)N2CC[C@H](O)[C@@]23NC(=N)N[C@H]13 2356852586 QREWPEMPVQOBAA-OLNRIVSGSA-N 224.268 -1.828 0 1 BAAF C[C@@H]1N[C@](CN)(CO)[C@@H](O)[C@@H](O)[C@@H]1O 27074036 AZXFRLATBKJXFM-GWVFRZDISA-N 206.242 -3.249 0 1 BAAF O=S1(=O)NC[C@@H]2[C@@H](O)[C@H](O)[C@H](O)[C@H](O)N21 29042140 POMZIHCIGJAORG-PQMKYFCFSA-N 240.237 -4.080 0 1 BAAF CCCCN1[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO 100806190 ZQVLWTTWYIVORB-GDVKLSCPSA-N 249.307 -2.093 0 1 BAAF O=C(O)[C@H](O)[C@H](O)c1nc2c(O)ncnc2[nH]1 586885161 BPUKRPLIHYDOES-IUYQGCFVSA-N 240.175 -1.463 0 1 BAAF COC[C@H]1O[C@H](O)[C@@H](O)[C@H](OC)[C@H]1O 2356710047 HXTJYTSBXOATMS-HNEXDWKRSA-N 208.210 -1.913 0 1 BAAF O=c1ccn(C[C@@]2(CO)C[C@@H]2CO)c(=O)[nH]1 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214.110 -1.784 0 1 BAAF in-vivo O=c1[nH]c(=O)n([C@@H]2OC[C@@H](O)[C@H]2O)cc1F 25991721 DXLBHTLMVGZLFO-WYDQCIBASA-N 232.167 -2.074 0 1 BAAF O=C(N[C@@H](CO)C(=O)O)C1=CC(O)=CN[CH]1 2356816797 HQULHVNSEPQCMP-ZETCQYMHSA-N 227.196 -1.361 0 1 BAAF O=c1ccn([C@H]2C[C@@H](O)[C@@H](CO)C2)c(=O)[nH]1 5409618 JIFXFEDXEKJYAE-BWZBUEFSSA-N 226.232 -1.159 0 1 BAAF C=Cc1cn(COC(CO)CO)c(=O)[nH]c1=O 26736322 YABLVCZQZKBEEI-UHFFFAOYSA-N 242.231 -1.493 0 1 BAAF CCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@@H]1O 40743397 LIHFRDUKHROKTG-YTWAJWBKSA-N 231.292 -1.240 0 1 BAAF C[C@H](O)[C@H](N)C(=O)NC(CC(N)=O)=C(O)O 100388121 HDHAMZYHCHKXGN-DZSWIPIPSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro O=c1ccn(C[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1 204552956 GLZISXWAKLVSKD-GJMOJQLCSA-N 242.231 -1.953 0 1 BAAF CC(=O)[C@@H](O)C(O)(O)COP(=O)(O)O 15894688 RKCAPQYKXONRSI-SCSAIBSYSA-N 230.109 -2.274 0 1 BAAF in-vitro COC(=O)/C=C/C(=O)N[C@H](N)C(=O)O 29470846 KDBDBYRRGPLDOL-SZKDQXIBSA-N 202.166 -1.799 0 1 BAAF NC(=O)C1=C[C@@H]2[C@@H]3C=C[C@]2(O)C(=O)O[C@@H]3O1 105414268 OXSZHYWOGQJUST-QIEDJCKDSA-N 223.184 -1.198 0 1 BAAF NCC[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26831645 BNFUZESWWRCHFC-TXXZRHAASA-N 207.226 -2.822 0 1 BAAF CC(=O)OC[C@H](CO)NC(=O)[C@H](N)CC(=O)O 27653912 PHMKDXMOTNWMDM-NKWVEPMBSA-N 248.235 -2.171 0 1 BAAF O=c1ccn([C@@H]2C[C@H](O)[C@H](CO)[C@H]2F)c(=O)[nH]1 29549589 IQKMEEPQIAMEIR-VOQBNFLRSA-N 244.222 -1.211 0 1 BAAF C[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1oc(=O)[nH]c1=O 169319147 VTSDWRVQKWLLHZ-ARQDHWQXSA-N 232.192 -1.984 0 1 BAAF CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](OC)[C@@H]1O 2356381475 OETRAPPMILRBSS-DWOUCZDBSA-N 208.210 -1.913 0 1 BAAF CC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 2356581591 BMELUBMFZWGHLD-UOLFYFMNSA-N 206.194 -2.582 0 1 BAAF CC(=O)NCNC(=O)C[C@@H](N)CCCN 5855733 KHQKSLLDPKXNGB-QMMMGPOBSA-N 216.285 -1.348 0 1 BAAF biogenic CO[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](O)[C@@H]1O 253803489 DBOUVRQJDFHHAV-SLPGGIOYSA-N 244.136 -1.811 0 1 BAAF C[C@@H]1COC[C@@H]2O[C@H](O)[C@H](O)[C@H](O)[C@@H]2O1 2356543011 JDTMOBCXZZCLPF-WREUEQLWSA-N 220.221 -1.771 0 1 BAAF O=P(O)(O)CC1=C[C@@H](O)[C@H](O)[C@@H](CO)O1 29469384 QQNVEJIGXMEGCD-QYNIQEEDSA-N 240.148 -1.839 0 1 BAAF O=C(O)[C@H](O)[C@H](O)c1nc2cnncc2[nH]1 586888313 JVSDQPFRCLCHIL-NTSWFWBYSA-N 224.176 -1.168 0 1 BAAF O=C1O[C@@H]([C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O 16036002 NUYDBDGECBIUPJ-ABXOWTNVSA-N 238.192 -4.291 0 1 BAAF NCC[C@@H](NC(=O)[C@@H](N)CN)C(=O)O 26828517 UVBSHPDHYNSGGM-CRCLSJGQSA-N 204.230 -2.809 0 1 BAAF NC1=NC(=O)[C@H]2N=CN([C@H]3C=C[C@H](CO)O3)C2=N1 29478756 VMFYYVYXGAIDNC-QYNIQEEDSA-N 249.230 -1.774 0 1 BAAF N=c1[nH]cc2nc([C@H](O)[C@H](O)CO)nc-2[nH]1 586887331 FDAHFOAVAQSLCO-RFZPGFLSSA-N 225.208 -1.896 0 1 BAAF C[C@@H]1CO[C@@H]2[C@H](CO)O[C@H](O)[C@H](O)[C@@H]2O1 2356539738 ZAQCDRFZMLGXDQ-JPFOUYRMSA-N 220.221 -1.771 0 1 BAAF O=C1C[C@@](O)(C(=O)O)[C@H](F)[C@@H](O)[C@H]1O 26398169 GSNHXQXKAOHJBD-HHJANIIPSA-N 208.141 -2.165 0 1 BAAF O=P(O)(O)OC[C@H]1O[C@H](O)[C@@H](F)[C@@H]1O 27766760 NOTDWSJIOCLYHZ-LECHCGJUSA-N 232.100 -1.488 0 1 BAAF in-vitro C[C@H](O)[C@@H](NC(=O)CP(=O)(O)O)C(=O)O 28898738 LUXRBCGHLBPAKR-WVZVXSGGSA-N 241.136 -1.886 0 1 BAAF COC(OC)[C@@H](O)[C@@H]1OC[C@H](O)[C@H]1O 148344062 NEVJSDCAIXBUDB-BNHYGAARSA-N 208.210 -1.913 0 1 BAAF CN(C)CCN1CN[C@@H]2NC(=O)NC(=O)[C@@H]21 618016485 GCUNOTJXXQHWJR-RNFRBKRXSA-N 227.268 -2.055 0 1 BAAF CC(=O)N[C@H]1C[C@@](N)(C(=O)O)[C@@H]2[C@@H](C(=O)O)[C@H]12 3989420 APZIMAYYQKOWFP-ONZQZHTRSA-N 242.231 -1.376 0 1 BAAF OC([C@@H]1OCOC[C@@H]1O)[C@@H]1OCOC[C@H]1O 16891518 PAWRQYAKFMEQEL-BGQUYEIXSA-N 236.220 -2.185 0 1 BAAF O=P(O)(O)OC[C@@H]1C[C@H](O)[C@H](O)O1 261149427 OOLHLHJSMUTTHE-VAYJURFESA-N 214.110 -1.436 0 1 BAAF OCO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 2356442918 UPBTZFSUWBIION-GEGSFZHJSA-N 210.182 -3.861 0 1 BAAF NCCO[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O 535386614 GXQSUNKWOCXWIN-UQGZVRACSA-N 237.208 -3.146 0 1 BAAF in-vitro O=C1NC=CCN1[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O 34804632 CLYMITNIBJMMTR-OSMVPFSASA-N 230.220 -2.036 0 1 BAAF O=c1ccn([C@@H]2CO[C@H](CO)[C@H]2CO)c(=O)[nH]1 3784788 ASUZYLVDZUYEPF-XLPZGREQSA-N 242.231 -1.923 0 1 BAAF N=C(/C=c1\cnc2c(n1)N=NNC=2O)CC(=O)O 238740105 WRWGUZHCAISBOM-KTKHZRQOSA-N 248.202 -1.023 0 1 BAAF C1CNC(NCCNCCNC2=NCCN2)=N1 26389396 UNYZLWUWXNCMLM-UHFFFAOYSA-N 239.327 -2.326 0 1 BAAF O=C(O)[C@@H]1C[C@H]([C@]2(O)OC[C@@H](O)[C@H]2O)C(=O)N1 2356507640 ZFMUVQSKECLHAK-KIBDTALCSA-N 247.203 -2.984 0 1 BAAF O=c1cnn([C@@H]2O[C@H](O)[C@H](O)C[C@H]2O)c(=O)[nH]1 2135914 FOQXRBMDKGMLOC-VLVWYGMNSA-N 245.191 -3.109 0 1 BAAF biogenic Nc1nc(C[C@H](O)CO)nc2[nH]cnc12 49035547 LNSNHUUHIDLEOY-BYPYZUCNSA-N 209.209 -1.169 0 1 BAAF C[C@@H](O)[C@H](N)C(=O)NC(CCC(=O)O)=C(O)O 100388180 NQWARYHDIUAWQF-FBCQKBJTSA-N 248.235 -1.039 0 1 BAAF endogenous,in-vitro COC(=O)/C=C/C(=O)NC[C@H](N)C(N)=O 205263992 MHTMKUIJXROFAD-HRJJCQLASA-N 215.209 -2.356 0 1 BAAF N[C@@H]1CO[C@@H](CNC(=O)c2ccncc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in-vitro CO[C@@H]1O[C@H](CNC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O 96174771 STALKXWWDPBKMN-GOFVFXDOSA-N 235.236 -2.424 0 1 BAAF NC(=O)CC(NC(=O)[C@H](N)CC(N)=O)=C(O)O 100386010 GTOFUMBKKUBLPZ-GSVOUGTGSA-N 246.223 -2.534 0 1 BAAF endogenous,in-vitro Cc1cn([C@H]2C[C@H](O)[C@H](CO)O2)c(=O)nc1N 3871149 LUCHPKXVUGJYGU-BIIVOSGPSA-N 241.247 -1.225 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@@H](O)[C@@H](O)NO 5829813 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-1.956 0 1 BAAF O=c1ncncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 2356713677 OSLBPVOJTCDNEF-MVIOUDGNSA-N 229.192 -2.750 0 1 BAAF OC[C@@H](O)[C@@H]1O[C@@H]2NC(=S)O[C@@H]2[C@@H]1O 15962125 PKBVCSNCOXHULL-DVKNGEFBSA-N 221.234 -2.301 0 3 BAAF O=C1N[C@H](O)C=CN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 5835192 LUOTYVSEHPPZEM-FMDGEEDCSA-N 246.219 -2.717 0 1 BAAF in-vitro O=C(O)[C@@]1(O)C[C@@H](O)[C@H](O)[C@@H]([C@@H](O)CO)O1 12503740 NNLZBVFSCVTSLA-USOLSPIOSA-N 238.192 -3.377 0 1 BAAF C[C@@H](O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14679793 AJLVEHFNMNRXNI-ZYWBIDCJSA-N 238.236 -2.816 0 1 BAAF endogenous,in-man COC[C@H]1O[C@H](O)[C@@H](OC)[C@@H](OC)[C@@H]1O 59588364 LXJBARMBDDODTG-DFTQBPQZSA-N 222.237 -1.259 0 1 BAAF biogenic,in-vitro O=C(O)[C@H](CCO)NCC[C@@H](O)C(=O)O 13374814 YVTYLIZWVFUUMH-NTSWFWBYSA-N 221.209 -1.753 0 1 BAAF endogenous,in-man O=C1C[C@]2(CO1)CO[C@@]1(CO)CC(=O)O[C@@H]21 35837512 TVSNWZPMYISSOD-LPEHRKFASA-N 228.200 -1.004 0 1 BAAF CO[C@@H]1[C@@H](O)O[C@H](C(C)=O)[C@@H](O)[C@H]1OC 238764802 VEWIYIKLJWCBSA-HXLXBVJFSA-N 220.221 -1.317 0 1 BAAF O=[N+]([O-])O[C@H]1C[C@@H](O[N+](=O)[O-])[C@H](O)C[C@@H]1O 253651115 KYZQWVCQKNLHJE-FBXFSONDSA-N 238.152 -1.344 0 1 BAAF Cc1nc(N)nn1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 254239096 XTVAFVSOEHBQPC-BDVNFPICSA-N 230.224 -2.220 0 1 BAAF NC[C@H](N)Cn1cc(F)c(O)nc1=O 263621327 ZBKWVMMCABYTAU-BYPYZUCNSA-N 202.189 -1.626 0 1 BAAF in-vitro O=C(O)[C@]1(O)C[C@@H](O)[C@H](O)[C@@H]([C@@H](O)CO)O1 1857576993 NNLZBVFSCVTSLA-GTEJVURCSA-N 238.192 -3.377 0 1 BAAF NC(=O)N1CC[C@@H]2[C@H]1C(=O)N2S(=O)(=O)O 72107721 WOZXBMRGQVWNEP-DMTCNVIQSA-N 235.221 -1.847 0 1 BAAF Nc1cn([C@H]2C[C@@H](CO)[C@H](O)C2)c(=O)[nH]c1=O 3653563 MYKYWKUWDWHPAJ-VMHSAVOQSA-N 241.247 -1.577 0 1 BAAF O=c1ccn([C@@H]2CC[C@@H](O)C[C@@H]2O)c(=O)[nH]1 26575439 QCWRCSVWKQHAQW-PRJMDXOYSA-N 226.232 -1.017 0 1 BAAF O=C(O)C1=NO[C@@H]2[C@@H](C(=O)O)NC[C@H]12 6019237 ULOMWNFIAPFOOE-ZBCLXGQLSA-N 200.150 -1.502 0 1 BAAF Cc1nc(N)nn1[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 31821235 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C[C@@H]1O[C@@H](OC(CO)CO)[C@@H](O)[C@H](O)[C@@H]1O 238758807 ZVTDSJFUFCKPJJ-VDTAYCBBSA-N 238.236 -2.816 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O 2356317168 UBXDUQZBZKTGSW-URLGYRAOSA-N 242.168 -2.756 0 1 BAAF OC[C@@H]1O[C@](O)([C@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O 2356420168 QVTGRTRPQZINRF-JMHNFOGYSA-N 240.208 -4.498 0 1 BAAF C[C@@H](OC(=O)C[C@@H](N)C(=O)O)C(=O)O 64417330 CWUGTWXZZHPDGI-QWWZWVQMSA-N 205.166 -1.195 0 1 BAAF in-vitro CC(C)N1C[C@@H]2OCC(=O)N(CC(N)=O)[C@H]2C1 2356286162 WHAOZVIHRNGELJ-IUCAKERBSA-N 241.291 -1.208 0 1 BAAF C[C@@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@H]1O 2356316341 XXQFKXPJJNBLSU-NEEWWZBLSA-N 214.110 -1.438 0 1 BAAF Cn1c(N)nc2c(ncn2COCCO)c1=O 1533112 YUYWPANFAWBVET-UHFFFAOYSA-N 239.235 -1.321 0 1 BAAF COCC(=O)N1CCN2C(=O)CNC(=O)[C@@H]2C1 4260010 QLMKTVKODUTIHA-ZETCQYMHSA-N 241.247 -2.198 0 1 BAAF biogenic Nc1cn([C@@H]2C[C@H](O)[C@@H](CO)C2)c(=O)[nH]c1=O 17126643 MYKYWKUWDWHPAJ-CHKWXVPMSA-N 241.247 -1.577 0 1 BAAF 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NCC[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29241932 BNFUZESWWRCHFC-PVFLNQBWSA-N 207.226 -2.822 0 1 BAAF OC[C@@H](O)[C@@H](O)c1nc2cnncc2[nH]1 586886595 BWWMBHOJEWVZFI-RNFRBKRXSA-N 210.193 -1.261 0 1 BAAF CCn1nnc(O)c1C[C@@H](N)C(=O)O 1857585527 ROBLGUMDXHEHOO-SCSAIBSYSA-N 200.198 -1.042 0 1 BAAF O=c1nc(O)n(COCCO)c2no[n+]([O-])c12 299841018 XKKWCPOPAAOFQB-UHFFFAOYSA-N 244.163 -2.310 0 1 BAAF CCCCO[C@]1(O)COC[C@H](O)[C@H](O)[C@H]1O 2356330423 RKNUEEMZJSUPGY-AXTSPUMRSA-N 236.264 -1.395 0 1 BAAF CCOC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356579374 AFBSSPXUUHDFSU-RZUNNTJFSA-N 208.210 -2.177 0 1 BAAF O=C1N[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)N1 5131822 NWQUMNKTNQQHPK-ZSNZIGRDSA-N 222.197 -3.939 0 1 BAAF in-vitro O=C1N[C@@H](O)CCN1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 26471222 UCKYOOZPSJFJIZ-IMFYSGRJSA-N 248.235 -2.841 0 1 BAAF CCc1cn([C@@H]2CO[C@H](CO)O2)c(=O)[nH]c1=O 29467505 MQIOVDMRXPEOOA-YUMQZZPRSA-N 242.231 -1.037 0 1 BAAF CN(C)C1=N[C@H]2[C@@H](O1)[C@@H](CO)[C@@H](O)[C@H]2O 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NCC(=O)N[C@H]1CCC(=O)N(CC(=O)O)C1=O 49089442 OAAMKOCGCZYVSQ-YFKPBYRVSA-N 243.219 -2.337 0 1 BAAF COC[C@H]1O[C@@H](O)[C@@H](OC)[C@@H](OC)[C@@H]1O 33945184 LXJBARMBDDODTG-XGQMLPDNSA-N 222.237 -1.259 0 1 BAAF C/C=C(\C)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 86049920 RQSHFEQQQBCYNX-FWUNOCISSA-N 248.275 -1.231 0 1 BAAF in-man NC1=NC(=O)[C@H]2N=CN([C@H]3C=C[C@@H](CO)O3)C2=N1 169310968 VMFYYVYXGAIDNC-XVMARJQXSA-N 249.230 -1.774 0 1 BAAF CCCCN[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 169330493 HCQHRLQIABKIDK-SVSWQMSJSA-N 219.281 -1.408 0 1 BAAF O=P(O)(O)OC[C@@H]1C[C@@H](O)[C@H](O)O1 33801661 OOLHLHJSMUTTHE-VPENINKCSA-N 214.110 -1.436 0 1 BAAF in-vitro O=C1O[C@H]([C@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O 169294045 NUYDBDGECBIUPJ-IEMWZLDZSA-N 238.192 -4.291 0 1 BAAF CN(C)CCN1CN[C@H]2NC(=O)NC(=O)[C@@H]21 618016487 GCUNOTJXXQHWJR-RQJHMYQMSA-N 227.268 -2.055 0 1 BAAF O=C1NC(=S)N[C@@]12O[C@H](CO)[C@@H](O)[C@H]2O 39170673 SZGKBFNECPDCCH-GTBMBKLPSA-N 234.233 -3.200 0 1 BAAF NC(=O)CC[C@H](N)C(=O)NC(CO)=C(O)O 100386493 BMKVIQRDFGZNHC-BYPYZUCNSA-N 233.224 -2.027 0 1 BAAF endogenous,in-vitro OC[C@H]1CC[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 238773342 FUAWVOXVXRKFNV-JGKVKWKGSA-N 203.238 -2.092 0 1 BAAF COC(=O)CCCN1C(=O)N[C@H]2NC(=O)N[C@@H]21 205373 QLUUXHHYAMBLSN-RNFRBKRXSA-N 242.235 -1.070 0 1 BAAF COC(=O)CCCN1C(=O)N[C@@H]2NC(=O)N[C@H]21 205378 QLUUXHHYAMBLSN-BQBZGAKWSA-N 242.235 -1.070 0 1 BAAF O=P(O)(O)CC[C@H](O)[C@@H](O)[C@@H](O)CO 27768145 QXPQOXIXCPBBCU-HCWXCVPCSA-N 230.153 -2.371 0 1 BAAF C[C@@H](N)C(=O)N[C@H]1CO[C@H](O)[C@@H](N)[C@@H]1O 238769437 XZCFXWQEALCPOV-GTEJVURCSA-N 219.241 -3.145 0 1 BAAF O=S(=O)(NO)N[C@@H]1C=C[C@H](O)CO1 299820919 DBEVYDLFTVHBDS-WHFBIAKZSA-N 210.211 -1.927 0 1 BAAF O=P(O)(OCC(O)O)OCC(O)O 5500750 UNIJAFGPQAOCTO-UHFFFAOYSA-N 218.098 -2.259 0 1 BAAF CN(C)c1c([C@@H]2C[C@H](O)[C@H](CO)O2)c(=O)c1=O 5922790 LMWTXQXIXVGRBA-ACZMJKKPSA-N 241.243 -1.468 0 1 BAAF COC[C@@H](O)CN1C(N)=N[C@H](O)[C@@H]1O 17188390 UGQVZFJNVWOGMR-JKUQZMGJSA-N 205.214 -2.739 0 1 BAAF COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26839656 DDVBSNPLHUUBOJ-IBISWUOJSA-N 222.193 -2.998 0 1 BAAF CNc1c(N(C)C=O)c(=O)n(C)c(=O)n1C 38847077 QASRNVMVWIIWKE-UHFFFAOYSA-N 226.236 -1.282 0 1 BAAF OCCO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356677533 SMORULFPMBCEPX-RZUNNTJFSA-N 224.209 -3.205 0 1 BAAF O=c1[nH]c(=O)n(COC(CO)CO)cc1CO 35976498 IKKFZBLTLHIJJF-UHFFFAOYSA-N 246.219 -2.644 0 1 BAAF CNC(=O)CNC(=O)c1c(O)c(=O)ccn1C 36519351 ZRIIYHRZMSXNFN-UHFFFAOYSA-N 239.231 -1.433 0 1 BAAF O=P(O)(O)OC[C@H]1C[C@@H](O)[C@@H](O)O1 27767239 OOLHLHJSMUTTHE-WDCZJNDASA-N 214.110 -1.436 0 1 BAAF CCc1cn([C@H]2CO[C@H](CO)O2)c(=O)[nH]c1=O 29467508 MQIOVDMRXPEOOA-SFYZADRCSA-N 242.231 -1.037 0 1 BAAF O=[N+]([O-])O[C@@H]1CC[C@@H](O[N+](=O)[O-])[C@@H](O)[C@@H]1O 43024151 UUWYEFLMUYTPBD-KVTDHHQDSA-N 238.152 -1.344 0 1 BAAF NC(=O)c1ncnn1[C@@H]1O[C@H](CO)[C@@H](N)[C@H]1O 169319713 SKDWPACQWJERKL-AFCXAGJDSA-N 243.223 -3.045 0 1 BAAF CNc1nnnn1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 263608570 UCKXZCWXRRSJMW-DPYQTVNSSA-N 231.212 -2.674 0 1 BAAF Nc1ncnc2[nH]c([C@H](O)[C@H](O)CO)nc12 586887029 DBYDSCGRBJRMGZ-NQXXGFSBSA-N 225.208 -1.678 0 1 BAAF O=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 253778947 KOCMVSNGUFLMHS-ZOQUXTDFSA-N 228.204 -2.145 0 3 BAAF O=S(=O)(NO)N[C@H]1C=C[C@H](O)[C@@H](CO)O1 299839536 YNOUTKZCIPELSY-KVQBGUIXSA-N 240.237 -2.566 0 1 BAAF CC(=O)N[C@@H](CCCN)C(=O)NCC(N)=O 1911584970 WVIRILBAPZKFIO-ZETCQYMHSA-N 230.268 -2.169 0 1 BAAF COC1=CC(=O)O[C@H]2[C@H](O)OC[C@@H](O)[C@@H]12 1857566184 JGYHVJAGBMIBJB-CNOPELTASA-N 216.189 -1.232 0 1 BAAF O=c1ccn([C@H]2C[C@H](O)[C@@]3(O)C[C@@H]23)c(=O)[nH]1 27194810 ZAGMCWYAGPLITN-ZFVDQJKFSA-N 224.216 -1.407 0 1 BAAF OC[C@@H]1C[C@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 28654685 FKQQQROPNALGDM-ARADLNFTSA-N 219.237 -3.121 0 1 BAAF COCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1C 29132558 OXORFQAJXZWKQU-BZNPZCIMSA-N 205.254 -1.580 0 1 BAAF C[C@]1(CO)[C@H](C(=O)O)N2C(=O)C[C@@H]2S1(=O)=O 169320160 RABYNCJYHSXOAS-HAFWLYHUSA-N 249.244 -1.823 0 1 BAAF CO[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]2NC(=O)C(=O)N21 2356635364 YINZYTTZHLPWBO-UEMWIJBDSA-N 232.192 -3.660 0 1 BAAF C[C@H](C(=O)N[C@@](C)(CO)C(=O)O)[C@@H](O)[C@@H](C)O 33753296 XXCXSSMNJUZBQI-DHCFDGJBSA-N 249.263 -1.684 0 1 BAAF in-vitro O=c1cc[nH]c(=O)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1754900 NBNBAENCKIJZAH-XVFCMESISA-N 244.203 -2.852 0 1 BAAF biogenic NC(=O)c1coc([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n1 5809057 YSRISZVOJDAOFB-VZFHVOOUSA-N 244.203 -2.073 0 1 BAAF CCCCN[C@H]1C=C(CO)[C@H](O)[C@@H](O)[C@@H]1O 28010288 LIHFRDUKHROKTG-UKKRHICBSA-N 231.292 -1.240 0 1 BAAF C[C@H]1O[C@@H](n2nc(C(=N)N)nc2N)[C@@H](O)[C@H]1O 40477030 IFDCMBFKECZASX-BMOCKJADSA-N 242.239 -2.217 0 1 BAAF CC(=O)N[C@H]1C[C@@H](O)[C@H](O)[C@H](O)[C@@H]1C 263620643 KFWZFLHIHNMMRU-ACWCSBLCSA-N 203.238 -1.386 0 1 BAAF in-vitro Nc1ccnc2[nH]c([C@@H](O)[C@@H](O)CO)nc12 586891623 RSGTUMKPBLAUNC-FSPLSTOPSA-N 224.220 -1.073 0 1 BAAF O=P(O)(O)COC[C@H](O)Cn1cncn1 27632993 HONDKTSBXOHPBE-ZCFIWIBFSA-N 237.152 -1.209 0 1 BAAF CC(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 28127301 QTXJBHLJGBVVJA-CBHQDSPSSA-N 235.236 -3.035 0 1 BAAF C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 69480598 GGWZPCSVNVCONW-RXRWUWDJSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro Cc1c(C=C(CO)CO)[nH]c(=O)[nH]c1=O 95921054 IYYCMOUEXPXAQM-UHFFFAOYSA-N 212.205 -1.260 0 1 BAAF in-vitro O=C1N[C@](O)(CO)C(=O)N/C1=C/c1ccccc1 238787883 UGVGDXQGYRZIDA-LZGFCCKTSA-N 248.238 -1.046 0 1 BAAF CCCn1nc(C[C@H](N)C(=O)O)c(=O)[nH]1 1857552320 FGCRXYQHIDORDD-YFKPBYRVSA-N 214.225 -1.064 0 1 BAAF CC1=C[C@H]([C@H](O)[C@H](O)[C@@H](C)O)OC1=O 2356722475 IRFQGMAASYXYIA-XUTVFYLZSA-N 202.206 -1.039 0 1 BAAF O=c1ncccn1[C@H]1O[C@H](CO)[C@H](O)[C@@H]1O 14806931 RPQZTTQVRYEKCR-KVPKETBZSA-N 228.204 -2.145 0 1 BAAF in-vitro,metabolite CC(=O)[C@H](O)[C@@H](O)C(=O)COP(=O)(O)O 62237181 XBUYIELOLLPBOC-WDSKDSINSA-N 242.120 -2.024 0 1 BAAF endogenous,in-vitro N=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)[nH]c1=O 143759625 IDGSINFKTPAQKG-JXOAFFINSA-N 243.219 -2.733 0 1 BAAF NC(=O)BCCN[C@H](CC(=O)O)C(=O)O 195470537 MFQNNVXPZVHEPR-SCSAIBSYSA-N 216.002 -1.563 0 1 BAAF O=c1ccn(C[C@]2(CO)C[C@H]2CO)c(=O)[nH]1 26716752 GNBGMWWIIRFXFM-XVKPBYJWSA-N 226.232 -1.473 0 1 BAAF O=C(O)[C@H](O)[C@H](F)[C@H](O)COP(=O)(O)O 27768011 KHSAZEWIUZLRLB-BXXZVTAOSA-N 248.099 -1.760 0 1 BAAF C[C@H](O)C(NC(=O)[C@H](N)CO)=C(O)O 100388046 SUMUCFYAYPAHLN-IUYQGCFVSA-N 206.198 -1.912 0 1 BAAF endogenous,in-vitro Cn1c(=O)[nH]c2c(ncn2COCCO)c1=N 100998323 RTGWEIFHIVLXQP-UHFFFAOYSA-N 239.235 -1.491 0 1 BAAF CCc1n[nH]c(=O)n1N1C(=O)CCC1=O 1649678 BLXFZKLEGGRADN-UHFFFAOYSA-N 210.193 -1.081 0 1 BAAF OC[C@H](O)[C@H](O)[C@H](O)[C@H](O)c1nnn[nH]1 5641501 VPUGXNYOCIAXLS-FCAWWPLPSA-N 220.185 -3.692 0 1 BAAF CCC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 28456375 WUPMYSMCQJMDRE-WUNNTHRKSA-N 205.254 -1.798 0 1 BAAF O=C(NC1CC1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 40641593 ZFCPMBQNQOPXLN-JTPBWFLFSA-N 247.247 -2.893 0 1 BAAF NC1=N[C@@H]2OC[C@H]3O[C@H]([C@@H](O)[C@@H]3O)N2C=C1F 49069074 MBYVHHVDEBBPKP-ITALHOGKSA-N 245.210 -1.769 0 1 BAAF Nc1cn([C@@H]2C[C@@H](CO)C[C@H]2O)c(O)nc1=O 253633553 IHMQPKOBJLKNQT-LPBLVHEISA-N 241.247 -1.165 0 1 BAAF O=c1ccn([C@H]2C[C@H](CO)C[C@H]2O)c(=O)[nH]1 17062250 DPWHBIMKUXLNPO-BIIVOSGPSA-N 226.232 -1.159 0 1 BAAF C[C@H](O[C@@H]1[C@H](O)[C@H](C)O[C@@H](O)[C@@H]1O)C(=O)O 2356594118 JOMFHFOOPCCBLZ-RCQRTCKUSA-N 236.220 -1.696 0 1 BAAF O=C1O[C@@H]([C@H](O)CO)[C@@H]([C@@H](O)CO)OC1=O 18143580 NPXVGARLFHBJTQ-GUCUJZIJSA-N 236.176 -3.470 0 1 BAAF CNC1=N[C@H]2[C@H](C[C@H]([C@H](C)O)[C@@H](O)[C@@H]2O)O1 145269802 NFADQBQPWLAXEQ-XEFZRCJWSA-N 230.264 -1.548 0 1 BAAF CC(=O)N[C@H](CCC(=O)CN[N])C(=O)O 2356841869 MIVFHNPWTCXVMC-SSDOTTSWSA-N 215.209 -1.502 0 1 BAAF O=C1N[C@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H]2O1 1036772 CPBONPURCYQKHB-BSQWINAVSA-N 205.166 -2.466 0 1 BAAF Cc1cn([C@@H]2C[C@H](CO)N(O)C2)c(=O)[nH]c1=O 3795881 PQBZHMAGTHLGRT-HTQZYQBOSA-N 241.247 -1.158 0 1 BAAF O=P(O)(O)O[C@H]1CO[C@@H](O)[C@@H](O)[C@@H]1O 26382034 MVBSAFHMRREWNO-SKNVOMKLSA-N 230.109 -2.465 0 1 BAAF C[C@@H]1O[C@@H](CC(=O)O)[C@@H](O)[C@H](O)[C@@H]1O 166514822 YTZUDUWVQZSKNN-OASCRQMUSA-N 206.194 -1.669 0 1 BAAF in-vitro OC[C@H](O)[C@@H](O)c1nc2c(O)ncnc2[nH]1 586888105 HMFOFMFALCNJCO-WVZVXSGGSA-N 226.192 -1.555 0 1 BAAF O=P(O)(O)OC[C@H]1C[C@@H](O)[C@H](O)O1 33801660 OOLHLHJSMUTTHE-UOWFLXDJSA-N 214.110 -1.436 0 1 BAAF C[C@@H](O)C(NC(=O)[C@H](N)CC(=O)O)=C(O)O 69486567 CGIQVZUEHDCBDB-QWWZWVQMSA-N 234.208 -1.430 0 1 BAAF endogenous,in-vitro Nc1nccc2nc([C@@H](O)[C@@H](O)C(=O)O)[nH]c12 586887666 IUZLSMIVYXGPGW-NTSWFWBYSA-N 238.203 -0.981 0 1 BAAF Cn1nc[n+]([O-])c2c(=O)n(C)c(=O)nc1-2 6523633 HSVAYNVLGDFCIA-UHFFFAOYSA-N 209.165 -2.388 0 1 BAAF N[C@H]1CO[C@@H](OP(=O)(O)O)[C@@H](O)[C@H]1O 13347928 MOHUMCNVKJYHHR-FCAWWPLPSA-N 229.125 -2.499 0 1 BAAF Cc1nn(C[C@@H]2CO[C@@H](CO)O2)c(=O)[nH]c1=O 26263545 YTLHYIOPLMFVGG-RNFRBKRXSA-N 243.219 -2.026 0 1 BAAF COC[C@H](C)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 40918917 QBPDKMUQQOSJHZ-VAPHQMJDSA-N 235.280 -1.908 0 1 BAAF Cc1cn([C@H]2C[C@H](O)[C@@]3(O)C[C@H]23)c(=O)[nH]c1=O 101293805 DCLURRBVGRVCIM-OFHVYEONSA-N 238.243 -1.098 0 1 BAAF CO[C@H]1C[C@@H](n2ccc(=O)[nH]c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in-vitro O=C(O)C/C=C1/NNC(=S)NC1=O 957884010 WCYRCGJJRUYLPX-HNQUOIGGSA-N 201.207 -1.146 0 1 BAAF COC(=O)CN1C[C@@H](CO)O[C@H](OC)C1 72177565 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0 1 BAAF Nc1nc(N)c(NC(=O)CCCO)c(=O)[nH]1 1648706 WLFAMRISRNIXSA-UHFFFAOYSA-N 227.224 -1.355 0 1 BAAF N[C@@H]1O[C@@H](COP(=O)(O)O)[C@H](O)[C@@H]1O 3869324 SKCBPEVYGOQGJN-NEEWWZBLSA-N 229.125 -2.499 0 1 BAAF in-vitro CN1C(=O)c2cccn2[C@]2(CC(=O)NC2=O)C1=O 13781434 HRIFDUQBARDWCY-NSHDSACASA-N 247.210 -1.158 0 1 BAAF CC(C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14679836 UOEFDXYUEPHESS-GOFVFXDOSA-N 222.237 -1.789 0 1 BAAF endogenous,in-man Nc1nc2c(c(=O)[nH]1)[C@H](CNCC(=O)O)C=N2 28111476 OKZXPMBTOIEPMZ-SCSAIBSYSA-N 237.219 -1.174 0 1 BAAF c1nnc2nnc(N3CCOCC3)nn12 653821655 IDYPXQGKOGDGSD-UHFFFAOYSA-N 207.197 -1.249 0 1 BAAF N[C@@H](CC(=O)O)[C@H](O)[C@H](O)[C@@H](N)CC(=O)O 14964378 SJDZSCFHDFZAHQ-GXZSMAFLSA-N 236.224 -2.688 0 1 BAAF O=c1ccn(C[C@H]2O[C@@H](O)[C@H](O)[C@@H]2O)c(=O)[nH]1 238769061 WGDUUQDYDIIBKT-XVFCMESISA-N 244.203 -3.024 0 1 BAAF CNCCCNCCCNCCC(O)O 33769333 PTLIEDFKZYQZEI-UHFFFAOYSA-N 219.329 -1.134 0 1 BAAF in-vitro COC[C@H]1O[C@@H](O)[C@H](O)[C@@H](OC)[C@@H]1O 64633780 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204.226 -1.325 0 1 BAAF in-vitro C/C=C/[C@H](O)[C@H](O)/C=C\C(=O)OC[C@H](O)CO 83924168 ZNTNUBKHLXBEIN-WASRMQOHSA-N 246.259 -1.263 0 1 BAAF in-vitro O=C1C[C@@H]2NC(=O)[C@H](CCCCN1)NC2=O 1872129 BFKVJADDVUKUIU-BQBZGAKWSA-N 225.248 -1.340 0 1 BAAF in-vitro Cc1c(C(N)=O)ncn1[C@H]1C[C@H](O)[C@@H](CO)O1 27881026 WUJZKGAMNLOWGI-XLPZGREQSA-N 241.247 -1.069 0 1 BAAF O=C1O[C@H]([C@@H](O)[C@@H](O)[C@@H](O)CO)[C@@H](O)[C@@H]1O 169294044 NUYDBDGECBIUPJ-UNBHBIEYSA-N 238.192 -4.291 0 1 BAAF C[C@H]1N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1 199600282 XWPUWEBFKDEDIF-JMHNFOGYSA-N 221.278 -1.524 0 1 BAAF in-vitro O=C1O[C@H]2C=C(CO)[C@@H](CO)[C@H]2[C@H]1CO 238769931 MOUZVDVFZGJOOS-HXFLIBJXSA-N 214.217 -1.323 0 1 BAAF O=C(O)[C@@H](P(=O)(O)O)S(=O)(=O)O 59064640 VBVRZFXJOVCTGU-REOHCLBHSA-N 220.095 -1.537 0 1 BAAF in-vitro O=C1O[C@H](O)C=C1[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356704346 QGZHMGMJCBWMLD-ZXVYDBTHSA-N 232.188 -2.731 0 1 BAAF OC[C@H]1OCO[C@@H]2[C@H]1OCO[C@@H]2CO 14416838 DLIMVTKZIGEWCB-NGJRWZKOSA-N 206.194 -1.546 0 1 BAAF OCCN1[C@H](CO)[C@@H](O)[C@H](O)[C@H]1CO 38252007 FKBYEFOAINARAQ-WCTZXXKLSA-N 207.226 -3.262 0 1 BAAF O=C1C[C@](O)(C(=O)O)[C@@H](F)[C@H](O)[C@@H]1O 169343729 GSNHXQXKAOHJBD-YCHQMNKZSA-N 208.141 -2.165 0 1 BAAF Cn1cc([C@H]2C[C@@H](O)[C@H](CO)O2)c(=O)[nH]c1=O 6505142 AMDJRICBYOAHBZ-PRJMDXOYSA-N 242.231 -1.743 0 1 BAAF in-vivo C[C@@H](O)[C@@H](O)[C@H]1CNC2=NC(N)=NC(=O)C2=N1 895152 ZHQJVZLJDXWFFX-ZMIZWQJLSA-N 239.235 -2.606 0 1 BAAF in-vitro O=c1ccn([C@@H]2C[C@H](O)[C@H](CO)C2)c(=O)[nH]1 1626554 JIFXFEDXEKJYAE-FXQIFTODSA-N 226.232 -1.159 0 1 BAAF CN(CCO)c1nc2c(c(=O)[nH]1)CNCC2 5502614 OHAUYDWFERNNCH-UHFFFAOYSA-N 224.264 -1.156 0 1 BAAF N[C@@H]1CO[C@@H](CNC(=O)N2CCOCC2)[C@@H]1O 2356653343 CGADBKNPQUQOIP-HRDYMLBCSA-N 245.279 -1.885 0 1 BAAF CC(=O)N[C@@H]1[C@@H](O)S[C@@H](CO)[C@@H](O)[C@@H]1O 98207898 DYCCLPFFILCZGU-TXXZRHAASA-N 237.277 -2.361 0 1 BAAF in-vitro Cc1cn([C@H]2C[C@@H](N)[C@H](CO)O2)c(=O)[nH]c1=O 4958268 ADVCGXWUUOVPPB-GJMOJQLCSA-N 241.247 -1.548 0 1 BAAF in-man O=P(O)(O)OC[C@H]1O[C@@H](O)[C@@H](O)[C@@H]1F 27845015 JHQPJHSZTFXAMO-SQOUGZDYSA-N 232.100 -1.488 0 1 BAAF O=C1NC=CC=CN1[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O 53684219 MEPCJRCEYSZBDO-RBXMUDONSA-N 242.231 -1.522 0 1 BAAF in-vivo N[C@H](CCC(=O)NC(=O)[C@@H]1CCCN1)C(=O)O 95617785 FSGFZJVYAZKWHO-RQJHMYQMSA-N 243.263 -1.427 0 1 BAAF endogenous,in-man C[C@H](O)[C@H]1C[C@@H]2OC(N(C)C)=N[C@@H]2[C@@H](O)[C@@H]1O 145309578 FZOKGSDDKBIICT-KIOSUUARSA-N 244.291 -1.206 0 1 BAAF C=[N+]1c2c(O)nc(N)nc2NC[C@H]1CN 535386092 SBBRCICYNAOFFG-SCSAIBSYSA-O 209.233 -1.138 0 1 BAAF in-vitro O=c1ccn([C@H]2C[C@@H](CO)C[C@@H]2O)c(=O)[nH]1 3653557 DPWHBIMKUXLNPO-CSMHCCOUSA-N 226.232 -1.159 0 1 BAAF CC(=O)O[C@H]1C(=O)C(CO)=C[C@H](O)[C@@H]1O 14811309 GQUQTPWKSHGELZ-XVYDVKMFSA-N 216.189 -1.859 0 1 BAAF Nc1ncnc2c1ncn2[C@@H]1CN[C@@H](CO)O1 26668543 MBVIOAMRQRQQCJ-RITPCOANSA-N 236.235 -1.155 0 1 BAAF C[C@H](N)C(=O)O[C@@H](CO)COP(=O)(O)O 64622126 JPCGABBYVSDYMQ-WHFBIAKZSA-N 243.152 -1.653 0 1 BAAF in-vitro O=c1nc(O)cnn1[C@@H]1O[C@H](O)[C@@H](O)C[C@@H]1O 504433699 FOQXRBMDKGMLOC-JWSCLZLWSA-N 245.191 -2.697 0 1 BAAF biogenic Nc1ncn([C@@H]2C=C(CO)[C@@H](O)[C@H]2O)c(=O)n1 1624468 MPNOBTCOXZTZMJ-QYNIQEEDSA-N 240.219 -2.584 0 1 BAAF NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O 1720483 ABYZQSMQSHNEMQ-BBVRLYRLSA-N 227.220 -1.856 0 1 BAAF NC(=O)c1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 38351572 PUCDGVFPJGITTQ-DQUBFYRCSA-N 242.231 -1.802 0 1 BAAF CCCCN1C[C@@H](O)[C@@H](O)[C@H](O)C1=O 45506193 ARXCYPVZALWGFA-PRJMDXOYSA-N 203.238 -1.289 0 1 BAAF CC(C)[C@H](N)C(=O)NC(=O)CC[C@@H](N)C(=O)O 95617814 RNVIUPLZMWAIQD-SVRRBLITSA-N 245.279 -1.195 0 1 BAAF endogenous,in-man NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O 94437860 DJYTWLADTBMTBF-PXBUCIJWSA-N 243.219 -2.886 0 1 BAAF in-vitro,metabolite Cc1cc(N)nc(=O)n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biogenic CC1(C)O[C@H]2[C@H](O)C[C@@](O)(C(N)=O)C[C@H]2O1 9186847 OFKNGVGNKBZNOR-JQCUSGDOSA-N 231.248 -1.122 0 1 BAAF biogenic C[C@]1(CO)[C@H](C(=O)O)N2C(=O)C[C@H]2S1(=O)=O 169320161 RABYNCJYHSXOAS-CHKWXVPMSA-N 249.244 -1.823 0 1 BAAF CCOC(=O)[C@@H]1CC(=O)[C@@H](O)[C@@](C)(O)O1 2356711286 RDJFMOKLERHSRJ-OOZYFLPDSA-N 218.205 -1.023 0 1 BAAF N[C@@H](CO)C(=O)NC(CCC(=O)O)=C(O)O 69487885 JRKUXSVABFECJU-BYPYZUCNSA-N 234.208 -1.428 0 1 BAAF endogenous,in-vitro O[C@@H]1[C@@H](O)[C@@H](O)N2C(=S)NC[C@@H]2[C@H]1O 29042183 YBTBJPNLTSLWBT-VFUOTHLCSA-N 220.250 -3.040 0 1 BAAF NC(=O)CC[C@@H](N)C(=O)NC=C(O)O 100386428 PBSPKVKNRZHSSG-SCSAIBSYSA-N 203.198 -1.390 0 1 BAAF endogenous,in-vitro CC(C)C(=O)O[C@@H]1[C@H](O)C(CO)=C[C@H](O)[C@H]1O 2356668562 UIDCYBLYOWCMBS-SGIHWFKDSA-N 246.259 -1.431 0 1 BAAF O=C1[C@H](O)[C@H](O)[C@H](O)CN1CCCCCCO 40949641 CYBLNFUNMQDVCN-OPRDCNLKSA-N 247.291 -1.536 0 1 BAAF C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C(=O)O 69480602 GGWZPCSVNVCONW-BYIBVSMXSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro C[C@@H](O)C(NC(=O)[C@H](N)CC(N)=O)=C(O)O 100386105 DYKOLPAMBLDKOY-QWWZWVQMSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro NC(=O)c1coc([C@@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)n1 5809059 YSRISZVOJDAOFB-BNHYGAARSA-N 244.203 -2.073 0 1 BAAF CO[C@H]1O[C@H]([C@H](C)O)[C@@H](O)[C@H](O)[C@@H]1O 58633204 PNWOVLBMFHSUMR-IHKZFYOVSA-N 208.210 -2.179 0 1 BAAF in-vitro N[C@@H](Cn1nncc1C(=O)O)C(=O)O 64573078 JOWXVYJJJTZWEF-VKHMYHEASA-N 200.154 -1.612 0 1 BAAF COc1cnn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)c1 27898728 WXPHBAHFWSKYIE-QXFUBDJGSA-N 242.231 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in-man CN1CC2(C1)C(=O)N(C)C(=O)[C@H]1C[C@@H](O)CN12 2356733210 FAGUXHMCEQIADZ-HTQZYQBOSA-N 239.275 -1.896 0 1 BAAF Nc1ncn(C[C@@H]2CO[C@@H](CO)O2)c(=O)n1 26263551 URBMAUGTAHHBGW-PHDIDXHHSA-N 228.208 -2.046 0 1 BAAF O=P(O)(O)C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 31870709 DFYLWBCXEJFDNK-SLPGGIOYSA-N 228.137 -2.354 0 1 BAAF Nc1ccn([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)c(=O)c1 53683517 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-2.188 0 1 BAAF CCCC[C@@H]1N[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14917025 ZSNFEMNRWFDMNU-CHHOWFRJSA-N 219.281 -1.408 0 1 BAAF O=c1ccn(C[C@]2(CO)C[C@@H]2CO)c(=O)[nH]1 26716757 GNBGMWWIIRFXFM-XCBNKYQSSA-N 226.232 -1.473 0 1 BAAF O=P(O)(O)OC[C@H]1O[C@@H](O)[C@@H](F)[C@@H]1O 27766753 NOTDWSJIOCLYHZ-KKQCNMDGSA-N 232.100 -1.488 0 1 BAAF CC[C@@H](C)O[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356392903 SPMHDJVTXLHOTJ-RERUZZKTSA-N 236.264 -1.399 0 1 BAAF CO[C@H]1[C@H](O)[C@@H](C(=O)O)O[C@@H](O)[C@@H]1OC 6483311 YEGNNGDFCAGXPA-GRJZWZNASA-N 222.193 -1.821 0 1 BAAF in-vitro O=P(O)(O)C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 31870707 DFYLWBCXEJFDNK-UNTFVMJOSA-N 228.137 -2.354 0 1 BAAF Cc1cn(N2C[C@@H](F)[C@H](CO)C2)c(=O)[nH]c1=O 40709482 YSGKKVVPWXTYNO-JGVFFNPUSA-N 243.238 -1.257 0 1 BAAF COC[C@H]1O[C@H](O)[C@H](OC)[C@@H](O)[C@@H]1OC 142929677 UTLUVTKMAWSZKV-WUNNTHRKSA-N 222.237 -1.259 0 1 BAAF COCCNC(=O)C[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O 2356835164 KPCZGSKETVLKIW-MBLNEYKQSA-N 248.279 -2.413 0 1 BAAF NC(=O)CC(NC(=O)[C@H](N)CO)=C(O)O 100387950 BYPOVZMIQMQJSO-GSVOUGTGSA-N 219.197 -2.417 0 1 BAAF endogenous,in-vitro N[C@H](C(=O)O)[C@H]1[C@H](CC(=O)O)[C@@H]1C(=O)O 27523851 PQFJICGWSAKMIG-RARCZQNLSA-N 217.177 -1.180 0 1 BAAF C[C@@H](O)[C@@H](N)C(=O)N[C@H](CCCCN)C(=O)O 69486059 YKRQRPFODDJQTC-BWZBUEFSSA-N 247.295 -1.607 0 1 BAAF endogenous,in-vitro O=P(O)(O)OC[C@H]1O[C@H](O)[C@H](F)[C@@H]1O 98208501 NOTDWSJIOCLYHZ-AIHAYLRMSA-N 232.100 -1.488 0 1 BAAF in-vitro Nc1ccn(C[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1 169509945 WQANTPIBUPIOEB-GJMOJQLCSA-N 241.247 -1.664 0 1 BAAF OC[C@H](O)[C@@H]1OCO[C@@H]([C@H](O)CO)C1O 8579598 ZQQVXOCXYXTYRF-NOGMAMMZSA-N 224.209 -3.205 0 1 BAAF CC(=O)Nc1sc(S(N)(=O)=O)n[n+]1C 3871094 FLOSMHQXBMRNHR-UHFFFAOYSA-O 237.286 -1.427 0 1 BAAF in-vitro O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1 13516545 LSOMVVZDALJIPA-ZYUZMQFOSA-N 227.216 -1.540 0 1 BAAF COC[C@@H]1O[C@@H](O)[C@@H](OC)[C@@H](O)[C@@H]1OC 196227963 UTLUVTKMAWSZKV-VRGHQRLXSA-N 222.237 -1.259 0 1 BAAF NC(=O)c1ncn2c1NC[C@H]1O[C@H]2[C@H](O)[C@@H]1O 254077941 OOELRVWZYQGNHL-BDXYJKHTSA-N 240.219 -1.973 0 1 BAAF NC(=O)CCNC(=O)C1=C[C@H](N)[C@H](O)[C@H](O)C1 2356833725 KJFMMEXGJALQBH-OOZYFLPDSA-N 243.263 -2.643 0 1 BAAF O=C1NC(=O)[C@]2(N1)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O 6753375 QRXBDPYWCAAAAI-WGRAPJIFSA-N 248.191 -4.004 0 1 BAAF C[C@@H](O)[C@H](N)C(=O)NC(CCC(N)=O)=C(O)O 100388170 YLQQAGJFLBZZGU-FBCQKBJTSA-N 247.251 -1.639 0 1 BAAF endogenous,in-vitro C[n+]1cn(CC(=O)O)c2nc(N)nc(O)c21 103292852 IYYHWSAPXAUQNM-UHFFFAOYSA-O 224.200 -1.372 0 1 BAAF Cc1cn(C2C[C@H](O)[C@@H](O)C2)c(=O)[nH]c1=O 27201440 ZGJJSROUHGAAEY-YUMQZZPRSA-N 226.232 -1.098 0 1 BAAF CC1(C)C(=O)[C@@H](O)[C@H](O)C[C@]1(O)C(=O)O 230505609 FWOMLGVRVSLROK-YZNMAWMESA-N 218.205 -1.477 0 1 BAAF in-vitro Nc1nc2c(ncn2OC[C@H](O)CO)c(=O)[nH]1 3590165 ARGAGMONNGMNFI-SCSAIBSYSA-N 241.207 -2.516 0 1 BAAF CO[C@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](OC)[C@@H]1O 238778857 MMCIFJWGSIWJLP-IIKNFUEMSA-N 208.210 -2.526 0 1 BAAF N[C@H](CC(=O)O)[C@H](O)[C@@H](O)[C@H](N)CC(=O)O 253634397 SJDZSCFHDFZAHQ-FLMVNYLGSA-N 236.224 -2.688 0 1 BAAF COC(=O)[C@H](OC)[C@@H]1OC[C@H](O)[C@H]1O 2356507765 GVLALIAFAWFGPO-BDVNFPICSA-N 206.194 -1.705 0 1 BAAF CC(=O)NCNC(=O)C[C@H](N)CCCN 5855699 KHQKSLLDPKXNGB-MRVPVSSYSA-N 216.285 -1.348 0 1 BAAF biogenic C=C/C(=C/NC(=O)[C@@H](O)C[C@H](N)C(=O)O)CO 14657640 VYDAYIZJJUOQMT-RGGFDPLPSA-N 244.247 -1.672 0 1 BAAF biogenic,in-vitro O=C1O[C@H]([C@@H](O)CO)C2=C1OCCO2 40576650 MDPYAWLCLQELDG-CRCLSJGQSA-N 202.162 -1.477 0 1 BAAF Nc1ncnc2[nH]c([C@H](O)[C@@H](O)C(=O)O)nc12 586884797 ATTLNAWPJOSYBE-QWWZWVQMSA-N 239.191 -1.586 0 1 BAAF CC(=O)N1CCN(c2nnc3nncn3n2)CC1 653823229 JXSNIVADSSBRSC-UHFFFAOYSA-N 248.250 -1.417 0 1 BAAF N=C1N(CC(=O)O)CCN1P(=O)(O)O 1541798 CUPWIVAPVWUAHI-UHFFFAOYSA-N 223.125 -1.284 0 1 BAAF biogenic O=P(O)(O)CC1=C[C@@H](O)[C@@H](O)[C@@H](CO)O1 40662645 QQNVEJIGXMEGCD-FSDSQADBSA-N 240.148 -1.839 0 1 BAAF O=S(=O)(O)O[C-]1NC[n+]2cc(O)ccc21 53651081 AFYGVBHKOHELTP-UHFFFAOYSA-N 232.217 -1.103 0 1 BAAF O=C1O[C@@H]([C@H](O)[C@H](O)[C@H](O)CO)[C@@H](O)[C@@H]1O 3953802 NUYDBDGECBIUPJ-MAFUWASYSA-N 238.192 -4.291 0 1 BAAF C[C@H]1O[C@H](c2n[nH]c(C(N)=O)c2O)[C@H](O)[C@@H]1O 49110080 ZDFJFGFVFKMTSC-JOSLRIJYSA-N 243.219 -1.604 0 1 BAAF C[C@@H](O)C(=O)C1=N[C@H]2C(=O)NC(=O)N=C2NC1 100203082 PBOYABLKUPLHMP-NQXXGFSBSA-N 238.203 -2.003 0 1 BAAF in-vitro OCC(CO)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 238758589 QPMTZAPCDCFOEZ-CWKFCGSDSA-N 224.209 -3.205 0 1 BAAF O=c1ccoc(C2=C[C@H](O)[C@@H](O)[C@@H](O)[C@H]2O)c1 238788529 XGESXBUIFZUBTP-BBHBSTQDSA-N 240.211 -1.520 0 1 BAAF O=C([C@H](O)CO)[C@H](O)[C@@H](O)[C@H](O)CO 2356742305 INYHXAFWZQXELF-YCHQMNKZSA-N 210.182 -4.016 0 1 BAAF CNC(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26830258 GLOZHHWMZYAHBQ-BNWJMWRWSA-N 221.209 -3.425 0 1 BAAF CC(=O)N[C@@H]1[C@@H](O)C[C@](O)(C(=O)O)O[C@H]1CO 87527821 VOYHUNWCVBZVQT-XZMZPDFPSA-N 249.219 -2.594 0 1 BAAF in-vitro CN1C(=O)CS[C@@H]1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 95554523 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XMKGSMFESCANHT-YFKPBYRVSA-N 212.213 -1.942 0 1 BAAF NCCCC[C@H](NC(=O)[C@H](N)CN)C(=O)O 36520035 KIRAJPCFBZQPRU-RQJHMYQMSA-N 232.284 -2.029 0 1 BAAF OC[C@H]1C[C@H](c2nn[nH]n2)[C@H](O)[C@@H]1O 5600645 SUMFTKMKVUFIPH-MOJAZDJTSA-N 200.198 -1.983 0 1 BAAF O[C@@H]1[C@H](O)[C@@]2(O)CO[C@H]3OCC[C@@H]1[C@H]32 35032727 QMQZZRSFTSGWJA-NTXXKDEISA-N 202.206 -1.538 0 1 BAAF Nc1cc(N2C[C@H](O)C[C@H]2C(=O)O)nc(N)n1 82060685 JHWKAJHVMMHQGC-UHNVWZDZSA-N 239.235 -1.335 0 1 BAAF CCCn1nnc2c(C(N)=O)ncn2c1=O 26163561 BCNUOTBWLFFYNN-UHFFFAOYSA-N 222.208 -1.205 0 1 BAAF O=C(O)[C@@H](O)C[C@H](O)COP(=O)(O)O 27847459 PXTXECRFKKMUGX-IMJSIDKUSA-N 230.109 -1.708 0 1 BAAF Nc1cncn1[C@@H]1O[C@@H](CO)[C@H](O)[C@H]1O 100034407 NKYAAYKKNSYIIW-ZAKLUEHWSA-N 215.209 -1.923 0 1 BAAF in-vivo CC(C)C(=O)O[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O 2356380049 PLONVEDAIPSMHF-KATARQTJSA-N 246.259 -1.431 0 1 BAAF NC(=O)[C@]1(O)O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 26731852 DTZYCNDAJQDPQC-RLZVPWTLSA-N 223.181 -4.366 0 1 BAAF COC(=O)[C@@H]1CO[C@H](O)[C@@H]2[C@@H]1[C@H](O)C[C@]2(C)O 2356520456 NLKBOVSOZQNIHR-BPWVOJKISA-N 246.259 -1.128 0 1 BAAF O=c1ccn([C@@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 1572843 XCUVKEVNSATDTD-SQEXRHODSA-N 242.231 -2.188 0 1 BAAF NCCOC(=O)C[C@](O)(CC(=O)O)C(=O)O 95635815 NUXSZBCGZWMACN-MRVPVSSYSA-N 235.192 -1.831 0 1 BAAF in-vitro N=C1NC(=O)N[C@H]([C@@H]2C=C3NC(=O)N32)[C@@H]1N 535384647 FYPZIBYFXYXILV-MDZRLIFHSA-N 222.208 -1.779 0 1 BAAF biogenic,in-vitro N[C@@H](CN1CCOCC1)P(=O)(O)O 653857025 MYBQWHIHPBOCKG-ZCFIWIBFSA-N 210.170 -1.219 0 1 BAAF Nc1ccn([C@H]2C[C@H](O)[C@@]3(O)C[C@@H]23)c(=O)n1 27203178 XACQYCDFOZGFDU-ZFVDQJKFSA-N 223.232 -1.118 0 1 BAAF O=C(O)[C@@H](C[P@@H](=O)O)[C@@H](O)C(=O)O 62240957 RZQCPFXISXNJHP-STHAYSLISA-N 212.094 -1.400 0 1 BAAF in-vitro NC(=O)c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1 1751101 OCPXZZGFLZCBGH-JXOAFFINSA-N 243.219 -2.407 0 1 BAAF O=c1[nH]cnc2ncn(C[C@@H](O)CO)c12 27186451 GRQNFBQMZFIDDR-RXMQYKEDSA-N 210.193 -1.527 0 1 BAAF O=Cc1cccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 28823962 CVOJMINJLYAYAI-ZYUZMQFOSA-N 227.216 -1.088 0 1 BAAF OC[C@H]1O[C@H](n2cnnc2S)[C@H](O)[C@@H]1O 49089238 ZCYBZRLOSDDDOT-KAZBKCHUSA-N 233.249 -1.822 0 1 BAAF CO[C@H]1O[C@H](CO)[C@@H](N(C)C(C)=O)[C@@H]1O 1703628 IYHNPXMPHOUJTN-HXFLIBJXSA-N 219.237 -1.442 0 1 BAAF C[C@@H]1O[C@@H](SCN)[C@@H](O)[C@@H](O)[C@H]1O 36351327 ICTFAEXWYAJZLB-RRNSMKEASA-N 209.267 -1.537 0 1 BAAF COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 58555665 DDVBSNPLHUUBOJ-VOQCIKJUSA-N 222.193 -2.998 0 1 BAAF O=C(O)CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 114889023 XUVFSBVKBGCCSC-IXROVEORSA-N 221.209 -3.170 0 1 BAAF O[C@@H]1CO[C@]2(CO[C@@]3(CO2)C[C@H](O)CO3)C1 238760622 MFWNKUIDGSGXMP-AXTSPUMRSA-N 232.232 -1.012 0 1 BAAF OC[C@@]1(O)[C@H]2[C@H](O)OCC[C@H]2[C@@H](O)[C@H]1O 2356488272 GVPJIARKBVSQGO-OJEIPOMOSA-N 220.221 -2.584 0 1 BAAF O=C1O[C@H](CS(=O)(=O)O)[C@H](O)[C@H](O)[C@H]1O 2356765926 YOMAOVCVRGQULE-MGCNEYSASA-N 242.205 -3.118 0 1 BAAF O=C(O)[C@H]1CN2[C@@H](N1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO 19333357 CLJMUGBMMVBGHE-CVBHLRHXSA-N 248.235 -3.872 0 1 BAAF C[C@H]1O[C@H](SCN)[C@@H](O)[C@@H](O)[C@@H]1O 26985969 ICTFAEXWYAJZLB-ULQPCXBYSA-N 209.267 -1.537 0 1 BAAF O=c1[nH]c(=O)n(COC(CO)CO)cc1F 27190656 KPMLGIYWYCZVPK-UHFFFAOYSA-N 234.183 -1.997 0 1 BAAF CC(=O)NC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 28127297 QTXJBHLJGBVVJA-WUNNTHRKSA-N 235.236 -3.035 0 1 BAAF O=c1cc[nH]c(=O)n1CCN1CCC[C@H]1CO 64453359 ZTYNAVOYGKTLKL-VIFPVBQESA-N 239.275 -1.007 0 1 BAAF N[C@@H]1CO[C@@H](CNC(=O)c2ccncc2)[C@H]1O 2356744870 NFPIBCZYIPPIIS-UTLUCORTSA-N 237.259 -1.102 0 1 BAAF O=C(O)CO[C@@H]1CC(C(=O)O)=C[C@@H](O)[C@H]1O 29225513 SQPAJBPABGOYLU-ATRFCDNQSA-N 232.188 -1.407 0 1 BAAF CO[C@H]1[C@@H](O)[C@H](CO)O[C@H](O)[C@@H]1OC 34250038 SQYIWHJCOMWKNU-ZXVYDBTHSA-N 208.210 -1.913 0 1 BAAF C[C@@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 38435115 PIBHCJDPQRCONN-MVEQLIQHSA-N 203.238 -2.094 0 1 BAAF in-vivo COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 253635260 DDVBSNPLHUUBOJ-PFCGLBSHSA-N 222.193 -2.998 0 1 BAAF CCC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 36338469 WUPMYSMCQJMDRE-XRBOHMRVSA-N 205.254 -1.798 0 1 BAAF O=c1nc(O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)o1 48999817 XIRKXQIOPDWGMW-TXICZTDVSA-N 234.164 -2.847 0 1 BAAF C[C@@H](O)[C@H](N)C(=O)NCCCC[C@H](N)C(=O)O 50027964 KBBSTKRMTXZXBS-CSMHCCOUSA-N 247.295 -1.607 0 1 BAAF endogenous,in-vitro N[C@@H](CCCCNC(=O)[C@H](N)CO)C(=O)O 50027996 XMXRWVAGRXQGGI-NKWVEPMBSA-N 233.268 -1.996 0 1 BAAF endogenous,in-vitro C[C@H](O)[C@H](O)C=C1C(=O)O[C@H](C)[C@@H]1O 2356838744 MCRAZTCIOWXLIZ-LAHCRNKXSA-N 202.206 -1.039 0 1 BAAF OC[C@H]1[C@H](O)[C@@H](O)[C@H](O)c2nnnn21 53683623 UCJXQRFJERKPOZ-KLVWXMOXSA-N 202.170 -3.025 0 1 BAAF in-vivo NC1(C(=O)O)C[C@H](C(=O)O)[C@H](C(=O)O)C1 3995850 FERIKTBTNCSGJS-OBLUMXEWSA-N 217.177 -1.036 0 1 BAAF in-vitro NC(=O)c1cn([C@@H]2C=C(CO)[C@@H](O)[C@H]2O)nn1 28568037 MHXCOGJMZNSJBR-PRJMDXOYSA-N 240.219 -2.428 0 1 BAAF N=C(N)c1ncn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n1 34546935 NHKZSTHOYNWEEZ-KALNXVOASA-N 243.223 -2.826 0 1 BAAF O=P(O)(O)OC[C@@H](O)[C@H](O)[C@@H](O)CCO 38665759 KLPBNGZTTQNYHR-KVQBGUIXSA-N 246.152 -2.439 0 1 BAAF in-vivo CC(=O)[C@@H](O)[C@@H](O)C(=O)COP(=O)(O)O 104880408 XBUYIELOLLPBOC-RITPCOANSA-N 242.120 -2.024 0 1 BAAF endogenous,in-vitro C[C@@H]1N[C@H]2C(=O)[C@@H](O)[C@@H](CO)O[C@@H]2S1 169687696 ATXDIZZWOZBGCB-KYGLGHNPSA-N 219.262 -1.315 0 1 BAAF OC[C@@H](O)[C@@H]1O[C@@H]2NC(=S)O[C@H]2[C@H]1O 261153460 PKBVCSNCOXHULL-URLGYRAOSA-N 221.234 -2.301 0 3 BAAF O=c1ccn([C@@H]2C[C@H](O)[C@H](CO)[C@@H]2F)c(=O)[nH]1 40374597 IQKMEEPQIAMEIR-XQXXSGGOSA-N 244.222 -1.211 0 1 BAAF O=c1nc(O)n([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)o1 48999819 XIRKXQIOPDWGMW-AIHAYLRMSA-N 234.164 -2.847 0 1 BAAF N[C@@H](Cc1cnc[nH]1)C(=O)NC(CO)=C(O)O 100386853 RTWXXCDQUBWKDK-LURJTMIESA-N 242.235 -1.327 0 1 BAAF endogenous,in-vitro O=C1S[C@H]2[C@H](O)[C@H](O)[C@H](O)CN2C1=O 95561886 SGZCEBTUJNPUIW-HCRRSRSNSA-N 219.218 -2.489 0 1 BAAF OC[C@H](O)[C@H](O)c1nc2c(O)nc(O)nc2[nH]1 586893603 XVINLSREYVZNDX-OKKQSCSOSA-N 242.191 -1.849 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCC[C@@H]2CO)[C@@H]1O 2356693693 NMTUCAAUKBQRDV-SYWHDRQISA-N 244.291 -1.745 0 1 BAAF N[C@H](NC[C@@H](CC(=O)O)C(=O)O)C(=O)O 2356763796 RWDVGNGNPXWOFC-NQXXGFSBSA-N 220.181 -1.879 0 1 BAAF