smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features NC[C@H]1CC(=O)NO1 3647691 ZHCZZTNIHDWRNS-GSVOUGTGSA-N 116.120 -1.235 0 10 AAAE in-vivo C[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO 4403299 CCLARULDIPFTCP-FHKSGDNWSA-N 196.199 -3.197 0 10 AAAE O=C1C[C@H](O)[C@H]([C@H](O)CO)O1 13435545 WIKTYYPIOVPRBF-MRKVFDINSA-N 162.141 -1.984 0 10 AAAE N[C@H](C(=O)O)C(=O)C(=O)O 13533932 FIFRSHMESSHYAC-SFOWXEAESA-N 147.086 -1.948 0 10 AAAE CC(N)(N)C(=O)O 19331846 YSFQIJDACSFIOH-UHFFFAOYSA-N 104.109 -1.295 0 10 AAAE C[C@@H](N)[C@H](O)[C@H](O)P(=O)(O)O 29555423 STWQXQJYPZIGGN-FLRLBIABSA-N 185.116 -1.809 0 10 AAAE O=c1[nH]c(=O)n(CCO)c2nc[nH]c12 31561313 KSBIHRUISZUCSJ-UHFFFAOYSA-N 196.166 -1.595 0 10 AAAE CN1CCN(C[C@@H](O)CON)CC1 32008174 YQZMHFHUHGJGMS-MRVPVSSYSA-N 189.259 -1.515 0 10 AAAE O=C1C[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O1 32298567 CJMHDNWGGPSCQU-GFKUXRSRSA-N 174.152 -1.578 0 10 AAAE CCCCN1C(=O)[C@@H](O)[C@@H](O)C1=O 33944318 WSRKOIRZUJKVLL-OLQVQODUSA-N 187.195 -1.123 0 10 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CONC(=O)[C@@H](O)[C@H](O)C(=O)OC 308481851 NNODDWJIWXBGFO-IMJSIDKUSA-N 193.155 -2.441 0 10 AAAE Cn1nccc1C(=O)NC(CN)CN 324673398 LQKWORVNBRPFLV-UHFFFAOYSA-N 197.242 -1.564 0 10 AAAE CON(CCO)[C@@H](C)C(N)=O 379207494 BZRWRKNTHGLHAB-YFKPBYRVSA-N 162.189 -1.284 0 10 AAAE O[C@H]1CNC[C@@H]1N1CC2(COC2)C1 575518285 YIWOJBWFZZOMKK-YUMQZZPRSA-N 184.239 -1.349 0 10 AAAE O[C@@H]1CC[C@@H]1N[C@H]1COC[C@@H]1O 575542273 OLTROHWLLFNCBO-HSNKUXOKSA-N 173.212 -1.141 0 10 AAAE COC(=O)[C@H]1C(=O)NC2(COC2)C1=O 606272657 QPJUFJSFKSLKRR-SCSAIBSYSA-N 199.162 -1.757 0 10 AAAE CC1=C=C(C(=O)NCCN)NN1C 642811802 OKKXSKLHVSKQMK-UHFFFAOYSA-N 182.227 -1.102 0 10 AAAE CC1=C=C(N2NN=C=C2N)NN1C 642820810 CVNNPRQAUITRSP-UHFFFAOYSA-N 178.199 -1.015 0 10 AAAE Cn1nnc(C2=NO[C@H](CO)C2)n1 642849090 CZYXAJJFJOKZQA-BYPYZUCNSA-N 183.171 -1.305 0 10 AAAE C[C@@H]1C(=O)N(C)CN1CC(N)=O 646120764 JRVSJHZJGUZPNE-RXMQYKEDSA-N 171.200 -1.408 0 10 AAAE CNC(=O)C(=O)N[C@H]1CCCN(C)C1 671148720 KGWSTVBLGATGEH-ZETCQYMHSA-N 199.254 -1.057 0 10 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NC[C@H](O)[C@]1(C(=O)O)CCCCN1 1954816010 YCZNWSQLQFDNHA-XPUUQOCRSA-N 188.227 -1.097 0 10 AAAE CN([C@H](CN)C(=O)O)[C@@H]1[C@@H]2CNC[C@@H]21 1955873707 HGUDTZVBQRICKN-ULAWRXDQSA-N 199.254 -1.452 0 10 AAAE NOCC(=O)NCc1nccc(O)n1 1955962889 LNNQRHKSJFTAFO-UHFFFAOYSA-N 198.182 -1.311 0 10 AAAE NC(=O)[C@H](N)CN1CCN[C@@H]2CC[C@@H]21 1956637184 LRQPDSGZHPAGSJ-PRJMDXOYSA-N 198.270 -1.765 0 10 AAAE C[C@H](O)C(=O)N[C@H]1C[C@H]1CN 1973250395 ZVKHOFQFVOLZAE-ZLUOBGJFSA-N 158.201 -1.169 0 10 AAAE CO[C@H](CO)CNC(=O)[C@H](C)CO 2208656560 GCYFQKQTBYIIAB-RQJHMYQMSA-N 191.227 -1.262 0 10 AAAE N=C(N)N[C@@H]1CCC[C@H](O)[C@H]1O 2208979912 UFVWIHUPCCQCBY-SRQIZXRXSA-N 173.216 -1.256 0 10 AAAE C[C@H](N=c1ncn(C)[nH]1)[C@H](O)CO 2209200964 VHAOTUDTTCBKTJ-NTSWFWBYSA-N 186.215 -1.609 0 10 AAAE CON(C)C1CN(C[C@@H](N)CO)C1 2241790487 ZBSMCPGKHBUKDW-SSDOTTSWSA-N 189.259 -1.517 0 10 AAAE CNCC[C@H](O)C(=N)NO 2241958153 TWJNDRXFQABGIR-BYPYZUCNSA-N 147.178 -1.087 0 10 AAAE C[C@H](O)[C@H](N)C(=O)NC/C=C/CO 2242026803 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-1.064 0 10 AAAE CCCN1C[C@H](O)C(O)[C@@H](O)C1 38671655 WDFJVHBREQHZPA-BQBZGAKWSA-N 175.228 -1.205 0 10 AAAE COC(=O)[C@@]1(O)C[C@H](O)[C@H](CO)O1 38996466 RLJIUCKAMYGURM-KZLJYQGOSA-N 192.167 -2.010 0 10 AAAE NCC(=O)N[C@@H]1CN[C@@H](C(=O)O)C1 39083259 JBHZTXLPEVBTKO-CRCLSJGQSA-N 187.199 -2.124 0 10 AAAE C[C@H]1N[C@H](CO)[C@H](O)[C@H](O)[C@H]1O 39147905 ZEWFPWKROPWRKE-ULQPCXBYSA-N 177.200 -2.578 0 10 AAAE CNC(=O)CCN1CC[C@H](NC)C1=O 70560556 SEWPKAIYEWIWTJ-ZETCQYMHSA-N 199.254 -1.057 0 10 AAAE N[C@@H]1CCS(=O)(=O)C[C@@H]1O 82403443 BPNRHVLMYPKTSG-UHNVWZDZSA-N 165.214 -1.507 0 10 AAAE CC[C@@H](CN)C(=O)NC[C@@H](O)CO 85249564 WBQKBQWCSVRRDN-NKWVEPMBSA-N 190.243 -1.559 0 10 AAAE NCCCNC(=O)[C@H]1COC[C@H]1N 85373337 NYBYCHDBFYHEMH-NKWVEPMBSA-N 187.243 -1.575 0 10 AAAE CN[C@H]1COC[C@@H]1C(=O)NOC 85381871 ZPMDWCZRJWMPKY-WDSKDSINSA-N 174.200 -1.102 0 10 AAAE CC[C@@H]1C[C@H](O)[C@H](O)[C@H](CO)N1 85734908 QWEWPBRDYZVGBR-VGRMVHKJSA-N 175.228 -1.159 0 10 AAAE CN(CCO)S(=O)(=O)CCO 86551374 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O=C(O)[C@@H](CO)N(CCO)CCO 142931157 KDTAKBMHGZCEDT-ZCFIWIBFSA-N 193.199 -2.282 0 10 AAAE CNc1c(N)nc(N)[n+]([O-])c1N 146546747 GVFLASJLLSUNFG-UHFFFAOYSA-N 170.176 -1.497 0 10 AAAE O=C1O[C@H](CO)[C@@H]2O[C@H]12 147902722 YCVGIISIIBRFQH-UZBSEBFBSA-N 130.099 -1.329 0 10 AAAE CNC(=O)CCNC(=O)C(=O)OC 159250022 IKHPQNYQTKHDKP-UHFFFAOYSA-N 188.183 -1.588 0 10 AAAE CN(C)CCC(=O)N[C@@H]1CNC(=O)C1 169801013 FJXKDNJEDWKXLP-ZETCQYMHSA-N 199.254 -1.057 0 10 AAAE CNC(=O)Cc1nnnn1C 169858824 WVZAGYBOLLEBNT-UHFFFAOYSA-N 155.161 -1.501 0 10 AAAE CO[C@H]1O[C@@H](C)[C@](O)(CO)[C@H]1O 201027239 JYVLKUGUEZZSGM-ZTYPAOSTSA-N 178.184 -1.538 0 10 AAAE COCCNC(=O)Nc1nn[nH]n1 201302823 KNDKGOSICBKZSG-UHFFFAOYSA-N 186.175 -1.032 0 10 AAAE NC[C@H]1C[C@]1(N)C(=O)O 205020157 CJFVLJFPMWBKME-NQXXGFSBSA-N 130.147 -1.253 0 10 AAAE C[C@@H]1OC(=O)[C@@H](N)[C@@H]1O 211993863 VKMDBTAHGSBCND-YVZJFKFKSA-N 131.131 -1.380 0 10 AAAE NCCCN1C[C@@H](C(N)=O)CC1=O 213197823 GCVBISKDXNFPIR-LURJTMIESA-N 185.227 -1.331 0 10 AAAE C[C@H](CNN1CCOCC1)C(N)=O 215064351 UUVZDDBQVAWDMU-SSDOTTSWSA-N 187.243 -1.055 0 10 AAAE NC(=O)[C@@H]1CC(=O)N2CCNC[C@H]12 215324779 HSGBIRSIPPKDQA-PHDIDXHHSA-N 183.211 -1.708 0 10 AAAE NC(=O)[C@@H]1CCNNC1=O 221917823 QMSACAIMBWYUAU-VKHMYHEASA-N 143.146 -1.888 0 10 AAAE O=C(C1CNC1)N1C[C@@H]2C[C@H](C1)N2 222124850 QMCGRKPABDSPQE-OCAPTIKFSA-N 181.239 -1.222 0 10 AAAE NCC[C@@H](O)[C@H](O)C(=O)CO 225773122 MIZTVBGWRZWFEW-XINAWCOVSA-N 163.173 -2.382 0 10 AAAE O=C(CNC1CC1)N1CC(O)C1 226690224 NQGIBONMRAEMKH-UHFFFAOYSA-N 170.212 -1.059 0 10 AAAE C[C@H](O)CNCCn1cn[nH]c1=O 230395488 MUZWPIXEJOMTGB-LURJTMIESA-N 186.215 -1.458 0 10 AAAE COC[C@@H](CNC[C@H](O)CO)OC 234698301 JITAWSMQGPCSDH-JGVFFNPUSA-N 193.243 -1.409 0 10 AAAE C[C@H]1CN(C[C@@H](O)CO)C[C@@H]1N 235606699 CCDDASFLSMRVNO-RNJXMRFFSA-N 174.244 -1.381 0 10 AAAE CC(=O)OC[C@H](NC=O)C(=O)O 238164000 ZCZVZUCJEGQZHY-YFKPBYRVSA-N 175.140 -1.251 0 10 AAAE NC(=O)C1[C@@H](C(N)=O)CC[C@@H]1C(N)=O 238629514 QUQPVMYSNZYNIA-IMJSIDKUSA-N 199.210 -1.915 0 10 AAAE N[C@H]1C[C@@H](O)O[C@@H](CO)[C@@H]1O 238649723 NNUWRNMLTQBEBK-OMMKOOBNSA-N 163.173 -2.226 0 10 AAAE CN1C[C@@H]2[C@@H](O)CN[C@H]2C1 250628463 QPOGLYOFJHIRHU-ACZMJKKPSA-N 142.202 -1.119 0 10 AAAE N[C@@H]1C[C@@H](O)[C@H]2CO[C@H]1O2 256070232 NBAPGZDAIXGGKY-KAZBKCHUSA-N 145.158 -1.180 0 10 AAAE CO[C@H]1[C@H](O)[C@H](CO)O[C@@H](O)[C@H]1N 257594381 WEGAZRQPNJDIJL-PAMBMQIZSA-N 193.199 -2.601 0 10 AAAE N[C@@H](CN1CCNCC1)[C@H]1CCNC1 258000248 DTBOMYAVNFTDEJ-UWVGGRQHSA-N 198.314 -1.172 0 10 AAAE COC(=O)[C@@H](N)c1nc2n(n1)CCO2 260488629 PJZXRJXIRSOZIF-BYPYZUCNSA-N 198.182 -1.157 0 10 AAAE N[C@]12C(=O)O[C@H]([C@H]1O)[C@H](O)[C@H]2O 263589790 RSYKIKAAVPPJOK-URDJKYRMSA-N 175.140 -3.294 0 10 AAAE C[C@H]1NC(=O)N([C@H](C)C(N)=O)C1=O 306154062 BIIDRGWNULVDSF-QWWZWVQMSA-N 185.183 -1.200 0 10 AAAE Cn1ncc(C(=O)NCC(N)=O)n1 306317822 HLZYVEQBDSEESK-UHFFFAOYSA-N 183.171 -1.970 0 10 AAAE NC[C@@H]1[C@H](O)[C@H](O)[C@H]2[C@@H](O)CCN12 306374973 RTYGUSZVNGAYPW-RZUNNTJFSA-N 188.227 -2.516 0 10 AAAE N[C@@H]1C[C@H](OCCO)[C@H](O)[C@H]1O 306447333 DQRKNKYKLOMDMS-BWBBJGPYSA-N 177.200 -2.183 0 10 AAAE C[C@H](CO)N1CCO[C@@H](C(N)=O)C1 306463229 ATVDNNVWZZPOMZ-RNFRBKRXSA-N 188.227 -1.447 0 10 AAAE O[C@H]1COC[C@@H](O)[C@H](O)[C@H]1O 306569498 LCIHASAGSYKLPC-FSIIMWSLSA-N 164.157 -2.540 0 10 AAAE CC(=O)N[C@@H]1C(=O)N[C@@H](N)N[C@@H]1O 306776445 YUEDKSOBJHRBCQ-RPDRRWSUSA-N 188.187 -3.229 0 10 AAAE O=C1C[C@@H](CNC(=O)C2CNC2)CN1 306785508 UANPHMQTOSYJAT-ZCFIWIBFSA-N 197.238 -1.542 0 10 AAAE CO[C@@H]1OC[C@H](O)[C@H](O)[C@H]1C(N)=O 306834767 RUJKDLNBLCJSBH-DRMQKGJZSA-N 191.183 -2.188 0 10 AAAE C[C@H](N)[C@H](O)[C@H](O)P(=O)(O)O 306903875 STWQXQJYPZIGGN-YVZJFKFKSA-N 185.116 -1.809 0 10 AAAE Nc1cnc(N[C@@H]2CONC2=O)cn1 307426397 GBRGVEKVHDUECC-SCSAIBSYSA-N 195.182 -1.099 0 10 AAAE CN(C(N)=O)c1nnnn1C 307597299 NRCMEKKTOWNUFD-UHFFFAOYSA-N 156.149 -1.275 0 10 AAAE C[C@H](O)C[C@H](O)[C@H](O)C(=O)O 307656862 RADXXSNGCSTPSV-YUPRTTJUSA-N 164.157 -1.436 0 10 AAAE C[C@H](O)C(=O)NCC(=O)NCCF 308286334 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192.190 -1.102 0 10 AAAE COCCN[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 1954830446 SXUFZRLZOVETIY-VGRMVHKJSA-N 191.227 -1.923 0 10 AAAE OC[C@@H]1CNCCN1c1nnco1 1954883281 NBWDACBQYJOSRQ-LURJTMIESA-N 184.199 -1.160 0 10 AAAE Cn1nnc(N2C[C@@H]3C[C@H](C2)C3N)n1 1955867858 HDEVFCLONZPGAF-MEKDEQNOSA-N 194.242 -1.007 0 10 AAAE NC[C@H](C(=O)O)N1C[C@H]2CC[C@]2(N)C1 1955876152 CVPVPICKBSUCKA-BHNWBGBOSA-N 199.254 -1.179 0 10 AAAE C[C@H](CO)N1C[C@@H]2C(=O)NC(=O)[C@H]2C1 1956262983 CAKFFGNBOZALIP-VQVTYTSYSA-N 198.222 -1.428 0 10 AAAE CCOC1(CO)CN(c2nn[nH]n2)C1 1957014953 UARAOSGZIRUDTN-UHFFFAOYSA-N 199.214 -1.213 0 10 AAAE O=C1C[C@@H](N[C@@H]2[C@H]3COC[C@H]32)C(=O)N1 1957278337 BECRGPXQVUTAJG-FUYZFFOTSA-N 196.206 -1.364 0 10 AAAE COCC[C@H](N)CNC(=O)C(=O)O 2209157250 FGWMRLLEPMJGKO-YFKPBYRVSA-N 190.199 -1.449 0 10 AAAE OCC(CO)NCCn1ncnn1 2209379410 QNXJHOCRMRGGLE-UHFFFAOYSA-N 187.203 -2.384 0 10 AAAE N=c1nnc(N2CCC23CNC3)n[nH]1 2209553380 DHDIPLRXGCYPCS-UHFFFAOYSA-N 193.214 -1.769 0 10 AAAE