O=C1O[C@H](O)C=C1[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O 2356704345 QGZHMGMJCBWMLD-WXUMCUSRSA-N 232.188 -2.731 0 1 BAAF O=C(O)[C@@H](O)[C@@H](O)[C@H](O)CP(=O)(O)O 72190094 XCBNBIPHASXSKG-UZBSEBFBSA-N 230.109 -2.669 0 1 BAAF in-vivo N=c1ccn([C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c(O)n1 535385396 UGJBVRSUYCCUKX-PXBUCIJWSA-N 243.219 -2.320 0 1 BAAF in-vitro COCC(=O)NCC1(COC)C[C@H](O)[C@@H](O)C1 2356347954 SYKJKBDRSBSKED-IUCAKERBSA-N 247.291 -1.103 0 1 BAAF CC(C)C[C@@H]1NC(=O)[C@@]2(O)C[C@@H](O)CN2C1=O 2356801311 RMFKNYZAOZOWDN-FYBVGQRMSA-N 242.275 -1.187 0 1 BAAF O=c1ccn([C@H]2C=C(CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 17142521 FCWVOJUKQSHZIV-NBEYISGCSA-N 240.215 -2.268 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)C[C@@H]1C(=O)N1CCNCC1 40476946 UQLAZUTVXXHDKL-AXTSPUMRSA-N 242.323 -2.156 0 1 BAAF N[C@@H]1C=CN([C@@H]2C=C(CO)[C@@H](CO)O2)C(=O)N1 64549364 MBGUKZBWOALGJR-VGMNWLOBSA-N 241.247 -1.554 0 1 BAAF COC(OC)[C@H](OC)[C@@H]1OC[C@H](O)[C@@H]1O 2356699121 DRCOHCBNHHWVQJ-RULNZFCNSA-N 222.237 -1.259 0 1 BAAF C[C@H](O)[C@@H]1C=C([C@H](O)[C@H](C)O)C(=O)O1 2356716878 ARUCEWIJCNEASJ-BKMCOVHNSA-N 202.206 -1.039 0 1 BAAF C[C@H]1C[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 28654674 PIBHCJDPQRCONN-ZLFMKPOPSA-N 203.238 -2.094 0 1 BAAF O=c1ccn([C@@H]2C[C@@H](O)[C@@H](CO)C2)c(=O)[nH]1 5409622 JIFXFEDXEKJYAE-GJMOJQLCSA-N 226.232 -1.159 0 1 BAAF O=c1ncccn1[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O 13555456 CPAMGUFEGWDLST-BGZDPUMWSA-N 226.232 -1.482 0 1 BAAF O=c1ccn([C@@H]2C[C@@H](O)[C@@H](CO)[C@H]2F)c(=O)[nH]1 29549593 IQKMEEPQIAMEIR-JXOAFFINSA-N 244.222 -1.211 0 1 BAAF C[C@H]1N[C@@H]2C(=O)[C@@H](O)[C@@H](CO)O[C@@H]2S1 169687695 ATXDIZZWOZBGCB-JDSYOCTRSA-N 219.262 -1.315 0 1 BAAF O=C(Cn1cncn1)C[PH](O)(O)O 169716106 NMTJZKAUGDSZBA-UHFFFAOYSA-N 207.126 -1.681 0 1 BAAF O=C1N[C@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 238777707 NWQUMNKTNQQHPK-QZABAPFNSA-N 222.197 -3.939 0 1 BAAF OCCNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 27651609 VQSVOQJUFSROBP-KVPKETBZSA-N 225.241 -3.996 0 1 BAAF Cc1cn(C[C@@]2(CO)C[C@H]2CO)c(=O)[nH]c1=O 6523401 NTAWFMOXHYXRGL-GZMMTYOYSA-N 240.259 -1.164 0 1 BAAF O=C1O[C@](O)(CO)[C@@H]2O[C@H](O)[C@@H]3C=C[C@H]1[C@@H]32 2356517854 WFOADYFXGWWIRB-VSKWAHJVSA-N 228.200 -1.640 0 1 BAAF O=C1CC([C@H](O)[C@H](O)[C@H](O)CO)CC(=O)N1 5539142 QXECCEVHROGAOH-HFHMMWAZSA-N 233.220 -2.886 0 1 BAAF N[C@@H](Cc1cncn1C[C@@H](N)C(=O)O)C(=O)O 14439778 MYLPOAPVPIJSGR-NKWVEPMBSA-N 242.235 -1.751 0 1 BAAF endogenous,in-man CCOCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 34603894 MNSFMAWUKDBQJX-UTINFBMNSA-N 235.280 -2.218 0 1 BAAF CO[C@@H]1[C@H](O)O[C@H](C(C)=O)[C@H](O)[C@H]1OC 2356524211 VEWIYIKLJWCBSA-JTPBWFLFSA-N 220.221 -1.317 0 1 BAAF O=C1C[C@@H]2[C@H](O)[C@H](O)[C@@](O)(CO)[C@H]2CO1 2356600406 KTPUPORHUXLBHU-XADYHYHXSA-N 218.205 -2.376 0 1 BAAF Nc1ccn([C@H]2C=C(CO)[C@@H](O)[C@@H]2O)c(=O)c1 5884327 YCRKYJVJMABCKH-JMJZKYOTSA-N 238.243 -1.374 0 1 BAAF O[C@@H]1[C@@H](O)[C@@H](O)N2C(=S)OC[C@@H]2[C@H]1O 29042186 SNYJQMJAGFMPAI-VFUOTHLCSA-N 221.234 -2.613 0 1 BAAF Nc1ccn([C@@H]2S[C@@H](O)[C@@H](O)[C@@H]2O)c(=O)n1 28763323 LIZHPWUBMJLRON-VWDOSNQTSA-N 245.260 -1.889 0 1 BAAF C[C@@H]1O[C@H](OCCO)[C@@H](O)[C@H](O)[C@@H]1O 98207943 WEKZOSZDHREWIU-SHGPDSBTSA-N 208.210 -2.177 0 1 BAAF in-vitro O=C1[C@@H](O)[C@H](O)C[C@@](O)(C(=O)O)[C@H]1F 100848288 FACFTCCQYFIKAF-CXJUBSFMSA-N 208.141 -2.165 0 1 BAAF O=C1NCCCCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1572883 XFBDBFJTEFLACS-FNCVBFRFSA-N 246.263 -1.769 0 1 BAAF Cc1nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)no1 35063735 OIORIUQDXWEPJW-JAJWTYFOSA-N 246.219 -2.107 0 1 BAAF C[C@@H](O)C(NC(=O)[C@@H](N)CC(=O)O)=C(O)O 69486570 CGIQVZUEHDCBDB-DMTCNVIQSA-N 234.208 -1.430 0 1 BAAF endogenous,in-vitro OC[C@@H](O)[C@@H](O)c1nc2cnnc(O)c2[nH]1 586889199 JXZBAHQGLGWECD-INEUFUBQSA-N 226.192 -1.555 0 1 BAAF C[C@H](O)[C@@H](Nc1cc(N)nc(N)n1)C(=O)O 82060692 GFYIGMNNDRESLL-BBIVZNJYSA-N 227.224 -1.113 0 1 BAAF Nc1nc(O)c2nc([C@@H](O)[C@@H](O)CO)[nH]c2n1 586890337 NRCFLXFNCREYBZ-OKKQSCSOSA-N 241.207 -1.973 0 1 BAAF CCn1nc(C[C@H](N)C(=O)O)c(=O)[nH]1 1857549110 WDHSKNJWBMQMET-BYPYZUCNSA-N 200.198 -1.454 0 1 BAAF C[C@]1(CO)OC(=O)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]21 27419100 MYYNYTBEAXTWGY-UEGXPFIPSA-N 229.232 -1.027 0 1 BAAF O=c1[nH]c(=O)n([C@H]2C[C@H](F)[C@@H](CO)O2)cc1O 64526743 WFVQBSJAFMHYEB-UBKIQSJTSA-N 246.194 -1.140 0 1 BAAF C[C@H](O)C(NC(=O)[C@H](N)CCC(N)=O)=C(O)O 100386499 UHZSXKAMNOJXJO-CRCLSJGQSA-N 247.251 -1.639 0 1 BAAF endogenous,in-vitro OC[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nccn21 1892001 RZRDQZQPTISYKY-BDVNFPICSA-N 200.194 -1.815 0 1 BAAF Nc1ncnc2[nH]c([C@@H](O)[C@@H](O)CO)nc12 586887039 DBYDSCGRBJRMGZ-UCORVYFPSA-N 225.208 -1.678 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H]1O 2356316205 LUFBHSYJRTVRIJ-RXRWUWDJSA-N 242.168 -2.756 0 1 BAAF O[C@H]1CC[C@@H](O)[C@@H]2[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O 26393429 NSPXOSBRDNCFGX-XXBJAWAOSA-N 234.248 -2.808 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2COCC[S@]2=O)cc1F 27562235 XOWBOYJETLSYII-MUCOVADDSA-N 248.235 -1.047 0 1 BAAF O=P(O)(O)OC[C@@H]1C[C@H](O)[C@@H](O)O1 27767231 OOLHLHJSMUTTHE-YUPRTTJUSA-N 214.110 -1.436 0 1 BAAF O=C(NCCO)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 653773189 JLEHVJRJFHBLIQ-FZGKIIIMSA-N 237.208 -4.104 0 1 BAAF O=C1[C@H]2C[C@H](O)CN2C(=O)[C@@H]2CCCN12 14616424 NUWIAVSANIAUAA-BIIVOSGPSA-N 210.233 -1.047 0 1 BAAF OC[C@H](O)[C@@H]1OCO[C@H]([C@@H](O)CO)C1O 16891505 ZQQVXOCXYXTYRF-UWDSXKOKSA-N 224.209 -3.205 0 1 BAAF CO[C@@H]1[C@H](COP(=O)(O)O)O[C@H](O)[C@@H]1O 40514559 DBOUVRQJDFHHAV-KCDKBNATSA-N 244.136 -1.811 0 1 BAAF O[C@H]1[C@@H](O)[C@H](O)[C@@H]2[C@H]3CC[C@H]4[C@@H](O[C@H]1[C@H]42)[C@@H]3O 100826127 YIAMKYDKMPHMFL-YRCKXCIRSA-N 242.271 -1.517 0 1 BAAF NC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26840745 UKWLGCFJAVEFPE-RDQKPOQOSA-N 207.182 -3.686 0 1 BAAF CC(=O)[C@@H](O)[C@H](O)CCP(=O)(O)O 28455274 ULARORCBGGGRJE-PHDIDXHHSA-N 212.138 -1.135 0 1 BAAF CN1[C@@H]2[C@H](O)C[C@]1(O)[C@H](O)[C@H](O)[C@@H]2O 104369827 XTMAEPUCHRMBTC-ACQOQSQZSA-N 205.210 -3.164 0 1 BAAF in-man Nc1nccc2nc([C@@H](O)[C@H](O)C(=O)O)[nH]c12 586887673 IUZLSMIVYXGPGW-WDSKDSINSA-N 238.203 -0.981 0 1 BAAF O=C(CP(=O)(O)O)N[C@@H](CCO)C(=O)O 28898691 OIBYCHQSRXCMTC-BYPYZUCNSA-N 241.136 -1.884 0 1 BAAF N[C@H](CO)C(=O)NC(Cc1cnc[nH]1)=C(O)O 100387979 JUWNDTDUAQMIHZ-ZCFIWIBFSA-N 242.235 -1.327 0 1 BAAF endogenous,in-vitro CN(C)CCNC[C@H](N)P(=O)(O)O 653866670 ARYLOGLNSUZRSA-ZCFIWIBFSA-N 211.202 -1.400 0 1 BAAF O=C1N=c2cc3[nH]c(=O)c(=O)[nH]c3cc2=NC1=O 2356860302 UDVKLPQBMLIAIV-UHFFFAOYSA-N 244.166 -2.478 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2COCC[S@@]2=O)cc1F 27562230 XOWBOYJETLSYII-XABCROFNSA-N 248.235 -1.047 0 1 BAAF NC(=O)c1ncn2c1NC[C@@H]1O[C@@H]2[C@@H](O)[C@@H]1O 102982334 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NCCOC(=O)C[C@@](O)(CC(=O)O)C(=O)O 95635814 NUXSZBCGZWMACN-QMMMGPOBSA-N 235.192 -1.831 0 1 BAAF in-vitro CO[C@H]1[C@@H](O)O[C@H](CO)[C@H](OC)[C@@H]1O 169644660 CPBPDKOWJAQGDT-HNEXDWKRSA-N 208.210 -1.913 0 1 BAAF O=C(CF)N[C@H]1[C@H](O)O[C@@H](CO)[C@@H](O)[C@@H]1O 169339172 LMPCEKTVFVQIPT-GRCPKETISA-N 239.199 -3.128 0 1 BAAF N[C@@H](Cn1c2c(c(O)nc1=O)COC2)C(=O)O 1772602483 IFUIGRBRINDTIJ-YFKPBYRVSA-N 241.203 -1.609 0 1 BAAF C[C@H]1O[C@@H](n2nc(C(=N)N)nc2N)[C@H](O)[C@@H]1O 49031930 IFDCMBFKECZASX-WVQVIYPNSA-N 242.239 -2.217 0 1 BAAF N=c1ccn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)n1N 169320549 UMYWOMMIFUJHCC-SHYZEUOFSA-N 242.235 -2.516 0 1 BAAF O=C(O)C[C@@H]1OC(=O)[C@@H](CC(=O)O)OC1=O 2356581825 LWXITGFSKAEHEM-ZXZARUISSA-N 232.144 -1.227 0 1 BAAF O=c1cnn(C/C=C/CP(=O)(O)O)c(=O)[nH]1 1647362 ACXAVPIQKKPRPO-OWOJBTEDSA-N 247.147 -1.335 0 1 BAAF Cc1cn([C@H]2CC[C@@H]([C@H](N)O)O2)c(=O)[nH]c1=O 90157309 GGMLWUBELWMULA-XLPZGREQSA-N 241.247 -1.200 0 1 BAAF O=C1N[C@@H](O)[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO)N1 5132016 NWQUMNKTNQQHPK-UKFBFLRUSA-N 222.197 -3.939 0 1 BAAF in-vitro Cc1cn([C@@H]2C[C@H](N)[C@H](CN)O2)c(=O)[nH]c1=O 5843088 MNQDARLYRXOMEL-FXQIFTODSA-N 240.263 -1.581 0 1 BAAF Cc1cn(C/C(=C/CO)CO)c(=O)[nH]c1=O 6523351 JTXUOOIUNQSJOS-WAPJZHGLSA-N 226.232 -1.244 0 1 BAAF Nc1ccn([C@H]2CO[C@H](CO)[C@@H](O)C2)c(=O)n1 26159383 NDVIZLWDQQFOBJ-GJMOJQLCSA-N 241.247 -1.491 0 1 BAAF O=C1C=C([C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)C(=O)N1 86019952 FFLUMYXAPXARJP-JPCMASIJSA-N 229.188 -2.949 0 1 BAAF COC[C@H]1O[C@@H](O)[C@@H](OC)[C@H](O)[C@H]1OC 2356481581 UTLUVTKMAWSZKV-XGQMLPDNSA-N 222.237 -1.259 0 1 BAAF COC(=O)N[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 3606159 IZZJOGWXTFEDLL-ZYNSJIGGSA-N 237.208 -2.858 0 1 BAAF in-vivo OCCNC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO 27651605 VQSVOQJUFSROBP-HSNKUXOKSA-N 225.241 -3.996 0 1 BAAF O=c1ccn([C@H]2CO[C@H](CO)[C@@H](O)C2)c(=O)[nH]1 27899602 FNOHGPONKYJBAF-GJMOJQLCSA-N 242.231 -1.780 0 1 BAAF CC1=N[C@H]2[C@@H](O1)O[C@](F)(CO)[C@@H](O)[C@@H]2O 58633144 GCSIDVFZDNBNLE-QQGCVABSSA-N 221.184 -1.460 0 1 BAAF in-vitro C[C@@H](O)[C@H](N)C(=O)NC(CC(N)=O)=C(O)O 100388118 HDHAMZYHCHKXGN-CVYQJGLWSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro N[C@@H]1NC=CN1Cc1[nH]c(=O)[nH]c(=O)c1Cl 103589936 VDNGDZIPDSUEKT-SSDOTTSWSA-N 243.654 -1.165 0 1 BAAF in-vivo CCO[C@@]1(CO)OC[C@@H](O)[C@@H](O)[C@@H]1O 196687201 SNKSMYJJYVZUMV-NGJRWZKOSA-N 208.210 -2.176 0 1 BAAF C/C=C\[C@H](O)[C@H](O)/C=C\C(=O)OC[C@H](O)CO 83924165 ZNTNUBKHLXBEIN-QFANGVNGSA-N 246.259 -1.263 0 1 BAAF in-vitro O=P(O)(O)OC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1F 261119168 JHQPJHSZTFXAMO-RSJOWCBRSA-N 232.100 -1.488 0 1 BAAF O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)COP(=O)(O)O 5975491 HNECGPFIYSOYHF-HZLVTQRSSA-N 246.108 -2.737 0 1 BAAF endogenous,in-vitro O=C1NC(=O)[C@@]2(C[C@H](O)[C@@H]([C@@H](O)CO)O2)N1 45387833 OJKOUWVOGGOHAR-RGDLXGNYSA-N 232.192 -2.975 0 1 BAAF C[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O 69480577 GGWZPCSVNVCONW-DGPNFKTASA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro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endogenous,in-vitro C[C@H](O)CC[C@@H]1C[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N2C1 2356786186 ZHRACUBTVDAPDC-HDYISPSHSA-N 245.319 -1.066 0 1 BAAF OC[C@@H](O)[C@@H]1O[C@H]2N=C(S)O[C@@H]2[C@H]1O 5725098 PKBVCSNCOXHULL-FPRJBGLDSA-N 221.234 -1.890 0 1 BAAF NC(=O)Cn1nnc2c(C(N)=O)ncn2c1=O 43206589 HVXJWFHIUJYBDI-UHFFFAOYSA-N 237.179 -3.130 0 1 BAAF C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O 2356872941 ZCDHQTZAGLCRPK-OMMKOOBNSA-N 246.152 -2.441 0 1 BAAF Cc1cn([C@@H](CCO)OCCO)c(=O)[nH]c1=O 6523430 CHQLZIBZRVIBFN-MRVPVSSYSA-N 244.247 -1.265 0 1 BAAF O[C@H]1CC[C@@H](O)[C@H]2[C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H]2O 26393436 NSPXOSBRDNCFGX-SIJQHXPCSA-N 234.248 -2.808 0 1 BAAF NC(=O)c1cn(-c2n[nH]c(C(N)=O)n2)nn1 40565172 PJEWHPKMYPBKDM-UHFFFAOYSA-N 222.168 -2.417 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)[C@H](OP(=O)(O)O)[C@H]1O 2356316203 LUFBHSYJRTVRIJ-BYIBVSMXSA-N 242.168 -2.756 0 1 BAAF O=C1O[C@H](O)C=C1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356704344 QGZHMGMJCBWMLD-TXXZRHAASA-N 232.188 -2.731 0 1 BAAF Nc1ccn([C@H]2C[C@H](NO)[C@@H](CO)O2)c(=O)n1 27559112 ZKOOZFRUHPKHPV-SHYZEUOFSA-N 242.235 -1.547 0 1 BAAF C[C@@H]1[C@H](O)CO[C@@]1(CO)CC(=O)CO 2356729042 BOAJKHZUYIAJMM-FTLITQJKSA-N 204.222 -1.304 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2C[C@H](CO)C[C@@H]2O)cc1F 5640694 QHTRUFIZOPJXNT-ARDNSNSESA-N 244.222 -1.020 0 1 BAAF O[C@H]1CN[C@H](CNCn2ccnc2)[C@@H]1O 26501041 AXLGCGSOTAFBLX-VGMNWLOBSA-N 212.253 -1.876 0 1 BAAF O=c1ccn([C@H]2C[C@@H](O)CC[C@@H]2O)c(=O)[nH]1 26575437 FDNMNNPHESPSEV-FXQIFTODSA-N 226.232 -1.017 0 1 BAAF NS(=O)(=O)c1nn2c(=O)ccnc2s1 72177599 UNJYJKHWVBHJSG-UHFFFAOYSA-N 232.246 -1.202 0 1 BAAF OCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 113321194 SMORULFPMBCEPX-HEIBUPTGSA-N 224.209 -3.205 0 1 BAAF in-vitro CO[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O 169649461 GJUAFBSAJCBGRU-ACQOQSQZSA-N 224.209 -3.206 0 1 BAAF CCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O 261131750 LIHFRDUKHROKTG-RCWTZXSCSA-N 231.292 -1.240 0 1 BAAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@@H](N)[C@H]2O)CC1 2356535518 CBFYXAUILYZCGN-NZFPMDFQSA-N 243.307 -1.954 0 1 BAAF CN1[C@@H](CO)[C@@H](O)C(O)[C@H](O)[C@@H]1CO 6481245 CVSZHOAOIZMVHV-VWDOSNQTSA-N 207.226 -3.264 0 1 BAAF Cc1nn(COC(CO)CO)c(=S)[nH]c1=O 34463102 HUPLYXUSUJSXLJ-UHFFFAOYSA-N 247.276 -1.063 0 1 BAAF Nc1ncnc2c1cnn2COC[C@@H](O)CO 5932822 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49792617 YSNABXSEHNLERR-OVBCRYSKSA-N 245.210 -1.396 0 1 BAAF NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCN1 58576577 WQSVUEFPPFPVNB-BQBZGAKWSA-N 243.263 -1.427 0 1 BAAF C[C@@H](O)[C@H](N)[C@@]1(O)NC(=O)C(=O)N1CC(=O)O 58632876 QYFXMTPKEZLAPH-UWBRJAPDSA-N 247.207 -3.616 0 1 BAAF in-vitro NC(=O)C[C@@H](N)C(=O)NC(CO)=C(O)O 100386101 CPCCTEQYCFWBSG-GSVOUGTGSA-N 219.197 -2.417 0 1 BAAF endogenous,in-vitro N[C@H](Cc1c(O)noc1-c1nnn[nH]1)C(=O)O 13764895 VETYVISPRTYAAW-GSVOUGTGSA-N 240.179 -1.485 0 1 BAAF NC1=NC(=O)[C@@H]2N=CN([C@H]3C=C[C@H](CO)O3)C2=N1 29478752 VMFYYVYXGAIDNC-FSDSQADBSA-N 249.230 -1.774 0 1 BAAF N=c1ccn2c(n1)OC[C@@H]1[C@H](O)[C@H](O)O[C@H]12 36387469 DKCHEEKQJCXSTO-PXBUCIJWSA-N 225.204 -1.421 0 1 BAAF N=C1CC(=O)N=C2SC(S(N)(=O)=O)=NN12 72105058 IXILUMSGGNKYFA-UHFFFAOYSA-N 247.261 -1.142 0 1 BAAF NC(=O)CCN1C[C@@H](O)[C@H](O)[C@@H]1CO 13328187 ARJIGPTXXUGWDZ-SHYZEUOFSA-N 204.226 -2.740 0 1 BAAF in-man Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1 1720020 OGADSZTVCUXSOK-QQRDMOCMSA-N 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CC(=O)N[C@@H]([C@@H](O)CC(=O)C(=O)O)[C@@H](O)CO 2356694986 PIBJMPNYGWNNOS-GEVIPFJHSA-N 249.219 -2.751 0 1 BAAF CC(C)C[C@@H]1NC(=O)[C@]2(O)C[C@@H](O)CN2C1=O 2356801313 RMFKNYZAOZOWDN-VHSKPIJISA-N 242.275 -1.187 0 1 BAAF O=P(O)(O)N(CCO)C[C@H](O)CO 12493457 FRMZOWIQVCBEAC-YFKPBYRVSA-N 215.142 -2.273 0 1 BAAF endogenous,in-man O=P(O)(O)OC[C@H]1C[C@H](O)[C@@H](O)O1 27767246 OOLHLHJSMUTTHE-WISUUJSJSA-N 214.110 -1.436 0 1 BAAF N[C@@H](CCN[C@@H](CCC(=O)O)C(=O)O)C(=O)O 66166244 VTEXNADNTYNYRI-WDSKDSINSA-N 248.235 -1.304 0 1 BAAF in-vitro NC(=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 12502515 UKWLGCFJAVEFPE-SXUWKVJYSA-N 207.182 -3.686 0 1 BAAF Cc1cn(C/C(=C\CO)CO)c(=O)[nH]c1=O 28757316 JTXUOOIUNQSJOS-KRXBUXKQSA-N 226.232 -1.244 0 1 BAAF CNC(=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 40472452 GLOZHHWMZYAHBQ-MLKOFDEISA-N 221.209 -3.425 0 1 BAAF C[C@@H]1O[C@@H](OCCCCCN)[C@H](O)[C@H](O)[C@H]1O 149740620 MBWMYWWCJUUBST-FBDQPXRJSA-N 249.307 -1.041 0 1 BAAF in-vitro NC(=O)CCNC(=O)C1=C[C@H](N)[C@H](O)[C@@H](O)C1 2356833726 KJFMMEXGJALQBH-ZKWXMUAHSA-N 243.263 -2.643 0 1 BAAF CC(=O)N[C@H]1C[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 40533548 PIUQLIWBULGWLI-XRBOHMRVSA-N 219.237 -2.414 0 1 BAAF NS(=O)(=O)c1ccc([C@@H](O)[C@@H](O)CO)cc1 72125945 DWGSQJBAEKZYAT-DTWKUNHWSA-N 247.272 -1.279 0 1 BAAF CCCCN1[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 103270917 ZQVLWTTWYIVORB-APLZJWDSSA-N 249.307 -2.093 0 1 BAAF C[C@@H]1O[C@H]([n+]2cccc(C(N)=O)c2)[C@H](O)[C@@H]1O 263637844 PXAPCLAMQZSOQJ-QSKNDCFUSA-O 239.251 -1.288 0 1 BAAF O=P(O)(O)C[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 38392803 DZTQILMTTKDVHK-PQMKYFCFSA-N 244.136 -3.036 0 1 BAAF O=c1[nH]cnc2c(CNC[C@H](O)CO)c[nH]c12 40422363 IJHZSCKDZFXYFB-ZETCQYMHSA-N 238.247 -1.306 0 1 BAAF OC[C@H](O)[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O 100820650 HYWDXGGHANXDIV-MCXRVIOXSA-N 240.208 -4.498 0 1 BAAF endogenous,in-man OCC(CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 2356540220 QPMTZAPCDCFOEZ-YWIQKCBGSA-N 224.209 -3.205 0 1 BAAF CC[C@@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC1=O 13414450 LYDWCUQSOZRMRD-ATRFCDNQSA-N 227.264 -1.109 0 1 BAAF biogenic,in-vitro O=C(NCCO)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 17147665 DTMUKVUZNZJFNO-YTLHQDLWSA-N 239.224 -4.469 0 1 BAAF endogenous,in-man N[C@@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO 27989678 ZOVOMLAVOZMLDE-FSDSQADBSA-N 245.210 -1.717 0 1 BAAF OC[C@H](O)[C@@H]1O[C@](O)(CO)[C@H](O)[C@@H](O)[C@@H]1O 257441139 HYWDXGGHANXDIV-YKOWBEQASA-N 240.208 -4.498 0 1 BAAF endogenous,in-man O=C1O[C@](O)(CO)[C@@H]2O[C@H](O)[C@@H]3C=C[C@@H]1[C@H]32 2356517851 WFOADYFXGWWIRB-BEESJRNYSA-N 228.200 -1.640 0 1 BAAF N[C@H](CC(=O)O)C(=O)NCCOC(=O)C1CC1 27655244 ZRLFTLKWMBTSKS-SSDOTTSWSA-N 244.247 -1.142 0 1 BAAF O=C1CCS[C@@H]2[C@@H](O)[C@@H](O)[C@H](O)[C@H](CO)N12 299839454 RVPBQMPBKKAUBW-GFBSKYMVSA-N 249.288 -2.265 0 1 BAAF N[C@@H](Cn1cnc2c(=O)[nH]cnc21)[C@@H](O)CO 26499671 YMQWBLRLMCNGGN-WDSKDSINSA-N 239.235 -2.200 0 1 BAAF O=c1ncccn1[C@H]1C[C@@H](CO)[C@@H](O)[C@H]1O 26576426 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endogenous,in-vitro OC[C@@H](O)[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O 100820649 HYWDXGGHANXDIV-RZAHXXBXSA-N 240.208 -4.498 0 1 BAAF endogenous,in-man Nc1ccn([C@H]2C[C@H](O)[C@@]3(O)C[C@H]23)c(=O)n1 100892621 XACQYCDFOZGFDU-NBBQQVJHSA-N 223.232 -1.118 0 1 BAAF CO[C@@H]1C(=N)C[C@@](O)(CO)C[C@H]1NCC(=O)O 2356500943 HEQQNHQKWVIXLJ-QNSHHTMESA-N 246.263 -1.419 0 1 BAAF Nc1ccn([C@H]2[C@@H](CO)[C@H](CO)[C@H]2F)c(=O)n1 28227531 VIAQJAQCFSZFKE-ITFKJWCVSA-N 243.238 -1.065 0 1 BAAF C[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O 38664702 YPXGTKHZRCDZTL-UOWFLXDJSA-N 216.126 -1.802 0 1 BAAF in-vivo O=P(O)(O)OC[C@@H](O)[C@H](O)[C@H](F)CO 40514596 DVUJWOXCZUUAIM-UOWFLXDJSA-N 234.116 -1.852 0 1 BAAF O=C1NC(=O)[C@@H](CCP(=O)(O)O)N1 72180837 MCHDIHXDBNLTLH-GSVOUGTGSA-N 208.110 -1.238 0 1 BAAF O=c1ccn([C@@H]2C[C@H](CO)[C@H](O)[C@H]2O)c(=O)[nH]1 105343632 XCUVKEVNSATDTD-YGBUUZGLSA-N 242.231 -2.188 0 1 BAAF O=C1C=NN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)C1 169325888 HMDRFOSIHRNMNR-LKEWCRSYSA-N 228.204 -1.758 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@H]1OP(=O)(O)O 2356317165 UBXDUQZBZKTGSW-PHYPRBDBSA-N 242.168 -2.756 0 1 BAAF NCC[C@@H](C(=O)O)N1C(=O)[C@@H]2CNC[C@@H]2C1=O 49088587 GHOHYUYCLYMJPX-XVMARJQXSA-N 241.247 -2.007 0 1 BAAF N=C(C(=O)O)[C@H](CC(=O)CO)C(=O)O 584905308 RVRAXUFLRLVVQJ-BYPYZUCNSA-N 203.150 -1.257 0 1 BAAF in-vitro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in-vitro O=C(CO)N[C@H]1[C@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O 2356479978 KSWRTSFNOKOHBE-PNKGULFTSA-N 237.208 -4.105 0 1 BAAF Cc1cn(COC(CO)CO)c(=O)[nH]c1=O 29244109 BQFRWTWERQFADT-UHFFFAOYSA-N 230.220 -1.828 0 1 BAAF CCCCOC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O 40646349 PKFXOEDXEGFAPK-XFWSIPNHSA-N 236.264 -1.395 0 1 BAAF O=C(O)[C@@]1(O)C=C(COP(=O)(O)O)CO1 59066095 ZKHKOMMILZRCOW-ZCFIWIBFSA-N 240.104 -1.175 0 1 BAAF in-vitro C=C1N[C@](O)([C@H](C)N)N(CC(=O)O)C1=O 103537280 KGHMLYAJQPCDLM-YLWLKBPMSA-N 215.209 -1.990 0 1 BAAF in-vitro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220.221 -2.177 0 1 BAAF CC(C)C[C@@H]1NC(=O)[C@@]2(O)C[C@H](O)CN2C1=O 2356801312 RMFKNYZAOZOWDN-LAEOZQHASA-N 242.275 -1.187 0 1 BAAF CC[C@H](C)[C@H]1NC(=O)[C@@H](CC(N)=O)NC1=O 13414453 LYDWCUQSOZRMRD-SHYZEUOFSA-N 227.264 -1.109 0 1 BAAF in-vitro O=P(O)(O)OC[C@@H](O)[C@H](O)[C@@H](F)CO 40514594 DVUJWOXCZUUAIM-VPENINKCSA-N 234.116 -1.852 0 1 BAAF CC(=O)N[C@@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 169330482 JYCMXSZAVKHPJV-HEIBUPTGSA-N 205.210 -2.662 0 1 BAAF Cn1c(=O)c(=O)n(C)c2c(=O)[nH]c(N)nc21 238774623 YWSDUMSNDVESPP-UHFFFAOYSA-N 223.192 -2.097 0 1 BAAF O=C(CO)N[C@@H]1C(=O)O[C@H](CO)[C@H](O)[C@@H]1O 6292548 HGKMWYVYIMDKCV-RAZZTCBWSA-N 235.192 -3.897 0 1 BAAF biogenic O=c1[nH][nH]c(=S)n1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999830 ZARHFEAWTPQLDU-AIHAYLRMSA-N 249.248 -2.155 0 1 BAAF COC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 261088849 DDVBSNPLHUUBOJ-PZRMXXKTSA-N 222.193 -2.998 0 1 BAAF O=c1nc(O)ccn1C[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O 2356466183 WGDUUQDYDIIBKT-IHBLQFBFSA-N 244.203 -2.612 0 1 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C[C@@]1(CO)OC(=O)C[C@@H]2[C@@H](C(=O)O)NC[C@@H]21 27419096 MYYNYTBEAXTWGY-NVGOVIIQSA-N 229.232 -1.027 0 1 BAAF O=C(O)[C@@H](O)[C@@H](C[P@@H](=O)O)C(=O)O 62240950 RZQCPFXISXNJHP-GBXIJSLDSA-N 212.094 -1.400 0 1 BAAF in-vitro Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)CO 34819334 QKCTULZIZBZRBQ-RITPCOANSA-N 239.235 -1.877 0 1 BAAF CC(C)C(=O)O[C@H]1[C@@H](O)[C@@H](O)C=C(CO)[C@H]1O 2356668561 UIDCYBLYOWCMBS-QCLAVDOMSA-N 246.259 -1.431 0 1 BAAF O=C1NC(=O)[C@@]2(N1)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O 3833817 QRXBDPYWCAAAAI-WWHASAIZSA-N 248.191 -4.004 0 1 BAAF in-vitro O=S1(=O)C[C@@H]2O[C@H]1[C@@H](O)[C@H](O)[C@@H]2O 28654088 AXBXANAUPDLUBU-SXUWKVJYSA-N 210.207 -2.778 0 1 BAAF CC1=CCO[C@@H]1NC(=O)[C@@H](O)C[C@H](N)C(=O)O 85997818 UBUUPWLVDKDQNO-ZKWXMUAHSA-N 244.247 -1.432 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cccn2)[C@@H]1O 2356729091 GCDHRJCDABPPMZ-ZEBDFXRSSA-N 211.221 -1.133 0 1 BAAF O=c1[nH]cnc2c1ncn2COC(CO)CO 27853013 INKMBQHLIDNGHQ-UHFFFAOYSA-N 240.219 -1.553 0 1 BAAF OC[C@H](O)[C@@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@H]1O 199428955 BGWQRWREUZVRGI-ABXOWTNVSA-N 210.182 -3.861 0 1 BAAF O=c1nc(O)cnn1[C@@H]1O[C@H](O)[C@H](O)C[C@@H]1O 504433698 FOQXRBMDKGMLOC-HPQVQDLLSA-N 245.191 -2.697 0 1 BAAF biogenic O[C@H]1O[C@@H](C(F)F)[C@@H](O)[C@@H](O)[C@@H]1O 169323490 CSWKRWZKIUAKKR-LHGYGUSFSA-N 200.137 -1.949 0 1 BAAF O=P(O)(O)CC[C@@H](O)[C@H](O)[C@@H](O)CO 169343451 QXPQOXIXCPBBCU-SRQIZXRXSA-N 230.153 -2.371 0 1 BAAF C[C@H]1O[C@H](n2cnc(C(=N)N)n2)[C@H](O)[C@@H]1O 49016653 WANUDLKWDMLBKQ-DJSMDIAISA-N 227.224 -1.799 0 1 BAAF CC(=O)NC[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O 169323485 ZZYSBICZTKUVNL-SHGPDSBTSA-N 221.209 -3.078 0 1 BAAF CO[C@@H]1[C@H](COP(=O)(O)O)O[C@@H](O)[C@H]1O 253803492 DBOUVRQJDFHHAV-UNTFVMJOSA-N 244.136 -1.811 0 1 BAAF O=c1ccncn1[C@@H]1O[C@H](CO)[C@H](O)[C@@H]1O 105187455 KOCMVSNGUFLMHS-RSWFSCQZSA-N 228.204 -2.145 0 3 BAAF CCO[C@@H]1O[C@H](CO)[C@@H](O)C[C@@H]1NC(C)=O 14419384 RYQMOGXKTUYNQX-AXTSPUMRSA-N 233.264 -1.004 0 1 BAAF NS(=O)(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 39290225 OQMMAWGZUDHRTA-PHYPRBDBSA-N 243.237 -3.925 0 1 BAAF in-vitro O=C(O)[C@@H](O)[C@H](F)[C@@H](O)COP(=O)(O)O 40514459 KHSAZEWIUZLRLB-NUNKFHFFSA-N 248.099 -1.760 0 1 BAAF C[C@H]1O[C@@]23N[C@@H](CNC2=NC(N)=NC3=O)[C@H]1O 100770560 JZTDUNXDDUJXRZ-HKVVSHNSSA-N 239.235 -2.723 0 1 BAAF endogenous,in-man CCOC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O 198881925 ZAAXPJUGNJCUHG-NGJRWZKOSA-N 208.210 -2.176 0 1 BAAF O=c1[nH]c(=O)n([C@H]2COCC[S@]2=O)cc1F 27562238 XOWBOYJETLSYII-KXHHVGMCSA-N 248.235 -1.047 0 1 BAAF C[C@@H](O)[C@@H](O)[C@H](O)C(=O)COP(=O)(O)O 8243935 KNYGWWDTPGSEPD-UYFOZJQFSA-N 244.136 -2.233 0 1 BAAF endogenous,in-vitro OCCC[C@@H]1NC[C@H](O)[C@H](O)[C@@H]1CO 87722655 ONRQATVXGSHIBI-RYPBNFRJSA-N 205.254 -1.939 0 1 BAAF CC(C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 94437858 UOEFDXYUEPHESS-ZTKNNBQKSA-N 222.237 -1.789 0 1 BAAF in-vitro,metabolite NC(=O)c1ncn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2F)n1 95613502 SHCMXZUFUGWYDK-DJSMDIAISA-N 246.198 -2.034 0 1 BAAF N[C@@H](CO)C(=O)NC(Cc1cnc[nH]1)=C(O)O 100387983 JUWNDTDUAQMIHZ-LURJTMIESA-N 242.235 -1.327 0 1 BAAF endogenous,in-vitro Nc1cc2nc([C@@H](O)[C@H](O)CO)[nH]c2cn1 586891560 RBWBIYKKESQUKN-SVRRBLITSA-N 224.220 -1.073 0 1 BAAF CC(=C[C@]1(O)O[C@H](CO)[C@H](O)C[C@@H]1O)C(=O)O 2356611965 PJPNEBYGJVXUJV-ODXREFDESA-N 248.231 -1.791 0 1 BAAF O=c1ccn(/C=C/[C@H](O)[C@@H](O)CO)c(=O)[nH]1 1280641 BLUCVFFICDEGFV-GFYDDSRDSA-N 228.204 -2.279 0 1 BAAF C[C@]1(SC[C@@H](N)C(=O)O)CC(=O)NC1=O 1634747 UTXWCUTZQFLTQJ-VHWMUFPASA-N 232.261 -1.063 0 1 BAAF O=C(O)CC[C@@](O)(C[C@@H](O)C(=O)O)C(=O)O 14653442 CQBQTNMBPLCAHQ-SPGJFGJESA-N 236.176 -1.498 0 1 BAAF NC(=O)c1ncn([C@@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n1 13473647 IWUCXVSUMQZMFG-KALNXVOASA-N 244.207 -3.012 0 1 BAAF NC1=NC=N[C@H]2[C@H]1N=CN2[C@@H]1CC[C@@H](CO)O1 49888561 BMMDHYHZUNLVLO-AZQAYCESSA-N 237.263 -1.079 0 1 BAAF C[C@@H]1O[C@H](OP(=O)(O)O)[C@@H](O)[C@@H]1O 2356316344 XXQFKXPJJNBLSU-SKNVOMKLSA-N 214.110 -1.438 0 1 BAAF CO[C@@H]1[C@@H](COP(=O)(O)O)O[C@H](O)[C@@H]1O 27765979 DBOUVRQJDFHHAV-KAZBKCHUSA-N 244.136 -1.811 0 1 BAAF Cc1n[nH]c(=S)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999108 CWUVJXLGLZNSIK-DBRKOABJSA-N 247.276 -1.139 0 1 BAAF CN1C(=O)CS[C@H]1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 95556550 ZGFHXMNWVZJBIA-YTAJOOCQSA-N 249.288 -2.001 0 1 BAAF C[C@@H](O)[C@@H](N)C(=O)NC(CCC(N)=O)=C(O)O 100388164 YLQQAGJFLBZZGU-CLZZGJSISA-N 247.251 -1.639 0 1 BAAF endogenous,in-vitro CO[C@@H]1C(=N)C[C@@](O)(CO)C[C@@H]1NCC(=O)O 2356500944 HEQQNHQKWVIXLJ-SFGNSQDASA-N 246.263 -1.419 0 1 BAAF O=P(O)(O)OC[C@@H](O)[C@H](F)[C@H](O)CO 40818744 LFBIBWHGJKTTMC-UOWFLXDJSA-N 234.116 -1.852 0 1 BAAF C[C@H](O[C@@H]1[C@H](O)[C@H](C)O[C@H](O)[C@@H]1O)C(=O)O 2356594117 JOMFHFOOPCCBLZ-IBMBJZNASA-N 236.220 -1.696 0 1 BAAF O=C1N[C@@H](O)[C@@H]([C@@H](O)[C@@H](O)[C@H](O)CO)N1 5131972 NWQUMNKTNQQHPK-DVKNGEFBSA-N 222.197 -3.939 0 1 BAAF in-vitro COC(=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 39284013 DDVBSNPLHUUBOJ-CQOGJGKDSA-N 222.193 -2.998 0 1 BAAF OCO[C@@H]1[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 2356442917 UPBTZFSUWBIION-FQGZZYRYSA-N 210.182 -3.861 0 1 BAAF O=P1(O)O[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]2O1 83921652 SXHMVNXROAUURW-NCGNNJKGSA-N 242.120 -2.672 0 1 BAAF in-vitro Nc1ccn([C@@H]2S[C@H](O)[C@H](O)[C@@H]2O)c(=O)n1 253671804 LIZHPWUBMJLRON-WNJXEPBRSA-N 245.260 -1.889 0 1 BAAF CNc1ccn(COC(CO)CO)c(=O)n1 29308835 MVXYZDUZDBUUGA-UHFFFAOYSA-N 229.236 -1.388 0 1 BAAF N[C@@H](Cn1c2c(c(O)nc1=O)CNC2)C(=O)O 1772598594 PGFCMMRTCMWFGC-YFKPBYRVSA-N 240.219 -2.036 0 1 BAAF COCCNC(=O)C[C@@H]1O[C@H](CN)[C@H](O)[C@@H]1O 2356835166 KPCZGSKETVLKIW-WDQPUEAGSA-N 248.279 -2.413 0 1 BAAF OC[C@@]1(O)[C@H]2[C@@H](O)OCC[C@H]2[C@@H](O)[C@H]1O 2356488273 GVPJIARKBVSQGO-QGMREWSDSA-N 220.221 -2.584 0 1 BAAF O=c1c(O)cccn1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17128263 GQSAGYKSMRCCRM-ODXREFDESA-N 243.215 -1.835 0 1 BAAF O=C1NC(=O)[C@H](CCP(=O)(O)O)N1 72180838 MCHDIHXDBNLTLH-VKHMYHEASA-N 208.110 -1.238 0 1 BAAF N[C@H](CC(=O)O)C(=O)NC(CO)=C(O)O 100386205 ALFXWGNHRFKRAY-GSVOUGTGSA-N 220.181 -1.818 0 1 BAAF endogenous,in-vitro O=c1ccn([C@@H]2C[C@@H](O)[C@@H](CO)[C@@H]2F)c(=O)[nH]1 169313340 IQKMEEPQIAMEIR-PULFBKJNSA-N 244.222 -1.211 0 1 BAAF O=C1[C@@H]2[C@@H]3CC[C@@H](O3)[C@@H]2C(=O)N1C[C@@H](O)CO 28826440 KLHIKPRMEKSEKE-XGQMLPDNSA-N 241.243 -1.498 0 1 BAAF CNC(=O)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26830262 GLOZHHWMZYAHBQ-NEVCITSRSA-N 221.209 -3.425 0 1 BAAF CCOC(=O)[C@H](CO)NC(=O)[C@H](N)CC(=O)O 27648442 RLLMLNYDKLWJFL-RITPCOANSA-N 248.235 -2.171 0 1 BAAF CC(C)(CO)[C@@H](O)C(=O)NCCNC(=N)N 169352906 QJQSQHKZFZTEMU-LURJTMIESA-N 232.284 -2.035 0 1 BAAF O=C(O)[C@@H]1C[C@H](n2oc(=O)[nH]c2=O)CN1 13601824 IZKVRJOVEQYNBP-IMJSIDKUSA-N 215.165 -1.883 0 1 BAAF O=C(O)[C@@H]1CN(CCP(=O)(O)O)CCN1 22934035 QLFSKCJQCKRTLP-LURJTMIESA-N 238.180 -1.478 0 1 BAAF O=C(NC1CC1)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 29234335 ZFCPMBQNQOPXLN-DFTQBPQZSA-N 247.247 -2.893 0 1 BAAF NC(=O)c1ncn2c(=O)n(CC3CC3)nnc12 139926801 JTCUHMDLSZDIMC-UHFFFAOYSA-N 234.219 -1.205 0 1 BAAF Cc1cncc([C@H](O)[C@@H](O)C(O)O)n1 2356330776 RIWIXLIHHPDVLT-NKWVEPMBSA-N 200.194 -1.510 0 1 BAAF CC(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@H]1O 2356429058 ILLOJQCWUBEHBA-OMKQZNDVSA-N 222.193 -2.651 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@@H](O)[C@H](O)CCO 3580967 KLPBNGZTTQNYHR-SRQIZXRXSA-N 246.152 -2.439 0 1 BAAF in-vitro N[C@@H](Cc1cn(C[C@H](N)C(=O)O)cn1)C(=O)O 14439790 IZQGEZGZCIIKOP-BQBZGAKWSA-N 242.235 -1.751 0 1 BAAF endogenous,in-man CCOC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O 29308921 XRXUJFDSCATVJW-NGJRWZKOSA-N 208.210 -2.176 0 1 BAAF O=C(O)C[C@H]1NC[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 1857571116 LQKIDRRGMYZTDG-YWVLBMEOSA-N 221.209 -3.124 0 1 BAAF Nc1ccn([C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)c1 12504327 OGADSZTVCUXSOK-PRQTWWFRSA-N 242.231 -1.958 0 1 BAAF CN1CN(C)c2c1c(=O)n(C)c(=O)n2C 35923479 RKDRHQXFUAOSMM-UHFFFAOYSA-N 210.237 -1.073 0 1 BAAF CN(C)CCN1CN[C@H]2NC(=O)NC(=O)[C@H]21 618016477 GCUNOTJXXQHWJR-BQBZGAKWSA-N 227.268 -2.055 0 1 BAAF COC(=O)c1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1 1857647610 AINWCIWQXFNFKX-ARDNSNSESA-N 242.235 -2.242 0 1 BAAF O=C1NC(=O)[C@]2(C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)N1 27107824 QAHZIGHCEBUNGT-QMGFNSACSA-N 246.219 -3.341 0 1 BAAF O=[N+]([O-])O[C@@H]1CC[C@@H](O[N+](=O)[O-])[C@H](O)[C@@H]1O 43024146 UUWYEFLMUYTPBD-KAZBKCHUSA-N 238.152 -1.344 0 1 BAAF NCCCC[C@H](N)C(=O)NC(CO)=C(O)O 100387504 CYXGAENENUQKFB-LURJTMIESA-N 233.268 -1.164 0 1 BAAF endogenous,in-vitro COC[C@@H]1O[C@H](OC)[C@@H](O)[C@H](O)[C@H]1O 238762108 FJFRHMFVCLTWOW-RLMOJYMMSA-N 208.210 -1.913 0 1 BAAF C[C@]1(SC[C@H](N)C(=O)O)CC(=O)NC1=O 1634745 UTXWCUTZQFLTQJ-NVNXEXLPSA-N 232.261 -1.063 0 1 BAAF N[C@@H](CC[S@@](=O)C[C@@H](N)C(=O)O)C(=O)O 13430863 JNUGGJHCMRWUDV-HHHFGRRGSA-N 238.265 -2.051 0 1 BAAF OCCCc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn1 1857639262 RBLRBXJUQVKGPB-AEJSXWLSSA-N 242.279 -2.103 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)[C@H](OP(=O)(O)O)[C@H]1O 2356316204 LUFBHSYJRTVRIJ-DPJOLKNXSA-N 242.168 -2.756 0 1 BAAF COC(=O)[C@@H]1C[C@@H](C(=O)O)NC(=O)N1 28766474 QRIBPARFNQBEMI-IMJSIDKUSA-N 202.166 -1.316 0 1 BAAF COC(=O)CN1C[C@@H](CO)O[C@H](OC)[C@H](O)C1 72178281 RBBWURZOJXPGQR-XKSSXDPKSA-N 249.263 -1.814 0 1 BAAF O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)C(O)=C(O)O 100389654 RRHDUJVJAWUZCW-MGGFGJSXSA-N 210.138 -2.003 0 1 BAAF endogenous,in-vitro CNC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 253749440 GLOZHHWMZYAHBQ-JAIWFUSLSA-N 221.209 -3.425 0 1 BAAF N[C@@H](C[C@]1(C(=O)O)C[C@@H]1C(=O)O)C(=O)O 653720224 BHSHZTNHTMTQFY-PDJPSNROSA-N 217.177 -1.036 0 1 BAAF C[C@@H](C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC(=N)N 40836552 NNSUHCJCHFSDOX-YOWKYNACSA-N 233.268 -2.270 0 1 BAAF CO[C@@H]1[C@H](O)O[C@H](CO)[C@H](OC)[C@H]1OC 2356648620 JVOHXPRICXIUJD-QKCLAQEOSA-N 222.237 -1.259 0 1 BAAF OC[C@@H]1O[C@](O)([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]1O 2356420167 QVTGRTRPQZINRF-GUHFPMLUSA-N 240.208 -4.498 0 1 BAAF Bc1cc2c(c3c1CCN(C)C3)=NC(=O)C=2O 2356556792 OYOWFKNXMILRHW-UHFFFAOYSA-N 228.060 -2.241 0 1 BAAF CC(C)C(=O)O[C@@H]1[C@H](O)C(CO)=C[C@@H](O)[C@H]1O 2356668563 UIDCYBLYOWCMBS-ZYUZMQFOSA-N 246.259 -1.431 0 1 BAAF COC(=O)C1=C[C@H](O)[C@H](O)[C@H](C(=O)OC)O1 2356595164 VFCWFXLZQMMDET-JSKYLQRQSA-N 232.188 -1.663 0 1 BAAF O=c1ccn([C@H]2C[C@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 17060088 XCUVKEVNSATDTD-HSLWUYEYSA-N 242.231 -2.188 0 1 BAAF O=P(O)(O)O[C@H]1CO[C@H](O)[C@@H](O)[C@@H]1O 26382038 MVBSAFHMRREWNO-QTBDOELSSA-N 230.109 -2.465 0 1 BAAF C[C@H](O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 28962329 HUJNQKHRQATDHE-GDJKBKKHSA-N 245.235 -2.057 0 1 BAAF CN1[C@@H](CCNC(=N)N)[C@H](O)[C@H](O)[C@H]1CO 64539491 YAXBDFGVNZOPAX-FKSUSPILSA-N 232.284 -2.744 0 1 BAAF N[C@]1(C(=O)O)C[C@H](n2oc(=O)[nH]c2=O)C1 100796462 JUHUHGJBJWKWSA-XLSQBXSWSA-N 215.165 -1.753 0 1 BAAF O=C1N[C@H](O)CCN1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 13520030 UCKYOOZPSJFJIZ-SHGPDSBTSA-N 248.235 -2.841 0 1 BAAF CCCC[C@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 13380490 ZSNFEMNRWFDMNU-KBDSZGMXSA-N 219.281 -1.408 0 1 BAAF 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CO[C@@H]1C[C@H]2[C@H](O)[C@@H](O)[C@@]3(O)CO[C@@H](O1)[C@@H]23 238777017 LVAWHTOAFSCIIW-NEYBOIOJSA-N 232.232 -1.566 0 1 BAAF C[C@@H](O)C(NN)=C(O)OC[C@H](N)C(=O)O 2356811961 BHCCFXCPPXPVOJ-DMTCNVIQSA-N 221.213 -2.014 0 1 BAAF CCOC[C@]1(O)OC[C@H](O)[C@H](O)[C@@H]1O 2356539735 ZAAXPJUGNJCUHG-XAMCCFCMSA-N 208.210 -2.176 0 1 BAAF Cc1cn(/C=C/[C@@H](O)[C@@H](O)CO)c(=O)[nH]c1=O 29486331 UVYVDIMWTLSDFQ-TZIBCRCASA-N 242.231 -1.970 0 1 BAAF N=C(N)NCCN1C[C@H](O)[C@H](O)[C@H]1CO 40957602 XQSUAMWKKQZJOK-DSYKOEDSSA-N 218.257 -3.132 0 1 BAAF CN1[C@H]2[C@H](O)C[C@@]1(O)[C@H](O)[C@H](O)[C@@H]2O 257630983 XTMAEPUCHRMBTC-XAZAIFFQSA-N 205.210 -3.164 0 1 BAAF endogenous,in-man CNC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 13798188 GLOZHHWMZYAHBQ-ZFYZTMLRSA-N 221.209 -3.425 0 1 BAAF CN(C)CCNC(=O)[C@@H]1CNC[C@@H]1C(=O)O 49049448 HJIDRTNTKNWSIL-SFYZADRCSA-N 229.280 -1.416 0 1 BAAF O=C(O)[C@@H](O)[C@@H](O)[C@@H](O)CP(=O)(O)O 72190093 XCBNBIPHASXSKG-HZLVTQRSSA-N 230.109 -2.669 0 1 BAAF in-vivo C[C@](N)(Cn1c(O)noc1=O)C(=O)O 26579908 OQUSXOXYJDOZQS-LURJTMIESA-N 203.154 -1.656 0 1 BAAF CC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)[C@@H]2O)O1 169693492 YRIJMIJJXQAZJU-KZLJYQGOSA-N 216.189 -1.007 0 1 BAAF OC[C@@H](O)[C@H](O)c1nc2cncnc2[nH]1 586889359 KTBBYTJXUQHRLU-RITPCOANSA-N 210.193 -1.261 0 1 BAAF N[C@H](CN1CCOCC1)P(=O)(O)O 653857024 MYBQWHIHPBOCKG-LURJTMIESA-N 210.170 -1.219 0 1 BAAF CC=CC1=C(CO)[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 2356788953 CSBVPLTZWBYCDB-KATARQTJSA-N 216.233 -1.691 0 1 BAAF C[C@]1(CO)O[C@@H](n2ccc(N)nc2=O)C[C@@H]1O 6499857 ROIYOHMMVFSTAJ-SKWCMTHISA-N 241.247 -1.144 0 1 BAAF O=C1NC(=O)[C@@]2(N1)O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]2O 12501147 QRXBDPYWCAAAAI-AZDHXYLBSA-N 248.191 -4.004 0 1 BAAF OC[C@@H](O)[C@H]1O[C@H]2N=C(S)O[C@@H]2[C@@H]1O 13554811 PKBVCSNCOXHULL-QZABAPFNSA-N 221.234 -1.890 0 1 BAAF C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)C(=O)O 69480624 GGWZPCSVNVCONW-QYESYBIKSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro CC(=O)N[C@H]1CN(C)[C@@H](CO)[C@@H](O)[C@@H]1O 145636130 VUPOCHJXEMUXQZ-RBXMUDONSA-N 218.253 -2.481 0 1 BAAF CC1=C[C@@H](O)[C@@H]2[C@@H](CO)C(=O)O[C@]12CO 1857534704 RHWQGOWHLLEHMP-BDNRQGISSA-N 214.217 -1.180 0 1 BAAF C[C@@H](O)[C@H](O)[C@@H]1CNc2nc(N)nc(N)c2N1 6381971 NDSDGUULXHNXGA-IWGUZYHVSA-N 240.267 -1.411 0 1 BAAF N[C@@H](C[P@](=O)(O)CP(=O)(O)O)C(=O)O 62612652 UXBKWDOSNBQQLQ-VKHMYHEASA-N 247.080 -1.196 0 1 BAAF in-vitro CC(C)=CCO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 86049931 GQJQCKUJCHMTNF-LXUNUROVSA-N 248.275 -1.231 0 1 BAAF in-man Nc1nccc2nc([C@H](O)[C@H](O)CO)[nH]c12 586888737 JHIYNTVFDLXKDL-IYSWYEEDSA-N 224.220 -1.073 0 1 BAAF CO[C@@H]1[C@H](C(C)=O)O[C@H](O)[C@@H](O)[C@H]1O 2356512429 SRVBWXXWKIWLAJ-LQOSVEJXSA-N 206.194 -1.971 0 1 BAAF C/C(=N\CCCO)c1c(O)[nH]c(=O)[nH]c1=O 8554091 DBULUSLMCLKECX-BJMVGYQFSA-N 227.220 -1.040 0 1 BAAF OC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1NCCS1 13614922 RCHUVONGFCEQNK-OZRXBMAMSA-N 239.293 -2.915 0 1 BAAF OC[C@@H](O)[C@H]1O[C@@H]2NC(=S)O[C@@H]2[C@@H]1O 15962127 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NC1=NC(=O)[C@H]2N=CN([C@@H]3C=C[C@H](CO)O3)C2=N1 29478763 VMFYYVYXGAIDNC-VQVTYTSYSA-N 249.230 -1.774 0 1 BAAF CNC1=N[C@H]2[C@H](C[C@H](CO)[C@@H](O)[C@@H]2O)S1 147632017 FUCISEZRUFPPGT-DWOUCZDBSA-N 232.305 -1.220 0 1 BAAF O=C1[C@@H](CO)[C@H](CO)[C@@H](CO)[C@@H]1CO 169293610 RVZLQYRTGYZWOJ-NGJRWZKOSA-N 204.222 -1.997 0 1 BAAF O=C(O)[C@@H]1CN2[C@H](CO)[C@H](O)[C@H](O)[C@@H](O)[C@@H]2N1 2356745478 CLJMUGBMMVBGHE-NOVZGDRXSA-N 248.235 -3.872 0 1 BAAF O[C@@H]1[C@H](O)[C@@H](O)[C@H]2[C@@H](O)CC[C@@H](O)[C@H]2[C@H]1O 26393433 NSPXOSBRDNCFGX-AUKQGGJJSA-N 234.248 -2.808 0 1 BAAF O=C1NC(=O)[C@]2(N1)O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]2O 26720777 QRXBDPYWCAAAAI-BONFUNRQSA-N 248.191 -4.004 0 1 BAAF Cn1c[n+](COCCO)c2nc(N)[nH]c(=O)c21 28767731 BLPRWCBEGRNEDC-UHFFFAOYSA-O 240.243 -1.902 0 1 BAAF NC(=O)C(=O)[C@@H]1C(=O)N(c2ccccc2)N=C1N 102959277 CSAKAPYQGJKLFJ-ZETCQYMHSA-N 246.226 -1.024 0 1 BAAF C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@@H]3[C@H](O)OC[C@@]1(O)[C@H]32 2356415239 FFXUKJKVADHZEA-CORUZENWSA-N 230.216 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-2.110 0 1 BAAF N=C(N)c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 35803836 ZWUAUEINCTYINW-FDDDBJFASA-N 241.247 -1.616 0 1 BAAF N[C@@H](CCC(=O)O)C(=O)NC(CO)=C(O)O 100386615 QTTRRTZUBIBDTJ-BYPYZUCNSA-N 234.208 -1.428 0 1 BAAF endogenous,in-vitro OC[C@@H]1[C@H]2O[C@@H]3OC[C@@H]4[C@H](O)[C@@H](O2)[C@@]1(O)[C@H]34 2356414384 JSTQABBESURXTN-MSZVMKHESA-N 230.216 -1.956 0 1 BAAF O=c1ccoc(C2=C[C@H](O)[C@H](O)[C@H](O)[C@H]2O)c1 2356593112 XGESXBUIFZUBTP-DMLMCSCLSA-N 240.211 -1.520 0 1 BAAF COC[C@H](O)[C@H](O)[C@@H](OC)[C@H](CO)OC 2356690560 CHWRLBUTXCTNFG-JBDRJPRFSA-N 224.253 -1.623 0 1 BAAF N[C@@]12NC(=O)[C@]3(O)[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@@H]43 195473674 VBEXUTHCHITDKA-VVJFDXMMSA-N 218.256 -1.110 0 1 BAAF CC(=O)N[C@H]([C@@H](O)CO)[C@H](O)CC(=O)C(=O)O 2356694985 PIBJMPNYGWNNOS-DTLFHODZSA-N 249.219 -2.751 0 1 BAAF O=C1CC(C[C@H](O)[C@H](O)[C@@H](O)CO)CC(=O)N1 17260030 GKIPNFRUEODSQW-BYULHYEWSA-N 247.247 -2.496 0 1 BAAF Nc1ncn(C[C@H]2CO[C@H](CO)O2)c(=O)n1 26283082 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584904639 AHFZYQXMAHOUES-MYKRQKDWSA-N 217.177 -1.831 0 1 BAAF in-vitro CN(C)C(=O)CSc1n[nH]c(=O)[nH]c1=O 13545784 AZLHCYAMNOQOPL-UHFFFAOYSA-N 230.249 -1.362 0 3 BAAF N[C@@H]1C[C@@H](n2cc(F)c(=O)[nH]c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endogenous,in-man O=C(O)[C@H]1CN(CCP(=O)(O)O)CCN1 22934039 QLFSKCJQCKRTLP-ZCFIWIBFSA-N 238.180 -1.478 0 1 BAAF NC[C@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O 28087460 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236.264 -1.395 0 1 BAAF NC1=NC(=O)N([C@H]2O[C@@H](CO)[C@@H](O)[C@@H]2O)CN1 5370861 LJIRBXZDQGQUOO-FSIIMWSLSA-N 246.223 -3.277 0 1 BAAF C[C@H](ONC(=O)C[C@H](N)C[C@@H](O)CN)C(=O)O 26485182 OCOOOFDNVYPOID-RRKCRQDMSA-N 249.267 -2.066 0 1 BAAF O=C(NC1CC1)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 40641591 ZFCPMBQNQOPXLN-ABRLLLAPSA-N 247.247 -2.893 0 1 BAAF CCC[C@@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O 95573961 ADHBBGZXYNTTLK-BGKGJTHRSA-N 205.254 -1.798 0 1 BAAF OC[C@@H]1O[C@H](n2cnnc2O)[C@H](O)[C@H]1O 2356672815 ZAVXIBWBPKHKGY-AZGQCCRYSA-N 217.181 -2.405 0 1 BAAF CN(C)c1c([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)c1=O 1654559 LMWTXQXIXVGRBA-RRKCRQDMSA-N 241.243 -1.468 0 1 BAAF C/C=C(\C)CO[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14590687 RQSHFEQQQBCYNX-MGJWPJHVSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man C[C@@H](O)[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)O 60147881 YKRQRPFODDJQTC-GJMOJQLCSA-N 247.295 -1.607 0 1 BAAF endogenous,in-man O=C1C[S@@](=O)[C@@H]2[C@H](O)[C@H](O)[C@H](O)CN12 95561447 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243.215 -1.835 0 1 BAAF Nc1ccn([C@@H]2S[C@H](O)[C@@H](O)[C@H]2O)c(=O)n1 253671802 LIZHPWUBMJLRON-UCROKIRRSA-N 245.260 -1.889 0 1 BAAF Cn1c(=O)c2c(=O)c3[nH]cc[nH]c3c(=O)c2c1=O 137077815 LTJUYMLYLPFDEZ-UHFFFAOYSA-N 245.194 -1.134 0 1 BAAF COC(OC)[C@@H](O)[C@@H]1OC[C@@H](O)[C@@H]1O 238760051 NEVJSDCAIXBUDB-JRTVQGFMSA-N 208.210 -1.913 0 1 BAAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC1CC1 34605624 KWBAIPASFIBUNH-UTINFBMNSA-N 217.265 -1.844 0 1 BAAF O=C(CO)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O 2356479977 KSWRTSFNOKOHBE-HVLFGXPUSA-N 237.208 -4.105 0 1 BAAF O=c1nc(O)ccn1[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 