C[C@H](Oc1nnc(=N)[nH]n1)[C@@H]1CCN1 2209556124 OGMKSSNQMIQLMX-WHFBIAKZSA-N 196.214 -1.192 0 10 AAAE Cn1cn[nH]c1=NC[C@H]1CCC(=O)N1 2209800316 KOKMUVNNRXZNMA-ZCFIWIBFSA-N 195.226 -1.073 0 10 AAAE Cn1cn[nH]c1=NCCn1ccnn1 2209800703 PAEFABGJYOLBRZ-UHFFFAOYSA-N 193.214 -1.059 0 10 AAAE NCCN1C[C@H](O)CC[C@@H]1C(=O)O 2241243616 VRODBTSICKCNLA-RNFRBKRXSA-N 188.227 -1.145 0 10 AAAE NC(=O)C1CN(C[C@H](N)CO)C1 2241779431 VMUMBRQMFUYPNX-LURJTMIESA-N 173.216 -2.277 0 10 AAAE CO[C@@H](CO)CNCCCN 2242422729 XNNBGDXOOXMOSY-SSDOTTSWSA-N 162.233 -1.068 0 10 AAAE CC(=O)[C@@H](O)[C@@H](O)CO 3869508 IGUZJYCAXLYZEE-CRCLSJGQSA-N 134.131 -1.711 0 10 AAAE in-vitro CN(C=O)C[C@H]1C[C@@H](O)NC1=O 5084616 ZJEGIUNRGFWGHL-PHDIDXHHSA-N 172.184 -1.471 0 10 AAAE N=C(O)NC[C@H](O)C[C@H](N)C(=O)O 14446138 WSFLFFUIEVIDJY-DMTCNVIQSA-N 191.187 -1.768 0 10 AAAE endogenous,in-man O[C@H]1C=NC[C@H]1O 28820315 RTVUDPFAUMGQAC-IUYQGCFVSA-N 101.105 -1.207 0 10 AAAE Nc1nc(=O)c2c(ncn2O)[nH]1 31302374 PIIRLHSJVLBMJN-UHFFFAOYSA-N 167.128 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O=C1C[C@H](N2CCC[C@H](O)C2)C(=O)N1 227370368 RHRAVCVFKNWXQD-BQBZGAKWSA-N 198.222 -1.142 0 10 AAAE COC[C@@H](CCO)NC[C@H](O)CO 228340946 CJGKCFVHGRYINK-SFYZADRCSA-N 193.243 -1.673 0 10 AAAE NC(=O)CN[C@H]1CNC(=O)C1 229136589 JWVOTWMLXUKOCS-SCSAIBSYSA-N 157.173 -2.050 0 10 AAAE CN(C)C(=O)CNC[C@@H](N)C(N)=O 232448567 YHPUHGXKWAGAFQ-RXMQYKEDSA-N 188.231 -2.523 0 10 AAAE CC[C@@H](COC)NC[C@@H](N)C(N)=O 233879466 XQFUAOUSDANECX-NKWVEPMBSA-N 189.259 -1.186 0 10 AAAE Nc1nnc(N2CCCNC(=O)C2)o1 236375673 IEPQGQOCFNYNTP-UHFFFAOYSA-N 197.198 -1.022 0 10 AAAE O[C@@H]1CN(CCF)C[C@H]1O 236541824 VITKYXUUGKPRIQ-PHDIDXHHSA-N 149.165 -1.007 0 10 AAAE CC[C@@H]1[C@@H](N)C(=O)N1C1NNNN1 238295976 NRWYRKKKZNMTHE-QWWZWVQMSA-N 186.219 -2.665 0 10 AAAE NC(=O)[C@H]1C(=O)NC(=O)[C@@H]1C(N)=O 238540734 JNYFPBJWYXVLTM-LWMBPPNESA-N 185.139 -3.154 0 10 AAAE CNC(=O)c1nn[nH]c1C(=O)O 257859764 BUUCKBMSEIVTPS-UHFFFAOYSA-N 170.128 -1.138 0 10 AAAE OC[C@@H]1O[C@H](NO)[C@H](O)[C@@H](O)[C@H]1O 299814506 KXJMZHQGEGAKAK-XKTQNOIPSA-N 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-2.304 0 10 AAAE NC(=O)C[C@H](N)C(=O)N1C[C@H]2C[C@@H]2C1 379550485 OGOGSVNJDVMWKW-QYNIQEEDSA-N 197.238 -1.333 0 10 AAAE NC[C@H](O)CNC(=O)NC1CC1 382464727 FUSFOPWZCSBBPI-LURJTMIESA-N 173.216 -1.232 0 10 AAAE CN(C)C1CN(C[C@@H](O)CO)C1 382629674 KGCGZHFAISCVAS-MRVPVSSYSA-N 174.244 -1.415 0 10 AAAE CCO[C@@H](C)C(=O)NC[C@@H](O)CO 388617359 FYOIVBPOFCZWHE-NKWVEPMBSA-N 191.227 -1.119 0 10 AAAE COC(=O)CCNCc1nnnn1C 389382690 MHSNONADNFLHEE-UHFFFAOYSA-N 199.214 -1.137 0 10 AAAE NN[C@H](CCCNC(N)=O)C(=O)O 393555712 RGNGKCIRTODLGR-SCSAIBSYSA-N 190.203 -1.649 0 10 AAAE N[C@@H]1CCN([C@H]2CCNC2=O)C1=O 575525964 MMYDDLYXBDMQSK-RITPCOANSA-N 183.211 -1.566 0 10 AAAE O=C(O)[C@@H]1CN[C@H]2C(=O)NC[C@@H]2C1 584880436 BUVGELYJIRATLH-HCWXCVPCSA-N 184.195 -1.205 0 10 AAAE C[C@@H]1CN(N)CCS1(=O)=O 606249628 MRJPJXCDDJUNSR-RXMQYKEDSA-N 164.230 -1.021 0 10 AAAE CN1CCN([C@@H]2CNCC[C@H]2O)CC1 675060951 SJCCMVRHNDPJAV-NXEZZACHSA-N 199.298 -1.043 0 10 AAAE NC(=O)C(N/C=C/C(=O)O)C(N)=O 695352582 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CN1C(=O)N[C@H]2CN(C(=N)N)CC[C@H]21 1956855750 PSXSQCSKLFORTB-NTSWFWBYSA-N 197.242 -1.022 0 10 AAAE N=c1nc[nH]c(=NCC2(CN)CC2)[nH]1 1957120666 GBXGACGKJPBOGM-UHFFFAOYSA-N 194.242 -1.143 0 10 AAAE N=c1[nH]c(N)cc(=N[C@@H]2CNOC2)[nH]1 1957124890 VHVVEILJXRWGBN-SCSAIBSYSA-N 196.214 -1.791 0 10 AAAE Cn1cc(CCNC(=O)CCO)nn1 1971339341 RXFMWFOQGPOWAP-UHFFFAOYSA-N 198.226 -1.144 0 10 AAAE CC(=O)NCCC(=O)N[C@@H]1C[C@@H]1CN 1973222310 NHXAWLPXSOQSNB-HTQZYQBOSA-N 199.254 -1.024 0 10 AAAE C[C@@H](CO)C(=O)N1CC(O)(CO)C1 2208555234 FESMRVTUWLTZAA-LURJTMIESA-N 189.211 -1.820 0 10 AAAE C[C@@H](O)CCN=c1nnn(C)[nH]1 2209012198 HPKAWZNBXRWLFQ-RXMQYKEDSA-N 171.204 -1.185 0 10 AAAE N#CN1C[C@@H]2CN[C@@H](CO)[C@@H]2C1 2209029486 YUPXCWNCDLGVQR-RNJXMRFFSA-N 167.212 -1.020 0 10 AAAE N[C@H]1CC(=O)N(OC[C@H](O)CF)C1 2209399542 NRKUVPKFRNHZGW-NTSWFWBYSA-N 192.190 -1.192 0 10 AAAE CCCOCCN=c1nnc(=N)[nH][nH]1 2209555457 DZUFSMLCYGLCME-UHFFFAOYSA-N 198.230 -1.060 0 10 AAAE COCCN[C@@](CN)(CF)C(N)=O 2241267463 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CKTSPAXEVIBYFI-KLVWXMOXSA-N 149.146 -2.616 0 10 AAAE O=[S@@](O)C1NCCN1 104702709 FCRMHMVGJJQLTI-UHFFFAOYSA-N 136.176 -1.316 0 10 AAAE NCCN1CCN(C(=O)CO)CC1 108299481 LXOQZVPHQXEMFS-UHFFFAOYSA-N 187.243 -1.918 0 10 AAAE CC(=O)CN1CC(=O)OCC1=O 108333536 UQHLMOSHVIKPGD-UHFFFAOYSA-N 171.152 -1.039 0 10 AAAE NC(=O)C[C@H](O)[C@@H](N)C(=O)O 118508104 JNFVXFXEIGUSBZ-ZAFYKAAXSA-N 162.145 -2.365 0 10 AAAE CN1CCN(CCN2CC(N)C2)CC1 125924656 QZJWVDLCMNYEHE-UHFFFAOYSA-N 198.314 -1.123 0 10 AAAE O=C1C[C@H](NC2(CO)CCC2)C(=O)N1 129446359 DQPZQMFHZBVQKU-LURJTMIESA-N 198.222 -1.094 0 10 AAAE C[C@H](CC(N)=O)NC(=O)CCN 133376824 SPYFSRCDXRBRJY-RXMQYKEDSA-N 173.216 -1.285 0 10 AAAE CCOC(=O)[C@@H]1NCCNC1=O 141177080 ZKOISRHCVSJELS-RXMQYKEDSA-N 172.184 -1.363 0 10 AAAE COC[C@H](C)[C@@H](O)[C@H](N)CO 163834632 MCKHEYAFEYOVQL-RRKCRQDMSA-N 163.217 -1.051 0 10 AAAE CN1C(=O)C(N)=C(C(N)=S)C1=O 164047312 BSVVJIYZMQYPKU-UHFFFAOYSA-N 185.208 -1.516 0 10 AAAE CNCC(=O)O[C@@H](C)[C@@H](N)C(=O)O 164790051 XIMLGOHTXVOGDW-UJURSFKZSA-N 190.199 -1.451 0 10 AAAE CN[C@@H](CCOC1COC1)C(N)=O 165668168 KLIBKPSUBSUOLB-ZETCQYMHSA-N 188.227 -1.135 0 10 AAAE CN(C1CNC1)S(N)(=O)=O 167527877 HZFGKZAOXZCFDW-UHFFFAOYSA-N 165.218 -1.907 0 10 AAAE CN1CC[C@H](NOCC(N)=O)C1=O 168057808 GBKODGNLXHJGCE-YFKPBYRVSA-N 187.199 -1.776 0 10 AAAE NCC(=O)NC(=O)/C=C/C(=O)O 169007209 KSSAIIIFMFDXHW-OWOJBTEDSA-N 172.140 -1.771 0 10 AAAE OC[C@H]1O[C@@](O)(CF)C[C@@H](O)[C@@H]1O 200616661 WMGTUPVTFCVXFN-MVIOUDGNSA-N 196.174 -1.853 0 10 AAAE N[C@@H](CO)C1=CC(=O)NC1=O 215010973 BPKMGHAZYVCCJR-BYPYZUCNSA-N 156.141 -2.111 0 10 AAAE CN1CC[C@@H](N2CCNC[C@@H]2CO)C1 215190617 LXPFWSSJXFSANC-NXEZZACHSA-N 199.298 -1.043 0 10 AAAE NC(=O)CC1(O)CNC1 215365678 DNYPOJYXXUDEHT-UHFFFAOYSA-N 130.147 -1.804 0 10 AAAE CC(=O)N1CC[C@@H](O)[C@@H]1C(N)=O 216347077 QANVOGCAIHKWBE-PHDIDXHHSA-N 172.184 -1.547 0 10 AAAE NC1C[C@@H]2C(=O)NC(=O)[C@H]2C1 219226885 CYUAXGVGRXJBHR-WHFBIAKZSA-N 154.169 -1.004 0 10 AAAE NC[C@@H](O)[C@@H](O)[C@@H](O)CC(=O)O 219815780 HATIHIDOVKQOFH-RPDRRWSUSA-N 179.172 -2.498 0 10 AAAE NC1=NC(=O)C(=O)N1 228068667 LJNPGDUZKWVTLX-UHFFFAOYSA-N 113.076 -2.043 0 10 AAAE Cn1cc(N)c(NC[C@@H](O)CO)n1 231660259 UVRXBGMRYBHDQO-RXMQYKEDSA-N 186.215 -1.233 0 10 AAAE O=C(O)/C=C/N[C@@H]1CCC(=O)NC1=O 236444280 DMXSHJKNNLWANG-QLSVQJPWSA-N 198.178 -1.021 0 10 AAAE CC(=O)N[C@H]1CC(=O)N[C@H]1O 238142719 BBJYNPRRYRRHHF-NJGYIYPDSA-N 158.157 -1.671 0 10 AAAE O=C(O)[C@H]1C(=O)N[C@@H]2CC(=O)N21 238637139 CYFQWRHXKQLPKF-ZAFYKAAXSA-N 170.124 -1.872 0 10 AAAE OC[C@H](O)[C@@H]1CNC[C@@H]1O 238711489 KIVMAVVILWSSFZ-SRQIZXRXSA-N 147.174 -2.080 0 10 AAAE CN1CCC(O)(CNN)CC1 258592690 UGCARNHNRZIMSG-UHFFFAOYSA-N 159.233 -1.094 0 10 AAAE OC[C@@H]1Cc2nc[nH]c2[C@@H](CO)N1 259528028 AXILUMDGUSMUHS-CAHLUQPWSA-N 183.211 -1.050 0 10 AAAE COC(=O)[C@@H]1[C@@H]2CN(CCO)C(=O)[C@H]21 261315166 BJNHIYSDVXNKAO-FSDSQADBSA-N 199.206 -1.144 0 10 AAAE COCC[C@H](CO)NC(=O)CCN 300942474 WHEZBXCPIFBSPH-SSDOTTSWSA-N 190.243 -1.151 0 10 AAAE C[C@H](O)[C@H](O)Cn1cccnc1=O 306188602 ONWZOMWZMHENGH-NKWVEPMBSA-N 184.195 -1.015 0 10 AAAE NC[C@@]12CNC[C@@H](O1)[C@H](O)[C@H]2O 306325236 RVHMVGCQNIHICK-UCROKIRRSA-N 174.200 -2.592 0 10 AAAE NS(=O)(=O)N[C@H]1CCC[C@@H]1O 306389112 WHLRXPPTMBFVSO-WHFBIAKZSA-N 180.229 -1.307 0 10 AAAE C=CO[C@@H]1[C@H]2CO[C@@H](O2)[C@H](O)[C@H]1O 306414763 OXPZJRQXVZOSNF-PVFLNQBWSA-N 188.179 -1.008 0 10 AAAE CO[C@@H]1[C@H](CN)OCO[C@@H]1CN 306430932 HZLGSWWOTZKFCF-ZMONIFLSSA-N 176.216 -1.340 0 10 AAAE CCC(=O)N1C[C@H](O)[C@H](O)[C@H]1CO 306439809 PAOHKTFCABKCET-GKROBHDKSA-N 189.211 -1.679 0 10 AAAE OC[C@@H]1C[C@H](O)[C@@H]2O[C@H]2[C@@H]1O 306463077 KYDJMRSGKDFODQ-ZYNSJIGGSA-N 160.169 -1.512 0 10 AAAE C[C@@H]1NC(=O)[C@H](CO)[C@H](CO)[C@@H]1O 306481500 NXRYLPAYSUANIU-VWDOSNQTSA-N 189.211 -1.917 0 10 AAAE O[C@@H]1O[C@H]2[C@H](O)O[C@@H]([C@H]1O)[C@H]2O 306516421 XZJSCUUFRPQQEQ-CTBIGQHSSA-N 178.140 -2.857 0 10 AAAE O[C@@H]1[C@H](O)[C@H]2C=C[C@H]1[C@@H](O)[C@@H]2O 306545285 DKJQBYBRVZYWTC-IIKNFUEMSA-N 172.180 -1.754 0 10 AAAE OC[C@@H](O)[C@H]1CNC[C@@H](O)[C@@H](O)C1 306601072 AIBICVXEZVRTPE-ULAWRXDQSA-N 191.227 -2.329 0 10 AAAE N[C@@H]1[C@H]2C[C@H]1N([C@H]1COC[C@H]1O)C2 306665274 XZVKGKYNFXZBLT-KVEIKIFDSA-N 184.239 -1.223 0 10 AAAE C[C@H](O)[C@H](N)CN[S@@](C)=O 306806190 IYZOUVQCUTURJJ-LBACSGLVSA-N 166.246 -1.422 0 10 AAAE N=C(N)NC[C@H]1CN2CCCN1CC2 306837511 WCAFWUBPDFOMBK-QMMMGPOBSA-N 197.286 -1.141 0 10 AAAE CS(=O)(=O)N1C[C@H](N)[C@H](O)C1 307092065 RPXOWCKZDQXOPP-CRCLSJGQSA-N 180.229 -2.050 0 10 AAAE O[C@@H]1COC[C@@H]1N1C[C@@H](O)[C@H](O)C1 307101405 HRANHGSMRUZHFZ-LXGUWJNJSA-N 189.211 -2.217 0 10 AAAE NC(=O)[C@@H]1[C@H]2C[C@H]3[C@@H](C2=O)[C@]31C(N)=O 307446225 WJNBJWNJZQZREI-DSYKXORRSA-N 194.190 -1.592 0 10 AAAE N[C@@H](C(=O)O)C1=C[C@H](O)NO1 307527224 KIQFGBNJEYFZQE-IUYQGCFVSA-N 160.129 -1.865 0 10 AAAE C[C@@H](O)CN1C=N[C@H]2C(N)=NC=N[C@H]21 307532492 YWOHTKQZGMLQAZ-CHKWXVPMSA-N 195.226 -1.195 0 10 AAAE CS(=O)(=O)NC(=O)C1COC1 307555535 NPGXDZUXPZFLDG-UHFFFAOYSA-N 179.197 -1.291 0 10 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-1.345 0 10 AAAE O=C1C[C@H](O)[C@@H](O)[C@@H](CO)N1 238723977 SXQSVIKTOQHXAA-IWGUZYHVSA-N 161.157 -2.411 0 10 AAAE Cn1cnc2c1[C@@H](CO)N[C@H](CO)C2 258044767 JMSVZKKHECUTDC-POYBYMJQSA-N 197.238 -1.040 0 10 AAAE NC[C@@H]1CS(=O)(=O)C[C@@H]1C(=O)O 259588171 DWYIGNNTHJVSDN-UHNVWZDZSA-N 193.224 -1.310 0 10 AAAE COC(=O)CN1C[C@@H](CN)OC1=O 260162417 OEKALTBCSBMKBL-RXMQYKEDSA-N 188.183 -1.061 0 10 AAAE CC1=C[C@H](N)[C@H](O)[C@@H](O)[C@H]1O 261184547 WZWBJSCSPMLHKQ-AXMZGBSTSA-N 159.185 -1.644 0 10 AAAE COC(=O)[C@H](CN)OC1COC1 301026709 PRRWHHWPUJWWSZ-LURJTMIESA-N 175.184 -1.098 0 10 AAAE C[C@H]1NC(=O)[C@@H](O)NC1=O 306152439 AYKUPULYPYYHKT-DUZGATOHSA-N 144.130 -2.061 0 10 AAAE CC(=O)NC[C@H](C)S(N)(=O)=O 306297670 XIOJBLOAHLPRDR-BYPYZUCNSA-N 180.229 -1.201 0 10 AAAE O[C@@H]1[C@H](O)[C@H]2OCCN2C[C@H]1O 306450840 QOFVOEQWVWDZSI-JRTVQGFMSA-N 175.184 -2.259 0 10 AAAE O=[S@@]1C[C@@H](O)[C@@H](O)C1 306482793 NSVLVHKWTAPUSU-KIGHRTHISA-N 136.172 -1.530 0 10 AAAE C[C@H]1C[C@H](O)CN(S(N)(=O)=O)C1 306629084 CDAJKJXCPBXRML-WDSKDSINSA-N 194.256 -1.107 0 10 AAAE CNC(=O)CC(=O)N[C@@H]1CC[C@H]1O 306683190 UXEKLZALLCAKGD-PHDIDXHHSA-N 186.211 -1.238 0 10 AAAE C[C@H]1CC[C@]2(CN1)NCC(=O)NC2=O 306875812 BGIAMDVCZZTQLA-IMTBSYHQSA-N 197.238 -1.257 0 10 AAAE Nc1ncnc(NCc2nnn[nH]2)n1 306900831 MRXLBDXFOJWISM-UHFFFAOYSA-N 193.174 -1.421 0 10 AAAE OC[C@H]1O[C@H](O)C(O)(O)[C@H](O)[C@@H]1O 306969400 PMERZXRYEPRZBF-AIHAYLRMSA-N 196.155 -3.901 0 10 AAAE C[C@@](N)(C(N)=O)[C@H]1[C@H]2CN[C@H]1C2 307024328 YPFRGUGLWOACLF-LKXGYXEUSA-N 169.228 -1.203 0 10 AAAE NCC(=O)NCC1CNC1 307081443 TVSUYYXUPOAJRE-UHFFFAOYSA-N 143.190 -1.719 0 10 AAAE O=C1C[C@H]2O[C@@H](O)[C@H](O)[C@H]2O1 307229391 ZPFZPWZUNYGPBE-DWHNIHCWSA-N 160.125 -1.620 0 10 AAAE CO[C@@H]1CN[C@@H]2[C@H](O)CO[C@@H]12 307271860 CIWOUYXYGLPHMK-GBNDHIKLSA-N 159.185 -1.267 0 10 AAAE CN[C@H](C)C(=O)N[C@H]1CONC1=O 307344520 ZKKGXAAOXIAMAN-UHNVWZDZSA-N 187.199 -1.860 0 10 AAAE OC[C@H]1O[C@H](F)[C@H](F)[C@@H](O)[C@H]1O 307420055 YZRDPODBASCWCK-DVKNGEFBSA-N 184.138 -1.267 0 10 AAAE CO[C@H]1[C@@H]2O[C@H]2[C@@H](O)[C@@H](O)[C@H]1O 307428057 ZZFXHPYMGJJZKZ-OPTWKVKHSA-N 176.168 -2.135 0 10 AAAE NCCNC[C@@H]1CNC(=O)C1 307703338 RAYFAJSVODTCMG-ZCFIWIBFSA-N 157.217 -1.329 0 10 AAAE OC[C@@H]1[C@H](O)[C@@H](O)[C@H](O)C12CC2 307739421 YSFLXIXZOPVHOK-UCROKIRRSA-N 174.196 -1.529 0 10 AAAE C[C@H](O)C(=O)NCCNC(N)=O 308138120 FPOVUPBYFVXPNZ-BYPYZUCNSA-N 175.188 -1.848 0 10 AAAE O=C(Cn1cnnn1)OCCCO 308155796 AOWZFBBYRJLSQS-UHFFFAOYSA-N 186.171 -1.401 0 10 AAAE COC[C@@H](O)[C@@H](O)[C@H](O)C(=O)O 379296086 DJQLRCBUDAKBFO-WDCZJNDASA-N 180.156 -2.200 0 10 AAAE CN(C)CCCNC[C@H](O)C(=O)O 379350820 VDWFSHQWDTXDNG-ZETCQYMHSA-N 190.243 -1.027 0 10 AAAE NC(=O)CCN(CC(N)=O)C1CC1 379376125 RXYXDEFFOYWOIY-UHFFFAOYSA-N 185.227 -1.189 0 10 AAAE NC(=O)[C@H](O)CNC/C=C\C(=O)O 388116109 AWIUYFTVGCQVJL-HVBDUXJMSA-N 188.183 -1.937 0 10 AAAE CNC(=O)C[C@@H](C)N(C)CC(N)=O 388283751 OLHRWURZYBEPEZ-ZCFIWIBFSA-N 187.243 -1.072 0 10 AAAE CCN(C)C(=O)N[C@@H](CO)C(N)=O 388794771 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CN[C@@](C)(C(N)=O)[C@@H]1CNCCO1 711053220 YQALBRSTHFZPFV-POYBYMJQSA-N 187.243 -1.562 0 10 AAAE N[C@H](CO)c1cn([C@H]2CC[C@@H]2O)nn1 718142094 VUYPATSLUHAHLY-DTLFHODZSA-N 198.226 -1.034 0 10 AAAE NOCC(=O)N1CC(CO)(CO)C1 721414166 MNBJDKNJSOIERL-UHFFFAOYSA-N 190.199 -2.310 0 10 AAAE NC(=O)CC[S@@](=O)C[C@H]1CCN1 722121869 IGEGUNRCANQFBC-SREIQFSDSA-N 190.268 -1.028 0 10 AAAE CO[C@H]1CC[C@H]1NS(N)(=O)=O 724435050 XADSSLPJIJVNTM-UHNVWZDZSA-N 180.229 -1.043 0 10 AAAE NS(=O)(=O)NC[C@H]1CCN1 724994289 XCAWOWWAXVFDHI-SCSAIBSYSA-N 165.218 -1.859 0 10 AAAE CN[C@@H](C1=C=C=[C]N1)C1=NN(C)NN1 885206494 LZZDOENABAKQSA-ZETCQYMHSA-N 191.218 -1.600 0 10 AAAE Cc1noc([C@H]2CNC(=O)[C@@H]2N)n1 885405333 UIGLMKCGRYGNQF-CRCLSJGQSA-N 182.183 -1.081 0 10 AAAE C[C@@H](N)CC1=C=[N+](C2COC2)NN1 885411710 NBVKQGYVWBXHGY-ZCFIWIBFSA-N 183.235 -1.289 0 10 AAAE C[N+]1=C=C(CN[C@@H]2CCCNC2)NN1 885786104 CATRXDHYVYPMRT-MRVPVSSYSA-N 196.278 -1.453 0 10 AAAE CNC[C@@H]1CCO[C@H]1C1=C=[N+](C)NN1 885816914 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CN(C)C[C@H](O)[C@@H](O)CO 238323912 WDHWZFFAMGIDCA-WDSKDSINSA-N 149.190 -1.738 0 10 AAAE C[C@H](F)[C@H](O)[C@@H](O)C(=O)CO 238449945 WHPXYWJGLXEHAQ-FUTKDDECSA-N 166.148 -1.372 0 10 AAAE NC[C@]1(O)CCCNC1=O 238582747 NTZBGNUBUFSNNT-ZCFIWIBFSA-N 144.174 -1.414 0 10 AAAE NC[C@H]1COCC(=O)N1[C@@H]1CCNC1 258042471 HYGUHRLDRSJMQO-SFYZADRCSA-N 199.254 -1.466 0 10 AAAE CNC[C@H](O)C[S@](=O)CC(N)=O 300790094 XTCZVHLLOJTDAV-UJOLQPBBSA-N 194.256 -2.199 0 10 AAAE NC[C@H](NCC1CC(O)C1)C(=O)O 301041704 WQLAYXHKIIKVCX-AHXFUIDQSA-N 188.227 -1.241 0 10 AAAE CNC(=O)C[C@@H]1N[C@@H](C)C(=O)NC1=O 306225721 BQNXMFHVVVBSOG-WHFBIAKZSA-N 199.210 -1.874 0 10 AAAE O=C1C[C@H](NC(=O)[C@H]2CCO2)CN1 306354030 BQFUNOYAHPJJQL-NTSWFWBYSA-N 184.195 -1.220 0 10 AAAE O=C1O[C@H](O)[C@@H](O)C1(F)F 306577578 VOAJMTBBLLWWOG-NCGGTJAESA-N 154.068 -1.142 0 10 AAAE C[C@H](O)[C@H](C)NS(N)(=O)=O 306701466 ZCQICKNVIPOGJZ-IMJSIDKUSA-N 168.218 -1.451 0 10 AAAE NC1CN(C[C@@H](O)CF)C1 306797040 AFRZEEDJXKJKCK-LURJTMIESA-N 148.181 -1.040 0 10 AAAE C[C@@H]1N[C@H](O)[C@@H](O)C[C@H]1O 306932708 DYVVJGKMSFILLW-BGPJRJDNSA-N 147.174 -1.592 0 10 AAAE CO[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1CN 306985714 NUOZWYXAQOSQLC-JWXFUTCRSA-N 177.200 -1.714 0 10 AAAE CO[C@@H]1CO[C@H]2[C@H]1OC(=O)[C@@H]2O 306998154 XSHFODDAMBFZNC-ARQDHWQXSA-N 174.152 -1.314 0 10 AAAE NC(=O)NCCc1noc(O)n1 307003373 DCIKLFZXYSNSLH-UHFFFAOYSA-N 172.144 -1.014 0 10 AAAE Cn1nncc1[C@@H](O)[C@@H](N)C(=O)O 307071529 GSPIHCAEWDQIOC-RFZPGFLSSA-N 186.171 -1.740 0 10 AAAE N[C@H]1NC[C@@H](F)C(=O)N1 307098889 RCRDPGRYNIMYCS-FONMRSAGSA-N 133.126 -1.714 0 10 AAAE NO[C@H]1[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@H]1O 307621552 BKUXMJZZACENOU-JMVOWJSSSA-N 195.171 -3.937 0 10 AAAE OC[C@@H]1C[C@@](O)(CO)[C@@H](O)O1 307679699 MZLOBMHGALAHII-HCWXCVPCSA-N 164.157 -2.191 0 10 AAAE CO[C@@H]1O[C@@H]2[C@H](O)CC[C@]2(O)[C@@H]1O 307753588 WKAIGFZWEJBZMN-PVFLNQBWSA-N 190.195 -1.396 0 10 AAAE COC[C@@H](O)CN1C[C@@H](O)CO1 308028901 YSJJGDWENBRREZ-NKWVEPMBSA-N 177.200 -1.398 0 10 AAAE 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-1.242 0 10 AAAE CCS(=O)(=O)Nc1nn[nH]n1 710014323 IRINHVYFRUWRRM-UHFFFAOYSA-N 177.189 -1.039 0 10 AAAE COC[C@@H](N)C(=O)c1ncn(C)n1 714810422 PNFATPDNDHCPCZ-RXMQYKEDSA-N 184.199 -1.029 0 10 AAAE C[C@H](CO)CNC[C@H](O)[C@@H](C)O 717345277 ZXUCULJNXPKXGM-RNJXMRFFSA-N 177.244 -1.054 0 10 AAAE CNCCC(=O)NC[C@@H](O)[C@@H](C)O 717359874 NEWNVKBAISEASC-RNFRBKRXSA-N 190.243 -1.546 0 10 AAAE CN(C1CNC1)[C@@H]1CNC[C@@H]1O 718974881 FJEHVCAJMRGICL-SFYZADRCSA-N 171.244 -1.777 0 10 AAAE Cn1ncc(CN)c1C(=O)NCCN 719249999 REEDSYUWQBYBPV-UHFFFAOYSA-N 197.242 -1.433 0 10 AAAE NC1=C=NNN1[C@H]1CC[C@@H]1O 885247647 JONBATYQXITWQJ-WHFBIAKZSA-N 154.173 -1.285 0 10 AAAE NC1=C=NNN1[C@@H]1CCNC1=O 885287993 FEGZHMHDTSLVEL-SCSAIBSYSA-N 167.172 -1.920 0 10 AAAE CN1NN=C=C1N1C[C@H](O)[C@H](O)C1 885449581 LSJVUGKANQMNMM-OLQVQODUSA-N 184.199 -2.100 0 10 AAAE CC[N+]1=C=C([C@@](C)(O)C(=O)O)NN1 885470829 JKMPGFKYPURWNI-SSDOTTSWSA-O 186.191 -1.569 0 10 AAAE N[C@@H]1COC[C@@H]1N1CCOCC1=O 885493745 CMHCCFSXKKTLMI-RQJHMYQMSA-N 186.211 -1.429 0 10 AAAE C[C@@H]1C[C@@H](N)CCN1C1=C=[N+](C)NN1 885785508 BOEDWLRCTVWYGG-SFYZADRCSA-N 196.278 -1.026 0 10 AAAE O=C(O)[C@@H]1NN[C@@H]2NCNN21 953109498 BQZATIRHAWJFPI-FONMRSAGSA-N 159.149 -2.844 0 10 AAAE OC(O)[C@@]1(O)CCCNC1 953111683 ICXXCGNKMVQUEU-ZCFIWIBFSA-N 147.174 -1.588 0 10 AAAE O=C(/C=C/Cn1cncn1)NCCO 1119592792 IPSZGBLUTLOYKZ-OWOJBTEDSA-N 196.210 -1.057 0 10 AAAE CCNCC(=O)N[C@H]1CNOC1 1122223978 DAIWFMVSJLTLAB-LURJTMIESA-N 173.216 -1.385 0 10 AAAE NCCNC(=O)[C@H]1C[C@H]1C(N)=O 1219868608 HXGUXLKLAVPYER-UHNVWZDZSA-N 171.200 -1.817 0 10 AAAE NC[C@@H]1COC[C@@H]1n1cc(CO)nn1 1536221397 BHNAGQZBFBLTLF-SVRRBLITSA-N 198.226 -1.083 0 10 AAAE O=C(O)CNC(=O)N[C@H]1CC[C@H]1O 1878137995 GKSBGYXRPFBKIM-CRCLSJGQSA-N 188.183 -1.107 0 10 AAAE C[C@H](O)CO[C@H](CN)C(N)=O 1880142828 UWHZMXGVBCHJCM-CRCLSJGQSA-N 162.189 -1.804 0 10 AAAE C[C@H](O)C(=O)NCC1CNC1 1880251571 CLJLBEJINWGANA-YFKPBYRVSA-N 158.201 -1.297 0 10 AAAE NC[C@H](CO)N1C[C@H]2COC[C@@H]21 1881021651 MOUSZDMHXXTLPA-RNJXMRFFSA-N 172.228 -1.363 0 10 AAAE N#CNC(=N)NC1(CO)COC1 1881118990 WBPJKAWEUGUGDF-UHFFFAOYSA-N 170.172 -1.657 0 10 AAAE NOCCOCC1(CO)COC1 1881150559 RTSJXSJOKILSGA-UHFFFAOYSA-N 177.200 -1.098 0 10 AAAE C[C@H]1NC[C@@]12N[C@H](C(=O)O)CO2 1881344330 VYGUWDWJXGSCHG-ZDLURKLDSA-N 172.184 -1.253 0 10 AAAE COC[C@H](N)COCCOCCO 1881669162 AFAXMYORSWDQET-QMMMGPOBSA-N 193.243 -1.014 0 10 AAAE CN(CC1(N)CC1)[C@H](CN)C(=O)O 1882035714 NDQWTSCDXPJLMT-ZCFIWIBFSA-N 187.243 -1.179 0 10 AAAE O=C(CO)N[C@H]1CCO[C@@H]1C(=O)O 1882341742 ISVZEUMDCYALGI-NJGYIYPDSA-N 189.167 -1.663 0 10 AAAE C[C@@H](C(N)=O)N1C[C@H](O)C[C@@H](O)C1 1882572930 VQPOMKZNAKZZCI-RRKCRQDMSA-N 188.227 -1.712 0 10 AAAE C[C@H](N)[C@@H](O)C(=O)NC1(C)COC1 1882928888 VUMKEJALPQQJAW-NTSWFWBYSA-N 188.227 -1.400 0 10 AAAE N[C@]1(C(=O)NCC(=O)O)C[C@H](O)C1 1883256233 RPBNEQZBFBFZIU-KIRWANIJSA-N 188.183 -1.961 0 10 AAAE CN1CC(NC[C@@H]2CNCCO2)C1 1883930511 QOZKZPSBOYLLKY-VIFPVBQESA-N 185.271 -1.122 0 10 AAAE 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ULGSXWWUSVUBDX-UHFFFAOYSA-N 195.226 -1.296 0 10 AAAE CO[C@@H](CN)[C@H](O)C1COC1 1893545973 ISYKMZDXEKAISJ-NKWVEPMBSA-N 161.201 -1.033 0 10 AAAE CCn1nnc(CNC(=O)[C@@H](C)N)n1 1894803379 UQAVOUJEEHOHBP-RXMQYKEDSA-N 