253623128 CYFJUPFBCYRZFA-MLQRGLMKSA-N 244.203 -2.440 0 1 BAAF NC(=O)[C@@H]1CCN(CCC[C@@H](N)C(=O)O)NC1 2356538345 BJVRJQOYGCWXAR-HTQZYQBOSA-N 244.295 -1.510 0 1 BAAF NC(=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 6753401 UKWLGCFJAVEFPE-BYIBVSMXSA-N 207.182 -3.686 0 1 BAAF O=C1N[C@@H](O)CCN1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 169303216 UCKYOOZPSJFJIZ-RLMOJYMMSA-N 248.235 -2.841 0 1 BAAF OCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@@H]1CO 169692530 ONRQATVXGSHIBI-BGZDPUMWSA-N 205.254 -1.939 0 1 BAAF O=c1ccn([C@@H]2C[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]1 40676482 JIFNSIBMNUNTSK-GCXDCGAKSA-N 244.222 -1.211 0 1 BAAF N[C@@H](CN1C=C(F)C(=O)N[C@H]1O)C(=O)O 4654874 YIBVSVWKLVBIKS-MHTLYPKNSA-N 219.172 -2.083 0 1 BAAF biogenic,in-vitro O=P(O)(O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1F 27845022 JHQPJHSZTFXAMO-MBMOQRBOSA-N 232.100 -1.488 0 1 BAAF N=c1[nH]cc2nc([C@H](O)[C@H](O)C(=O)O)nc-2[nH]1 586891439 QJODPHPKVAIWCS-DMTCNVIQSA-N 239.191 -1.804 0 1 BAAF C[C@@H]1[C@H](O)[C@H](O)[C@H]2C(C(=O)O)=COC[C@@]12O 2356452672 ZCPRKXVRISCLMR-FUSRNSPPSA-N 230.216 -1.296 0 1 BAAF OC[C@@H](O)[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@H]1O 59641689 HYWDXGGHANXDIV-CIAXFZGJSA-N 240.208 -4.498 0 1 BAAF in-man COC(=O)C1=CO[C@@H](O)[C@@H]2C(CO)=C[C@@H](O)[C@H]12 85848472 QMBSLGFBNUKGRJ-SDNRWEOFSA-N 242.227 -1.083 0 1 BAAF NCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 169315760 FCHFWGHLTCCLMH-QQGCVABSSA-N 239.293 -2.522 0 1 BAAF C[C@@H]1[C@@H](O)[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N21 1857583241 TXKSAMJHOAHOGY-OCVKVGDCSA-N 219.237 -3.123 0 1 BAAF O=C1O[C@@H]([C@H](O)CO)[C@@H]([C@H](O)CO)OC1=O 5502275 NPXVGARLFHBJTQ-KAZBKCHUSA-N 236.176 -3.470 0 1 BAAF Nc1ncn(C[C@@H]2CO[C@H](CO)O2)c(=O)n1 26270592 URBMAUGTAHHBGW-RITPCOANSA-N 228.208 -2.046 0 1 BAAF CNC(=O)[C@H](C)NC(=O)c1[nH]ccc(=O)c1O 36519308 USTRNFBLXNOBIX-YFKPBYRVSA-N 239.231 -1.055 0 1 BAAF CCC[C@H](O)[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O 95571731 ADHBBGZXYNTTLK-LJASKYJCSA-N 205.254 -1.798 0 1 BAAF C[C@]1(O)[C@H](O)C[C@H]2[C@@H](CO)COC(=O)[C@H]21 238773355 CCTSZLOYMHLMHP-CRKKBNSPSA-N 216.233 -1.100 0 1 BAAF Nc1ccnc2[nH]c([C@H](O)[C@H](O)CO)nc12 586891624 RSGTUMKPBLAUNC-IYSWYEEDSA-N 224.220 -1.073 0 1 BAAF O=S(=O)(O)OC[C@H]1O[C@H](O)C[C@@H](O)[C@@H]1O 58650367 GDISEEDIIABUSR-ZXXMMSQZSA-N 244.221 -2.365 0 1 BAAF in-vitro OC[C@H](O)[C@@H]1O[C@](O)(CO)[C@H](O)[C@H]1O 2356380686 ODLCBLQABZKYGG-YPPKRKOXSA-N 210.182 -3.859 0 1 BAAF O=C(O)CS[C@H](C(=O)O)[C@@H](O)C(=O)O 14980308 IWJILVQLZBBHNA-DMTCNVIQSA-N 224.190 -1.297 0 1 BAAF C[C@H](O[C@H]1[C@H](O)[C@@H](O)O[C@@H](C)[C@H]1O)C(=O)O 2356594119 JOMFHFOOPCCBLZ-ZKLIOYSQSA-N 236.220 -1.696 0 1 BAAF OC[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O 13551949 HAIWUXASLYEWLM-REQIZBSHSA-N 210.182 -3.859 0 1 BAAF endogenous,in-man C[C@H]1[C@H](O)[C@@H](O)[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)N12 28654723 TXKSAMJHOAHOGY-FDQLZJOISA-N 219.237 -3.123 0 1 BAAF C[C@@H](O)[C@H]1C[C@@H]2OC(N(C)C)=N[C@@H]2[C@@H](O)[C@@H]1O 146290023 FZOKGSDDKBIICT-NRNPDCPVSA-N 244.291 -1.206 0 1 BAAF COC(=O)/C=C/C(=O)NC[C@H](N)C(=O)N(C)C 299853635 NPENBGUOVNCYAJ-KPJROHGDSA-N 243.263 -1.753 0 1 BAAF COC1=CC(=O)O[C@H]2[C@@H]1[C@H](O)CO[C@H]2O 1857566186 JGYHVJAGBMIBJB-LPJZALPJSA-N 216.189 -1.232 0 1 BAAF OCC(CO)O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356540217 QPMTZAPCDCFOEZ-HSNKUXOKSA-N 224.209 -3.205 0 1 BAAF O[C@H]1[C@H]2CCO[C@@H]3OC[C@](O)([C@@H]1O)[C@@H]23 59589251 QMQZZRSFTSGWJA-ZQBLYPSISA-N 202.206 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237.208 -3.538 0 1 BAAF O=C1O[C@H](O)C=C1[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 2356704343 QGZHMGMJCBWMLD-RLMOJYMMSA-N 232.188 -2.731 0 1 BAAF O=P(O)(O)CC[C@@H](O)[C@H](O)[C@H](O)CO 40514676 QXPQOXIXCPBBCU-PBXRRBTRSA-N 230.153 -2.371 0 1 BAAF CN(CC(=O)O)NC(=O)C[C@H](N)[C@H]1C[C@H]1N 58689755 ICNLAIKPNJRCTD-XVMARJQXSA-N 230.268 -1.901 0 1 BAAF COC(=O)[C@H](OC)[C@@H]1OC[C@@H](O)[C@@H]1O 238770821 GVLALIAFAWFGPO-XZBKPIIZSA-N 206.194 -1.705 0 1 BAAF Nc1ccn([C@H]2C[C@@H](CO)[C@H](O)[C@@H]2N)c(=O)n1 27552760 SYHCLWAQQJIUJE-ITFKJWCVSA-N 240.263 -1.933 0 1 BAAF C[C@@]1(SC[C@H](N)C(=O)O)CC(=O)NC1=O 1634744 UTXWCUTZQFLTQJ-RNHFCUEFSA-N 232.261 -1.063 0 1 BAAF O=c1ccn([C@@H]2CO[C@@H](CO)[C@@H](O)C2)c(=O)[nH]1 27899595 FNOHGPONKYJBAF-FXQIFTODSA-N 242.231 -1.780 0 1 BAAF C[C@H]1O[C@@H](NS(N)(=O)=O)[C@@H](O)[C@@H](O)[C@@H]1O 72176263 JRZLSPHVEFMWQW-RWOPYEJCSA-N 242.253 -3.393 0 1 BAAF Nc1nccc2nc([C@H](O)[C@@H](O)CO)[nH]c12 586888721 JHIYNTVFDLXKDL-CAHLUQPWSA-N 224.220 -1.073 0 1 BAAF 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O=S(=O)(O)O[C@H]1[C@@H](O)O[C@@H]2CO[C@H]1[C@H]2O 5851134 BBGPRYFPTZDJIZ-PHYPRBDBSA-N 242.205 -2.349 0 1 BAAF in-vivo N[C@H]1C[C@H](N)[C@@H](C(=O)N2CCNCC2)C[C@@H]1O 26994572 UQLAZUTVXXHDKL-XKNYDFJKSA-N 242.323 -2.156 0 1 BAAF COC[C@@H](O)[C@@H]1OC(=O)[C@H](OC)[C@H]1OC 169656933 SPOZMXNRQKNYRY-VGRMVHKJSA-N 220.221 -1.051 0 1 BAAF NC1=NC=N[C@@H]2[C@@H]1N=CN2[C@H]1CC[C@H](CO)O1 253638797 BMMDHYHZUNLVLO-DQUBFYRCSA-N 237.263 -1.079 0 1 BAAF OC[C@H](O)[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1O 2042986 BGWQRWREUZVRGI-CRRBJEAESA-N 210.182 -3.861 0 1 BAAF OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)c1nnn[nH]1 17120255 VPUGXNYOCIAXLS-QMKXCQHVSA-N 220.185 -3.692 0 1 BAAF N[C@@]1(C(=O)NCC(=O)O)CC[C@H]2[C@H](C(=O)O)[C@H]21 28469392 DPUQVZSEOIDCTR-DEGSGYPDSA-N 242.231 -1.375 0 1 BAAF Nc1nc2nc(S)n(CCO)c2c(=O)[nH]1 98208970 OYFBJNRCXXDVIZ-UHFFFAOYSA-N 227.249 -1.017 0 1 BAAF in-vitro Nc1cn([C@@H]2C[C@H](O)[C@H](CO)C2)c(O)nc1=O 253634037 MYKYWKUWDWHPAJ-HAFWLYHUSA-N 241.247 -1.165 0 1 BAAF N=C(N)N[C@H]1C[C@@H](NC(=N)N)[C@@H](O)[C@H](O)[C@@H]1O 2356433645 PYSUDYHJSLFULD-RXRWUWDJSA-N 246.271 -3.824 0 1 BAAF N[C@H]1CCCNC(=O)[C@@H](N)CCCNC1=O 2356526863 NWDFWCXKIDTJBA-YUMQZZPRSA-N 228.296 -1.553 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@H](O)[C@H](F)CO 27769694 DVUJWOXCZUUAIM-MROZADKFSA-N 234.116 -1.852 0 1 BAAF OC[C@@]12CCCN1C[C@@H](O)[C@@H](O)[C@@H]2O 473115874 VAJIQEORJZUVIB-LURQLKTLSA-N 203.238 -2.090 0 1 BAAF C[C@H](C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)NC(=N)N 40836554 NNSUHCJCHFSDOX-RZUNNTJFSA-N 233.268 -2.270 0 1 BAAF O=C1C=CC(=O)N1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49785966 KODDFQSXGJVLOI-XCBZGROMSA-N 229.188 -2.650 0 1 BAAF CC(=O)CCn1cnc2c(c1=O)=NC(=O)N=2 2356321273 CEBSEFOISSCPLO-UHFFFAOYSA-N 220.188 -1.405 0 1 BAAF C[C@@H]1NC(=N)N2CC[C@H](O)[C@@]23NC(=N)N[C@@H]13 2356852587 QREWPEMPVQOBAA-WWSLTDMBSA-N 224.268 -1.828 0 1 BAAF O=c1ccn(/C=C/[C@H](O)[C@H](O)CO)c(=O)[nH]1 5605192 BLUCVFFICDEGFV-YPIXSHMWSA-N 228.204 -2.279 0 1 BAAF N[C@@]1(C(=O)O)C[C@@]1(F)[C@H](O)P(=O)(O)O 84690844 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0 1 BAAF N=C(N)Nc1nc(N)nc2c1ncn2CCO 95589860 RQLXVZVUCTVUTR-UHFFFAOYSA-N 236.239 -1.294 0 1 BAAF NC(=O)C[C@H](N)C(=O)NC(CO)=C(O)O 100386103 CPCCTEQYCFWBSG-VKHMYHEASA-N 219.197 -2.417 0 1 BAAF endogenous,in-vitro CCCNC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1 102253206 XHPCHPXULIXREB-DQUBFYRCSA-N 233.264 -1.880 0 1 BAAF CN1CCN([C@@H]2[C@H](CN)O[C@@H](CO)[C@@H]2O)CC1 2356292082 JCTABYWKEGVLOS-MMWGEVLESA-N 245.323 -2.318 0 1 BAAF NC(=O)C[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29330819 LIAOMNGNFIFMCN-HLGMCDBXSA-N 221.209 -3.296 0 1 BAAF Nc1ncc(Cl)nc1C(=O)NC(N)N 29396031 JLNMVUIHVREWQX-UHFFFAOYSA-N 216.632 -1.357 0 1 BAAF O=P1(O)O[C@@H]2[C@@H](O1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O 83921654 SXHMVNXROAUURW-VTJCEZEHSA-N 242.120 -2.672 0 1 BAAF in-vitro O=C(O)[C@H](O)[C@@H](O)c1nc2cncnc2[nH]1 586890707 ONFXMYVHEUNDKE-RFZPGFLSSA-N 224.176 -1.168 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)[C@H](O)[C@H]1OP(=O)(O)O 2356317166 UBXDUQZBZKTGSW-RDQKPOQOSA-N 242.168 -2.756 0 1 BAAF O=C1N[C@H]2O[C@@H]([C@H](O)CO)[C@@H](O)[C@H]2O1 1036771 CPBONPURCYQKHB-DVKNGEFBSA-N 205.166 -2.466 0 1 BAAF C[C@@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@H]1O 33905695 WUBAOANSQGKRHF-YDLFOAGRSA-N 228.204 -1.824 0 1 BAAF in-vitro,metabolite O=P(O)(O)OC[C@@H](O)[C@@H](F)[C@H](O)CO 40818740 LFBIBWHGJKTTMC-WDCZJNDASA-N 234.116 -1.852 0 1 BAAF C[C@@H](O)[C@@H](N)C(=O)NC(CCC(=O)O)=C(O)O 100388174 NQWARYHDIUAWQF-CLZZGJSISA-N 248.235 -1.039 0 1 BAAF endogenous,in-vitro O=C1NCCCN1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16977996 RUEVGIQZRMULBN-NGJRWZKOSA-N 232.236 -2.159 0 1 BAAF O=C1C[C@@H]2[C@@H](O)C=C(CO)[C@]2(CO)O1 33833505 GXMPAYJMNREZKW-FJXKBIBVSA-N 200.190 -1.426 0 1 BAAF biogenic,in-vitro C[C@@H]1[C@H](O)[C@@H]2OC(=O)[C@H]3[C@@H]2[C@]1(O)CO[C@H]3O 2356415240 FFXUKJKVADHZEA-HAUMBLMHSA-N 230.216 -1.766 0 1 BAAF C[C@H](O)[C@H](N[N])C(=O)OC[C@@H](N)C(=O)O 2356828809 ILAVGKNLUJZPRQ-LMVFSUKVSA-N 219.197 -2.736 0 1 BAAF O=C(O)C(=O)C[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO 3870005 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2356436244 GBNSPDJKJDIAFT-ZJNAVPOCSA-N 206.194 -2.233 0 1 BAAF CC=C(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356454639 RQSHFEQQQBCYNX-NZHYYXIDSA-N 248.275 -1.231 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2ccnc2)[C@H]1O 2356313638 PDGMQLZCVRCODU-HXLXBVJFSA-N 211.221 -1.133 0 1 BAAF COC(=O)C1=CO[C@@H](O)[C@H]2[C@@H]1C=C[C@]2(O)CO 5996846 CYFGAUDUKUUIEV-IALJFVCMSA-N 242.227 -1.083 0 1 BAAF biogenic,in-vitro NC1=NC(=O)[C@@H]2N=CN([C@@H]3C=C[C@H](CO)O3)C2=N1 29478759 VMFYYVYXGAIDNC-DSYKOEDSSA-N 249.230 -1.774 0 1 BAAF Cc1cn(/C=C/[C@H](O)[C@@H](O)CO)c(=O)[nH]c1=O 29486333 UVYVDIMWTLSDFQ-HZIBQTDNSA-N 242.231 -1.970 0 1 BAAF COC(OC)[C@H](O)[C@@H]1OC[C@H](O)[C@H]1O 2356536028 NEVJSDCAIXBUDB-BDVNFPICSA-N 208.210 -1.913 0 1 BAAF C[C@@H]1O[C@@]23N[C@@H](CN=C2NC(=N)NC3=O)[C@@H]1O 2356564962 JZTDUNXDDUJXRZ-LUMVGBRKSA-N 239.235 -2.513 0 1 BAAF N=c1ncn(C[C@@H](O)CO)c2nc[nH]c12 39723 XNEBSVYACKTMFE-RXMQYKEDSA-N 209.209 -1.408 0 1 BAAF biogenic N=C(N)c1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n1 1537260 NHKZSTHOYNWEEZ-RGDLXGNYSA-N 243.223 -2.826 0 1 BAAF O=P(O)(O)C[C@@H](O)Cn1cncn1 29465552 ZXKJPBBOMRHTCH-YFKPBYRVSA-N 207.126 -1.183 0 1 BAAF in-vitro OC[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@H]1O 38653799 HAIWUXASLYEWLM-RRNSMKEASA-N 210.182 -3.859 0 1 BAAF in-man C/C=C/[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 40979322 ITHPMJDGCIJSAU-WGQJXPIPSA-N 204.222 -1.595 0 1 BAAF O=C(O)C1=C[C@H](O)C[C@@H]([C@H](O)CO)O1 58639086 DVEBLXNKVWKMJU-PBXRRBTRSA-N 204.178 -1.542 0 1 BAAF in-vitro O=c1ccn([C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c(=O)[nH]1 105367611 CYFJUPFBCYRZFA-YDLFOAGRSA-N 244.203 -2.852 0 1 BAAF O=C1C[C@@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@@H]2CO1 2356600403 KTPUPORHUXLBHU-OFKRZXBASA-N 218.205 -2.376 0 1 BAAF CO[C@H]([C@H](O)C(=O)O)[C@@H](O)[C@@H](O)C(=O)O 2356626841 MDGDZMIEJCCPTI-QTBDOELSSA-N 224.165 -2.747 0 1 BAAF O=C1NC(=S)N[C@@]12OC[C@@H](O)[C@H](O)[C@@H]2O 26720474 PZCVMORWKOVUST-SUXKVKKRSA-N 234.233 -3.200 0 1 BAAF COC(=O)[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26839645 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O=C(NC1CC1)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 40641587 ZFCPMBQNQOPXLN-CBHQDSPSSA-N 247.247 -2.893 0 1 BAAF C[C@H]1O[C@H](n2nc(C(=N)N)nc2N)[C@H](O)[C@@H]1O 49031933 IFDCMBFKECZASX-GTBMBKLPSA-N 242.239 -2.217 0 1 BAAF N[C@@H](NC[C@@H](CC(=O)O)C(=O)O)C(=O)O 238782174 RWDVGNGNPXWOFC-WUJLRWPWSA-N 220.181 -1.879 0 1 BAAF O=C(O)CC[C@@H](NC(=O)C(=O)C(=O)O)C(=O)O 2356435269 AKRUTIZZAMNMHJ-GSVOUGTGSA-N 247.159 -1.926 0 1 BAAF OCC1=N[C@H]2[C@@H](O1)O[C@H](CO)[C@@H](O)[C@@H]2O 95921364 FAUNLXBEFZYFSG-PNAXYBNRSA-N 219.193 -2.785 0 1 BAAF in-vitro CC(C)=CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 86049933 GQJQCKUJCHMTNF-VPJKUYQRSA-N 248.275 -1.231 0 1 BAAF in-man N=c1[nH]cc2nc([C@@H](O)[C@H](O)C(=O)O)nc-2[nH]1 586891442 QJODPHPKVAIWCS-IMJSIDKUSA-N 239.191 -1.804 0 1 BAAF CN(C)CCN1CN[C@@H]2NC(=O)NC(=O)[C@H]21 618016482 GCUNOTJXXQHWJR-NKWVEPMBSA-N 227.268 -2.055 0 1 BAAF C[C@H](O)C(NN)=C(O)OC[C@H](N)C(=O)O 2356811962 BHCCFXCPPXPVOJ-IMJSIDKUSA-N 221.213 -2.014 0 1 BAAF 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100386107 DYKOLPAMBLDKOY-IUYQGCFVSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro CC(=O)N[C@H]1[C@@H](O)C=C(C(=O)O)O[C@@H]1O 238125522 AHFZYQXMAHOUES-WSDOSGOUSA-N 217.177 -1.831 0 1 BAAF in-vitro O=P(O)(O)OC[C@H]1O[C@H](O)C[C@H]1O 3869834 KKZFLSZAWCYPOC-WDCZJNDASA-N 214.110 -1.436 0 1 BAAF N[C@@H](Cc1cncn1C[C@H](N)C(=O)O)C(=O)O 14439782 MYLPOAPVPIJSGR-BQBZGAKWSA-N 242.235 -1.751 0 1 BAAF endogenous,in-man Nc1cc2nc([C@@H](O)[C@@H](O)CO)[nH]c2cn1 586891561 RBWBIYKKESQUKN-XPUUQOCRSA-N 224.220 -1.073 0 1 BAAF N=C(NCCO)N1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO 103300150 UYNSNFSGUSLUKL-ULAWRXDQSA-N 249.267 -3.738 0 1 BAAF O=C1C[C@@H]2NC(=O)[C@@H](CCCCN1)NC2=O 1872130 BFKVJADDVUKUIU-RQJHMYQMSA-N 225.248 -1.340 0 1 BAAF in-vitro Nc1cnn([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)c1 49017512 QYUGEWJDZJZCSW-YYNOVJQHSA-N 243.219 -2.563 0 1 BAAF C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O 69480592 GGWZPCSVNVCONW-FDROIEKHSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro N[C@]12NC(=O)N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H]2O 84632660 QSJOCUZQHBBNGJ-NVKKRIHQSA-N 219.197 -4.220 0 1 BAAF C[C@@H](O)[C@H](O)[C@H](O)C(=O)COP(=O)(O)O 100585428 KNYGWWDTPGSEPD-PQLUHFTBSA-N 244.136 -2.233 0 1 BAAF endogenous,in-vitro O=c1ccncn1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 105187458 KOCMVSNGUFLMHS-VCGXYPBASA-N 228.204 -2.145 0 3 BAAF C[C@H]1N[C@H]2[C@H](O[C@H](CO)[C@@H](O)[C@@H]2O)S1 24610608 XWPUWEBFKDEDIF-GUHFPMLUSA-N 221.278 -1.524 0 1 BAAF in-vitro C[C@@H]1[C@@H](O)CO[C@@]1(CO)CC(=O)CO 2356729041 BOAJKHZUYIAJMM-BWVDBABLSA-N 204.222 -1.304 0 1 BAAF CO[C@@H]1O[C@H](C(=O)O)[C@H](O)[C@@H](O)[C@@H]1NC(C)=O 40440464 HPXHVBAASZCSSR-KPRJIFDWSA-N 249.219 -2.331 0 1 BAAF CC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356581590 BMELUBMFZWGHLD-OMKQZNDVSA-N 206.194 -2.582 0 1 BAAF OC[C@@H]1N[C@H](C[C@@H](O)CO)[C@H](O)[C@@H](O)[C@@H]1O 49070250 NAPLJOJYIOTRTM-NTXXKDEISA-N 237.252 -3.855 0 1 BAAF N[C@@H](CC(=O)O)[C@H](O)[C@H](O)[C@H](N)CC(=O)O 13437974 SJDZSCFHDFZAHQ-DDYGQXQVSA-N 236.224 -2.688 0 1 BAAF O=C(O)C(OC[C@@H](O)Cn1cncn1)C(=O)O 27634520 SOKVDNVHWJIGIG-YFKPBYRVSA-N 245.191 -1.807 0 1 BAAF CCOC(=O)[C@H](CO)NC(=O)[C@@H](N)CC(=O)O 28002312 RLLMLNYDKLWJFL-WDSKDSINSA-N 248.235 -2.171 0 1 BAAF C[C@H](O)[C@@H](N)C(=O)NC(CC(=O)O)=C(O)O 100388128 ALTFFCAKDVELOR-BBIVZNJYSA-N 234.208 -1.430 0 1 BAAF endogenous,in-vitro CCCC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 13380491 ZSNFEMNRWFDMNU-WLRJLXCNSA-N 219.281 -1.408 0 1 BAAF O=c1ccn([C@@H]2CO[C@@H](CO)[C@H](O)C2)c(=O)[nH]1 40519813 FNOHGPONKYJBAF-RNJXMRFFSA-N 242.231 -1.780 0 1 BAAF O=C(O)[C@H](O)[C@@H](O)c1nc2c(O)ncnc2[nH]1 586885163 BPUKRPLIHYDOES-QWWZWVQMSA-N 240.175 -1.463 0 1 BAAF O=C1O[C@@H]([C@@H](O)CO)[C@@H]([C@@H](O)CO)OC1=O 17224090 NPXVGARLFHBJTQ-OMMKOOBNSA-N 236.176 -3.470 0 1 BAAF Nc1cn([C@@H]2C[C@@H](CO)C[C@@H]2O)c(=O)[nH]c1=O 29344722 IHMQPKOBJLKNQT-NJUXHZRNSA-N 241.247 -1.577 0 1 BAAF OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2cn[nH][n+]21 33821361 QTNWFPNNMUCBLD-XZBKPIIZSA-O 202.190 -3.001 0 1 BAAF in-vitro O=P(O)(O)O[C@@H]1CO[C@H](O)[C@@H](O)[C@H]1O 253634356 MVBSAFHMRREWNO-STGXQOJASA-N 230.109 -2.465 0 1 BAAF N[C@H](CN[C@H](CCC(=O)O)C(=O)O)C(=O)O 2356346746 XYQHCOGLGSNTNV-RFZPGFLSSA-N 234.208 -1.694 0 1 BAAF O=C(O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O 5975508 HNECGPFIYSOYHF-UZBSEBFBSA-N 246.108 -2.737 0 1 BAAF endogenous,in-vivo O=c1ncccn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c1nc2cncnc2[nH]1 586889357 KTBBYTJXUQHRLU-PHDIDXHHSA-N 210.193 -1.261 0 1 BAAF O=c1ccn([C@@H]2S[C@H](CO)[C@H]2CO)c(=O)[nH]1 28570360 ATLLJJAWPPJCMR-ATRFCDNQSA-N 244.272 -1.249 0 1 BAAF O=c1[nH]c(=O)n(COC(CO)CO)cc1O 40917672 GFFYTOWXBWQWSV-UHFFFAOYSA-N 232.192 -2.431 0 1 BAAF CCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 1911586132 UWHVTISPDNDSFT-HOTMZDKISA-N 219.281 -1.408 0 1 BAAF C[C@H](O)C(NC(=O)[C@H](N)CCC(=O)O)=C(O)O 100386619 SPJIAAVLNNWCDD-CRCLSJGQSA-N 248.235 -1.039 0 1 BAAF endogenous,in-vitro CO[C@@H]1[C@@H](O)[C@H](O)[C@@H](OC)[C@H](O)[C@@H]1O 149573484 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O=C(O)[C@H]1[C@H](C(=O)O)[C@@H](C(=O)O)[C@H]1C(=O)O 102834336 CURBACXRQKTCKZ-JOOCEMHNSA-N 232.144 -1.197 0 1 BAAF CCO[C@@H]1O[C@@H]([C@@H](O)CO)[C@@H](O)[C@H]1O 105286452 RBAXYQNPTNUFEZ-YOWKYNACSA-N 208.210 -2.177 0 1 BAAF COCC(=O)NC[C@@H]1OC[C@@H](NC(C)C)[C@H]1O 2356656942 PKZISZBTDCDQRN-WCABBAIRSA-N 246.307 -1.125 0 1 BAAF NCC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 26839575 AVDOUEOFSCXBTB-NRMOLFOWSA-N 236.224 -4.139 0 1 BAAF C[C@H](O)C(=O)C1=N[c-]2c(nc(N)nc2=O)NC1 100205904 LTRXJLWJCGOCJC-VKHMYHEASA-N 236.211 -1.414 0 1 BAAF in-vitro OC[C@@H](O)[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 140292471 ODLCBLQABZKYGG-BNWJMWRWSA-N 210.182 -3.859 0 1 BAAF NC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@@H]1O 28087452 IRPKWPHSYPBPPI-LYFYHCNISA-N 245.210 -1.717 0 1 BAAF C[C@@H](O)[C@@H](N)C(=O)NC(CC(=O)O)=C(O)O 100388124 ALTFFCAKDVELOR-AWFVSMACSA-N 234.208 -1.430 0 1 BAAF endogenous,in-vitro CCCCN[C@@H]1[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]12 45320702 KNQLJVWKKYEBCU-PMXSCFQLSA-N 231.292 -1.144 0 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BAAF in-vitro O[C@H]1CN[C@@H](CNCn2ccnc2)[C@@H]1O 26501036 AXLGCGSOTAFBLX-CIUDSAMLSA-N 212.253 -1.876 0 1 BAAF O=P(O)(O)OC[C@@H](O)[C@H](O)[C@@H](O)NO 53684143 CSVKNYIFCYRDJM-FLRLBIABSA-N 233.113 -2.885 0 1 BAAF in-vivo N[C@]1(C[n+]2ccccc2)C[C@H](C(=O)O)NC1=O 141259180 JRFYJULGAGLHHN-KCJUWKMLSA-O 236.251 -1.355 0 1 BAAF investigational O=c1ccn(CO[C@@H](CO)[C@@H](O)CF)c(=O)[nH]1 27738108 BHKXUFLZFNSUBI-BQBZGAKWSA-N 248.210 -1.798 0 1 BAAF Cc1cn([C@@H]2CN[C@@H](CO)C2)c(=O)[nH]c1=O 29465252 NPLAPYDJFDUZFI-SFYZADRCSA-N 225.248 -1.260 0 1 BAAF CC1(C)OC[C@@H]([C@H]2OC(=O)C(=O)[C@H]2O)O1 169693493 YRIJMIJJXQAZJU-HBPOCXIASA-N 216.189 -1.007 0 1 BAAF C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 8602599 GGWZPCSVNVCONW-UKFBFLRUSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro O=C1NCC=CCN1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 1572884 HBBIVXDEBCKFIZ-BGZDPUMWSA-N 244.247 -1.993 0 1 BAAF O[C@H]1[C@@H]2CCO[C@@H]3OC[C@@](O)([C@@H]32)[C@@H]1O 33833500 QMQZZRSFTSGWJA-FJYMVOSHSA-N 202.206 -1.538 0 1 BAAF biogenic,in-vitro C[C@@H](N)C(=O)NC(CC(N)=O)=C(O)O 100385757 AEGPDFZHRATFGH-GSVOUGTGSA-N 203.198 -1.390 0 1 BAAF endogenous,in-vitro O=[N+]([O-])O[C@H]1C[C@@H](O[N+](=O)[O-])[C@@H](O)C[C@@H]1O 169298818 KYZQWVCQKNLHJE-OMMKOOBNSA-N 238.152 -1.344 0 1 BAAF CO[C@@H]1[C@H](O)[C@@H](OC)[C@H](O)[C@@H](O)[C@H]1O 238747747 MMCIFJWGSIWJLP-LHUYJCHPSA-N 208.210 -2.526 0 1 BAAF OC[C@H]1O[C@@H](c2ccc[nH]2)[C@H](O)[C@@H](O)[C@@H]1O 1772587110 PADPYMJQCPJDGX-SPFKKGSWSA-N 229.232 -1.470 0 1 BAAF O=C(O)C(=O)C[C@@H](O)[C@@H](O)CS(=O)(=O)O 2356342684 COLOZALSGXIPJV-WUJLRWPWSA-N 242.205 -2.360 0 1 BAAF OCOC1[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H]1O 2356442920 UPBTZFSUWBIION-SPRTWYNQSA-N 210.182 -3.861 0 1 BAAF CO[C@@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](O)[C@H]1OC 2356656807 YEGNNGDFCAGXPA-WIKBCIAESA-N 222.193 -1.821 0 1 BAAF COC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1 146115358 GBNSPDJKJDIAFT-UNGCPHIMSA-N 206.194 -2.233 0 1 BAAF NC(=O)C=C[C@H](O)CCC[C@@H](O)C=CC(N)=O 2356312955 NUZSIIZOZCJHKP-RKDXNWHRSA-N 242.275 -1.039 0 1 BAAF