198.230 -1.344 0 10 AAAE COC(=O)C(=O)NC[C@@H]1[C@H]2CN[C@H]1C2 1902428222 FNNHJRFTVPMTQT-QYNIQEEDSA-N 198.222 -1.117 0 10 AAAE Cn1nnc(C=C2CC(=O)NC2=O)n1 1911632411 YBDPHECZTKWAMD-UHFFFAOYSA-N 193.166 -1.360 0 10 AAAE CC(CO)(CO)NC(=O)C=CCN 1911701262 MCBCXYZCIIDYQN-UHFFFAOYSA-N 188.227 -1.639 0 10 AAAE NC(=O)NCCCn1cnnn1 1923832007 AVYQWNZISIYGGT-UHFFFAOYSA-N 170.176 -1.269 0 10 AAAE N[C@@H]1C[C@H]1NC(=O)[C@H]1C[C@H](N)C1 1923836264 YMGMHUWUEUIUQN-DBRKOABJSA-N 169.228 -1.061 0 10 AAAE COCCNC(=O)[C@@](C)(N)CO 1923853636 VYUKTFJLAZVOJO-ZETCQYMHSA-N 176.216 -1.541 0 10 AAAE CON(C)C(=O)C1(O)CNC1 1923854672 KJWPWIKIDAYDOH-UHFFFAOYSA-N 160.173 -1.660 0 10 AAAE CNC(=O)CC(=O)N[C@@H]1C[C@H]1N 1923855318 LOTFOASBPBJOSY-RFZPGFLSSA-N 171.200 -1.662 0 10 AAAE COC[C@H](C)C(=O)NC[C@H](O)CN 1924010260 XAWNXGFCDKVXNL-NKWVEPMBSA-N 190.243 -1.295 0 10 AAAE CNC(=O)CN[C@H]1CNC[C@@H]1C 1926071423 UHLBNPXTCPNSOV-BQBZGAKWSA-N 171.244 -1.070 0 10 AAAE COC[C@](C)(CO)NC(=N)NC#N 1928558617 KPGLJUQNLBERIU-ZETCQYMHSA-N 186.215 -1.021 0 10 AAAE NCCCN[C@@H]1COC[C@@H]1CO 1928735286 JABXTMLOLHWBAZ-JGVFFNPUSA-N 174.244 -1.068 0 10 AAAE C[C@H](N)CC(=O)NCCn1cnnn1 1928859535 JHRUTBUBFJOQKA-LURJTMIESA-N 198.230 -1.473 0 10 AAAE NC[C@H]1CCN1C(=O)c1cnn[nH]1 1928888497 OCUWIJRBODYODV-RXMQYKEDSA-N 181.199 -1.022 0 10 AAAE CS(=O)(=O)[C@H]1COC[C@@H]1N 1929002155 SBQRVCBIRAAPTM-WHFBIAKZSA-N 165.214 -1.243 0 10 AAAE CCN(C1CN(C)C1)[C@@H](CN)CO 1929071771 UUYGZDWKPGQIDF-QMMMGPOBSA-N 187.287 -1.058 0 10 AAAE N[C@@H]1COCC[C@]12CNC(=O)N2 1929543385 POGVVOYYLQPTEE-VDTYLAMSSA-N 171.200 -1.214 0 10 AAAE O[C@@H]1CN([C@@H]2CNC[C@H]2O)C[C@@H]1F 1929873422 ZROGRIMBAOAEDE-LXGUWJNJSA-N 190.218 -1.666 0 10 AAAE CN1C[C@@H](O)[C@H](N[C@@H](CN)C2CC2)C1 1930010706 DTQOFJJFLZQEOI-IVZWLZJFSA-N 199.298 -1.012 0 10 AAAE CNC(=O)CN(C)C1[C@@H]2CNC[C@@H]12 1930377571 XCPSVEKJBXEMRW-RNFRBKRXSA-N 183.255 -1.118 0 10 AAAE CC[C@@H]1N[C@H]([C@H]2CCN2)C(=O)NC1=O 1930818314 NBVDTFVMEKNWAL-RRKCRQDMSA-N 197.238 -1.259 0 10 AAAE NC[C@H](O)[C@@]1(CN)CCOC1 1931199022 OOXXGKXZYYBLQD-NKWVEPMBSA-N 160.217 -1.329 0 10 AAAE C[C@H](CN)[C@H](O)CN 1931199894 WXATYGUVHHJVRV-RFZPGFLSSA-N 118.180 -1.099 0 10 AAAE O[C@@H]1COC[C@H]1OCC1CNC1 1932091520 DHXMRTDJUKKJSP-HTQZYQBOSA-N 173.212 -1.018 0 10 AAAE COC[C@@H](NC=CC(=O)O)C(N)=O 1932166258 WVZBGFWTZSPFHK-RXMQYKEDSA-N 188.183 -1.325 0 10 AAAE NC(=O)NC(=O)CN1C[C@@H]2C[C@H]1[C@@H]2N 1932184500 GMAIGPJUWFTISH-KZLJYQGOSA-N 198.226 -1.787 0 10 AAAE NC[C@@H](O)CNC(=O)N1C[C@H]2C[C@H]2C1 1932412403 IPOUAGSKVMTEPT-GJMOJQLCSA-N 199.254 -1.033 0 10 AAAE C[C@@H](CN)N1C[C@H](O)[C@H](N(C)C)C1 1933642462 GLPOYYSWVJPOHY-YIZRAAEISA-N 187.287 -1.060 0 10 AAAE CN1C[C@@H](O)[C@H](N=c2ncn(C)[nH]2)C1 1935074895 ZVYLQXXKGHKHIM-RNFRBKRXSA-N 197.242 -1.676 0 10 AAAE CN1C[C@@H](O)[C@H](N(C)N)C1 1935134389 HYZXBKPPTSOHHV-PHDIDXHHSA-N 145.206 -1.533 0 10 AAAE COCC(=O)N1CC(CO)(OC)C1 1935362469 UOVOCUQGAVYFAL-UHFFFAOYSA-N 189.211 -1.148 0 10 AAAE CS(=O)(=O)C[C@H](N)C=CC(=O)O 1951382672 YEHXCJOCGSCFGJ-RXMQYKEDSA-N 193.224 -1.001 0 10 AAAE O=C1C[C@H](c2nn[nH]n2)[C@H](C(=O)O)N1 1952082314 ZSCSSTCONSRKOQ-ZAFYKAAXSA-N 197.154 -1.744 0 10 AAAE O=C1CNC[C@H](Cn2cnnn2)N1 1952114204 QLMBZZZPEXCYSL-RXMQYKEDSA-N 182.187 -2.239 0 10 AAAE Cn1cc([C@@H](N)[C@H](O)C(=O)O)nn1 1952372402 JFRLVOYHFPHBMR-UHNVWZDZSA-N 186.171 -1.740 0 10 AAAE NCC[C@H]1CNC[C@H]1O 1953145490 INYURHMMHZQIHX-NTSWFWBYSA-N 130.191 -1.085 0 10 AAAE NNC(=S)NC1[C@@H]2COC[C@@H]12 1953340941 LHAGHBGQQWGWJR-QWWZWVQMSA-N 173.241 -1.031 0 10 AAAE CNS(=O)(=O)N1CC[C@@H]1[C@H](C)N 1953597648 NKEMETVVTDQWBR-NTSWFWBYSA-N 193.272 -1.128 0 10 AAAE C[C@H](N)[C@@H](O)C1(C(=O)O)CNC1 1953620414 YAZOSPVGTKXKFD-CRCLSJGQSA-N 174.200 -1.631 0 10 AAAE CC(=N)N[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O 1953632683 HHPUNLKSFMHCMP-JRTVQGFMSA-N 174.200 -1.572 0 10 AAAE CN(C[C@H](O)CN)c1nnco1 1953661172 XXSUYCVZEZOROC-RXMQYKEDSA-N 172.188 -1.175 0 10 AAAE NC[C@@H](O)CCC(=O)NN1CCC1 1953807167 XXDKRNFHNRIXCG-ZETCQYMHSA-N 187.243 -1.177 0 10 AAAE N[C@@]1(C(CO)CO)C[C@@H]2CN[C@H]1C2 1953846632 OXFZEOATYWIQIB-BWVDBABLSA-N 186.255 -1.334 0 10 AAAE CONCC(=O)NC/C=C/C(=O)O 1954368186 MTKZLEXYRBPAOX-NSCUHMNNSA-N 188.183 -1.106 0 10 AAAE O=C(O)C(=O)N[C@H]1CN2CC[C@H]1C2 1954392902 PFNOAWHMOHMMSL-WDSKDSINSA-N 184.195 -1.109 0 10 AAAE NCCC(=O)NCCOCCCO 1954490061 KAYOCPRUPBPBNS-UHFFFAOYSA-N 190.243 -1.150 0 10 AAAE C[C@@H](O)CNC(=O)[C@@H](N)C1COC1 1954517609 XXIPKOACYRDMIT-VDTYLAMSSA-N 188.227 -1.543 0 10 AAAE CCNC(=N)N1C[C@@H](O)C[C@@H](O)C1 1954535817 GWUIFTJCVFJTNO-KNVOCYPGSA-N 187.243 -1.042 0 10 AAAE Cn1ncc(N(CCN)CCO)n1 1954636203 UOTQOIRSDVTUFC-UHFFFAOYSA-N 185.231 -1.428 0 10 AAAE COC(=O)C(=O)N1CCNNCC1 1954652756 XLELMVOGZGSEIG-UHFFFAOYSA-N 187.199 -1.904 0 10 AAAE NC(=O)CC1CN(C(=O)CNO)C1 1954720235 WVCXPBRHTOTMAW-UHFFFAOYSA-N 187.199 -1.701 0 10 AAAE 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-1.259 0 10 AAAE CN(Cc1ncno1)[C@@H]1CNC[C@@H]1O 1955506453 GICOJXZGCAHOOL-RQJHMYQMSA-N 198.226 -1.166 0 10 AAAE CCN(C)C1CN([C@H]2CNC[C@H]2O)C1 1956719010 CIHSRKZWZCKKQK-VHSXEESVSA-N 199.298 -1.045 0 10 AAAE OCC1(O)CN([C@H]2C[C@@H]3NCC[C@@H]32)C1 1956888784 FAHFGOUNNAHDBU-CIUDSAMLSA-N 198.266 -1.224 0 10 AAAE C[C@@H](O)[C@H](N)C(=O)Nc1ncncn1 1957354835 XCQUEKXYYGJZBG-UHNVWZDZSA-N 197.198 -1.482 0 10 AAAE Cn1nnnc1CN1CCOCCO1 1966479999 SEPLJRSJGADJFN-UHFFFAOYSA-N 199.214 -1.026 0 10 AAAE N=c1nnc(=N[C@H]2C[C@H]2CO)[nH][nH]1 2209173438 SWIILTRARRNDEA-IMJSIDKUSA-N 182.187 -2.106 0 10 AAAE N=c1nnc(=NCCNC2CC2)[nH][nH]1 2209555317 BYZBVKOLYWABRP-UHFFFAOYSA-N 195.230 -1.735 0 10 AAAE CN1CC[C@@H]1CN=c1nnc(=N)[nH][nH]1 2209556321 QZXDMCDRARKFQI-RXMQYKEDSA-N 195.230 -1.783 0 10 AAAE OC[C@@H]1[C@H](O)[C@@H](O)CN1c1ccc[nH]1 2209601606 UTVCCKREQBHETI-FJXKBIBVSA-N 198.222 -1.083 0 10 AAAE C[C@@H](CO)C(=O)NOC1CNC1 2241244922 HIGONJFEKJUSCQ-YFKPBYRVSA-N 174.200 -1.366 0 10 AAAE NC[C@H](CF)NC[C@H](O)CO 2241302545 DRSYVMGGQZKCFJ-WDSKDSINSA-N 166.196 -1.774 0 10 AAAE NCC(=O)NCc1noc(C(N)=O)n1 2241742001 UICMPLMOOJHIFJ-UHFFFAOYSA-N 199.170 -2.257 0 10 AAAE C[C@@H](O)CN1CC(O)(CCO)C1 2241807148 CREJKCBZMFJFAK-SSDOTTSWSA-N 175.228 -1.204 0 10 AAAE CO[C@@H]1[C@H](O)C[C@H]1NC(=N)NN 2241859944 RDIOYLXIZXUIQQ-WDCZJNDASA-N 174.204 -1.878 0 10 AAAE CS(=O)(=O)C[C@H]1CC(=O)NC1=O 2242121376 AAGPLRVUBHPAIE-SCSAIBSYSA-N 191.208 -1.306 0 10 AAAE N[C@H](C(=O)O)[C@H](O)C1CNC1 2242266823 IEKNCRFCSHIQIX-CRCLSJGQSA-N 160.173 -2.021 0 10 AAAE O=C1C[C@@H](NC(=O)C2CNC2)CO1 2242586421 FRXPHEOHKUCZLT-ZCFIWIBFSA-N 184.195 -1.363 0 10 AAAE C[C@H]1N=C(N)N=C(N(C)C)NC1=O 23996 KFMNBNFMKWDVOT-SCSAIBSYSA-N 183.215 -1.263 0 10 AAAE O=C1O[C@@H]([C@@H](O)C(=O)O)[C@@H](O)[C@@H]1O 2151049 XECPAIJNBXCOBO-ORZLYADOSA-N 192.123 -2.921 0 10 AAAE endogenous,in-vitro N[C@@H]1[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]1O 5830012 BXZVZSSSRTUQJP-VFUOTHLCSA-N 179.172 -3.255 0 10 AAAE in-vivo NC(=O)[C@@H](O)[C@@H](N)C(=O)O 6505173 VQTLPSCRBFYDNX-NCGGTJAESA-N 148.118 -2.756 0 10 AAAE O=C1O[C@H]([C@@H](O)CO)[C@H]1O 31372348 GRYOZULSNCMRHE-PZGQECOJSA-N 148.114 -2.374 0 10 AAAE NC(=O)CC(O)CC(N)=O 34596300 ALPVWKYVCJYKMU-UHFFFAOYSA-N 146.146 -1.902 0 10 AAAE NC1CC(NC(=O)c2c[nH]c(=O)[nH]2)C1 36236951 JJJLDCRKNRLREK-UHFFFAOYSA-N 196.210 -1.078 0 10 AAAE N[C@H]1C[C@@H](CO)[C@@H](O)[C@H](O)[C@H]1O 38760707 GSQYAWMREAXBHF-ZYNSJIGGSA-N 177.200 -2.591 0 10 AAAE COC(=O)[C@@](C)(N)CC(N)=O 38974037 CTMNHIFTGPSQFP-LURJTMIESA-N 160.173 -1.248 0 10 AAAE OC[C@@H]1NNC[C@H](F)[C@@H]1O 39088412 QQRYEYRRHOAASJ-YUPRTTJUSA-N 150.153 -1.846 0 10 AAAE CO[C@@H]1O[C@H](CN)[C@H](O)[C@H]1O 39089498 ODOKPZPCULYXKR-JGWLITMVSA-N 163.173 -1.962 0 10 AAAE [O-][n+]1cc(O)nc(CO)c1 39253961 ZZWZQZCJUKRSRV-UHFFFAOYSA-N 142.114 -1.087 0 10 AAAE O=C(O)C(=O)NC(CO)(CO)CO 58848167 HXWIAAFFUKQBPB-UHFFFAOYSA-N 193.155 -3.097 0 10 AAAE OCCCN1CCN(C2CNC2)CC1 78675898 WPMFKSHWAFPLGR-UHFFFAOYSA-N 199.298 -1.042 0 10 AAAE N[C@H]1CS(=O)(=O)CC[C@@H]1C(=O)O 82388293 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PSMLAIDGAXLQIT-HTQZYQBOSA-N 177.244 -1.054 0 10 AAAE COC[C@@H](N)C(=O)N(C)[C@@H](C)CO 124117596 UXZMQAUROSTPOE-NKWVEPMBSA-N 190.243 -1.201 0 10 AAAE N=C(N)c1cc(N)nc(N)n1 136789566 KKUVWXRZASFFPP-UHFFFAOYSA-N 152.161 -1.075 0 10 AAAE CS(=O)(=O)NC[C@H](N)C(=O)O 138262436 WDVJVEAEJUUIND-VKHMYHEASA-N 182.201 -2.053 0 10 AAAE COC(=O)[C@H]1OC[C@H](O)[C@@H]1O 139085938 PJJBEPHVRNPEKV-YUPRTTJUSA-N 162.141 -1.720 0 10 AAAE O=CNC1CNC1 139920582 YYPOGXYLODKIKL-UHFFFAOYSA-N 100.121 -1.296 0 10 AAAE CC(=O)[C@@](O)(CO)[C@@H](C)O 143376238 VGFWQNYTGUGVTP-INEUFUBQSA-N 148.158 -1.320 0 10 AAAE CC(=O)N[C@@H](CC(N)=O)CC(=O)O 143799781 BJXYZFCDUSWHBI-YFKPBYRVSA-N 188.183 -1.159 0 10 AAAE N[C@H]1CN(S(=O)(=O)O)C1=S 165910488 VHHSFWFKBXSHRP-REOHCLBHSA-N 182.226 -1.241 0 10 AAAE C[C@@H]1OC(=O)[C@@H](N)[C@H]1C(=O)O 197372697 QIHWGSWCZFTCFV-HZLVTQRSSA-N 159.141 -1.040 0 10 AAAE O[C@H]1CNCC[C@@H](O)[C@H]1O 204969731 KAYKUOQTIGNRCF-NGJCXOISSA-N 147.174 -1.938 0 10 AAAE CS(=O)(=O)N1CC(NN)C1 212222044 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C[C@@H](Nc1nnc(CN)o1)C(N)=O 235236520 SIRATTOVTFDXBF-GSVOUGTGSA-N 185.187 -1.186 0 10 AAAE Cn1cnc(CNC[C@@H](O)CO)n1 236088511 WPLIJVLTRCMYAE-ZCFIWIBFSA-N 186.215 -1.742 0 10 AAAE CC(CO)(CO)[C@H](O)CN 238203390 UOBLGEZOJNLOSX-RXMQYKEDSA-N 149.190 -1.703 0 10 AAAE CNC(=N)CNCC[C@@H](N)C(=O)O 238317772 