COC(=O)[C@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O 28005343 AQPAHBCOAMAPBN-JCGDXUMPSA-N 248.235 -2.173 0 1 BAAF O=c1ccoc(C2=C[C@H](O)[C@H](O)[C@@H](O)[C@H]2O)c1 205836411 XGESXBUIFZUBTP-ASXGKARISA-N 240.211 -1.520 0 1 BAAF NC(=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 12502517 UKWLGCFJAVEFPE-KGJVWPDLSA-N 207.182 -3.686 0 1 BAAF CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)N1C 70719769 UJIOKFUXCZFXKH-NGJRWZKOSA-N 204.226 -2.523 0 1 BAAF O=C(CF)N[C@H]1[C@H](O)[C@H](O)[C@@H](CO)O[C@H]1O 221552743 LMPCEKTVFVQIPT-HVLFGXPUSA-N 239.199 -3.128 0 1 BAAF Nc1ncnc2[nH]c([C@@H](O)[C@H](O)C(=O)O)nc12 586884795 ATTLNAWPJOSYBE-IMJSIDKUSA-N 239.191 -1.586 0 1 BAAF Cc1cn(C[C@]2(CO)C[C@@H]2CO)c(=O)[nH]c1=O 6523394 NTAWFMOXHYXRGL-KCJUWKMLSA-N 240.259 -1.164 0 1 BAAF COC(=O)CCCN1C(=O)N[C@H]2NC(=O)N[C@H]21 205376 QLUUXHHYAMBLSN-RQJHMYQMSA-N 242.235 -1.070 0 1 BAAF O=C(O)[C@H]1CN(Cc2nnn[nH]2)CCN1 27547955 XMKGSMFESCANHT-RXMQYKEDSA-N 212.213 -1.942 0 1 BAAF CN1CCN([C@@H]2[C@H]3OC[C@@H](O3)[C@H](N)[C@H]2O)CC1 2356535516 CBFYXAUILYZCGN-KJPMQGKISA-N 243.307 -1.954 0 1 BAAF NC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c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endogenous,in-vitro OC[C@H]1CN(CC2CCNCC2)C[C@@H](O)[C@@H]1O 142828185 RYBXNLJWPSALOR-IJLUTSLNSA-N 244.335 -1.368 0 1 BAAF COC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 261088846 DDVBSNPLHUUBOJ-BIVRFLNRSA-N 222.193 -2.998 0 1 BAAF CNC(=N)NCCC[C@H](N)P(=O)(O)O 25964725 SGRXBUFWCPMGAO-RXMQYKEDSA-N 224.201 -1.027 0 1 BAAF C[C@@H]1O[C@H](SCN)[C@@H](O)[C@@H](O)[C@@H]1O 26985961 ICTFAEXWYAJZLB-MLKOFDEISA-N 209.267 -1.537 0 1 BAAF COC(=O)CCC(=O)CNC(=O)CNC(C)=O 40940503 VJJDWZXSRCHTKL-UHFFFAOYSA-N 244.247 -1.239 0 1 BAAF CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O 98208622 GJUAFBSAJCBGRU-IHKZFYOVSA-N 224.209 -3.206 0 1 BAAF in-vitro O=c1ccn(/C=C/[C@@H](O)[C@H](O)CO)c(=O)[nH]1 5605193 BLUCVFFICDEGFV-IOMBPPLMSA-N 228.204 -2.279 0 1 BAAF CN(CC(=O)O)NC(=O)C[C@H](N)C[C@@H]1C[C@H]1N 58689813 DDFLHYUUUXHSII-BWZBUEFSSA-N 244.295 -1.511 0 1 BAAF O=C(O)CNC[C@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O 95619757 UKKRCTOBKMVJGX-GVYWOMJSSA-N 237.208 -3.538 0 1 BAAF endogenous,in-man O=c1[nH]c(=O)n([C@H]2O[C@@H]3CO[C@@H]2[C@@H]3O)cc1F 169290693 HDJXIAVWVQQMLN-UNGCPHIMSA-N 244.178 -1.667 0 1 BAAF O=C(O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 169343722 MTNHERCZHBRCJQ-TVIMKVIFSA-N 208.166 -3.087 0 1 BAAF COC(=O)[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26833795 DDVBSNPLHUUBOJ-ZYNSJIGGSA-N 222.193 -2.998 0 1 BAAF CC(=O)N[C@H]1[C@@H](CCO)O[C@H](CO)[C@@H](O)[C@@H]1O 28892014 DPBTVNMGDHHHBT-HOTMZDKISA-N 249.263 -2.645 0 1 BAAF O=P(O)(O)OC[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1F 27845008 JHQPJHSZTFXAMO-QTBDOELSSA-N 232.100 -1.488 0 1 BAAF CC(COS(N)(=O)=O)COS(N)(=O)=O 28336238 IUDLFTSIYDSEAU-UHFFFAOYSA-N 248.282 -1.937 0 1 BAAF COC[C@@H]1O[C@H](O)[C@@H](O)[C@H](OC)[C@H]1O 238740103 HXTJYTSBXOATMS-ZXVYDBTHSA-N 208.210 -1.913 0 1 BAAF NC(=O)[C@@H]1CCN(CCC[C@H](N)C(=O)O)NC1 2356538347 BJVRJQOYGCWXAR-SFYZADRCSA-N 244.295 -1.510 0 1 BAAF O=C1N[C@H](C[C@@H]2CN=CN2)C(=O)N2CCC[C@H]12 83923587 MFPVJZYQYCDQAD-IWSPIJDZSA-N 236.275 -1.134 0 1 BAAF in-vitro N[C@]12NC(=O)[C@@]3(O)[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@@H]43 195473660 VBEXUTHCHITDKA-WLCPIEFYSA-N 218.256 -1.110 0 1 BAAF C[C@H]1COC[C@]12O[C@H](O)[C@H](O)[C@H](O)[C@H]2O 238741099 QRKUPEZGRBMRGN-NVMJTSJSSA-N 220.221 -2.177 0 1 BAAF O=[N+]([O-])O[C@H]1C[C@H](O)[C@H](O[N+](=O)[O-])C[C@@H]1O 43073771 XGQLIAIBANXQEV-OMMKOOBNSA-N 238.152 -1.344 0 1 BAAF O=[N+]([O-])O[C@H]1CC[C@@H](O[N+](=O)[O-])[C@H](O)[C@@H]1O 49071586 UUWYEFLMUYTPBD-GUCUJZIJSA-N 238.152 -1.344 0 1 BAAF C[C@@H](O)C(NC(=O)[C@@H](N)CC(N)=O)=C(O)O 100386110 DYKOLPAMBLDKOY-DMTCNVIQSA-N 233.224 -2.029 0 1 BAAF endogenous,in-vitro OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)c2[nH]cc[n+]21 103543099 RZRDQZQPTISYKY-MVIOUDGNSA-O 201.202 -2.396 0 1 BAAF in-vitro OC[C@H]1[C@H](O)[C@@H](O)[C@@H](O)c2nccn21 1486227 RZRDQZQPTISYKY-VWDOSNQTSA-N 200.194 -1.815 0 1 BAAF COCCN[C@@H]1[C@H]2OC[C@@H](O2)[C@H](N)[C@@H]1O 2356839207 LRUVDKTXDFISJO-QVWMKHDWSA-N 218.253 -1.966 0 1 BAAF C[C@H](N)C(=O)N1CCC[C@H]1C(=O)OCC(=O)O 95561817 QSNJFJNXNZFJTO-BQBZGAKWSA-N 244.247 -1.048 0 1 BAAF C[C@H](O)[C@H](N)[C@@H]1O[C@H](C(=O)O)C[C@H](O)[C@@H]1N 584904803 PHEGZTCFZSDSNL-RWBPMGAUSA-N 234.252 -2.375 0 1 BAAF in-vitro O=C1O[C@H]2C[C@]3(C(=O)O)C[C@H](N[C@@H]1C3)[C@H]2O 1772602341 ZDDWVULVOBYEDE-YYTYEAKFSA-N 227.216 -1.132 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@@H](O)[C@H](O)NO 5829810 CSVKNYIFCYRDJM-NUNKFHFFSA-N 233.113 -2.885 0 1 BAAF in-vivo NNC(=S)N1CCN(C(=S)NN)CC1 5847456 GISXBSSCHFURCK-UHFFFAOYSA-N 234.354 -1.900 0 1 BAAF O=C1CCC(=O)N1CN1CCN(CCO)CC1 1772650346 CRTVDKSEVSMICR-UHFFFAOYSA-N 241.291 -1.297 0 1 BAAF N[C@H](CNC(=O)COP(=O)(O)O)C(=O)O 6292555 JSJJKZQTMZKNCS-GSVOUGTGSA-N 242.124 -2.376 0 1 BAAF biogenic NC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O 40801398 UKWLGCFJAVEFPE-URLGYRAOSA-N 207.182 -3.686 0 1 BAAF NC(=O)c1ncn2c(=O)n(CCO)nnc12 139954226 WLSVCXAMWIJUEU-UHFFFAOYSA-N 224.180 -2.623 0 1 BAAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@H](C)O 27992899 AQPAHBCOAMAPBN-VPLCAKHXSA-N 248.235 -2.173 0 1 BAAF N=C(N)NCCn1cnc2c(N)ncnc21 28007682 ADBSNZHFEPYKOR-UHFFFAOYSA-N 220.240 -1.108 0 1 BAAF CC1=N[C@@H]2[C@@H](O)[C@@H](O)[C@@H](CO)O[C@]2(CN)S1 29043323 UYTGIRHCGLWEML-QMGXLNLGSA-N 248.304 -1.712 0 1 BAAF CO[C@H]1NC[C@H](O)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O 84615075 YHIONQKFAQRBHP-JTPBWFLFSA-N 234.252 -2.851 0 1 BAAF O=C1N[C@H]2O[C@@H](CO)[C@@H](O)[C@H](O1)[C@@H]2O 195471830 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CC=CC1=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@@H]1O 2356788955 CSBVPLTZWBYCDB-RGOKHQFPSA-N 216.233 -1.691 0 1 BAAF NCCCC(=O)NCCNCC(=O)O 26152733 MVPBFQLWOJPDRK-UHFFFAOYSA-N 203.242 -1.484 0 1 BAAF N[C@H]1C[C@H](n2cc(F)c(=O)[nH]c2=O)O[C@@H]1CO 27989683 ZOVOMLAVOZMLDE-RRKCRQDMSA-N 245.210 -1.717 0 1 BAAF C[C@@H](O)[C@@H](N)C(=O)NC(=O)CC[C@H](N)C(=O)O 95617799 BTVBLYICTTUOEJ-JCGDXUMPSA-N 247.251 -2.471 0 1 BAAF in-man NCC(=O)NC=C1O[C@@H]2CC(=O)N2[C@H]1C(=O)O 2356804702 ZKEFDYULAFPJFJ-HTQZYQBOSA-N 241.203 -2.056 0 1 BAAF O=C(O)CC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 45390635 AWMRBVCTYUNPML-PCRKCNGPSA-N 222.193 -2.349 0 1 BAAF N[C@@H](C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O 98207761 XADNOHUHGUXHMN-VPLCAKHXSA-N 238.265 -1.954 0 1 BAAF in-vitro CN1[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1CO 100806183 CVSZHOAOIZMVHV-JZALKQRISA-N 207.226 -3.264 0 1 BAAF O=C(O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 40472191 MTNHERCZHBRCJQ-RUTHBDMASA-N 208.166 -3.087 0 1 BAAF CS[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)O[C@@H]1CO 53683967 UYUQSQYXZFSOEM-IBISWUOJSA-N 210.251 -1.851 0 1 BAAF in-vivo CC(=O)N[C@@H]1[C@@H](O)S[C@@H](CO)[C@@H](O)[C@H]1O 98207896 DYCCLPFFILCZGU-RLMOJYMMSA-N 237.277 -2.361 0 1 BAAF in-vitro O=c1ccn([C@H]2C[C@H](O)[C@@]3(O)C[C@H]23)c(=O)[nH]1 100895448 ZAGMCWYAGPLITN-NBBQQVJHSA-N 224.216 -1.407 0 1 BAAF C/C=C(\C)CO[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257534537 RQSHFEQQQBCYNX-CKRPQODMSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man OC[C@@H](O)[C@H](O)c1nc2c(O)ncnc2[nH]1 586888103 HMFOFMFALCNJCO-WUJLRWPWSA-N 226.192 -1.555 0 1 BAAF CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](OC)[C@@H]1O 2356381476 OETRAPPMILRBSS-HNEXDWKRSA-N 208.210 -1.913 0 1 BAAF CO[C@@H]1[C@H](O)O[C@H](C(=O)O)[C@@H](NC(C)=O)[C@H]1O 2356498848 KQFZJMGLVOZWKR-HRLNEBMISA-N 249.219 -2.331 0 1 BAAF CC(C)[C@H](O)[C@@]1(C(=O)O)NC(=O)[C@H](C)[C@H]1O 58638563 USVJHCXEVSVUEZ-JTGULSINSA-N 231.248 -1.047 0 1 BAAF in-vitro O=C(NC1CC1)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 169367072 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241.247 -1.225 0 3 BAAF C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O 26404572 DYPDKNUWDNOWPU-JWIUVKOKSA-N 241.247 -1.288 0 1 BAAF O=P(O)(O)C[C@H](O)Cn1cncn1 29465554 ZXKJPBBOMRHTCH-RXMQYKEDSA-N 207.126 -1.183 0 1 BAAF in-vitro O=P(O)(O)C[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 31870710 DFYLWBCXEJFDNK-KVTDHHQDSA-N 228.137 -2.354 0 1 BAAF C[C@H]1O[C@@H](n2cnc(C(=N)N)n2)[C@@H](O)[C@H]1O 40479457 WANUDLKWDMLBKQ-ORKRIWSOSA-N 227.224 -1.799 0 1 BAAF N[C@H](C[C@@H]1CC(=O)N1CC(=O)O)C(=O)O 45321069 KLXKWRLQSFCRQU-RFZPGFLSSA-N 216.193 -1.526 0 1 BAAF CO[C@@H]1O[C@H](COC(C)=O)[C@@H](O)[C@@H](O)[C@@H]1O 14590038 PBSHTCWJMNLCFN-GOFVFXDOSA-N 236.220 -1.997 0 1 BAAF O=P(O)(O)CC1=C[C@@H](O)[C@H](O)[C@H](CO)O1 29469381 QQNVEJIGXMEGCD-VQVTYTSYSA-N 240.148 -1.839 0 1 BAAF NC(=O)c1ncn2c(=O)n(C3CC3)nnc12 139926355 HTBDMOILTWGWNP-UHFFFAOYSA-N 220.192 -1.280 0 1 BAAF CC(=O)SCCNC(=O)CNC(=O)[C@@H](C)N 26750140 FLPLRTPCSJYVET-ZCFIWIBFSA-N 247.320 -1.154 0 1 BAAF COC(=O)[C@H]1C[S@@](=O)C[C@@H](C(=O)OC)N1 103000688 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1 BAAF C[C@H]1[C@H](O)[C@H](O)[C@@H]2C(C(=O)O)=COC[C@]12O 238744648 ZCPRKXVRISCLMR-HZHVFOLNSA-N 230.216 -1.296 0 1 BAAF O=C(O)[C@@H](O)[C@H](O)c1nc2ncc[nH]c-2n1 586888389 KEVOOHYZBVKOIP-IMJSIDKUSA-N 224.176 -1.217 0 1 BAAF O=C(O)C(=O)C[C@@H](O)[C@H](O)CS(=O)(=O)O 2356342681 COLOZALSGXIPJV-NQXXGFSBSA-N 242.205 -2.360 0 1 BAAF CC(=O)[C@H](O)[C@H](O)C(=O)COP(=O)(O)O 104880413 XBUYIELOLLPBOC-NTSWFWBYSA-N 242.120 -2.024 0 1 BAAF endogenous,in-vitro CO[C@@H]1[C@@H](C(C)=O)O[C@H](O)[C@H](O)[C@@H]1O 238772541 SRVBWXXWKIWLAJ-SHGPDSBTSA-N 206.194 -1.971 0 1 BAAF N[C@H](C(=O)O)[C@@H](O)OP(=O)(O)O 12503936 JVLKWZAWYDOHCD-GPKNORDASA-N 201.071 -2.174 0 1 BAAF in-vivo O=C1CCN([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(=O)N1 48998209 ZPTBLXKRQACLCR-JBBNEOJLSA-N 246.219 -2.633 0 1 BAAF OCCN1C[C@H](O)[C@@](O)(CCO)[C@H](O)C1 299839492 YIONLGSITYNFFU-AYMMMOKOSA-N 221.253 -2.870 0 1 BAAF CCCCOC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O 2356681301 PKFXOEDXEGFAPK-JLIMGVALSA-N 236.264 -1.395 0 1 BAAF O[C@H]1COCO[C@@H]1[C@H](O)[C@H]1OCOC[C@H]1O 263591447 PAWRQYAKFMEQEL-BGKGJTHRSA-N 236.220 -2.185 0 3 BAAF O=C1O[C@H](COS(=O)(=O)O)[C@@H](O)[C@H]1O 27762221 MEAWJAUZKBOUHK-BXXZVTAOSA-N 228.178 -2.547 0 1 BAAF O=c1nc(O)cnn1[C@@H]1O[C@H](O)[C@@H](O)C[C@H]1O 504433700 FOQXRBMDKGMLOC-LCZOEFHHSA-N 245.191 -2.697 0 1 BAAF biogenic O=C1NCC=CCN1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 5133339 HBBIVXDEBCKFIZ-FNCVBFRFSA-N 244.247 -1.993 0 1 BAAF O=C1[C@@H](O)[C@H](O)[C@H](O)CN1CCCCCCO 40834031 CYBLNFUNMQDVCN-BBBLOLIVSA-N 247.291 -1.536 0 1 BAAF CC(=O)O[C@H]1[C@H](O)O[C@@H](C)[C@H](O)[C@H]1O 64633767 JAMRSAWASNAFCK-IMSDGWMTSA-N 206.194 -1.623 0 1 BAAF in-vitro O=C(O)[C@]1(O)C=C(CO)[C@@H](O)[C@H](O)C1 98208479 QZOLOUIVSUKSKM-JKMUOGBPSA-N 204.178 -2.154 0 1 BAAF in-vitro NCC(=O)NC=C1O[C@@H]2CC(=O)N2[C@@H]1C(=O)O 2356804704 ZKEFDYULAFPJFJ-SFYZADRCSA-N 241.203 -2.056 0 1 BAAF O=P(O)(O)CC1=C[C@H](O)[C@H](O)[C@H](CO)O1 29469387 QQNVEJIGXMEGCD-ACZMJKKPSA-N 240.148 -1.839 0 1 BAAF NCCCC[C@@H](N)C(=O)NC(CO)=C(O)O 100387500 CYXGAENENUQKFB-ZCFIWIBFSA-N 233.268 -1.164 0 1 BAAF endogenous,in-vitro N[C@@H](C[C@@]1(C(=O)O)C[C@@H]1C(=O)O)C(=O)O 653720225 BHSHZTNHTMTQFY-ZPLJKJSBSA-N 217.177 -1.036 0 1 BAAF C[C@H](O)[C@@H]1C=C([C@@H](O)[C@@H](C)O)C(=O)O1 2356716879 ARUCEWIJCNEASJ-JJJMYNALSA-N 202.206 -1.039 0 1 BAAF N[C@H](C(=O)O)[C@H](O)OP(=O)(O)O 12503938 JVLKWZAWYDOHCD-NPKIIWCNSA-N 201.071 -2.174 0 1 BAAF in-vivo O=C1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCO 40949901 CYBLNFUNMQDVCN-AEJSXWLSSA-N 247.291 -1.536 0 1 BAAF Nc1ccn([C@H]2C[C@@H](CO)[C@@H](CO)O2)c(=O)n1 13519072 WZGBNAXNHRMYLG-LKEWCRSYSA-N 241.247 -1.286 0 1 BAAF CC(=O)N[C@H]1CN[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 96903778 BYZRWXDITGCYRJ-XDQCBXAXSA-N 234.252 -3.462 0 1 BAAF CC(=O)CO[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356378127 XFKHICCLLWQWBT-DMAGGPPCSA-N 236.220 -2.608 0 1 BAAF C[C@@H](O)C(NC(=O)[C@@H](N)CO)=C(O)O 100388049 SUMUCFYAYPAHLN-DMTCNVIQSA-N 206.198 -1.912 0 1 BAAF endogenous,in-vitro CO[C@@H]1[C@H](O)O[C@H](CO)[C@H](OC)[C@H]1O 2356495060 CPBPDKOWJAQGDT-QQGCVABSSA-N 208.210 -1.913 0 1 BAAF Nc1nc2c(CNCCO)c[nH]c2c(=O)[nH]1 96316659 HHMFGFHDXNNTCK-UHFFFAOYSA-N 223.236 -1.085 0 1 BAAF O=c1ccn([C@H]2C[C@@H](O)[C@@H](CO)[C@@H]2F)c(=O)[nH]1 169313341 IQKMEEPQIAMEIR-AYHNYZOXSA-N 244.222 -1.211 0 1 BAAF O=C(O)[C@H](O)CCN[C@H](CCO)C(=O)O 13374815 YVTYLIZWVFUUMH-PHDIDXHHSA-N 221.209 -1.753 0 1 BAAF endogenous,in-man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c1ccncn1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16920012 KOCMVSNGUFLMHS-ZLNHGNLKSA-N 228.204 -2.145 0 1 BAAF N[C@@H](Cc1cn(C(O)(CO)CO)cn1)C(=O)O 58632754 ZPTMCRRAIQUWQU-ZETCQYMHSA-N 245.235 -2.533 0 1 BAAF in-vitro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in-vitro O=C(O)[C@@H]1CS[C@H](CS(=O)(=O)O)N1 32304030 HYGZRLVEUKTESI-IUYQGCFVSA-N 227.263 -1.010 0 1 BAAF in-vitro Nc1ncnc2c1ncn2C[C@H](O)[C@@H](O)CO 34819336 QKCTULZIZBZRBQ-WDSKDSINSA-N 239.235 -1.877 0 1 BAAF CNC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253669580 GLOZHHWMZYAHBQ-IECVIRLLSA-N 221.209 -3.425 0 1 BAAF CO[C@@H]1[C@H](COP(=O)(O)O)O[C@H](O)[C@H]1O 253803487 DBOUVRQJDFHHAV-AZGQCCRYSA-N 244.136 -1.811 0 1 BAAF Nc1nccc2nc([C@@H](O)[C@@H](O)CO)[nH]c12 586888734 JHIYNTVFDLXKDL-FSPLSTOPSA-N 224.220 -1.073 0 1 BAAF O=Cc1cn([C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c(O)n1 2356527046 UMTHIZRIDGLMBU-VGRMVHKJSA-N 244.203 -1.987 0 1 BAAF O=c1[nH]c(=O)n(C[C@@]2(CO)C[C@@H]2CO)cc1F 3653583 PVTYLJZBDSNRDG-LHLIQPBNSA-N 244.222 -1.333 0 1 BAAF O=c1ccn([C@@H]2C[C@H](O)CC[C@H]2O)c(=O)[nH]1 38674267 FDNMNNPHESPSEV-BWZBUEFSSA-N 226.232 -1.017 0 1 BAAF COC(=O)[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40698549 DDVBSNPLHUUBOJ-FHKSGDNWSA-N 222.193 -2.998 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](n2ccnc2)[C@@H]1O 2356313639 PDGMQLZCVRCODU-OKNNCHMLSA-N 211.221 -1.133 0 1 BAAF O=C(O)[C@H](O)C[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O 2356458526 PDNRSANBMBLRMH-JAIWFUSLSA-N 222.193 -2.697 0 1 BAAF CO[C@H]1O[C@@H](CO)[C@H](O)[C@H](OC)[C@H]1O 85426868 OETRAPPMILRBSS-RLMOJYMMSA-N 208.210 -1.913 0 1 BAAF CO[C@H]1[C@@H](O)[C@@H](NC(C)=O)[C@@H](C(=O)O)O[C@H]1O 2356498849 KQFZJMGLVOZWKR-LFRCOYDSSA-N 249.219 -2.331 0 1 BAAF O=c1ncc(F)cn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 5648341 BISROEGZKWHITE-YWIQKCBGSA-N 246.194 -2.006 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2CO[C@@H](CO)O2)cc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endogenous,in-man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c1cn([C@H]2CN[C@H](CO)C2)c(=O)[nH]c1=O 29465257 NPLAPYDJFDUZFI-JGVFFNPUSA-N 225.248 -1.260 0 1 BAAF O=c1ccn([C@H]2C[C@H](O)[C@@H](CO)C2)c(=O)[nH]1 17060084 JIFXFEDXEKJYAE-PRJMDXOYSA-N 226.232 -1.159 0 1 BAAF OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@@H]1N1CCCC1 1772626886 RSZNDZIEBMZFLI-SVSWQMSJSA-N 217.265 -1.844 0 1 BAAF CCOC[C@]1(O)OC[C@H](O)[C@@H](O)[C@H]1O 2356539734 ZAAXPJUGNJCUHG-OSMVPFSASA-N 208.210 -2.176 0 1 BAAF O=C(O)C1=C[C@@H](O)[C@H](OS(=O)(=O)O)CO1 6293275 SLBOXLMLDIGNGG-NQXXGFSBSA-N 240.189 -1.466 0 1 BAAF in-vivo COc1c(C)c(=O)[nH]c(=O)n1COCCO 6520127 ZGCYJTDWRJBEGZ-UHFFFAOYSA-N 230.220 -1.180 0 1 BAAF OC[C@H](O)[C@H](O)C(O)[C@@H](O)[C@H](O)CO 13298400 OXQKEKGBFMQTML-QDLFHSFASA-N 212.198 -4.225 0 1 BAAF endogenous,in-man O=P(O)(O)OC[C@@H]1O[C@@H](O)[C@@H](F)[C@@H]1O 27766739 NOTDWSJIOCLYHZ-QMKXCQHVSA-N 232.100 -1.488 0 1 BAAF OC[C@H]1O[C@H](n2ccnn2)[C@H](O)[C@@H](O)[C@H]1O 53244025 KSCJUOAWXPNFKK-HNEXDWKRSA-N 231.208 -2.750 0 1 BAAF O=[P@@]1(O)O[C@@H]2[C@@H](CO)O[C@H](O1)[C@@H]2O 95635706 ONTWKCPWRKFYOT-TXICZTDVSA-N 212.094 -1.420 0 1 BAAF in-vitro NC(=O)[C@@H]1CC[C@@H]2CN1C(=O)N2S(=O)(=O)O 116854714 DGURFSWVVOEDOQ-UHNVWZDZSA-N 249.248 -1.457 0 1 BAAF C/C=C(\C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14590686 RQSHFEQQQBCYNX-RHUHORDTSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man O=C(NCCO)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)CO 17147663 DTMUKVUZNZJFNO-ZTYPAOSTSA-N 239.224 -4.469 0 1 BAAF endogenous,in-man O=C(O)[C@H](O)[C@H](O)[C@@H](O)C(O)=C(O)O 100389645 RRHDUJVJAWUZCW-ADNNCPOWSA-N 210.138 -2.003 0 1 BAAF endogenous,in-vitro COC(=O)[C@@H]1CO[C@H](O)[C@@H]2[C@@H]1[C@H](O)C[C@@]2(C)O 2356520459 NLKBOVSOZQNIHR-QMWNWAEVSA-N 246.259 -1.128 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@H](N2CCC[C@H]2CO)[C@@H]1O 2356693690 NMTUCAAUKBQRDV-KEWAQLPFSA-N 244.291 -1.745 0 1 BAAF O=P(O)(O)N(CCO)C[C@@H](O)CO 12493453 FRMZOWIQVCBEAC-RXMQYKEDSA-N 215.142 -2.273 0 1 BAAF endogenous,in-man O=c1[nH]c(=O)n(C[C@]2(CO)C[C@@H]2CO)cc1F 26717522 PVTYLJZBDSNRDG-LDWIPMOCSA-N 244.222 -1.333 0 1 BAAF O=P(O)(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@@H]1F 27845002 JHQPJHSZTFXAMO-SKNVOMKLSA-N 232.100 -1.488 0 1 BAAF CCCCN1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@H]1CO 40938838 JNYIOZRCMYRRED-KBDSZGMXSA-N 235.280 -2.136 0 1 BAAF in-vivo Cc1cnc([C@@H](O)[C@@H](O)[C@@H](O)CO)cn1 14638255 ZHCOCLGEHTXBQU-YIZRAAEISA-N 214.221 -1.467 0 1 BAAF biogenic,in-vitro NCCNC(=O)C[C@](O)(CC(=O)O)C(=O)O 64744242 KQWWDTIPDRWKGZ-QMMMGPOBSA-N 234.208 -2.258 0 1 BAAF in-vitro O=C(O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 169343725 MTNHERCZHBRCJQ-RDQKPOQOSA-N 208.166 -3.087 0 1 BAAF O=c1[nH]cnc2c1ncn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endogenous,in-vitro NC(=O)c1ncn([C@@H]2C=C(CO)[C@@H](O)[C@H]2O)n1 28569472 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241.251 -1.700 0 1 BAAF Cc1nn(COC(CO)CO)c(=O)[nH]c1=O 34463101 BRJFBLIIHDTJJQ-UHFFFAOYSA-N 231.208 -2.433 0 1 BAAF O=c1[nH]c2cc3no[n+]([O-])c3cc2[nH]c1=O 23110 GBLOKWQVACPFGV-UHFFFAOYSA-N 220.144 -1.009 0 1 BAAF in-vitro O=c1ccn([C@H]2C[C@H](NO)[C@@H](CO)O2)c(=O)[nH]1 27557681 QXZIZKYHYOXXCF-SHYZEUOFSA-N 243.219 -1.836 0 1 BAAF CCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 40567360 PNQDGCOQVLHKHH-KVEIKIFDSA-N 206.238 -1.371 0 1 BAAF Cc1cn(C[C@@]2(CO)C[C@@H]2CO)c(=O)[nH]c1=O 6523399 NTAWFMOXHYXRGL-LDYMZIIASA-N 240.259 -1.164 0 1 BAAF CO[C@@H]1O[C@@H](CO)[C@@H](N(C)C(C)=O)[C@@H]1O 14962166 IYHNPXMPHOUJTN-UYXSQOIJSA-N 219.237 -1.442 0 1 BAAF N[C@@H](CCC(=O)NC(=O)[C@H]1CCCN1)C(=O)O 95617783 FSGFZJVYAZKWHO-NKWVEPMBSA-N 243.263 -1.427 0 1 BAAF endogenous,in-man CCCC(=O)N[C@@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 169330484 XEKOSXBLKIWWQO-IWSQBXEPSA-N 233.264 -1.881 0 1 BAAF NC[C@@]1(O)C[C@@](O)(C(=O)O)C[C@@H](O)[C@@H]1O 263620561 INSJTZQVOJUBQR-ROHCDXGRSA-N 221.209 -2.993 0 1 BAAF in-vitro C[C@@H](O)[C@@H](O)[C@@H]1CNc2c([nH]c(N)nc2=O)N1 5115963 UUJCZDAMSPXYEU-ALEPSDHESA-N 241.251 -1.700 0 1 BAAF NC(=O)C[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29330824 LIAOMNGNFIFMCN-REZBTTBJSA-N 221.209 -3.296 0 1 BAAF CC[C@H](CO)NC[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 6412510 QCLXOECYCFFJAW-VVULQXIFSA-N 235.280 -2.172 0 1 BAAF CN(C)c1c([C@@H]2C[C@H](O)[C@@H](CO)O2)c(=O)c1=O 31897321 LMWTXQXIXVGRBA-LYFYHCNISA-N 241.243 -1.468 0 1 BAAF Cc1cn(CC2=NC[C@H](O)CN2)c(=O)[nH]c1=O 1654992 HKJAQPPELXSDFI-UHFFFAOYSA-N 238.247 -1.792 0 1 BAAF Nc1ccn([C@H]2[C@@H](CO)[C@@H](CO)[C@H]2F)c(=O)n1 28227536 VIAQJAQCFSZFKE-BUVSBJAHSA-N 243.238 -1.065 0 1 BAAF O=C(NC1CC1)[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 29234316 ZFCPMBQNQOPXLN-QKAWAISNSA-N 247.247 -2.893 0 1 BAAF O=P(O)(O)O[C@H]1O[C@H](CF)[C@@H](O)[C@H]1O 83920975 LUQFMENCTWEBSQ-TXICZTDVSA-N 232.100 -1.488 0 1 BAAF in-vitro OC[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O)c2nccn21 149014909 RZRDQZQPTISYKY-DBRKOABJSA-N 200.194 -1.815 0 1 BAAF 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O=C(O)[C@@H](O)[C@H](O)c1nc2c(O)ncnc2[nH]1 586885160 BPUKRPLIHYDOES-IMJSIDKUSA-N 240.175 -1.463 0 1 BAAF C[C@H](O)C(NN)=C(O)OC[C@@H](N)C(=O)O 2356811964 BHCCFXCPPXPVOJ-IUYQGCFVSA-N 221.213 -2.014 0 1 BAAF Nc1ccn([C@@H]2CO[C@@H](CO)[C@@H](O)C2)c(=O)n1 26159369 NDVIZLWDQQFOBJ-FXQIFTODSA-N 241.247 -1.491 0 1 BAAF N=C(NCCC[C@H](N)C(=O)O)NCCC(N)=O 40874173 SWAGCOCCOSAPDI-LURJTMIESA-N 245.283 -1.832 0 1 BAAF O=C(O)C[C@@H]1OC(=O)[C@H](CC(=O)O)OC1=O 238739870 LWXITGFSKAEHEM-IMJSIDKUSA-N 232.144 -1.227 0 1 BAAF Cc1c(C(N)=O)ncn1[C@@H]1C[C@H](O)[C@@H](CO)O1 27881019 WUJZKGAMNLOWGI-RNJXMRFFSA-N 241.247 -1.069 0 1 BAAF C[C@@H]1[C@H](O)CO[C@]1(CO)CC(=O)CO 2356729043 BOAJKHZUYIAJMM-VDAHYXPESA-N 204.222 -1.304 0 1 BAAF O=c1ccn([C@H]2C[C@H](O)[C@H](CO)S2)c(=O)[nH]1 26401385 DDRFKXKKBYNNSO-VMHSAVOQSA-N 244.272 -1.106 0 1 BAAF NCC[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26831652 BNFUZESWWRCHFC-RLMOJYMMSA-N 207.226 -2.822 0 1 BAAF NCC[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 40651064 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C[C@@H]1O[C@H](n2cnc(C(N)=O)n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c1c(CC(O)(CO)CO)n(C)c(=O)[nH]c1=O 34083227 YUMMRKMOBVGSFA-UHFFFAOYSA-N 244.247 -2.360 0 1 BAAF CC(C)=CCO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14590698 GQJQCKUJCHMTNF-UNQZSWDGSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man C[C@H](O)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356587879 AJLVEHFNMNRXNI-XMUCANLBSA-N 238.236 -2.816 0 1 BAAF CN1[C@@H]2[C@@H](O)C[C@@]1(O)[C@@H](O)[C@@H](O)[C@@H]2O 12153498 XTMAEPUCHRMBTC-DTULTOMQSA-N 205.210 -3.164 0 1 BAAF endogenous,in-man NC(=O)CN1C[C@H](NC(=O)[C@H]2CCCN2)C1=O 26578040 FOGDQKPONMFCAO-RQJHMYQMSA-N 240.263 -2.449 0 1 BAAF CO[C@@H]1C[C@@H](n2ccc(=O)[nH]c2=O)O[C@H]1CO 32068112 MJLFWMACMGAXSW-FJXKBIBVSA-N 242.231 -1.169 0 1 BAAF C[C@H](O)[C@@H](N)C(=O)N[C@@H](CCCCN)C(=O)O 50027631 YKRQRPFODDJQTC-BIIVOSGPSA-N 247.295 -1.607 0 1 BAAF endogenous,in-man Nc1ncnc2c1ncn2[C@H]1CN[C@H](CO)O1 26668556 MBVIOAMRQRQQCJ-NTSWFWBYSA-N 236.235 -1.155 0 1 BAAF Nc1cc2nc([C@H](O)[C@H](O)C(=O)O)[nH]c2cn1 586891954 RNNODRTVQSALFH-RQJHMYQMSA-N 238.203 -0.981 0 1 BAAF NC[C@H]1O[C@H](n2ccc(=O)[nH]c2=O)C[C@H]1O 27717940 ABYZQSMQSHNEMQ-JKMUOGBPSA-N 227.220 -1.856 0 1 BAAF OC[C@H]1O[C@@H](n2cnnn2)[C@H](O)[C@@H]1O 32092101 YLTNTJMJKHROKL-KVTDHHQDSA-N 202.170 -2.715 0 1 BAAF O=C(O)[C@@H](F)[C@H](O)[C@@H](O)COP(=O)(O)O 40720317 OTIZHBJZRILQCX-YVZJFKFKSA-N 248.099 -1.760 0 1 BAAF C[C@@H](O)[C@H]1O[C@H](C(=O)O)C[C@@H](O)[C@H]1O 72121391 SKRSIKNIBKXYLK-XUUWZHRGSA-N 206.194 -1.669 0 1 BAAF OC[C@@H]1[C@H]2O[C@@H]3OC[C@@H]4[C@H](O)[C@@H](O2)[C@@]1(O)[C@@H]34 2356414388 JSTQABBESURXTN-SWSYBTLFSA-N 230.216 -1.956 0 1 BAAF OC[C@@H]1O[C@H](n2cnnc2O)[C@@H](O)[C@H]1O 2356672816 ZAVXIBWBPKHKGY-BXKVDMCESA-N 217.181 -2.405 0 1 BAAF C[C@@H](O)[C@H](N)C(=O)NC(CO)=C(O)O 100388354 XEEKMPKCVYYSHL-WUJLRWPWSA-N 206.198 -1.912 0 1 BAAF endogenous,in-vitro Nc1ccn([C@H]2C=C(CO)[C@H](O)[C@@H]2O)c(=O)c1 5884311 YCRKYJVJMABCKH-INTQDDNPSA-N 238.243 -1.374 0 1 BAAF O=C1C[C@@H](NC(=O)OC[C@@H]2CCCN2)C(=O)N1 1857544380 BROVZDKFOULGAP-NKWVEPMBSA-N 241.247 -1.120 0 1 BAAF N[C@@H](CC(C=C=O)=C[C@@H](O)C(=O)O)C(=O)O 2356700640 DDPFUGIRVJYBMN-NKWVEPMBSA-N 229.188 -1.452 0 1 BAAF O[C@@H]1[C@H](O)O[C@@H](C(F)F)[C@@H](O)[C@H]1O 169323488 CSWKRWZKIUAKKR-SKNVKGJNSA-N 200.137 -1.949 0 1 BAAF NC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 253633961 LIAOMNGNFIFMCN-VGHCIRABSA-N 221.209 -3.296 0 1 BAAF O=C1CC[C@]2(CO)[C@@H](O)[C@H](O)[C@@H](O)CN12 473128190 YZZBTVIUKPMJNE-VHKYIWFCSA-N 217.221 -2.564 0 1 BAAF OC[C@@H]1[C@@H](O)[C@H](O)CCN1CC1CCNCC1 473180528 YODJAHWTYVNDKE-IJLUTSLNSA-N 244.335 -1.226 0 1 BAAF OC[C@@H](O)[C@@H](O)c1nc2ncc[nH]c-2n1 586892770 VZSGUKIFBJKHEH-RFZPGFLSSA-N 210.193 -1.309 0 1 BAAF CCCCO[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O 1772580985 ZKXFUHGBZUNODP-PXSBVEPCSA-N 236.264 -2.010 0 1 BAAF CN1CCN([C@@H]2[C@H](CN)O[C@H](CO)[C@H]2O)CC1 2356292081 JCTABYWKEGVLOS-LNFKQOIKSA-N 245.323 -2.318 0 1 BAAF COC(=O)[C@H]1C(=CCO)O[C@H]2CC(=O)N21 2356779984 HTABQNQMGKGBDT-JGVFFNPUSA-N 213.189 -1.007 0 1 BAAF C[C@@H]1COC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O1 2356543010 JDTMOBCXZZCLPF-JPFOUYRMSA-N 220.221 -1.771 0 1 BAAF O=c1ncc(F)cn1[C@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17122191 BISROEGZKWHITE-NGJRWZKOSA-N 246.194 -2.006 0 1 BAAF N=CN[C@H](CCCNC(=N)N)C(=O)O 69488475 UDAPEAONIACLOS-RXMQYKEDSA-N 201.230 -1.100 0 1 BAAF endogenous,in-vitro C[C@@H](O)C(NC(=O)[C@H](N)CCC(N)=O)=C(O)O 100386496 UHZSXKAMNOJXJO-RFZPGFLSSA-N 247.251 -1.639 0 1 BAAF endogenous,in-vitro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c1nc2c(=O)n(C)c(=O)[nH]c2n(C)c1=O 14682546 IXYZLGGRIMDLDI-UHFFFAOYSA-N 222.204 -1.371 0 1 BAAF NCc1cn(C[C@@H]2NC[C@@H](O)[C@H]2O)nn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c2ccccc2)N=C1N 102959273 CSAKAPYQGJKLFJ-SSDOTTSWSA-N 246.226 -1.024 0 1 BAAF NC(=O)C1=CCN(CCC[C@@H](N)C(=O)O)N=C1 2356812281 BSWKDADDQZKAFO-MRVPVSSYSA-N 240.263 -1.108 0 1 BAAF O=[P@]1(O)O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O1 5411416 PUJJEEQZLDDQPG-VFUOTHLCSA-N 242.120 -2.059 0 1 BAAF in-vitro Nc1nnc(S(=O)(=O)N[N+](=O)[O-])s1 653905253 VPRNNUDKTJTURF-UHFFFAOYSA-N 225.211 -1.410 0 1 BAAF C[C@@H]1[C@H](O)[C@@H](O)[C@@H]2[C@H](O)[C@H](O)[C@@H](CO)N12 1857542264 TXKSAMJHOAHOGY-JVENVTDCSA-N 219.237 -3.123 0 1 BAAF O=c1ccoc(C2=C[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O)c1 2356593113 XGESXBUIFZUBTP-VFRUTBLMSA-N 240.211 -1.520 0 1 BAAF Nc1ccn([C@@H]2CO[C@H](CO)[C@H]2CO)c(=O)n1 3784792 PTSPCGJNQXZZTB-XLPZGREQSA-N 241.247 -1.634 0 1 BAAF Cc1cn([C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)c[n+]1[O-] 3785888 PAVQITQTHGMQOW-QXFUBDJGSA-N 242.231 -1.569 0 1 BAAF CN1C(=O)C(=CNC(N)=O)C(=O)N(C)C1=O 6664828 ULRVBWPHTDAXEB-UHFFFAOYSA-N 226.192 -1.411 0 1 BAAF N=C(N)NCCC[C@@H](NC(=O)C(=O)O)C(=O)O 14855858 INOVTBRJCBIPOS-SCSAIBSYSA-N 246.223 -2.096 0 1 BAAF endogenous,in-man O=c1ncc(F)cn1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 49017084 BISROEGZKWHITE-XUTVFYLZSA-N 246.194 -2.006 0 1 BAAF CS(=O)(=O)N1N=Cc2ccccc2B1O 195047969 DWJDZDNSIRUJQY-UHFFFAOYSA-N 224.050 -1.017 0 1 BAAF C[C@@H]1O[C@H]([n+]2cccc(C(N)=O)c2)[C@@H](O)[C@@H]1O 263637842 PXAPCLAMQZSOQJ-HLFIEIIFSA-O 239.251 -1.288 0 1 BAAF CN(C)CCNC[C@@H](N)P(=O)(O)O 653866669 ARYLOGLNSUZRSA-LURJTMIESA-N 211.202 -1.400 0 1 BAAF CCCCOC[C@]1(O)O[C@H](CO)[C@H](O)[C@H]1O 2356338320 TYPBFZLMLATYGX-RGOKHQFPSA-N 236.264 -1.395 0 1 BAAF O=C(CF)N[C@@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O 5085910 LMPCEKTVFVQIPT-BOSCHMPASA-N 239.199 -3.128 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)C[C@@H]1C(=O)N1CCNCC1 26994566 UQLAZUTVXXHDKL-QEYWKRMJSA-N 242.323 -2.156 0 1 BAAF COC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)[C@@H](C)O 27992893 AQPAHBCOAMAPBN-ZDLURKLDSA-N 248.235 -2.173 0 1 BAAF Nc1nc2c(ncn2C[C@@H](N)C(=O)O)c(=O)[nH]1 58631587 BYXRWAYRLQEIRT-GSVOUGTGSA-N 238.207 -1.886 0 1 BAAF in-vitro C[C@@H]1N=C2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]2S1 70719776 PFWKBORYMJDXKT-YGEQAMFCSA-N 219.262 -1.041 0 1 BAAF C[C@H]1O[C@]23N[C@H](CNC2=NC(N)=NC3=O)[C@H]1O 100770563 JZTDUNXDDUJXRZ-NUELXLSOSA-N 239.235 -2.723 0 1 BAAF endogenous,in-man O=c1ccn([C@H]2C[C@@H](CO)[C@@H](O)[C@@H]2O)c(=O)[nH]1 17060087 XCUVKEVNSATDTD-HMJBSVBGSA-N 242.231 -2.188 0 1 BAAF Cc1nn(C[C@H]2CO[C@@H](CO)O2)c(=O)[nH]c1=O 26268289 YTLHYIOPLMFVGG-NKWVEPMBSA-N 243.219 -2.026 0 1 BAAF COC[C@@H](O)[C@@H](O)[C@H](OC)[C@H](CO)OC 140829487 CHWRLBUTXCTNFG-BZNPZCIMSA-N 224.253 -1.623 0 1 BAAF COC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O 253635253 DDVBSNPLHUUBOJ-IECVIRLLSA-N 222.193 -2.998 0 1 BAAF COC[C@H]1O[C@@H](OC)[C@@H](O)[C@H](O)[C@H]1O 2356637046 FJFRHMFVCLTWOW-RZUNNTJFSA-N 208.210 -1.913 0 1 BAAF N[C@@]12NC(=O)[C@@]3(O)[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169303584 VBEXUTHCHITDKA-QYQKHMLQSA-N 218.256 -1.110 0 1 BAAF CO[C@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@@H]1O 169310947 NKMDRVXLXWIKTM-ZXXMMSQZSA-N 244.136 -1.811 0 1 BAAF C[C@@H](Nc1nnc2nncn2n1)C(=O)O 653821677 NVZPADGRXIORNM-GSVOUGTGSA-N 209.169 -1.201 0 1 BAAF COC[C@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@H]1OC 2356431405 PCFSZBHNMOUVLB-IMFYSGRJSA-N 208.210 -1.913 0 1 BAAF OC[C@]1(O)[C@H](O)[C@H](O)[C@@H]2CCO[C@@H](O)[C@H]21 2356488271 GVPJIARKBVSQGO-GWKQWKOUSA-N 220.221 -2.584 0 1 BAAF CO[C@H]1O[C@H](COC(C)=O)[C@H](O)[C@@H](O)[C@@H]1O 2356684258 PBSHTCWJMNLCFN-DMAGGPPCSA-N 236.220 -1.997 0 1 BAAF OC[C@H]1O[C@@H](n2ccnn2)[C@H](O)[C@@H](O)[C@@H]1O 34960743 KSCJUOAWXPNFKK-JAJWTYFOSA-N 231.208 -2.750 0 1 BAAF C[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)O 39796875 YYSWCHMLFJLLBJ-ZLUOBGJFSA-N 247.251 -2.600 0 1 BAAF in-vitro NCc1cn([C@@H]2CN[C@H](C(=O)O)C2)nn1 98209525 JFEVBUPMGGCXQM-BQBZGAKWSA-N 211.225 -1.276 0 1 BAAF in-vitro N[C@H](C(=O)O)[C@@H]1[C@@H](C(=O)O)[C@@H]1CC(=O)O 27523434 PQFJICGWSAKMIG-JSTMLOLSSA-N 217.177 -1.180 0 1 BAAF OCC(CO)O[C@@H]1OC[C@H](O)[C@@H](O)[C@H]1O 2356540218 QPMTZAPCDCFOEZ-OSMVPFSASA-N 224.209 -3.205 0 1 BAAF C[C@@H](O)[C@H](O)[C@@H](O)COP(=O)(O)O 6494205 YPXGTKHZRCDZTL-WISUUJSJSA-N 216.126 -1.802 0 1 BAAF in-vitro C/C=C/[C@H](O)[C@H](O)/C=C/C(=O)OC[C@H](O)CO 13336196 ZNTNUBKHLXBEIN-WSRNSDSCSA-N 246.259 -1.263 0 1 BAAF in-vitro N[C@@H](C[C@@H]1CC(=O)N1CC(=O)O)C(=O)O 45321061 KLXKWRLQSFCRQU-UHNVWZDZSA-N 216.193 -1.526 0 1 BAAF CO[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H]2NC(=O)C(=O)N21 2356635363 YINZYTTZHLPWBO-IMVJXDEOSA-N 232.192 -3.660 0 1 BAAF C[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)O 1577103 GGWZPCSVNVCONW-DVKNGEFBSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro C[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O 16891554 GGWZPCSVNVCONW-AIECOIEWSA-N 210.182 -3.105 0 1 BAAF endogenous,in-vitro O=c1ccn(/C=C/[C@@H](O)[C@@H](O)CO)c(=O)[nH]1 5605194 BLUCVFFICDEGFV-XANLBQBGSA-N 228.204 -2.279 0 1 BAAF CN1CN([C@@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O 13458945 RFYOMFHIKWGPEC-VQVTYTSYSA-N 245.235 -1.511 0 1 BAAF CCCCOC[C@]1(O)OC[C@H](O)[C@@H](O)[C@@H]1O 2356681302 PKFXOEDXEGFAPK-JXUBOQSCSA-N 236.264 -1.395 0 1 BAAF OC[C@]1(O)[C@H]2[C@H](O)OCC[C@H]2[C@H](O)[C@H]1O 35241621 GVPJIARKBVSQGO-MWRHRVLASA-N 220.221 -2.584 0 1 BAAF O=C(O)[C@@H]1CCCN1C[C@@H](O)C(=O)O 58638492 VWTJOUUXTYKUIB-NTSWFWBYSA-N 203.194 -1.019 0 1 BAAF in-vitro O=P(O)(O)OC[C@@H](O)[C@@H](F)[C@@H](O)CO 40818737 LFBIBWHGJKTTMC-LMVFSUKVSA-N 234.116 -1.852 0 1 BAAF C[C@H]1O[C@@H](COCCO)N[C@@H]1C(=O)O 98209410 WUKGKFDQSAOVTH-VQVTYTSYSA-N 205.210 -1.217 0 1 BAAF in-vitro N[C@]1(C(=O)O)[C@H]2[C@H](C[C@H]1O)[C@@H]2C(=O)O 100858494 NTPXNEQCDPWJQA-PAFFDYNNSA-N 201.178 -1.520 0 1 BAAF CNC(=O)c1cnc2c(=O)[nH]c(N)nc2n1 72179249 JHFNFYAFXYZXCW-UHFFFAOYSA-N 220.192 -1.345 0 1 BAAF N[C@@]12NC(=O)[C@@]3(O)[C@H]4[C@@H]1[C@H]1C[C@@H]4[C@@H]4[C@@H]1[C@@H]2[C@@H]43 195473667 VBEXUTHCHITDKA-NMWDHMFWSA-N 218.256 -1.110 0 1 BAAF Cc1cncc([C@@H](O)[C@@H](O)C(O)O)n1 2356330778 RIWIXLIHHPDVLT-RNFRBKRXSA-N 200.194 -1.510 0 1 BAAF CC=CC1=C(CO)[C@H](O)[C@H](O)[C@H](O)[C@H]1O 2356788954 CSBVPLTZWBYCDB-QEYWKRMJSA-N 216.233 -1.691 0 1 BAAF Cc1cn([C@H]2C[C@H](N)[C@H](CO)O2)c(=O)[nH]c1=O 4958267 ADVCGXWUUOVPPB-BIIVOSGPSA-N 241.247 -1.548 0 1 BAAF in-man CC(=O)N1C[C@H]2COCCN2C2(CNC2)C1 2356288563 HBRCFDBENCFDAN-JTQLQIEISA-N 225.292 -1.109 0 1 BAAF O=C(O)C(=O)C[C@H](O)[C@@H](O)CS(=O)(=O)O 2356342682 COLOZALSGXIPJV-UCORVYFPSA-N 242.205 -2.360 0 1 BAAF CCCCN[C@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O 28010280 LIHFRDUKHROKTG-LNFKQOIKSA-N 231.292 -1.240 0 1 BAAF CC(=O)O[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]1O 238781849 SJZIHMQRRBXIGV-FWRBPFIFSA-N 222.193 -3.264 0 1 BAAF O=C1N[C@H](CO)[C@@H](Oc2ccc(O)cc2)[C@H]1O 2356806725 VXIZQQKPMIQQET-OPRDCNLKSA-N 239.227 -1.009 0 1 BAAF CO[C@@H]1O[C@@H](C)[C@H](N)[C@H](O)[C@@H]1NC(C)=O 13439111 IQJHBANYHDMSIF-OPZJRAHQSA-N 218.253 -1.430 0 1 BAAF NS(=O)(=O)OC[C@H]1O[C@H](O)[C@@H](O)[C@@H]1O 84466028 UEJFFEXUFQIZSV-MBMOQRBOSA-N 229.210 -3.355 0 1 BAAF Cn1nc2c(nc1=O)c(=O)n(C)c(=O)n2C 3617410 NLCDJWLDGSBUOQ-UHFFFAOYSA-N 223.192 -2.274 0 1 BAAF biogenic Cc1nc(N)nn1[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O 17192795 XTVAFVSOEHBQPC-JWXFUTCRSA-N 230.224 -2.220 0 1 BAAF Cc1c(CC(CO)CO)n(C)c(=O)[nH]c1=O 58650795 FMPCUJIPAJPVKR-UHFFFAOYSA-N 228.248 -1.475 0 1 BAAF in-vitro C[C@]1(N)C(=O)NC(=O)N[C@@H]1[C@@H]1C=C2NC(=O)N21 535384682 JJFGFASKBCXOBF-ZDDTXHBQSA-N 237.219 -1.839 0 1 BAAF biogenic,in-vitro NC(=O)CNCCCC[C@H](N)C(=O)O 64634025 WSFRFBSAMZAMTL-LURJTMIESA-N 203.242 -1.357 0 1 BAAF in-vitro C[C@H]1[C@H](O)[C@@H]2OC(=O)[C@@H]3[C@@H](O)OC[C@@]1(O)[C@@H]32 169646026 FFXUKJKVADHZEA-ODEJUTPZSA-N 230.216 -1.766 0 1 BAAF Cc1nc(N)nn1[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O 31821231 XTVAFVSOEHBQPC-BNHYGAARSA-N 230.224 -2.220 0 1 BAAF C[C@H](O)[C@@H](N)C(=O)NCCCC[C@@H](N)C(=O)O 50028015 KBBSTKRMTXZXBS-XLPZGREQSA-N 247.295 -1.607 0 1 BAAF endogenous,in-vitro OC[C@H](O)[C@@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@@H]1O 100820648 HYWDXGGHANXDIV-RWBPMGAUSA-N 240.208 -4.498 0 1 BAAF endogenous,in-man CC(=O)N[C@]12N[C@]1(O)O[C@H](CO)[C@@H](O)[C@H]2O 2356347118 CFHQIDNEXLQJPR-FMDGEEDCSA-N 234.208 -3.819 0 1 BAAF C[C@]12C[C@@]1(C(=O)O)N1C(=O)C[C@H]1S2(=O)=O 27524313 YCNTUSCWGZELAV-DTLFHODZSA-N 231.229 -1.041 0 1 BAAF CO[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@@H]2NC(=O)C(=O)N21 2356635365 YINZYTTZHLPWBO-WHRNBFEESA-N 232.192 -3.660 0 1 BAAF C[C@H](C(=O)N[C@@](C)(CO)C(=O)O)[C@H](O)[C@@H](C)O 33753294 XXCXSSMNJUZBQI-XIVUIJJLSA-N 249.263 -1.684 0 1 BAAF in-vitro C[C@@H]1COC[C@]12O[C@H](O)[C@H](O)[C@@H](O)[C@H]2O 2356433674 QRKUPEZGRBMRGN-JTMCIWCCSA-N 220.221 -2.177 0 1 BAAF O=c1ncccn1[C@@H]1C[C@@H](CO)[C@@H](O)[C@H]1O 26576425 CPAMGUFEGWDLST-KDXUFGMBSA-N 226.232 -1.482 0 1 BAAF N[C@@H](CC[S@](=O)C[C@@H](N)C(=O)O)C(=O)O 13430864 JNUGGJHCMRWUDV-KULBSPAWSA-N 238.265 -2.051 0 1 BAAF COCCN[C@@H]1[C@H]2OC[C@@H](O2)[C@H](N)[C@H]1O 2356839206 LRUVDKTXDFISJO-NXRLNHOXSA-N 218.253 -1.966 0 1 BAAF O=c1ccncn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 16920007 KOCMVSNGUFLMHS-BUJSFMDZSA-N 228.204 -2.145 0 3 BAAF C[C@@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14679796 AJLVEHFNMNRXNI-JPFOUYRMSA-N 238.236 -2.816 0 1 BAAF endogenous,in-man O=C1N[C@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)N2C1=O 53683977 OIURYJWYVIAOCW-VFUOTHLCSA-N 232.192 -4.272 0 1 BAAF in-vivo O=P(O)(O)OC[C@H](O)[C@H](O)C(O)=C(O)O 69480522 HECIKEYOHZLSNP-HRFVKAFMSA-N 246.108 -1.339 0 1 BAAF endogenous,in-vitro OC[C@H](O)[C@@H](O)c1nc2ncc[nH]c-2n1 586892768 VZSGUKIFBJKHEH-CRCLSJGQSA-N 210.193 -1.309 0 1 BAAF Cn1cc[n+](-c2cc(=O)n(C)c(=O)[nH]2)c1 1658118 BAMGJVKKEYCJCG-UHFFFAOYSA-O 207.213 -1.311 0 1 BAAF C[C@@H](ONC(=O)C[C@H](N)C[C@@H](O)CN)C(=O)O 26485174 OCOOOFDNVYPOID-FSDSQADBSA-N 249.267 -2.066 0 1 BAAF CNC(=O)[C@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 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240.219 -1.973 0 1 BAAF O=c1[nH]c(=O)n([C@H]2CO[C@H](CO)[C@H]2O)cc1F 31897686 MXURFEAREZZFIY-XVMARJQXSA-N 246.194 -2.031 0 1 BAAF O=c1[nH][nH]c(=S)n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 48999828 ZARHFEAWTPQLDU-TXICZTDVSA-N 249.248 -2.155 0 1 BAAF N=c1nnc(=N)c1=NNc1cccc(C(=O)O)c1 138025793 MBYHOWWAJOLPNG-UHFFFAOYSA-N 244.214 -1.063 0 1 BAAF NN1C(=O)/C(=C\CC(=O)O)NNC1=S 957883995 ONBOXLHFEOPUQX-HNQUOIGGSA-N 216.222 -1.560 0 1 BAAF C[C@@H]1[C@H](O)[C@H](O)[C@@H]2C(C(=O)O)=COC[C@@]21O 2356452674 ZCPRKXVRISCLMR-JRKQWFLUSA-N 230.216 -1.296 0 1 BAAF C[C@H](O)CNC(=O)[C@H](CCC(=O)O)NC=O 2356481940 BTAPKFMRRPXFOK-BQBZGAKWSA-N 232.236 -1.537 0 1 BAAF CC(=O)N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 5160430 IBONACLSSOLHFU-CBQIKETKSA-N 221.209 -3.078 0 1 BAAF O=c1[nH]c(=O)n([C@@H]2CO[C@H](CO)[C@H]2O)cc1F 31897678 MXURFEAREZZFIY-QYNIQEEDSA-N 246.194 -2.031 0 1 BAAF NCC[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 40472437 BNFUZESWWRCHFC-TVNFTVLESA-N 207.226 -2.822 0 1 BAAF O=C1C[S@](=O)[C@@H]2[C@H](O)[C@H](O)[C@H](O)CN12 95561446 KPDYJBXYJXGSDV-VCXDBOKCSA-N 221.234 -3.000 0 1 BAAF OC[C@H](O)[C@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@@H]1O 101649801 BGWQRWREUZVRGI-WIIBDSHTSA-N 210.182 -3.861 0 1 BAAF O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)CO[C@H]1O 263620940 QIAIUTJEZJIPSH-QMKXCQHVSA-N 230.109 -2.465 0 1 BAAF in-vitro O=P(O)(O)OC[C@@H](O)[C@H](F)[C@@H](O)CO 40818741 LFBIBWHGJKTTMC-VPENINKCSA-N 234.116 -1.852 0 1 BAAF N[C@@]1(C(=O)O)[C@H](O)C[C@H]2[C@H](C(=O)O)[C@@H]21 100858492 NTPXNEQCDPWJQA-DXAHRANUSA-N 201.178 -1.520 0 1 BAAF N=C1NC(=O)N[C@@H](c2ccnc(O)n2)[C@@H]1N 535384690 JZNSXOIDABQZGB-WHFBIAKZSA-N 222.208 -1.159 0 1 BAAF biogenic,in-vitro CC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(N)=O 13650892 ZAMBNSYQLICEOW-YUMQZZPRSA-N 243.263 -2.040 0 1 BAAF O=C(O)[C@H](O)C[C@H](O)COP(=O)(O)O 27847433 PXTXECRFKKMUGX-IUYQGCFVSA-N 230.109 -1.708 0 1 BAAF CC(=O)NC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 263620530 HSDCYPQIPOCAJF-JDDHQFAOSA-N 230.264 -2.338 0 1 BAAF in-vitro CC(C)C[C@@H]1NC(=O)[C@]2(O)C[C@H](O)CN2C1=O 2356801310 RMFKNYZAOZOWDN-DKCNOQQISA-N 242.275 -1.187 0 1 BAAF CC(C)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 34548552 MJQQYLKJAGVSNG-HOTMZDKISA-N 236.264 -1.541 0 1 BAAF biogenic,in-vitro O=c1[nH]c(=O)c([C@H]2O[C@@H](CO)[C@H](O)[C@H]2O)co1 238782937 REFHNSOTFKKRAI-VWDOSNQTSA-N 245.187 -2.518 0 1 BAAF NC1=NC=N[C@@H]2[C@@H]1N=CN2[C@H]1C=C[C@@H](CO)O1 253688673 JVDLURWGVVPGCO-WHQQTDPMSA-N 235.247 -1.303 0 1 BAAF O=C1C[C@@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2CO1 2356600405 KTPUPORHUXLBHU-RYXSCOBISA-N 218.205 -2.376 0 1 BAAF Cc1cn([C@H](CCO)OCCO)c(=O)[nH]c1=O 6523466 CHQLZIBZRVIBFN-QMMMGPOBSA-N 244.247 -1.265 0 1 BAAF O=C1[C@@H](O)[C@@H](O)C[C@@](O)(C(=O)O)[C@H]1F 100848281 FACFTCCQYFIKAF-NXTKUWPGSA-N 208.141 -2.165 0 1 BAAF CO[C@H]1[C@H](O)[C@](O)(CO)[C@H]2COC(=O)C[C@@H]12 238740078 CMJIOWDIGPEACH-JSKNTUGKSA-N 232.232 -1.721 0 1 BAAF COC(OC)[C@H](O)[C@H]1OC[C@H](O)[C@@H]1O 238773203 NEVJSDCAIXBUDB-YTLHQDLWSA-N 208.210 -1.913 0 1 BAAF 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1 BAAF O=C1O[C@@H]([C@H](O)[C@@H](O)[C@H](O)CO)[C@@H](O)[C@@H]1O 16036001 NUYDBDGECBIUPJ-QVFHJDLNSA-N 238.192 -4.291 0 1 BAAF CO[C@H](CO)[C@H](O)[C@H](O)[C@H](O)C(=O)N(C)C 2356614908 NEKGNGUPHCHTGI-KVPKETBZSA-N 237.252 -2.835 0 1 BAAF Nc1ccn([C@H]2S[C@H](O)[C@@H](O)[C@@H]2O)c(=O)n1 28763329 LIZHPWUBMJLRON-AXMZGBSTSA-N 245.260 -1.889 0 1 BAAF CCCCN1[C@@H](CO)[C@H](O)[C@H](O)[C@H](O)[C@@H]1CO 100806192 ZQVLWTTWYIVORB-MFDAYCCISA-N 249.307 -2.093 0 1 BAAF CC(C)NC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1 101875962 OVAXHWHXOMLLAQ-DQUBFYRCSA-N 233.264 -1.881 0 1 BAAF O=C1N[C@](O)(CO)C(=O)N/C1=C\c1ccccc1 238766741 UGVGDXQGYRZIDA-PWWFUAJNSA-N 248.238 -1.046 0 1 BAAF CC(C)CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 2356482378 MJQQYLKJAGVSNG-MQIGXGKASA-N 236.264 -1.541 0 1 BAAF CC(=O)N[C@@H](CCC(=O)CN[N])C(=O)O 2356841870 MIVFHNPWTCXVMC-ZETCQYMHSA-N 215.209 -1.502 0 1 BAAF O=C(O)C1=C[C@@H](O)[C@H](O)[C@@H](C(=O)O)O1 13432666 KUKCUROTFRBUNU-ZBCLXGQLSA-N 204.134 -1.840 0 1 BAAF biogenic,in-man Cc1cn(N2C[C@@H](O)[C@@H](CO)C2)c(=O)[nH]c1=O 26736304 YMUQKZLGXINIHX-HTQZYQBOSA-N 241.247 -2.234 0 1 BAAF O=[N+]([O-])O[C@H]1C[C@H](O)[C@H](O[N+](=O)[O-])C[C@H]1O 43073774 XGQLIAIBANXQEV-FBXFSONDSA-N 238.152 -1.344 0 1 BAAF O[C@H]1C(NCc2ccccc2)[C@@H](O)[C@@H](O)[C@H]1O 16052013 AQARFUBRAYWQBH-CQGIUEJESA-N 239.271 -1.398 0 1 BAAF in-vitro