IBLIHLGKEJPHJV-RXMQYKEDSA-N 188.231 -1.425 0 10 AAAE C[C@H](O)C[C@H]1NC(=O)NC1=O 238450941 QCJWWYNXJDHHIM-IUYQGCFVSA-N 158.157 -1.035 0 10 AAAE O=C(CO)CNCP(=O)(O)O 238684424 JSMOOHPGLUYDAC-UHFFFAOYSA-N 183.100 -1.727 0 10 AAAE O=C1N[C@H]2CC(=O)N3CCC=C1[C@@]23O 238699954 KTFOYDWFUCEQAN-IMTBSYHQSA-N 194.190 -1.264 0 10 AAAE CN1C(=O)C[C@H]2[C@@H](C1=O)N(C)C[C@@H]2N 250594872 IKCHFPVXDGQBJY-CHKWXVPMSA-N 197.238 -1.367 0 10 AAAE C[C@H](O)CN1CCNC[C@H]1CN 252844177 DKZMTSBMGXTKOL-JGVFFNPUSA-N 173.260 -1.400 0 10 AAAE C[C@@H](CN1CCNC(=O)[C@H]1C)C(N)=O 253485508 PDKCTWDXTHEPJL-NKWVEPMBSA-N 199.254 -1.072 0 10 AAAE OC[C@@H]1[C@@H](O)[C@@H](O)c2nccn21 255969002 DGGMEKMJNMCZQN-HSUXUTPPSA-N 170.168 -1.176 0 10 AAAE N[C@@H]1C[C@H](O)[C@H](O)[C@@](O)(CO)[C@@H]1O 306302644 ZUTPRPWMJOTUJF-IBISWUOJSA-N 193.199 -3.477 0 10 AAAE CCON1C(=O)N[C@@H](CO)C1=O 306306011 FBAQHVXCURPVQI-BYPYZUCNSA-N 174.156 -1.149 0 10 AAAE O=C1N[C@@H]2CO[C@@H](O)[C@@H]2O1 306343573 NGHAPDHEOVGQQI-BXXZVTAOSA-N 145.114 -1.188 0 10 AAAE COC[C@@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O 306394330 FOSAYDAPRXKRTN-BNHYGAARSA-N 194.183 -2.566 0 10 AAAE O=C1O[C@H]2[C@@H](OC[C@@H](O)[C@H]2O)[C@@H]1O 306421248 GXLIXCFTVOOZRF-RWOPYEJCSA-N 190.151 -2.607 0 10 AAAE COC(=O)[C@@H]1ON[C@H](C)[C@H](O)[C@H]1O 306521824 GSCSZTACBRAOBB-JGWLITMVSA-N 191.183 -1.827 0 10 AAAE CC(=O)N[C@@H]1CO[C@H](C)[C@H](O)[C@H]1O 306541021 WXYQMZWCFSAKTA-GVYWOMJSSA-N 189.211 -1.368 0 10 AAAE O=C(O)[C@@H]1N[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O 306756684 RTGWALNVNAFAIW-VQOCEVNASA-N 193.155 -3.556 0 10 AAAE O=C1OC[C@H](O)[C@H]2[C@@H](O)CCN12 306889651 XOKBHFHJPQTLHE-HCWXCVPCSA-N 173.168 -1.067 0 10 AAAE O[C@@H]1[C@H]2OC[C@@H](O2)[C@H]2OCCO[C@H]12 306928905 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WZHOEGBMJCCNQD-RITPCOANSA-N 158.201 -1.203 0 10 AAAE CN1C(=O)CCNC[C@@H]1CN 213752831 ORQHEDDBQUTJGI-LURJTMIESA-N 157.217 -1.235 0 10 AAAE O=C(O)[C@H](O)[C@@H](O)C(=O)NCCO 214755164 RRICOSQNUJGVJF-QWWZWVQMSA-N 193.155 -3.099 0 10 AAAE NC[C@@H](C(N)=O)[C@H]1CCCN1 215272890 VUIFVVOHFMLAFK-PHDIDXHHSA-N 157.217 -1.201 0 10 AAAE NC(=O)[C@@H]1CNC(=O)N2CCOC[C@H]12 215365361 QLWJQIMKOIBQGD-PHDIDXHHSA-N 199.210 -1.488 0 10 AAAE C[C@](O)(CCCO)C(N)=O 219996051 KBAFOIDUPMZULG-LURJTMIESA-N 147.174 -1.005 0 10 AAAE CON(C)CCS(N)(=O)=O 221531184 VNRCNYRZXIRUGK-UHFFFAOYSA-N 168.218 -1.232 0 10 AAAE COC(=O)[C@H]1CC(=O)NN1 222226017 VMEGMXWWZMXOHD-GSVOUGTGSA-N 144.130 -1.448 0 10 AAAE COC(=O)[C@@H](O)[C@@H](O)C(OC)OC 223657087 IHEBLOKMSFMQPF-CRCLSJGQSA-N 194.183 -1.500 0 10 AAAE C[C@H](NC1=NC(=O)C(=O)N1)[C@@H](C)CO 228740754 TYVBFYGFWNRMEG-WHFBIAKZSA-N 199.210 -1.395 0 10 AAAE NC1(C(=O)N[C@H]2CNC(=O)C2)CC1 229095647 NUMXGZXUGAUFPU-RXMQYKEDSA-N 183.211 -1.518 0 10 AAAE CC(C)[C@H](C(N)=O)n1nnnc1N 231062956 DWZSGWUBRRUEGU-SCSAIBSYSA-N 184.203 -1.062 0 10 AAAE COC(=O)[C@H](O)CNS(C)(=O)=O 231649004 VUAISELRQAIUIS-SCSAIBSYSA-N 197.212 -1.931 0 10 AAAE O=C(O)/C=C/CNC(CO)CO 232446838 RQORMYNBSDWJIC-OWOJBTEDSA-N 175.184 -1.430 0 10 AAAE COC(=O)[C@@H](C)NCc1nnn(C)n1 234538682 PNMJCDUFDBDGKC-RXMQYKEDSA-N 199.214 -1.139 0 10 AAAE COC[C@H](N)C(=O)NS(C)(=O)=O 234730438 ZVQUWMATHXKXHB-BYPYZUCNSA-N 196.228 -1.964 0 10 AAAE NCCOCCN1CCNC1=O 236174658 CPGPAOFMKCBTQA-UHFFFAOYSA-N 173.216 -1.013 0 10 AAAE N[C@H]1CCC[C@H]1N1C[C@H](O)[C@H](O)C1 236315703 OXQQWJNNYZGIEG-UYXSQOIJSA-N 186.255 -1.096 0 10 AAAE C[C@H](O)[C@]1(O)C[C@H](O)[C@@H](O)O[C@H]1C 257422723 GBHWSZVYPRVYEL-DMHSOCPYSA-N 192.211 -1.414 0 10 AAAE N[C@@]12CC[C@@H](N1)[C@H](O)[C@H](O)[C@H]2O 257461390 KBZOEWOSIUJWIO-PZRMXXKTSA-N 174.200 -2.510 0 10 AAAE biogenic C[C@@H]1N[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O 257760399 ZEWFPWKROPWRKE-XUVCUMPTSA-N 177.200 -2.578 0 10 AAAE NC[C@H](N)[C@H]1CCNC1 257948792 AHBQSIHXILGYCH-WDSKDSINSA-N 129.207 -1.118 0 10 AAAE NC(=O)[C@@H]1CCC[C@H](N)[C@@H]1O 260164253 RMQFTFXCEHJZGA-NGJCXOISSA-N 158.201 -1.040 0 10 AAAE OC[C@@H]1NC[C@H](O)[C@@H](O)[C@H]1F 306251033 ZBLLUGOAGQORLX-OMMKOOBNSA-N 165.164 -1.990 0 10 AAAE CN1CC(N2C[C@@H](N)C2=O)C1 306256805 XBIJUILMZBJGOS-ZCFIWIBFSA-N 155.201 -1.530 0 10 AAAE N[C@@H]1[C@H](O)C[C@H](CO)[C@@H](O)[C@@H]1F 306266201 PNSYKKDKVBRRJU-NYMZXIIRSA-N 179.191 -1.614 0 10 AAAE OC[C@H](O)[C@H](O)[C@H]1OCOC[C@H]1O 306276108 GVMCJCHAJRGQJQ-VZFHVOOUSA-N 194.183 -2.566 0 10 AAAE NC[C@]1(O)CO[C@H]2[C@@H]1OC[C@H]2O 306306783 QFJOBHNVFUZJJE-JWXFUTCRSA-N 175.184 -2.165 0 10 AAAE O[C@@H]1CON(Cc2nnn[nH]2)C1 306404202 HQLOFNCQODRVQC-BYPYZUCNSA-N 171.160 -1.692 0 10 AAAE C[C@]1(O)C[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O1 306427432 JASKGLJJHWFMKT-QYYLWSOASA-N 190.195 -1.396 0 10 AAAE C[C@H]1CN(Cc2nnn[nH]2)C[C@@H]1N 306512030 OPAIMVDVVGFVNB-WDSKDSINSA-N 182.231 -1.021 0 10 AAAE CC(=O)N1C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O 306647908 FPEOHLUCUNZHEH-GBNDHIKLSA-N 191.183 -2.750 0 10 AAAE C[C@@H]1NC[C@H]2[C@H](O)[C@@H](O)CN2C1=O 306692021 RARNDQZNMNBLNR-AXMZGBSTSA-N 186.211 -2.089 0 10 AAAE CC[C@H](O)[C@H](C)NC1=NC(=O)C(=O)N1 306850641 PQAHDRFHMSUMDZ-WHFBIAKZSA-N 199.210 -1.252 0 10 AAAE C[C@H]1C[C@H](N)[C@H](O)[C@@H](O)O1 306895816 NRVGACQPZAPJKJ-BXKVDMCESA-N 147.174 -1.198 0 10 AAAE CC(C)O[C@@H]1OC[C@@H](O)[C@H](O)[C@H]1O 307003798 CYLQGKQJJUKSRG-CWKFCGSDSA-N 192.211 -1.150 0 10 AAAE O=C1O[C@@H]2[C@@H]1O[C@H](O)[C@H](O)[C@H]2O 307261487 PLQAAQLHMFSZDA-SJKGRWRKSA-N 176.124 -2.649 0 10 AAAE CN(C)CC1=C[C@H](O)[C@H](O)[C@@H](O)C1 307296333 ONBBHLIAMUBRCJ-CIUDSAMLSA-N 187.239 -1.039 0 10 AAAE N[C@H]1[C@H](O)O[C@H](O)[C@@H](O)[C@@H]1O 307457949 GPDARDBGKUQVGQ-VQOCEVNASA-N 165.145 -3.298 0 10 AAAE N[C@]12C[C@H]3C[C@H](C[C@@](N)(C1)[C@H]3O)[C@@H]2O 307497290 OPHOZHYBNGSOPB-NRNPDCPVSA-N 198.266 -1.063 0 10 AAAE CNC[C@@H](O)CNS(=O)(=O)NC 308081540 JMGGZXSHAHNURB-RXMQYKEDSA-N 197.260 -2.380 0 10 AAAE CN[C@H](CC(N)=O)c1cnn(C)n1 308288325 AZNOTOGRNWYDFW-RXMQYKEDSA-N 183.215 -1.049 0 10 AAAE O=C1NC[C@@H](C(=O)NOCCO)N1 308418755 RTKZPFRONFCHEP-BYPYZUCNSA-N 189.171 -2.292 0 10 AAAE C[C@H](CN[C@@H]1COC[C@@H]1O)C(N)=O 323165771 KTNVRNAQXCGFIM-QYNIQEEDSA-N 188.227 -1.543 0 10 AAAE C[C@H](O)[C@H](O)[C@@](C)(O)C[C@@H](O)CO 379344998 BJYVMRDXSRJSIY-YWIQKCBGSA-N 194.227 -1.778 0 10 AAAE C[C@@H](N)CNC(=O)COC1CNC1 379572914 HLYHLMXFPHDINE-ZCFIWIBFSA-N 187.243 -1.562 0 10 AAAE O=CN[C@H](CCn1cncn1)C(=O)O 379592841 ZOQXWPCPMBRVDH-ZCFIWIBFSA-N 198.182 -1.133 0 10 AAAE N=c1[nH]nc(CNCCO)n1N 388804324 QCNGJKANZZUGPD-UHFFFAOYSA-N 172.192 -2.514 0 10 AAAE CCC(=O)NCCN=c1[nH][nH]c(=N)o1 393091753 SWWQDIKOMXPYPE-UHFFFAOYSA-N 199.214 -1.158 0 10 AAAE CN(C)C[C@@H](O)C[S@@](=O)CCN 393346473 FIBMVWFPYIMXNY-KRTXAFLBSA-N 194.300 -1.384 0 10 AAAE COC[C@H](O)CNC[C@@H](O)CF 395257486 BHVIAIOAMPEFEV-NKWVEPMBSA-N 181.207 -1.086 0 10 AAAE CNC(=O)NCCNS(N)(=O)=O 397478303 YXSDOBKEANDEDO-UHFFFAOYSA-N 196.232 -2.292 0 10 AAAE OC[C@@H]1C[C@H](O)CN1[C@H]1CCNC1 575516275 ZGKSPFUJOSNEPP-CIUDSAMLSA-N 186.255 -1.224 0 10 AAAE NCCN1CCO[C@H](O)C1 616647204 DFDAKQQZXNPSGV-LURJTMIESA-N 146.190 -1.404 0 10 AAAE O=C(NCCO)NCCN[N+](=O)[O-] 687758635 DJGJRIXRVJKMHT-UHFFFAOYSA-N 192.175 -1.941 0 10 AAAE N[C@H]1C[C@@H](C(=O)N[C@@H]2CNC(=O)C2)C1 693586779 KZZNUOSUNCBWLN-XVMARJQXSA-N 197.238 -1.272 0 10 AAAE O=C(NCCO)C12CC(CN1)C2 694785241 OEWXDSFMUFKMMM-UHFFFAOYSA-N 170.212 -1.153 0 10 AAAE CO[C@H](C)CNC(C(N)=O)C(N)=O 695301446 HLOZEUXTTVDEFG-SCSAIBSYSA-N 189.215 -2.050 0 10 AAAE COC[C@@H](N)[C@H](O)c1cnn(C)n1 696003912 JZMGWKGNJRMODZ-VDTYLAMSSA-N 186.215 -1.178 0 10 AAAE C[C@H](NC[C@@H](O)C(=O)O)[C@@H](O)CO 698897694 ANOXLSOOOZMROV-JKUQZMGJSA-N 193.199 -2.237 0 10 AAAE C[C@H](NC[C@H](O)CF)[C@@H](O)CO 698992611 QMJSJGNQZWBIAK-XVMARJQXSA-N 181.207 -1.352 0 10 AAAE CCOC(=O)[C@H](N)C[C@@H](O)CO 700341917 LHFFTVFDKSDAFL-PHDIDXHHSA-N 177.200 -1.380 0 10 AAAE CN(C)C[C@@H](N)[C@@H](O)c1ncnn1C 702511050 QFMCJYSMMHOLLD-RNFRBKRXSA-N 199.258 -1.263 0 10 AAAE C[C@@H](NC(=O)c1cnc[nH]1)[C@H](O)CO 705155701 IWFGHXAHVVAUPX-IYSWYEEDSA-N 199.210 -1.119 0 10 AAAE C[C@H]1COC[C@@H]1OC(=O)[C@@H](N)CO 705957087 OQTCRXUKPKPMAG-ACZMJKKPSA-N 189.211 -1.116 0 10 AAAE CCNS(=O)(=O)N(CCN)OC 708831393 QVTFZFVEJHNGAR-UHFFFAOYSA-N 197.260 -1.337 0 10 AAAE C[C@@H](ONC(=O)[C@@H]1CCN1)C(=O)O 708962627 YABDJKKARKVQML-UHNVWZDZSA-N 188.183 -1.131 0 10 AAAE C[C@H](ONC(=O)C1CNC1)C(=O)O 709012779 WLESUGLSALEJEC-BYPYZUCNSA-N 188.183 -1.273 0 10 AAAE CNC(=O)N1CCN[C@@H](CCO)C1 710520573 AYMWTTNAZHSFQP-ZETCQYMHSA-N 187.243 -1.018 0 10 AAAE NC(=O)[C@H](N)COC1CC1 713283248 IJTKRVXPMNWTQH-RXMQYKEDSA-N 144.174 -1.022 0 10 AAAE NC[C@@H]1C[C@H]1C(=O)NCC(=O)O 715103696 FKYUOZBKLWRLSP-CRCLSJGQSA-N 172.184 -1.218 0 10 AAAE COC(=O)[C@@H](CN)OC(=N)O 715469420 TWQXXLUSGGNHSW-GSVOUGTGSA-N 162.145 -1.004 0 10 AAAE C[C@H](O)[C@H](O)CNC(=O)c1cnc[nH]1 717394848 UGWSUJDZLFECMN-CAHLUQPWSA-N 199.210 -1.119 0 10 AAAE C[C@@H](O)[C@H](O)CNCC(=N)NO 717413656 FLAGIFZGRMKGLB-RFZPGFLSSA-N 177.204 -1.726 0 10 AAAE O=C1C[C@H](NC/C=C/CO)C(=O)N1 717554533 COLPGZKWKGXBTR-IPWVHJGXSA-N 184.195 -1.460 0 10 AAAE CNC1(C(=O)NCc2nn[nH]n2)CC1 720438961 KHJCHTCJRQBSTF-UHFFFAOYSA-N 196.214 -1.432 0 10 AAAE NOCCCN1CC(C(N)=O)C1 722209882 MWPDQXHFSFXTFQ-UHFFFAOYSA-N 173.216 -1.316 0 10 AAAE CN1C#[N+]N[C-]1C(=O)[C@@H]1COC[C@@H]1N 885802770 IUVYMVGGTJVXPD-RITPCOANSA-N 196.210 -1.241 0 10 AAAE NC(=O)c1ncc(N2CC(O)C2)cn1 1149532527 UWYGTVFRZRONSW-UHFFFAOYSA-N 194.194 -1.244 0 