O=NN1CN([N+](=O)[O-])CN([N+](=O)[O-])C1 32184559 LOSVOOKTCVILPF-UHFFFAOYSA-N 206.118 -1.157 0 1 BAAF in-vitro O=C1[C@@H]2COC[C@@H]2C(=O)N1N1CCOCC1 49784100 IAWRYWKNXWMHRR-OCAPTIKFSA-N 226.232 -1.135 0 1 BAAF CCCCO[C@]1(CO)OC[C@@H](O)[C@H](O)[C@@H]1O 95909917 NAJPAGUETSZHOG-XFWSIPNHSA-N 236.264 -1.395 0 1 BAAF biogenic,in-vitro CC(C)COC[C@@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O 40723308 FCTUCAAYOFEITD-XFWSIPNHSA-N 236.264 -1.540 0 1 BAAF NC(=O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 29330829 LIAOMNGNFIFMCN-OCGPHCGFSA-N 221.209 -3.296 0 1 BAAF C[C@H](NC(=O)CN)C(=O)N1CCC[C@H]1C(N)=O 38792212 KTMOIWFGSCJNDT-BQBZGAKWSA-N 242.279 -2.074 0 1 BAAF C=[N+]1c2c(O)nc(N)nc2NC[C@@H]1CN 535386091 SBBRCICYNAOFFG-BYPYZUCNSA-O 209.233 -1.138 0 1 BAAF in-vitro NC1=NCNc2c1ncn2C[C@@H](O)CO 28005956 BTQDXQBBHKSYBZ-RXMQYKEDSA-N 211.225 -1.675 0 1 BAAF O=C(COP(=O)(O)O)P(=O)(O)O 85588369 NXRMEXANZIDLKA-UHFFFAOYSA-N 220.010 -1.200 0 1 BAAF in-vitro N[C@@H](CN1C=C(F)C(=O)N[C@@H]1O)C(=O)O 4654873 YIBVSVWKLVBIKS-FFWSUHOLSA-N 219.172 -2.083 0 1 BAAF biogenic,in-vitro C=C/C(=C\NC(=O)[C@H](O)C[C@@H](N)C(=O)O)CO 14657637 VYDAYIZJJUOQMT-CTDODENGSA-N 244.247 -1.672 0 1 BAAF endogenous,in-man O=C1NCCCCN1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 26471273 XFBDBFJTEFLACS-BZNPZCIMSA-N 246.263 -1.769 0 1 BAAF O=C(O)[C@H](F)[C@H](O)[C@H](O)COP(=O)(O)O 27768053 OTIZHBJZRILQCX-BXXZVTAOSA-N 248.099 -1.760 0 1 BAAF O=P(O)(O)C[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 31543994 DFYLWBCXEJFDNK-KAZBKCHUSA-N 228.137 -2.354 0 1 BAAF OCCC[C@H]1N[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O 169326044 KHMSKOTZVYFFSP-ZTKNNBQKSA-N 221.253 -2.826 0 1 BAAF C/C(=C/[C@@]1(O)O[C@@H](CO)[C@H](O)C[C@@H]1O)C(=O)O 238735308 PJPNEBYGJVXUJV-QVBJKOAWSA-N 248.231 -1.791 0 1 BAAF NC(=O)C1=C[C@@H]2[C@@H]3C=C[C@@]2(O)C(=O)O[C@@H]3O1 1996079 OXSZHYWOGQJUST-DDAZSXFFSA-N 223.184 -1.198 0 1 BAAF CO[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H](O)[C@@H]1O 653851528 GJUAFBSAJCBGRU-VOUCJTRVSA-N 224.209 -3.206 0 1 BAAF CCOC[C@]1(O)OC[C@H](O)[C@H](O)[C@H]1O 2356539733 ZAAXPJUGNJCUHG-HSNKUXOKSA-N 208.210 -2.176 0 1 BAAF COC(OC)[C@H](OC)[C@@H]1OC[C@H](O)[C@H]1O 2356699120 DRCOHCBNHHWVQJ-LXGUWJNJSA-N 222.237 -1.259 0 1 BAAF C[C@]1(F)[C@@H](O)[C@@H](O)O[C@H]1n1ccc(N)nc1=O 72190139 YCZXKAMNSDQXIU-LKHWLPBLSA-N 245.210 -1.238 0 1 BAAF investigational O=C(O)[C@@H](O)[C@H](O)[C@H](O)CP(=O)(O)O 13477423 XCBNBIPHASXSKG-JJYYJPOSSA-N 230.109 -2.669 0 1 BAAF in-vivo O=C1C[C@H]2[C@H](O)[C@H](O)[C@](O)(CO)[C@H]2CO1 35241618 KTPUPORHUXLBHU-KZGNQQLCSA-N 218.205 -2.376 0 1 BAAF CCOC[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H]1O 169323477 AFBSSPXUUHDFSU-FMGWEMOISA-N 208.210 -2.177 0 1 BAAF O=S(=O)(NO)N[C@H]1C=C[C@@H](O)CO1 299820909 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OC[C@H](O)[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H](O)[C@H]1O 59641687 HYWDXGGHANXDIV-QXFQYNETSA-N 240.208 -4.498 0 1 BAAF in-man N[C@@H](C(=O)O)[C@@H]1C[C@H](C(=O)O)NC1=O 100771703 QEFCFJFZZLNSPP-PZGQECOJSA-N 202.166 -2.012 0 1 BAAF endogenous,in-man N[C@@H](C(=O)O)C(=O)COP(=O)(O)O 29398220 LMKSRFWSQAKTOE-GSVOUGTGSA-N 213.082 -1.923 0 1 BAAF in-vitro NC(=O)c1nnnn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 32092103 UAPTWLHZUPXFRE-WVQVIYPNSA-N 245.195 -3.617 0 1 BAAF CN(C)[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cncn2)[C@@H]1O 2356294450 BOXKCXIJKSJBHG-SPFKKGSWSA-N 240.263 -1.135 0 1 BAAF CNC(=O)c1nnc2c(O)n(C)nnc1-2 101198391 LTAXGAVDZGHDIE-UHFFFAOYSA-N 208.181 -1.225 0 1 BAAF NC[C@@H](N)Cn1cc(F)c(O)nc1=O 263621328 ZBKWVMMCABYTAU-SCSAIBSYSA-N 202.189 -1.626 0 1 BAAF in-vitro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c2nccn21 3821680 RZRDQZQPTISYKY-JWXFUTCRSA-N 200.194 -1.815 0 1 BAAF in-vitro N=C(N)NCCC[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 40955466 IOTWKQKWXMYZNJ-FKSUSPILSA-N 233.268 -2.269 0 1 BAAF OC[C@@H](O)[C@@H](O)c1nc2c(O)nc(O)nc2[nH]1 586893604 XVINLSREYVZNDX-VVJJHMBFSA-N 242.191 -1.849 0 1 BAAF O=C1N[C@H](CO)[C@H](Oc2ccc(O)cc2)[C@H]1O 2356806723 VXIZQQKPMIQQET-BBBLOLIVSA-N 239.227 -1.009 0 1 BAAF OCC1=C[C@H](NC(CO)CO)[C@@H](O)[C@H](O)[C@@H]1O 25991857 IPQJPZKISYBTAQ-SGIHWFKDSA-N 249.263 -3.687 0 1 BAAF CC[C@@H](C)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O 31169319 SPMHDJVTXLHOTJ-DAORTFEHSA-N 236.264 -1.399 0 1 BAAF biogenic,in-vitro C[C@@H](O)[C@H](NC(=O)[C@H](N)CCCCN)C(=O)O 34946851 ZOKVLMBYDSIDKG-PRJMDXOYSA-N 247.295 -1.607 0 1 BAAF endogenous,in-man COC(OC)[C@H](O)[C@H]1OC[C@@H](O)[C@@H]1O 38321780 NEVJSDCAIXBUDB-UCROKIRRSA-N 208.210 -1.913 0 1 BAAF biogenic,in-vitro O=C1S[C@@H]2[C@H](O)[C@H](O)[C@H](O)CN2C1=O 95560543 SGZCEBTUJNPUIW-ZGEUXELVSA-N 219.218 -2.489 0 1 BAAF OC[C@H]1O[C@@H](c2nnn[nH]2)[C@H](O)[C@@H](O)[C@@H]1O 96902201 HDCGZAIJEOKMII-VFUOTHLCSA-N 232.196 -3.285 0 1 BAAF COC[C@H](O)[C@@H]1OC(=O)[C@H](OC)[C@H]1OC 2356569817 SPOZMXNRQKNYRY-DKXJUACHSA-N 220.221 -1.051 0 1 BAAF N=C(N)N[C@H]1[C@H](O)C(=O)[C@H](O)[C@@H](O)[C@@H]1O 4096496 MMPAYJAQJWVMJV-LVBGKUAWSA-N 219.197 -4.136 0 1 BAAF in-vitro O=c1ccn(C[C@@]2(CO)C[C@H]2CO)c(=O)[nH]1 26716762 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ONYQXTRDKKFWNG-LURJTMIESA-N 209.138 -1.166 0 1 BAAF O=C1N=CCCN1[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O 169726814 IETQKJGVIZCNAZ-XUTVFYLZSA-N 230.220 -1.678 0 1 BAAF O[C@@H]1[C@H](O)[C@H](O)[C@H](O)[C@H]1NCc1ccccc1 263620246 AQARFUBRAYWQBH-YZCVJGAOSA-N 239.271 -1.398 0 1 BAAF in-vitro O=c1ncccn1[C@@H]1C=C(CO)[C@@H](O)[C@@H]1O 5809831 XLZQKAGRWVHGNV-IWSPIJDZSA-N 224.216 -1.562 0 1 BAAF O=[N+]([O-])O[C@H]1CO[C@H]2[C@@H](O[N+](=O)[O-])CO[C@@H]12 11592747 MOYKHGMNXAOIAT-BXKVDMCESA-N 236.136 -1.062 0 1 BAAF NC(=O)[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 12502521 UKWLGCFJAVEFPE-TVIMKVIFSA-N 207.182 -3.686 0 1 BAAF O=C1C[C@]2(C(=O)N1)C(=O)NC(=O)c1cccn12 13781432 NINHKRHIVCXCNS-JTQLQIEISA-N 233.183 -1.500 0 1 BAAF O=c1[nH]c(=O)n([C@H]2COCC[S@@]2=O)cc1F 27562233 XOWBOYJETLSYII-ADNUTGFCSA-N 248.235 -1.047 0 1 BAAF COCn1nnc2c(C(N)=O)ncn2c1=O 34561878 VFIPNQJEVDSSGU-UHFFFAOYSA-N 224.180 -2.011 0 1 BAAF NC(=O)[C@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 40801401 UKWLGCFJAVEFPE-RUTHBDMASA-N 207.182 -3.686 0 1 BAAF O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)C[C@@H]2O)cc1F 5640697 QHTRUFIZOPJXNT-DTLFHODZSA-N 244.222 -1.020 0 1 BAAF C[C@H]1CN([C@@H]2C[C@@H](O)[C@@H](CO)O2)C(=O)NC1=O 12406765 FEYHMSUYKIMUAL-OSMVPFSASA-N 244.247 -1.358 0 1 BAAF OCC1=CO[C@H](O)[C@@H]2C1=C[C@@H](O)[C@@]21CO1 14771116 OHFUJVGMWXATSG-KATARQTJSA-N 212.201 -1.103 0 1 BAAF endogenous,in-man C[C@H](O)N[C@H](CO)[C@H](O)[C@@H](O)[C@H](O)CO 53684010 OUBSZQOZVSSBQR-SHGPDSBTSA-N 225.241 -3.650 0 1 BAAF in-vivo NC(=O)CC[C@@H](N)C(=O)NC(CO)=C(O)O 100386491 BMKVIQRDFGZNHC-SCSAIBSYSA-N 233.224 -2.027 0 1 BAAF endogenous,in-vitro CCCCN[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@@H]1O 40743403 LIHFRDUKHROKTG-ZDCRXTMVSA-N 231.292 -1.240 0 1 BAAF O=C(O)[C@]1(O)C=C(COP(=O)(O)O)CO1 59066099 ZKHKOMMILZRCOW-LURJTMIESA-N 240.104 -1.175 0 1 BAAF in-vitro CCCCN[C@@H]1C=C(CO)[C@H](O)[C@@H](O)[C@H]1O 58662230 LIHFRDUKHROKTG-VPOLOUISSA-N 231.292 -1.240 0 1 BAAF N[C@H]1C[C@@H](N)[C@H](O)[C@@H](O)[C@]12C[C@H](O)[C@H](O)CO2 66251693 WKLYSPFGRRAVMM-FZXYNJJMSA-N 248.279 -3.353 0 1 BAAF N=c1[nH]cc2nc([C@@H](O)[C@@H](O)CO)nc-2[nH]1 586887335 FDAHFOAVAQSLCO-WHFBIAKZSA-N 225.208 -1.896 0 1 BAAF O=C(CO)N[C@@H]1C(=O)O[C@H](CO)[C@@H](O)[C@H]1O 2356316144 HGKMWYVYIMDKCV-CEGFXJEYSA-N 235.192 -3.897 0 1 BAAF NC(=O)[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 3591076 UKWLGCFJAVEFPE-MDMQIMBFSA-N 207.182 -3.686 0 1 BAAF CO[C@@H]1NC[C@H](O)[C@@H](NC(C)=O)[C@@H](O)[C@@H]1O 84615838 YHIONQKFAQRBHP-ABRLLLAPSA-N 234.252 -2.851 0 1 BAAF O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CNO 169728551 LZPGYZGGPPENSX-NQXXGFSBSA-N 245.124 -2.635 0 1 BAAF O=P(O)(O)OC[C@@H]1O[C@H](O)[C@H](F)[C@@H]1O 253806632 NOTDWSJIOCLYHZ-RSJOWCBRSA-N 232.100 -1.488 0 1 BAAF CC(=O)N[C@H]1CN(S(=O)(=O)O)C1=O 26568153 VMLGKRQVSZPDKY-BYPYZUCNSA-N 208.195 -1.864 0 1 BAAF CC(=O)N[C@@H]1C[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O 40533546 PIUQLIWBULGWLI-ULHDWMFZSA-N 219.237 -2.414 0 1 BAAF O=C1C[C@H](O)[C@@H](COP(=O)(O)O)O1 584905232 HVOUTFMBJJOKCH-IUYQGCFVSA-N 212.094 -1.228 0 1 BAAF in-vitro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in-vitro N[C@@H](CC1=CC(=O)N(CC(=O)O)C1=O)C(=O)O 13651380 WPWZWMYCNMSCJL-YFKPBYRVSA-N 242.187 -1.832 0 1 BAAF NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)n1 95554820 SHCMXZUFUGWYDK-AFCXAGJDSA-N 246.198 -2.034 0 1 BAAF C[C@@H]1COC[C@@H]2O[C@H](O)[C@H](O)[C@@H](O)[C@@H]2O1 2356543009 JDTMOBCXZZCLPF-IQBJDPKBSA-N 220.221 -1.771 0 1 BAAF CC1(C)O[C@@H]2[C@@H](O)[C@@H](O)[C@@H](O)[C@H](O)[C@H]2O1 15206067 RUICEADCEITZAL-NOVZGDRXSA-N 220.221 -2.036 0 1 BAAF NC(=O)CC(NC(=O)[C@@H](N)CC(N)=O)=C(O)O 100386011 GTOFUMBKKUBLPZ-VKHMYHEASA-N 246.223 -2.534 0 1 BAAF endogenous,in-vitro NCCNC(=O)[C@]1(O)C[C@@H](O)[C@@H](O)[C@H](O)C1 101839148 XRGSHHKQKGZFTJ-PULFBKJNSA-N 234.252 -3.331 0 1 BAAF C[C@H](O)[C@@H](N[N])C(=O)OC[C@@H](N)C(=O)O 2356828811 ILAVGKNLUJZPRQ-VPENINKCSA-N 219.197 -2.736 0 1 BAAF COCCN[C@@H]1[C@H]2OC[C@@H](O2)[C@@H](N)[C@@H]1O 2356839205 LRUVDKTXDFISJO-DFTQBPQZSA-N 218.253 -1.966 0 1 BAAF C[C@H](O)C(=O)C1=N[C@@H]2C(=O)NC(=O)N=C2NC1 59064975 PBOYABLKUPLHMP-UCORVYFPSA-N 238.203 -2.003 0 1 BAAF in-vitro O=C(O)[C@H](O)[C@@H](O)[C@H](O)C(O)=C(O)O 69488916 RRHDUJVJAWUZCW-XZIMBLGRSA-N 210.138 -2.003 0 1 BAAF endogenous,in-vitro CO[C@H]1C(=N)C[C@@](O)(CO)C[C@@H]1NCC(=O)O 238771403 HEQQNHQKWVIXLJ-HGNGGELXSA-N 246.263 -1.419 0 1 BAAF O=C1N[C@@H](O)CCN1[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O 26471238 UCKYOOZPSJFJIZ-DWOUCZDBSA-N 248.235 -2.841 0 1 BAAF CCCCOC[C@H]1O[C@@](O)(CO)[C@@H](O)[C@@H]1O 29310270 ZFPSQVRCHPHOAX-IMSYWVGJSA-N 236.264 -1.395 0 1 BAAF N[C@H]1NC=CN1Cc1[nH]c(=O)[nH]c(=O)c1Cl 103589941 VDNGDZIPDSUEKT-ZETCQYMHSA-N 243.654 -1.165 0 1 BAAF in-vivo N=C(N)NCCC[C@H](NC(=O)O)C(=O)O 584905261 YSAVLQWBPUIBPN-BYPYZUCNSA-N 218.213 -1.030 0 1 BAAF in-vitro O=C1O[C@H]2C[C@]3(C(=O)O)C[C@H](N[C@@H]1C3)[C@@H]2O 1772602340 ZDDWVULVOBYEDE-JNFBUWDASA-N 227.216 -1.132 0 1 BAAF CO[C@@H]1[C@@H](O)O[C@H](CO)[C@H](OC)[C@H]1OC 2356648619 JVOHXPRICXIUJD-DMAGGPPCSA-N 222.237 -1.259 0 1 BAAF COCn1c(C[C@@H](O)CO)c(C)c(=O)[nH]c1=O 169353938 YHFVHIGXBLCERL-SSDOTTSWSA-N 244.247 -1.655 0 1 BAAF O=C(O)[C@H]1[C@@H]2CC[C@@](O)(N2)[C@@H](O)[C@@H]1O 238684868 PDYYKIGRLAPYOH-XDUWNTRXSA-N 203.194 -2.137 0 1 BAAF O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cccnc21 299830054 NTZAFCLHMGXGJV-URPMGSGRSA-N 248.238 -1.327 0 1 BAAF O[C@H]1CCCN2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]12 5600278 QTBDZCJQYXPZJL-XDQCBXAXSA-N 203.238 -2.092 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)[C@@H](O)[C@H]1OP(=O)(O)O 2356317167 UBXDUQZBZKTGSW-RXRWUWDJSA-N 242.168 -2.756 0 1 BAAF O=c1c(O)cccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O 17128260 GQSAGYKSMRCCRM-BDNRQGISSA-N 243.215 -1.835 0 1 BAAF C[C@@H](O)c1cn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)nn1 28962325 HUJNQKHRQATDHE-GPMKSPRZSA-N 245.235 -2.057 0 1 BAAF Nc1cc2nc([C@H](O)[C@H](O)CO)[nH]c2cn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in-vitro N=C(N)n1nc2ccc3nn(C(=N)N)nc3c2n1 5092942 AEKXHWKXTUXUKT-UHFFFAOYSA-N 244.222 -1.341 0 1 BAAF N[C@@H](CSCCS(N)(=O)=O)C(=O)O 5828870 ZRCBQBJBRHIRRG-BYPYZUCNSA-N 228.295 -1.580 0 1 BAAF in-vivo Nc1nc(=O)n([C@H]2C[C@@H](N)[C@@H](CO)O2)cc1F 29411952 YLNFKWHRTUMPMJ-FSDSQADBSA-N 244.226 -1.428 0 1 BAAF NC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@@H](O)[C@@H]1O 146161027 DJYTWLADTBMTBF-CCXZUQQUSA-N 243.219 -2.886 0 1 BAAF Cc1cncc([C@H](O)[C@H](O)C(O)O)n1 2356330774 RIWIXLIHHPDVLT-BQBZGAKWSA-N 200.194 -1.510 0 1 BAAF C[C@H](O)CO[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14679794 AJLVEHFNMNRXNI-RKOJMGJASA-N 238.236 -2.816 0 1 BAAF endogenous,in-man CN(C)C1=N[C@H]2[C@@H](O1)[C@H](CO)[C@@H](O)[C@@H]2O 33821203 MKJAYSJDHSEFRI-PVFLNQBWSA-N 216.237 -1.985 0 1 BAAF in-vivo Cc1cn(/C=C/[C@H](O)[C@H](O)CO)c(=O)[nH]c1=O 6523350 UVYVDIMWTLSDFQ-RIAPOHOLSA-N 242.231 -1.970 0 1 BAAF CCCCN[C@@H]1C=C(CO)[C@H](O)[C@@H](O)[C@@H]1O 28010283 LIHFRDUKHROKTG-LMLFDSFASA-N 231.292 -1.240 0 1 BAAF C[C@H]1N=C2[C@H](O)[C@H](O)[C@H](CO)O[C@@H]2S1 70719778 PFWKBORYMJDXKT-DYFXYSCOSA-N 219.262 -1.041 0 1 BAAF C[C@@H](O)CO[C@H]1O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]1O 85809006 AJLVEHFNMNRXNI-IQBJDPKBSA-N 238.236 -2.816 0 1 BAAF in-man OC[C@@H](O)[C@H](O)c1nc2cnnc(O)c2[nH]1 586889203 JXZBAHQGLGWECD-XINAWCOVSA-N 226.192 -1.555 0 1 BAAF N[C@H](CC(C=C=O)=C[C@@H](O)C(=O)O)C(=O)O 2356700641 DDPFUGIRVJYBMN-RNFRBKRXSA-N 229.188 -1.452 0 1 BAAF CCCC[C@@H]1N[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 13380493 ZSNFEMNRWFDMNU-OEZYJKACSA-N 219.281 -1.408 0 1 BAAF O=C1NC(=S)N[C@@]12OC[C@@H](O)[C@H](O)[C@H]2O 13863729 PZCVMORWKOVUST-PEXRZSOISA-N 234.233 -3.200 0 1 BAAF O=c1[nH]c(=O)n([C@H]2OC[C@@H](O)[C@H]2O)cc1F 25991736 DXLBHTLMVGZLFO-XAHCXIQSSA-N 232.167 -2.074 0 1 BAAF O=P(O)(O)C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 84687181 DFYLWBCXEJFDNK-MOJAZDJTSA-N 228.137 -2.354 0 1 BAAF O=c1[nH]c(=O)n([C@H]2CO[C@@H](CO)O2)cc1F 3581667 BKAZLDCPHOOOKH-PHDIDXHHSA-N 232.167 -1.461 0 1 BAAF CC(=O)SCCNC(=O)[C@H](C)NC(=O)CN 26750936 BSFOVBQJAWQHPM-LURJTMIESA-N 247.320 -1.154 0 1 BAAF N[C@@]12NC(=O)[C@]3(O)[C@@H]4[C@@H]5[C@H]([C@@H]6C[C@@H]5[C@@H]3[C@@H]61)[C@@H]42 169303586 VBEXUTHCHITDKA-ZHGDVPQUSA-N 218.256 -1.110 0 1 BAAF CO[C@@H]1[C@@H](O)O[C@H](C(=O)O)[C@H](OC)[C@H]1OC 2356624897 SOGLUAVFLRGVRZ-RQYWWVFRSA-N 236.220 -1.167 0 1 BAAF OC[C@H](O)[C@H](O)[C@H](O)[C@@H](O)c1nnn[nH]1 105478410 VPUGXNYOCIAXLS-NEEWWZBLSA-N 220.185 -3.692 0 1 BAAF CC(C)C(=O)O[C@@H]1[C@@H](O)[C@@H](O)C=C(CO)[C@H]1O 238755325 UIDCYBLYOWCMBS-JXUBOQSCSA-N 246.259 -1.431 0 1 BAAF O=C1O[C@H]([C@@H](O)CO)[C@@H]([C@@H](O)CO)OC1=O 17224093 NPXVGARLFHBJTQ-UNTFVMJOSA-N 236.176 -3.470 0 1 BAAF O=P(O)(O)OC[C@H](O)[C@@H](O)[C@H](F)CO 27769708 DVUJWOXCZUUAIM-WISUUJSJSA-N 234.116 -1.852 0 1 BAAF CC(=O)N[C@@H]1[C@@H](O)[C@@H](N)[C@@H](C)O[C@H]1O 64634173 ISOLGZVBSWHFJY-HVLFGXPUSA-N 204.226 -2.084 0 1 BAAF in-vitro C[C@H]1O[C@H](N2CC=C[C@@H](C(N)=O)C2)[C@H](O)[C@@H]1O 263620776 MYKCTORFOIHUSG-VCMDJLOCSA-N 242.275 -1.574 0 1 BAAF in-vitro O=c1c(O)cccn1[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O 5519176 GQSAGYKSMRCCRM-ODHVRURNSA-N 243.215 -1.835 0 1 BAAF CCNc1[nH]c(=O)n(O)c(=O)c1C(N)=O 1857587289 HTCQYLCJHWSJCS-UHFFFAOYSA-N 214.181 -1.695 0 1 BAAF O=c1ncccn1[C@@H]1C=C(CO)[C@@H](O)[C@H]1O 13555454 XLZQKAGRWVHGNV-HLTSFMKQSA-N 224.216 -1.562 0 1 BAAF O=C(O)[C@@H]1CN(CCc2nnn[nH]2)CCN1 19364424 GXQNTGVRQAAYQI-LURJTMIESA-N 226.240 -1.899 0 1 BAAF O=C1CN([C@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN1 49016712 IVVUGGIVZUMZPF-YYNOVJQHSA-N 232.236 -3.143 0 1 BAAF O=P(O)(O)COC[C@@H](O)Cn1cncn1 27632997 HONDKTSBXOHPBE-LURJTMIESA-N 237.152 -1.209 0 1 BAAF C[C@H](O[C@H]1[C@H](O)[C@H](O)O[C@@H](C)[C@H]1O)C(=O)O 2356594116 JOMFHFOOPCCBLZ-FQIRZYDFSA-N 236.220 -1.696 0 1 BAAF CO[C@@H]1OC[C@@H](O)[C@H](N(C)C(C)=O)[C@H]1O 238743920 CILDSYMDUWIXMG-BZNPZCIMSA-N 219.237 -1.442 0 1 BAAF NCC(=O)N[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 299818540 AVDOUEOFSCXBTB-WEAIKQDOSA-N 236.224 -4.139 0 1 BAAF N[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2ccnc2)[C@@H]1O 2356313640 PDGMQLZCVRCODU-ZEBDFXRSSA-N 211.221 -1.133 0 1 BAAF O=c1n[n+]([O-])ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O 6091547 WFWMIUSHSIJAKH-DBRKOABJSA-N 245.191 -3.512 0 1 BAAF CNC(=O)[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 26830266 GLOZHHWMZYAHBQ-IBISWUOJSA-N 221.209 -3.425 0 1 BAAF C[C@@H](O)c1nc([C@@H](O)[C@H](O)[C@H](O)CO)c[nH]1 40829527 LJCNCJMBPIMJMH-XVFCMESISA-N 232.236 -1.790 0 1 BAAF C[C@@H]1C[C@H](O)[C@@H]2[C@H](O)[C@@H](O)[C@@H](CO)N12 40973621 PIBHCJDPQRCONN-ZLSXHNQQSA-N 203.238 -2.094 0 1 BAAF C[C@H]1C(=O)[C@@H](O)[C@H](O)C[C@]1(O)C(=O)O 213028285 YHBCRPWBCJOXAZ-MIZGGHSWSA-N 204.178 -1.867 0 1 BAAF in-vitro O=c1nc(O)c(F)cn1[C@@H]1O[C@H]2CO[C@H]1[C@H]2O 254092370 HDJXIAVWVQQMLN-VUBPFVNUSA-N 244.178 -1.255 0 1 BAAF N[C@@H](CO[P@](=O)(O)CC(=O)O)C(=O)O 2356861552 UKJFATGBBKGGDU-VKHMYHEASA-N 227.109 -1.315 0 1 BAAF O=c1[nH]cnc2c1NCN2COC(CO)CO 27110219 FSNBMIGFAZFEGM-UHFFFAOYSA-N 242.235 -1.713 0 1 BAAF C[C@@H]1N[C@](CN)(CO)[C@@H](O)[C@@H](O)[C@H]1O 36351333 AZXFRLATBKJXFM-DMHSOCPYSA-N 206.242 -3.249 0 1 BAAF OC[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1NCCS1 13614919 RCHUVONGFCEQNK-SLBCVNJHSA-N 239.293 -2.915 0 1 BAAF Nc1ncnc2[nH]c(C[C@H](O)CO)nc12 169324084 XSRISYJRBLFGBP-BYPYZUCNSA-N 209.209 -1.169 0 1 BAAF Nc1nc(O)c2c(n1)N[C@H](O)C(C(=O)O)=N2 169333102 QPSIBWMBLGKYOG-RXMQYKEDSA-N 225.164 -1.335 0 1 BAAF CS(=O)(=O)N[C@@H]1CO[C@H]2[C@H]1OC[C@H]2O 2356811570 BPLUMQZGUCIOJN-MVIOUDGNSA-N 223.250 -1.937 0 1 BAAF CC(C)=CCO[C@@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O 14590700 GQJQCKUJCHMTNF-MVCUBJFGSA-N 248.275 -1.231 0 1 BAAF endogenous,in-man Nc1c(NCCn2oc(=O)[nH]c2=O)c(=O)c1=O 100641451 MJVNCSHHLBOQGB-UHFFFAOYSA-N 240.175 -2.580 0 1 BAAF CC1=N[C@H]2[C@H](O[C@H](CO)[C@H](O)[C@@H]2O)S1 12503894 DRHXTSWSUAJOJZ-JAJWTYFOSA-N 219.262 -1.041 0 1 BAAF in-vitro O=C1NC(=O)[C@]2(N1)OC[C@@H](O)[C@H](O)[C@@H]2O 26673877 PDZNTHQHVRXWAP-BMOCKJADSA-N 218.165 -3.365 0 1 BAAF O=C1NC(=O)[C@@]2(N1)OC[C@@H](O)[C@H](O)[C@@H]2O 26725847 PDZNTHQHVRXWAP-SUXKVKKRSA-N 218.165 -3.365 0 1 BAAF O=C(O)CNCC[S@](=O)CP(=O)(O)O 28771169 NZOXAFWJLBMFSX-CQSZACIVSA-N 245.193 -1.456 0 1 BAAF NC(=O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@H]1O 238741443 FSNRRTMLCXJTBS-QXRNQMCJSA-N 241.203 -2.330 0 1 BAAF CO[C@@H]1O[C@H](COC(C)=O)[C@H](O)[C@H](O)[C@H]1O 13543095 PBSHTCWJMNLCFN-QMGXLNLGSA-N 236.220 -1.997 0 1 BAAF in-vitro C[C@H](N)[C@H]1N[C@H](CN)C(=O)N1CC(=O)O 38665061 MOTCYKZNVUEYFO-BFHQHQDPSA-N 216.241 -2.497 0 1 BAAF in-vitro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endogenous,in-vitro NC(=O)c1ncn(CO[C@H](CO)[C@@H](O)CF)n1 27737686 WJJNVRNCLLBYMR-NTSWFWBYSA-N 248.214 -1.958 0 1 BAAF CCCN1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO 28397368 DUKKBXHYYSHSAI-XSPKLOCKSA-N 205.254 -1.844 0 1 BAAF CC(=O)N[C@@H]1CN(C)[C@@H](CO)[C@@H](O)[C@@H]1O 145635900 VUPOCHJXEMUXQZ-BZNPZCIMSA-N 218.253 -2.481 0 1 BAAF N[C@H]1C[C@@H](N)[C@@H](O)C[C@H]1C(=O)N1CCNCC1 40476942 UQLAZUTVXXHDKL-RGOKHQFPSA-N 242.323 -2.156 0 1 BAAF CCOC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O 238754319 AFBSSPXUUHDFSU-HNEXDWKRSA-N 208.210 -2.177 0 1 BAAF Cn1nc(S(=O)(=O)N[N+](=O)[O-])sc1=N 1857621234 OQFKQLQOZGRVFT-UHFFFAOYSA-N 239.238 -1.569 0 1 BAAF CN(C)[C@@H]1[C@H]2CO[C@@H](O2)[C@@H](n2cncn2)[C@H]1O 2356294452 BOXKCXIJKSJBHG-ZJDVBMNYSA-N 240.263 -1.135 0 1 BAAF O=[P@@]1(O)C[C@@H]2[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]2O1 5851142 HSPMBPCIFXNUBY-YXVPSNDASA-N 240.148 -2.356 0 1 BAAF in-vitro C=C/C(=C\NC(=O)[C@@H](O)C[C@@H](N)C(=O)O)CO 14657643 VYDAYIZJJUOQMT-SLQBNDFVSA-N 244.247 -1.672 0 1 BAAF endogenous,in-man O=C(O)[C@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O 26834547 MTNHERCZHBRCJQ-GNFDWLABSA-N 208.166 -3.087 0 1 BAAF O=P(O)(O)OC[C@@H]1O[C@@H](O)[C@@H](O)[C@H]1F 40514649 JHQPJHSZTFXAMO-NEEWWZBLSA-N 232.100 -1.488 0 1 BAAF Nc1ncnc2[nH]c([C@@H](O)[C@H](O)CO)nc12 586887040 DBYDSCGRBJRMGZ-WUJLRWPWSA-N 225.208 -1.678 0 1 BAAF O=C(O)CC[C@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 169326042 KFIDFNNAPIOXSG-JDAIJKHESA-N 235.236 -2.733 0 1 BAAF O=C1NC(=O)[C@@H]2[C@@H]1[C@@H]1C=C[C@H]2[C@@H]2C(=O)NC(=O)[C@H]12 253705030 QTZADOOBSBOMLI-LXTFHKNLSA-N 246.222 -1.420 0 3 BAAF