10 AAAE NS(=O)(=O)NC[C@H](O)CF 1260085145 NXWNIKQEISYGBA-GSVOUGTGSA-N 172.181 -1.890 0 10 AAAE CN(CCNCCO)C(=O)C(N)=O 1317627486 OHELMDJDZPMWAP-UHFFFAOYSA-N 189.215 -2.488 0 10 AAAE CON(C)CCNC(=O)CC(N)=O 1334961095 GQFOUBQFEQAYNV-UHFFFAOYSA-N 189.215 -1.529 0 10 AAAE NCC1(O)CS(=O)(=O)C1 1857786412 GAPOSWWXDOXLAP-UHFFFAOYSA-N 151.187 -1.895 0 10 AAAE CC(=O)C(=O)N[C@H](C(=O)O)[C@H](C)O 1865939643 GIIBBZDWTQKGHY-UCORVYFPSA-N 189.167 -1.474 0 10 AAAE C[C@H]1NC[C@@H]1N[C@@H]1C[C@H](O)C[C@H]1O 1877342359 GSFMEPSCVXJXRI-QKCLAQEOSA-N 186.255 -1.180 0 10 AAAE 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C[C@@H](CCO)N1C[C@H](O)[C@H](O)C1 1923677359 IFYXWDVDRWBNGP-BIIVOSGPSA-N 175.228 -1.205 0 10 AAAE CON(C)C(=O)[C@]1(N)CCNC1 1923873049 XJJAFXZNUDSMQF-ZETCQYMHSA-N 173.216 -1.303 0 10 AAAE NN1CCOC[C@@H]1[C@@H](O)CO 1928567468 IKQUOSUTVFAQBF-RITPCOANSA-N 162.189 -2.086 0 10 AAAE N=c1[nH]nc(CCn2ccnn2)n1N 1928690486 MKHIRBTYHHGYRO-UHFFFAOYSA-N 194.202 -1.761 0 10 AAAE CN1C[C@@H](N)[C@H](NS(N)(=O)=O)C1 1928788791 GBPVFCOXGVZAIT-RFZPGFLSSA-N 194.260 -2.579 0 10 AAAE NOCCN1C[C@H](O)CO1 1928978606 LWTJHOPGAOOHSV-YFKPBYRVSA-N 148.162 -1.515 0 10 AAAE CN[C@@]1(CO)CCNC[C@H]1OC 1928985551 CPRVWLAUXXYVDK-HTQZYQBOSA-N 174.244 -1.055 0 10 AAAE Cn1nnnc1CO[C@@H]1COC[C@H]1N 1928998868 FKWDQEYNDUQQNB-PHDIDXHHSA-N 199.214 -1.547 0 10 AAAE N[C@@H]1COC[C@@H]1OC[C@@H](O)CO 1928998994 HCMNEOORITUORD-XVMARJQXSA-N 177.200 -1.918 0 10 AAAE O=C(O)C[C@@H](O)CN1CC[C@H]1CO 1929717532 AVIFHJYPKGGTCS-NKWVEPMBSA-N 189.211 -1.111 0 10 AAAE C[C@@]1(O)CON(C(=O)CC(=O)O)C1 1930268748 WPPYQKOUGPKWPF-ZETCQYMHSA-N 189.167 -1.014 0 10 AAAE CNCCOCCN=c1nc[nH]n1C 1930291812 QPPUYUBHBUKKEK-UHFFFAOYSA-N 199.258 -1.115 0 10 AAAE N[C@@H](CN[C@H](CO)C1CC1)C(=O)O 1930722875 BOIFYZNVFNYQAG-NKWVEPMBSA-N 188.227 -1.241 0 10 AAAE CN=c1nc[nH]c(=NCC(=O)OC)[nH]1 1931355213 KJXPYXOQGOCMPE-UHFFFAOYSA-N 197.198 -1.658 0 10 AAAE N[C@@H](CO)C(=O)N[C@@H]1CC12CC2 1931763585 QJIFPVKSAGQUOD-NTSWFWBYSA-N 170.212 -1.025 0 10 AAAE O=c1[nH]ccnc1N1CCNNCC1 1931901992 UQIDNJLVHYAOOM-UHFFFAOYSA-N 195.226 -1.316 0 10 AAAE C[S@](=O)N1CCOC[C@@H](N)C1 1931926131 CSUGQQIZKQNPDK-KGFZYKRKSA-N 178.257 -1.061 0 10 AAAE CNCC(=O)N1CC(OCCO)C1 1932101021 OAYBYJYGFMDYDL-UHFFFAOYSA-N 188.227 -1.575 0 10 AAAE CN1C(=O)C[C@@H](ON)C1=O 1932174374 RARNVZWIAMFKFT-GSVOUGTGSA-N 144.130 -1.366 0 10 AAAE N[C@@H](CO)[C@@H](O)c1cnnn1C1CC1 1933442312 JAPQKJBAMZFJAS-POYBYMJQSA-N 198.226 -1.034 0 10 AAAE CNC(=O)CNC(=O)[C@H]1NC[C@H]1C 1934561732 MCCWBXLTZLCDHT-VDTYLAMSSA-N 185.227 -1.544 0 10 AAAE C[C@H]1CN[C@@H]1C(=O)NOCC(N)=O 1934563405 XHZYMJCIMWNKBW-NJGYIYPDSA-N 187.199 -1.873 0 10 AAAE NCC=C[C@@H](O)CO 1951416334 ULHMNDBGNYCVCK-RXMQYKEDSA-N 117.148 -1.146 0 10 AAAE CN(C)C[C@@H]1CN(C)C(=O)CN1 1951765660 KVKPZBQGLZSUGP-SSDOTTSWSA-N 171.244 -1.022 0 10 AAAE C[C@@H](N)[C@H](O)C(=N)NO 1953148767 CYJHAMZTXFKPIO-GBXIJSLDSA-N 133.151 -1.349 0 10 AAAE OC[C@H](O)CCN1CCCN1 1953268763 DWJMCKUTRUUQMZ-SSDOTTSWSA-N 160.217 -1.060 0 10 AAAE N[C@H]1C[C@@H]1NC(=O)CC(=O)O 1953270293 KDQKLOSDCOVZTR-IMJSIDKUSA-N 158.157 -1.323 0 10 AAAE CN(CC(N)=O)[C@H]1CC[C@@H]1O 1953287320 GQAZBYMXNAGWAO-WDSKDSINSA-N 158.201 -1.073 0 10 AAAE CC(C)(CO)NS(=O)(=O)CCO 1953440307 HANBPLWWAIMDOQ-UHFFFAOYSA-N 197.256 -1.331 0 10 AAAE NC(=O)[C@H](N)CN[C@@H]1[C@H]2CC[C@H]21 1953500929 ACDOPUCXBKVUFD-UCROKIRRSA-N 169.228 -1.203 0 10 AAAE CONS(=O)(=O)N1CC(CN)C1 1953521051 YPLZOTJYEYQISE-UHFFFAOYSA-N 195.244 -1.727 0 10 AAAE COC(=O)CC(=O)N[C@H]1C[C@H]1N 1953547743 NBSKOWSWVYILAO-UHNVWZDZSA-N 172.184 -1.235 0 10 AAAE NC(=O)[C@]1(N)C[C@H]2C[C@H]1C[C@H]2N 1953633694 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Cc1c(N(C)C[C@@H](O)CN)nnn1C 1955872524 QOTBTAVGADPVMO-ZETCQYMHSA-N 199.258 -1.121 0 10 AAAE NC(=O)[C@@H](N)CN1CC2(CC(N)C2)C1 1955877112 LKMMOPCOTAEPEX-ZETCQYMHSA-N 198.270 -1.778 0 10 AAAE NCCN(CCN)c1cnc(N)cn1 1957124305 PFZJHJWRTCWOPY-UHFFFAOYSA-N 196.258 -1.217 0 10 AAAE NC(=O)CNC(=O)[C@@H]1C[C@@H]2CNC[C@@H]21 1957231561 AWVICPIVCYSAMP-QYNIQEEDSA-N 197.238 -1.557 0 10 AAAE CC(C)(NC(=O)C1(O)CC1)C(N)=O 1968979076 HDZGIBWVYWFLTC-UHFFFAOYSA-N 186.211 -1.109 0 10 AAAE C[C@@H](O)C(=O)NC[C@H]1CCN1 1970446921 FFQQQKUYPZHGNN-PHDIDXHHSA-N 158.201 -1.155 0 10 AAAE CN(C1=NC[C@@H](O)CN1)[C@H]1C[C@@H](O)C1 2209401144 WJMRPYOIUWDTCW-KNVOCYPGSA-N 199.254 -1.238 0 10 AAAE C[C@H](CO)C(=O)NCCn1cnnn1 2241247501 UQVMFUKOVCGCRX-ZCFIWIBFSA-N 199.214 -1.582 0 10 AAAE NCC(=O)N1CCC[C@H]2CNC(=O)[C@H]21 2241252667 UMCJFIVJCQSMRR-XPUUQOCRSA-N 197.238 -1.318 0 10 AAAE CC1CN(C(=O)N[C@@H](CN)CO)C1 2241324880 MVMPMAPKFQOZEC-ZETCQYMHSA-N 187.243 -1.033 0 10 AAAE OCCC1(O)CN(C[C@H](O)CF)C1 2241807579 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CCC1(O)CN(C(=O)[C@@H](N)CO)C1 1931762733 AZXHNQXRCLLTKT-LURJTMIESA-N 188.227 -1.711 0 10 AAAE O=C1C[C@H](CN2CCN[C@H]3C[C@@H]32)N1 1931894394 SOTIDHAZFKNKLK-CSMHCCOUSA-N 181.239 -1.079 0 10 AAAE NCCN(CCN)C(=O)c1nn[nH]n1 1931898157 WGMKIEYUGJBOJP-UHFFFAOYSA-N 199.218 -2.441 0 10 AAAE NC(=O)CO[C@@H]1CNCCOC1 1931905069 ZEVRPLCKFJTPKK-ZCFIWIBFSA-N 174.200 -1.523 0 10 AAAE C[C@H]1NC(=O)N([C@H]2CNC(=O)C2)C1=O 1935209178 DAQDEMDFJNSPST-RFZPGFLSSA-N 197.194 -1.185 0 10 AAAE CNC(=O)CN(C)C(=O)CCON 1935255355 AJHSYUDGLQCHDT-UHFFFAOYSA-N 189.215 -1.529 0 10 AAAE C[C@@H](NC(=O)[C@@]1(CN)C[C@H]1C)C(N)=O 1935438516 PLLSIGQETIGDPK-HCVRKRLWSA-N 199.254 -1.039 0 10 AAAE O[C@H]1CCN[C@@H]1Cc1nn[nH]n1 1951987399 INHCPYKXWDWSFG-UHNVWZDZSA-N 169.188 -1.535 0 10 AAAE O=C1NCC[C@@H]1[C@H](O)CO 1952042754 QSNNRVZARRHCGJ-RFZPGFLSSA-N 145.158 -1.524 0 10 AAAE NCC[C@H](O)[C@H]1COCCN1 1953336707 HXJYRQHVSWIGPO-RQJHMYQMSA-N 160.217 -1.316 0 10 AAAE NCCNC(=O)CC[C@@H](O)CN 1953356191 IMROXJQRSTZQKS-ZCFIWIBFSA-N 175.232 -1.839 0 10 AAAE N[C@@H](C(=O)O)[C@H](O)c1cnsn1 1953370844 VURSXZRXFFQLCU-QWWZWVQMSA-N 189.196 -1.017 0 10 AAAE CNCC[S@@](=O)C[C@@](C)(O)CO 1953407458 DNEBYCLMYSYSJG-JVXZTZIISA-N 195.284 -1.302 0 10 AAAE CN(C[C@@H](O)CO)[C@@H]1CC[C@@H]1N 1953412895 VCMJPADRRXAJAF-GJMOJQLCSA-N 174.244 -1.239 0 10 AAAE O=C(N[C@H]1CC[C@@H]1O)[C@@H]1CCN1 1953522255 QIDYXDRBAXKJFX-ACZMJKKPSA-N 170.212 -1.012 0 10 AAAE CC(C)(N)CN1CC(O)(CO)C1 1953701203 SOFJOAFAERAFFW-UHFFFAOYSA-N 174.244 -1.237 0 10 AAAE C[S@](=O)N[C@@H]1CNCC[C@H]1CO 1953716087 YQWYLBSGWXMFMZ-KJNMHVQDSA-N 192.284 -1.160 0 10 AAAE C[C@H](O)[C@H](CO)NC[C@@H]1CCN1 1953744410 CJQVUNFDQJMIMY-FXQIFTODSA-N 174.244 -1.320 0 10 AAAE CN(CC(N)=O)C[C@H]1C[C@@H]1CN 1953747938 ASZUOBNDALOXQB-RNFRBKRXSA-N 171.244 -1.002 0 10 AAAE NCC[C@@H](F)C(=O)NC[C@@H](O)CO 1954184615 PZJKDOBGPRUZSQ-PHDIDXHHSA-N 194.206 -1.857 0 10 AAAE C[C@@H](O)[C@@H](N)C(=O)NOCC(N)=O 1954249380 AIDYNLSYFAUQGL-NQXXGFSBSA-N 191.187 -2.772 0 10 AAAE O=C1CN([C@@H]2CONC2=O)C(=O)N1 1954267017 DAKXGKCHDINUDI-GSVOUGTGSA-N 185.139 -2.032 0 10 AAAE N=C(N)CN1C[C@H]2C[C@H]1[C@@H](O)[C@H]2O 1954513770 XHUCTDROHJLZIK-HETMPLHPSA-N 185.227 -1.652 0 10 AAAE N=C(N)CN1C[C@@H]2C[C@H]1[C@H](O)[C@@H]2O 1954513774 XHUCTDROHJLZIK-MGVQOFIGSA-N 185.227 -1.652 0 10 AAAE NC(=O)C1(N=c2ncs[nH]2)CNC1 1954701305 XOAZXEJWSIPRMR-UHFFFAOYSA-N 199.239 -1.801 0 10 AAAE CNCC(=O)NC[C@](C)(O)CCO 1954724955 LUGPCXZCEBOPID-MRVPVSSYSA-N 190.243 -1.545 0 10 AAAE CNC(=O)CNC(=O)[C@]12C[C@H](N)[C@@H]1C2 1955576966 RLECQXGLIBVSGP-ATVXKPNKSA-N 197.238 -1.414 0 10 AAAE Cn1nnc(=NCCC2(O)CNC2)[nH]1 1955825414 HESKLLHKRSJHNL-UHFFFAOYSA-N 198.230 -2.232 0 10 AAAE Cn1cnc(=N[C@H]2COCC[C@@H]2N)[nH]1 1955827967 BTIUPHUVGXKHOJ-BQBZGAKWSA-N 197.242 -1.235 0 10 AAAE NC(=O)CNC(=O)[C@H]1[C@@H]2CC[C@H]1NC2 1956089658 RJZLVSHLRARSSL-JKMUOGBPSA-N 197.238 -1.414 0 10 AAAE O=C(O)[C@@H]1CNCCN1c1nnco1 1956356129 WNESZRQBVSAORV-YFKPBYRVSA-N 198.182 -1.068 0 10 AAAE CCn1ncc(CN2C[C@H](N)C2=O)n1 1956954067 YPIMVRCNDLMLOS-ZETCQYMHSA-N 195.226 -1.033 0 10 AAAE Cn1nncc1CNC(=O)C1(O)CC1 1964948034 YIKFIGWJHHLENF-UHFFFAOYSA-N 196.210 -1.044 0 10 AAAE Cn1cn[nH]c1=NCC[C@H](O)CO 2209177129 LPEVVLFSVUJEBU-LURJTMIESA-N 186.215 -1.608 0 10 AAAE C[C@H](N=c1nnn(C)[nH]1)[C@H](O)CO 2209177154 MCGSPNAIGDGWTH-CRCLSJGQSA-N 187.203 -2.214 0 10 AAAE CC[C@@H](N=c1nnc(=N)[nH][nH]1)[C@H](C)O 2209553343 DDNYJDDERGFCIL-CRCLSJGQSA-N 198.230 -1.328 0 10 AAAE O=C(O)C(=O)NCCc1c[nH]nc1O 2210075394 IVWDOINOWXCNPK-UHFFFAOYSA-N 199.166 -1.141 0 10 AAAE CN1CCOC[C@H]1CN1CC(O)C1 2241505568 GZXYBRLLYWTBEA-MRVPVSSYSA-N 186.255 -1.007 0 10 AAAE CC[C@@H](N)CNC(=O)[C@H]1C[C@@H]1C(N)=O 2241522046 AMRGMVOVBFXACZ-VQVTYTSYSA-N 199.254 -1.039 0 10 AAAE CONC(=O)c1nc(CN)no1 2241731184 VZPFUKDMQGNDGJ-UHFFFAOYSA-N 172.144 -1.181 0 10 AAAE C[C@@H](O)[C@@H](O)[C@@H](O)[C@@H](O)C(=O)O 8551405 NBFWIISVIFCMDK-TXICZTDVSA-N 180.156 -2.466 0 10 AAAE endogenous,in-vitro N[C@H](CO)CS(=O)(=O)O 13354433 IISXMZMYCYNVES-GSVOUGTGSA-N 155.175 -1.806 0 10 AAAE OCc1nccnc1C[C@@H](O)CO 13399711 BHBFTMZAKOOKIZ-ZCFIWIBFSA-N 184.195 -1.135 0 10 AAAE CS(=O)(=O)CCC(=O)NCCN 38008320 WIGGJORKVLZXBH-UHFFFAOYSA-N 194.256 -1.504 0 10 AAAE O[C@H]1[C@@H]2C[C@@H]3[C@H](O)O[C@H]1[C@@H]3O2 39116061 WQMPRKOWBONYTH-YQHQLQMSSA-N 158.153 -1.148 0 10 AAAE NC(=O)C(F)(F)C[C@@H](N)C(=O)O 39185125 GFRKSCVVDVJWRU-UWTATZPHSA-N 182.126 -1.091 0 10 AAAE O=C1NC(=O)N(Cc2cn[nH]c2)C1=O 42356548 GGGQPDHKHOLPJI-UHFFFAOYSA-N 194.150 -1.012 0 10 AAAE Cn1nnnc1OCCCN 62939617 CZHARWRREQNXTJ-UHFFFAOYSA-N 157.177 -1.062 0 10 AAAE NC(=O)NC(=O)CCN1CC(O)C1 70840549 MNOTZFZALFCBCX-UHFFFAOYSA-N 187.199 -1.752 0 10 AAAE NC(=O)c1cnc2nc(N)nn2c1 72416948 CZRALXXVTRKPCY-UHFFFAOYSA-N 178.155 -1.195 0 10 AAAE CCOC(=O)[C@@H]1C[C@H](N)C(=O)N1 75562115 XOPSMHYDWOLJAD-WHFBIAKZSA-N 172.184 -1.235 0 10 AAAE O=C1CC(=O)NCN1 81914759 NDIYBOBXJSFBHO-UHFFFAOYSA-N 114.104 -1.420 0 10 AAAE CN(C)C[C@H]1C[C@@H](O)CN1C1CNC1 85082845 NXVGEIFULYEHRT-PSASIEDQSA-N 199.298 -1.045 0 10 AAAE NCCOCC(=O)NCCC(N)=O 86434396 MNHBZPDYZHYUTJ-UHFFFAOYSA-N 189.215 -2.047 0 10 AAAE N[C@H](CCO)CSC[C@@H](O)CO 86662200 YTEQDAXOTQSHPO-RQJHMYQMSA-N 195.284 -1.218 0 10 AAAE C[C@@H](NC(=O)c1nnn[nH]1)C(N)=O 87441834 WSAYBCFYCFXUPD-UWTATZPHSA-N 184.159 -2.197 0 10 AAAE O=C1CN(CCF)C(=O)CN1 87778495 AURXQKHFMFDFSL-UHFFFAOYSA-N 160.148 -1.086 0 10 AAAE CON(C)C(=O)[C@](C)(O)CO 97974477 OCUWTNWBSAMXBI-ZCFIWIBFSA-N 163.173 -1.251 0 10 AAAE in-vitro Cn1nc(CN)n(C)c1=O 104584944 PNFXOKOOZZBNAI-UHFFFAOYSA-N 142.162 -1.423 0 10 AAAE CCC(NCO)NCO 104692643 CLBNRHMTBCGVGZ-UHFFFAOYSA-N 134.179 -1.199 0 10 AAAE C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)CO 105558126 NJSUAAJHYPEVBZ-OIADKPKDSA-N 194.183 -2.989 0 10 AAAE N[C@@H](C(=O)O)[C@H]1CC(=O)NC1=O 105589134 KJACXKDPAJZNDU-VVJJHMBFSA-N 172.140 -1.939 0 10 AAAE CN1C(=O)C[C@@H](N(C)CCN)C1=O 105933603 UXZSXGPWEXCLEV-ZCFIWIBFSA-N 185.227 -1.366 0 10 AAAE N[C@H]1CNC(=O)[C@H]1O 107114408 NBIQBOVYJFOTLH-HRFVKAFMSA-N 116.120 -2.196 0 10 AAAE O=C(O)[C@@H](CO)NP(=O)(O)O 112929675 ARBKBBKXTZQHMK-UWTATZPHSA-N 185.072 -1.886 0 10 AAAE CC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO 113079803 HUYORHVLGRMTGF-AXMZGBSTSA-N 180.200 -2.168 0 10 AAAE OC[C@H](O)C1(O)CC1 113312685 NYBHVMKYKLKPRS-BYPYZUCNSA-N 118.132 -1.136 0 10 AAAE NC(=O)[C@H]1CCCN1C(=O)CO 116341894 LXCXYTPSNJOTPN-RXMQYKEDSA-N 172.184 -1.545 0 10 AAAE CN(CCCN)C[C@@H](O)CO 121980045 XIWIPVBQNSGVIS-SSDOTTSWSA-N 162.233 -1.380 0 10 AAAE C[C@@]1(O)CO[C@@H](O)[C@H](O)[C@@H]1O 138121009 KTJJIINUJWBLBI-JGWLITMVSA-N 164.157 -2.192 0 10 AAAE N[C@H]1C[C@@H](N)[C@@H](O)[C@H]1O 146869702 GXKNYVWWIKKQGK-VERZDPOYSA-N 132.163 -2.234 0 10 AAAE CC(C)N(CCO)S(N)(=O)=O 161021576 IKAONYVYGCAQML-UHFFFAOYSA-N 182.245 -1.107 0 10 AAAE N[C@@H]1CCC[C@H]1CNS(N)(=O)=O 167566061 KKJPRZDKSOFZNZ-NTSWFWBYSA-N 193.272 -1.093 0 10 AAAE CNC(=O)[C@@]1(NC(C)=O)CC[C@@H]1O 169496897 RPWPNJGCEXKADH-POYBYMJQSA-N 186.211 -1.238 0 10 AAAE CCN(CCO)C(=O)Cc1nnn[nH]1 169861566 MOBXRWFOPYFLQH-UHFFFAOYSA-N 199.214 -1.417 0 10 AAAE Cc1c(=O)[nH]c(CO)c[n+]1[O-] 196789790 FAQWXBYEAILUSO-UHFFFAOYSA-N 156.141 -1.191 0 10 AAAE CNC(=O)CC[C@@H](N)C(=O)NC 201188685 TZSRAYKNIRAOHN-RXMQYKEDSA-N 173.216 -1.414 0 10 AAAE C[C@@H](O)[C@@H](O)CCC(N)=O 212003487 CMURXWOYNFOUDR-UHNVWZDZSA-N 147.174 -1.006 0 10 AAAE CN1C[C@@H](N)[C@H](CC(N)=O)C1 215234559 ZIGDTUNEHHKXMH-PHDIDXHHSA-N 157.217 -1.249 0 10 AAAE NC(=O)C1OCC2(CNC2)CO1 215359130 UQPMDTHHPUKRNU-UHFFFAOYSA-N 172.184 -1.566 0 10 AAAE COC(=O)[C@@H]1OC[C@@H](OC)[C@H]1N 216349851 RSYOLFBHKQUDCQ-HSUXUTPPSA-N 175.184 -1.100 0 10 AAAE COC(=O)Cn1nnc(CO)n1 216514183 RMXKVXIHOYBXHV-UHFFFAOYSA-N 172.144 -1.662 0 10 AAAE CNC(=N)N[C@H](C)CC(N)=O 220560803 QHTLQOMJNHEZHB-SCSAIBSYSA-N 158.205 -1.006 0 10 AAAE O=S1(=O)C[C@H]1O 223176559 YJIUWVABEBUMST-REOHCLBHSA-N 108.118 -1.267 0 10 AAAE CN[C@H](C)C(=O)N1CC(O)C1 227273627 QEYOMJHAKKKJFJ-RXMQYKEDSA-N 158.201 -1.203 0 10 AAAE CN1C(=O)C[C@@H](N2C[C@H](N)C2=O)C1=O 227626981 AYBZONHEHIFPIV-CRCLSJGQSA-N 197.194 -2.087 0 10 AAAE C[C@H](N)CC(=O)NC[C@@H](O)C(N)=O 228727156 DEBRJDWZXMJNIW-CRCLSJGQSA-N 189.215 -2.314 0 10 AAAE COC[C@H](O)[C@H](O)[C@@H](O)C(=O)O 238380896 DJQLRCBUDAKBFO-VAYJURFESA-N 180.156 -2.200 0 10 AAAE O=C(O)[C@H]1C[C@](O)(C(=O)O)C(=O)O1 238630490 PNBVYIFWXXVTHY-IPSUSAMASA-N 190.107 -1.798 0 10 AAAE O=C(NC1CCNCC1)[C@@H](O)CO 238706859 ZZHRLBOUMZGYTN-ZETCQYMHSA-N 188.227 -1.792 0 10 AAAE OC[C@H](O)COC[C@H](O)[C@@H](O)CO 238708556 CQZULWGMXCWSDE-ACZMJKKPSA-N 196.199 -2.930 0 10 AAAE COC(=O)[C@H]1CN2CC(=O)C[C@H]2CN1 250364401 IORHNIREDSZHMY-POYBYMJQSA-N 198.222 -1.225 0 10 AAAE CO[C@@H]1O[C@H](C)[C@H](N)[C@H](O)[C@H]1O 256015817 ZKLOBJYVQKYNSP-VOQCIKJUSA-N 177.200 -1.573 0 10 AAAE O[C@H]1C[C@@H]2N[C@]1(O)[C@@H](O)C[C@H]2O 257405995 DJTRTWALNSXKOG-MLKOFDEISA-N 175.184 -2.477 0 10 AAAE endogenous,in-man COC(=O)[C@@H](N)c1nc2n(n1)CCN2 260398808 KVPLRCQEKMIVHG-BYPYZUCNSA-N 197.198 -1.124 0 10 AAAE COC[C@H](CO)N[C@H]1COC[C@H]1O 300395277 WDYHVLWARMVLTK-BIIVOSGPSA-N 191.227 -1.657 0 10 AAAE COC[C@@H](N)C[S@@](=O)CC(N)=O 300750060 GGTCAXQGCSEMHH-DAZVOFDJSA-N 194.256 -1.806 0 10 AAAE COC(=O)[C@H](CN)SCC(N)=O 300949671 FHZIQHBYPWRMBR-BYPYZUCNSA-N 192.240 -1.295 0 10 AAAE O=C1CN(C(=O)[C@H]2CCO2)CCN1 306254433 NYYIGANOGKWWAM-ZCFIWIBFSA-N 184.195 -1.266 0 10 AAAE C[C@]1(O)[C@@H](O)C(=O)O[C@H]1C(=O)O 306285420 UJQWVQTXXOLJDV-XCXIMHFFSA-N 176.124 -1.892 0 10 AAAE CC(=O)N[C@@H]1CO[C@H](O)[C@@H](F)[C@H]1O 306289077 NNCULZRKZKAXDA-BWBBJGPYSA-N 193.174 -1.461 0 10 AAAE CO[C@@H]1[C@H](O)O[C@H](CO)[C@H]1OC 306375630 LVAJSMKIHHMQGU-MVIOUDGNSA-N 178.184 -1.274 0 10 AAAE NC(=O)CNC(=O)c1nc(=O)[nH][nH]1 306566622 BEQDVYGHAFYCNO-UHFFFAOYSA-N 185.143 -2.687 0 10 AAAE C[C@@H]1C[C@@H](O)CN1C[C@@H](N)C(=O)O 306697404 ZGVQXNINYZJTKS-FSDSQADBSA-N 188.227 -1.147 0 10 AAAE OC(O)[C@@H]1O[C@H](O)[C@H](O)O1 306825923 YQHKPULJSWMBDF-KPIAHEAESA-N 152.102 -2.693 0 10 AAAE OC[C@@]1(O)O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O 306865401 MRUURWHHXFCJSK-RWOPYEJCSA-N 196.155 -3.901 0 10 AAAE C[C@@H]1O[C@](O)(CO)[C@H](O)[C@H](O)[C@@H]1O 307032628 QGDAKKGEZOUGCL-CQOGJGKDSA-N 194.183 -2.831 0 10 AAAE N[C@@H]1NC[C@@H](F)C(=O)N1 307098893 RCRDPGRYNIMYCS-VVJJHMBFSA-N 133.126 -1.714 0 10 AAAE OC(O)[C@H]1O[C@H](C(O)O)[C@@H](O)[C@@H]1O 307163965 JHKSZZDOBCFHMO-LDHWTSMMSA-N 196.155 -3.903 0 10 AAAE C[C@@H](C(N)=O)N1CC(C(N)=O)C1 307343662 JGHIHHLQCZQPAN-BYPYZUCNSA-N 171.200 -1.723 0 10 AAAE C[C@@H](N)C(=O)NCc1nnnn1C 307346921 XBXNUTYTGOCKJY-SCSAIBSYSA-N 184.203 -1.827 0 10 AAAE N[C@H]1CCN(C(=O)[C@H]2CCN2)C1 307362235 GBGOXUWHZXKKOY-NKWVEPMBSA-N 169.228 -1.092 0 10 AAAE NCC1(O)CCN(C(N)=O)CC1 307398120 XTTPQJOSSBBYKW-UHFFFAOYSA-N 173.216 -1.149 0 10 AAAE N=C[C@@H](O)[C@@H](O)[C@H](O)C(N)=O 307658761 SIUKMDOTDRRMDT-JJYYJPOSSA-N 162.145 -2.796 0 10 AAAE C[S@@](=O)NC[C@@](C)(O)C(=O)O 307703447 RKJHXXGFSXNOMW-BLTYZCFWSA-N 181.213 -1.295 0 10 AAAE CC(=O)OC[C@@H](O)C[C@H](O)CO 308071557 BSDJIUAPCSSWBR-BQBZGAKWSA-N 178.184 -1.346 0 10 AAAE O=C1OC[C@H]([C@@H](O)C[C@H](O)CO)O1 308223733 PNMDIRLYWOUZFP-HCWXCVPCSA-N 192.167 -1.374 0 10 AAAE 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Cc1nnn(C)c1[C@@H](O)C1(N)COC1 1957029960 NIHAQJMTNIKFJZ-SSDOTTSWSA-N 198.226 -1.115 0 10 AAAE CNC1([C@@H](O)c2ncn(C)n2)COC1 1957043330 UBMNSYLEMGDGIF-LURJTMIESA-N 198.226 -1.163 0 10 AAAE C[C@H](O)[C@@H](CO)NC(=O)c1cn[nH]c1 1957182788 IJJQAXBRCXQNPL-CAHLUQPWSA-N 199.210 -1.119 0 10 AAAE Cn1nnc(=NC[C@H](O)C(N)=O)[nH]1 2209180876 UREIUXKJAINVGN-VKHMYHEASA-N 186.175 -3.110 0 10 AAAE C[C@H](C(=O)O)[S@](=O)C[C@@H](N)CO 2241798819 VHSIAUACLLJWFN-KJIVDTOLSA-N 195.240 -1.472 0 10 AAAE Cn1nnnc1[C@]1(O)[C@@H]2CNC[C@H]1C2 2241814868 SLAIIIIBWUWPAX-UQWHLADISA-N 195.226 -1.363 0 10 AAAE CO[C@@H](CO)CNC(=O)CCNO 2242440964 PXJDNVGISYINBA-ZCFIWIBFSA-N 192.215 -1.521 0 10 AAAE NC(=O)[C@H](O)C[C@@H](N)C(=O)O 14453729 VTJRNXQBJNWLRA-PWNYCUMCSA-N 162.145 -2.365 0 10 AAAE endogenous,in-man NC(=O)[C@@H]1O[C@@H]1C(=O)O 14618971 FCFUXIZBMYCYHI-NCGGTJAESA-N 131.087 -1.676 0 10 AAAE O=CN1C(O)=NC(=O)[C@H]1O 32193704 LJFFFJAFJCDBRH-GSVOUGTGSA-N 144.086 -1.783 0 10 AAAE C[C@H](CO)NC(=O)[C@H]1C[C@H](O)CN1 35606045 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AAAE CN[C@H]1CN=C(NC(N)=O)NC1 238334864 CBHUATPSCWGYSW-UHFFFAOYSA-N 171.204 -1.798 0 10 AAAE CO[C@@H]1OC[C@H](O)[C@@H](O)[C@@]1(O)CN 238343532 FAWGJKIPCJGTAQ-WNJXEPBRSA-N 193.199 -2.599 0 10 AAAE N[C@H](/C=C/C[C@@H](N)C(=O)O)CO 238585661 PCLVUFMOCBKDOZ-IYTQHBPKSA-N 174.200 -1.336 0 10 AAAE O[C@H]1SC[C@H](O)[C@@H](O)[C@@H]1O 238707407 QWVJFKXOINHVGD-QTBDOELSSA-N 166.198 -1.866 0 10 AAAE COC[C@H](O)CN(C)C[C@H](O)CO 250357499 CHUHHZHPSYEWNF-JGVFFNPUSA-N 193.243 -1.721 0 10 AAAE CO[C@@H]1OC[C@H](O)[C@@H](O)[C@]1(O)CO 257388812 BPSOIZOBAMTVGX-BDVNFPICSA-N 194.183 -2.566 0 10 AAAE COC[C@@H]1O[C@H](O)[C@H](N)[C@H](O)[C@H]1O 257487601 MUPYEUZUBZGRSB-REQIZBSHSA-N 193.199 -2.601 0 10 AAAE CN1CC[C@@H](N(C)C[C@H](O)CN)C1 258877010 GHSDXVHJJLQRHA-RKDXNWHRSA-N 187.287 -1.058 0 10 AAAE OC[C@@H]1O[C@H](NO)[C@H](O)[C@H](O)[C@H]1O 299814507 KXJMZHQGEGAKAK-YJRYQGEOSA-N 195.171 -3.235 0 10 AAAE Cc1cc(NC[C@@H](N)C(N)=O)nn1C 300930062 VUMKCSLTYIHPOI-ZCFIWIBFSA-N 197.242 -1.047 0 10 AAAE COC(=O)[C@@H](CN)n1cncn1 301009330 LTHAIYZFJRTKGX-RXMQYKEDSA-N 170.172 -1.049 0 10 AAAE CN[C@@H]1[C@H](O)[C@H](C)O[C@H](O)[C@H]1O 306166076 LTDXYBCXOXBTJR-XUVCUMPTSA-N 177.200 -1.967 0 10 AAAE Cn1oc(C(=O)NCCO)cc1=O 306262512 MDNSYIHGNCXMSQ-UHFFFAOYSA-N 186.167 -1.300 0 10 AAAE N[C@@H]1NC(=O)[C@@H]2OC(=O)[C@@H](O)[C@@H]2N1 306351825 YFROGGUVBKTSTJ-BTGFTTFUSA-N 187.155 -3.397 0 10 AAAE NC(=O)Cn1ncoc1=O 306362187 RQXSJCATDKIPFA-UHFFFAOYSA-N 143.102 -1.678 0 10 AAAE C[C@H](O)[C@@H]1O[C@H](CO)[C@H]1CO 306368618 IQPHEEKBEHJEPL-WNJXEPBRSA-N 162.185 -1.265 0 10 AAAE CO[C@@H]1[C@H](O)[C@H]2OC[C@@](C)(O2)[C@@H]1O 306369396 JJRGIYNTQKECFS-FMGWEMOISA-N 190.195 -1.132 0 10 AAAE O=C(N[C@@H]1COC[C@@H]1O)[C@H]1CCO1 306402254 QLSJQNVCQYNGBR-DSYKOEDSSA-N 187.195 -1.349 0 10 AAAE CNC(=O)C(=O)Nc1ncn(C)n1 306474364 VSQNXYRUPCXCPU-UHFFFAOYSA-N 183.171 -1.500 0 10 AAAE C[C@@H]1C(=O)NCCN1C(=O)[C@@H]1CCN1 306522785 QKOAKNSGEXFNAJ-RQJHMYQMSA-N 197.238 -1.305 0 10 AAAE C[C@H](CNC(N)=O)S(N)(=O)=O 306604888 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C[C@@H](NC[C@@H](N)C(N)=O)c1ncon1 398079717 RFJQBHPOBLPSFM-RFZPGFLSSA-N 199.214 -1.467 0 10 AAAE C1N[C@H]2C[C@H]1N(Cc1nn[nH]n1)C2 402512914 HIINARPDBZGRCH-NTSWFWBYSA-N 180.215 -1.254 0 10 AAAE OCCN1CCN2C[C@H](O)C[C@@H]2C1 405325346 WSKOFVNJOPLWFS-RKDXNWHRSA-N 186.255 -1.271 0 10 AAAE CNC(=O)N[C@H](C)[C@@H](O)CO 575576054 PNGKWFHZEPCRAS-UHNVWZDZSA-N 162.189 -1.343 0 10 AAAE O[C@H]1N[C@@H]2NCC[C@H]2[C@@H](O)N1 585663410 QGBRZRKXQZKUDD-MOJAZDJTSA-N 159.189 -2.291 0 10 AAAE CC(C)=CCNC(C(N)=O)C(N)=O 695305575 OVKXPNOXYXKOQS-UHFFFAOYSA-N 185.227 -1.119 0 10 AAAE Cn1nnc([C@@H]2CCN[C@@H]2C(=O)O)n1 697221701 JEZKLLGRQJGCKQ-UHNVWZDZSA-N 197.198 -1.260 0 10 AAAE C[C@H](N)CC(=O)N[C@H](C)[C@H](O)CO 698891755 JFSUMIMUSXVRGD-RRKCRQDMSA-N 190.243 -1.418 0 10 AAAE C[C@@H](NS(N)(=O)=O)[C@@H](O)CO 698906875 TZOPTWYWKIMSDV-DMTCNVIQSA-N 184.217 -2.479 0 10 AAAE O=C1CCN(C(=O)Cn2cnnn2)C1 701249734 PZXSASILCMYAEL-UHFFFAOYSA-N 195.182 -1.526 0 10 AAAE CN(C)C[C@H](N)c1nnc(N)n1N 702214149 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-1.822 0 10 AAAE OC[C@H](O)COC[C@H](O)[C@H](O)CO 166554923 CQZULWGMXCWSDE-XVMARJQXSA-N 196.199 -2.930 0 10 AAAE O=C1NC(=O)[C@H](F)[C@@H](NO)N1 167569755 LXUPLBNXJNNFFV-JCYAYHJZSA-N 163.108 -1.531 0 10 AAAE NC(=O)C1=CN(O)[C@@H](C(=O)O)C1 169331795 OASHILUTDCBZTP-SCSAIBSYSA-N 172.140 -1.096 0 10 AAAE N[C@@H]1[C@H](O)[C@@H](O)O[C@@H](CO)[C@H]1O 169743886 BQCCAEOLPYCBAE-QYESYBIKSA-N 179.172 -3.255 0 10 AAAE CN(C)C(=O)CNN1CCOCC1 196283861 VAFRVFREJPPJSM-UHFFFAOYSA-N 187.243 -1.089 0 10 AAAE N[C@H]1CC[C@H](CC(=O)O)OB1O 200238944 FYWWLCNXLNICKV-UHNVWZDZSA-N 172.977 -1.013 0 10 AAAE O=C1NC[C@@H](C(=O)NCCO)O1 201787097 MOULUWMFAAKZJA-BYPYZUCNSA-N 174.156 -1.797 0 10 AAAE CO[C@@H]1CNC[C@H](CO)O1 210800182 BLCNYFFKDWCFNU-RITPCOANSA-N 147.174 -1.060 0 10 AAAE NC(=O)[C@H](O)[C@H](O)c1nn[nH]n1 212758064 XDUBAVZHQARDDN-NCGGTJAESA-N 173.132 -2.921 0 10 AAAE NC(=O)[C@@H](N)CNC1=NCCC1 215312032 MITSHUUXFQZYDV-YFKPBYRVSA-N 170.216 -1.419 0 10 AAAE NC(=O)[C@H]1CNCC(=O)C1 215335673 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C[C@H](NC(=O)CCC(N)=O)C(=O)O 238463169 QZNSPFHBIKCKHV-BYPYZUCNSA-N 188.183 -1.159 0 10 AAAE Cn1nnc2c1CNC(N)=N2 238535446 SWGZBHPSORKDNC-UHFFFAOYSA-N 152.161 -1.136 0 10 AAAE NC(=O)CC[C@H](NCC=O)C(=O)O 238538593 COEUYNGYFHAGER-YFKPBYRVSA-N 188.183 -1.506 0 10 AAAE NC(=O)[C@H](N)Cc1nnn[nH]1 238601794 ZCHSCSXAQIVALW-UWTATZPHSA-N 156.149 -2.445 0 10 AAAE O=C(O)C[C@]1(O)C[C@@H](CO)OC1=O 238657920 MQLJHKXDNJXKOL-MHTLYPKNSA-N 190.151 -1.500 0 10 AAAE O=C(O)CN1C[C@@H](CO)OC1=O 258084445 VZNWHUZVCCMBCA-BYPYZUCNSA-N 175.140 -1.116 0 10 AAAE COCCCNC[C@H](N)CN 258970881 NPVIBISNPWDYNC-SSDOTTSWSA-N 161.249 -1.102 0 10 AAAE CNCCS(=O)(=O)CC(N)=O 300747361 DKVTZKAJNKZLKV-UHFFFAOYSA-N 180.229 -1.894 0 10 AAAE CC(=O)N1CCC(N)(C(N)=O)CC1 300819726 IODOEQYVFXBMBQ-UHFFFAOYSA-N 185.227 -1.189 0 10 AAAE N[C@@H]1[C@@H](O)C[C@H]2OC[C@H]1O2 306197196 OUXQBMHNPRUBPI-BGPJRJDNSA-N 145.158 -1.180 0 10 AAAE C[C@H](NC(N)=O)C(=O)N1CC1 306218117 KZTHJXAJOSHHEW-BYPYZUCNSA-N 157.173 -1.115 0 10 AAAE Cn1nnnc1[C@@]1(C(=O)O)CCOC1 306282627 NSEDOAGQQVPTFR-SSDOTTSWSA-N 198.182 -1.047 0 10 AAAE C[C@@](CO)(C(=O)O)N1CCNC1=O 306368746 DXWUHFVOJHPKDY-SSDOTTSWSA-N 188.183 -1.153 0 10 AAAE N[C@@H]1NC(=O)[C@@H]2C[C@H](CO)CC[C@H]2N1 306416762 RDTUFERDQQIALG-PULFBKJNSA-N 199.254 -1.275 0 10 AAAE Cn1cnc([C@@H](O)[C@H](N)C(=O)O)c1 306425249 OHESQABKCICXAB-NTSWFWBYSA-N 185.183 -1.135 0 10 AAAE CN1C[C@H](O)[C@@H](O)[C@@H](O)C=N1 306446053 ULKZNPOSDUXCTM-ZLUOBGJFSA-N 160.173 -2.000 0 10 AAAE Cc1nccn(C[C@@H](N)C(=O)O)c1=O 306477015 ZRWJOMCYENBTFL-ZCFIWIBFSA-N 197.194 -1.036 0 10 AAAE C[C@@H](O)CN1CC[C@@](O)(C(N)=O)C1 306522156 GWXSEGLBOMWTCO-SVRRBLITSA-N 188.227 -1.711 0 10 AAAE O=NN1C[C@H]2O[C@H]1[C@H](O)[C@H](O)[C@@H]2O 306666780 GGCHJPBXAUVJGK-UKFBFLRUSA-N 190.155 -2.209 0 10 AAAE CNS(=O)(=O)N1C[C@H](O)CO1 306686928 KVYCCPKNIHJBIA-BYPYZUCNSA-N 182.201 -1.941 0 10 AAAE O=C1NCC[C@H]2NCCN[C@@H]12 306689926 LNTBGCQYGWNOAY-PHDIDXHHSA-N 155.201 -1.564 0 10 AAAE C[C@@H](CN)NC(=O)[C@H]1C[C@@H](O)CN1 306703773 BGBUYNRGHUERJO-RRKCRQDMSA-N 187.243 -1.827 0 10 AAAE C[C@H](N)[C@@H](C)n1c(=O)[nH][nH]c1=O 306734391 OCDALNJYSCSJSU-IUYQGCFVSA-N 172.188 -1.227 0 10 AAAE CNC(=O)[C@H]1CCN([C@@H](C)C(N)=O)C1 306905366 KZBLIFZFTXEQFF-BQBZGAKWSA-N 199.254 -1.072 0 10 AAAE CNCC(C)(C)n1c(=O)[nH][nH]c1=O 307018066 WPJPEGQUZHVHJZ-UHFFFAOYSA-N 186.215 -1.181 0 10 AAAE Cn1nncc1CN1CC(N)C1 307157560 QPXFQHHHGFMRQN-UHFFFAOYSA-N 167.216 -1.042 0 10 AAAE O=C([C@@H]1CCO1)N1C[C@H](O)[C@H](O)C1 307188960 CCRPPROHSGXZCE-XVMARJQXSA-N 187.195 -1.661 0 10 AAAE O=CN1C[C@H](O)[C@@H](CO)C1 307271065 QTONVGKUILEMPA-RITPCOANSA-N 145.158 -1.572 0 10 AAAE NS(=O)(=O)N1CCN2CC[C@H]1C2 307293550 MNBPECHBTGXZBA-LURJTMIESA-N 191.256 -1.420 0 10 AAAE NCC(=O)N1CC[C@@](O)(C(=O)O)C1 307346773 MGMUHHRHBDXHMI-ZETCQYMHSA-N 188.183 -2.007 0 10 AAAE O=C1CN(C(=O)[C@@H]2CCN2)CC(=O)N1 307510933 OVVXRRZHRBQZFG-YFKPBYRVSA-N 197.194 -2.167 0 10 AAAE N[C@H](O)[C@H](O)[C@H](O)[C@@H](O)CO 307567874 RHMZEZFUUWYJOV-NRXMZTRTSA-N 167.161 -3.662 0 10 AAAE O=S(=O)(O)[C@]1(O)CCNC1 307642678 KIHXJDIIXYVCCI-SCSAIBSYSA-N 167.186 -1.444 0 10 AAAE C[C@@H]1C(=O)N2C[C@H](O)[C@H](CO)O[C@H]12 307683668 UUEQQQLOTKRUNR-FZGKIIIMSA-N 187.195 -1.457 0 10 AAAE C[C@H]1O[C@H](O)[C@H](O)[C@H]1CO 307686038 AVNAGTGLBGGPNZ-MOJAZDJTSA-N 148.158 -1.307 0 10 AAAE O=C1OCC[C@@H]2[C@@H](O)[C@@H](O)CON12 307719617 NLYQGCJSRMBESR-NGJCXOISSA-N 189.167 -1.136 0 10 AAAE COC(=O)[C@]1(O)OC[C@@H](O)C[C@@H]1O 307744523 PAHVWQHCIRBHCC-KZLJYQGOSA-N 192.167 -2.010 0 10 AAAE NOCCNC[C@H](O)C(=O)O 307878408 VQMXQJLEBOSZBW-BYPYZUCNSA-N 164.161 -2.088 0 10 AAAE COC1CN(C[C@@H](N)C(=O)O)C1 308114479 LUQXGIHAURHZSH-ZCFIWIBFSA-N 174.200 -1.271 0 10 AAAE C[C@@H](CN(C)C)OC(=O)[C@@H](N)CO 308182925 DMVNZWFCOJULKO-BQBZGAKWSA-N 190.243 -1.201 0 10 AAAE C[C@H](O)[C@H]([C@H](O)[C@@H](O)CO)N(C)C 308187072 GNZUVBKHSUTLLQ-RULNZFCNSA-N 193.243 -1.989 0 10 AAAE COC[C@](C)(NC[C@@H](C)O)C(N)=O 308251556 FSBKJPZGOCMGGT-SVRRBLITSA-N 190.243 -1.153 0 10 AAAE CONCC(=O)NCCC(=O)OC 308449759 CWMQLIPJTQCIFM-UHFFFAOYSA-N 190.199 -1.183 0 10 AAAE C[C@H]1CC[C@H]1NC(=O)C(=O)NCCN 308633145 ZUTATWOLYPZMDM-NKWVEPMBSA-N 199.254 -1.024 0 10 AAAE CN(C)C(=O)CC(=O)N[C@H]1CCNC1 308925799 IDHWMQPQLGTENX-ZETCQYMHSA-N 199.254 -1.057 0 10 AAAE CNCCSC[C@@H](N)C(N)=O 382655928 JQGLIIBOCREHGB-RXMQYKEDSA-N 177.273 -1.248 0 10 AAAE CC[S@@](=O)N[C@H](CO)C(=O)O 385622476 FGLYGVHVJNYGEZ-IOHHNLJHSA-N 181.213 -1.295 0 10 AAAE CCOC(=O)CN[C@H](CO)CCO 388639455 NYTSNTUNNFIVDZ-ZETCQYMHSA-N 191.227 -1.118 0 10 AAAE C[S@](=N)(=O)N1C[C@@H](O)[C@@H](CO)C1 404650430 QXQWZATUYAUFSZ-IJESPZCISA-N 194.256 -1.137 0 10 AAAE C[C@@H](N)[C@](C)(O)c1nnnn1C 575460972 JVOJEYXBOMGIHB-XINAWCOVSA-N 171.204 -1.235 0 10 AAAE CO[C@H]1CS(=O)(=O)CC1=O 575461349 XVROVINKGOCQTL-YFKPBYRVSA-N 164.182 -1.001 0 10 AAAE CN1CCN[C@@H](CNC(N)=O)C1 575528404 SGJQSXFTCJATGN-LURJTMIESA-N 172.232 -1.442 0 10 AAAE N=C1NN[C@H](CN)[C@H](O)N1 605655120 WLSQKYSNCLNVFO-GBXIJSLDSA-N 145.166 -2.736 0 10 AAAE Cc1nn(CC(=O)NC(N)=O)cc1N 606271492 OJFHZNPDPXOJOO-UHFFFAOYSA-N 197.198 -1.031 0 10 AAAE CNC[C@@](C)(O)C1=C=NN(C)N1 642832905 CNXIEPYHTGXTLF-SSDOTTSWSA-N 170.216 -1.125 0 10 AAAE CN1NN=C=C1[C@](C)(O)C1CNC1 642855673 BMCWASZSOGXFGN-MRVPVSSYSA-N 182.227 -1.125 0 10 AAAE COC[C@@H](O)c1cnnn1CCN 675080779 VGPIJDJQBGYPAA-SSDOTTSWSA-N 186.215 -1.083 0 10 AAAE C[C@H](NOCC(N)=O)C1CNC1 686249335 ASGJBJISIGZFPP-YFKPBYRVSA-N 173.216 -1.399 0 10 AAAE C[C@](CN)(CC(=O)O)NC=O 686788116 FUKMJNHFRYQYTQ-ZCFIWIBFSA-N 160.173 -1.076 0 10 AAAE O=C1[C@H]2C[C@@H]2C(=O)N1[C@@H]1CNC[C@H]1O 687709547 ZROYYSDYEGJTFV-VWDOSNQTSA-N 196.206 -1.676 0 10 AAAE CN1CCN(CC(N)=O)[C@H](CO)C1 699452498 CEROHLXRHLDXBO-ZETCQYMHSA-N 187.243 -1.920 0 10 AAAE CN(C(CO)CO)[C@H]1CC[C@@H]1O 704098596 XSEWAAFFGUMHTA-YUMQZZPRSA-N 175.228 -1.205 0 10 AAAE C[C@H](CN)N1C[C@@H](CO)[C@H](CO)C1 704676229 LVGJLWVSVXGTHB-VGMNWLOBSA-N 188.271 -1.134 0 10 AAAE CN1CCC[C@H](C(=O)NCC(N)=O)C1 705917064 JEGAGAPQHKINOD-ZETCQYMHSA-N 199.254 -1.070 0 10 AAAE COC(=O)[C@H]1CNC(=O)[C@H]1CO 709954293 JRDKNIDPCCGJBU-WHFBIAKZSA-N 173.168 -1.486 0 10 AAAE CN1CC[C@H]1CN1C(=O)CNCC1=O 712293753 QHZPRBPYNWONNC-ZETCQYMHSA-N 197.238 -1.351 0 10 AAAE N[C@@H]1CCN(CCn2cnnn2)C1 712550986 HYAOUCBAHLGLND-SSDOTTSWSA-N 182.231 -1.294 0 10 AAAE NC[C@@H](O)C(=O)NCCO 714536311 ONINOMKKPZVBFH-SCSAIBSYSA-N 148.162 -2.586 0 10 AAAE CN(C)C[C@H](CO)NC[C@@H](O)CF 716701173 NEYWVQCXSVTZAZ-SFYZADRCSA-N 194.250 -1.171 0 10 AAAE NC(=O)NC(=O)CN[C@@]12COC[C@@H]1C2 718076102 XEPPFYURQHOREG-XNCJUZBTSA-N 199.210 -1.440 0 10 AAAE N[C@H](CO)c1cn([C@@H]2CC[C@H]2O)nn1 718142095 VUYPATSLUHAHLY-LPBLVHEISA-N 198.226 -1.034 0 10 AAAE NC(=O)[C@@H]1COCCN1C[C@H]1CCN1 722139681 VNUDOBMWNOEZPG-SFYZADRCSA-N 199.254 -1.466 0 10 AAAE CNCC1=C=[N+]([C@@H]2CC[C@@H]2O)NN1 885408890 INOHFUMOPRCBDM-SFYZADRCSA-N 183.235 -1.682 0 10 AAAE CC[N+]1=C=C([C@@]2(N)CCOC2)NN1 885409105 MMSZLPQHSABBGF-MRVPVSSYSA-N 183.235 -1.287 0 10 AAAE C[C@@H](O)[C@@H](C)[N+]1=C=C(C(=O)O)NN1 885470860 VHCJNUUMLMPULK-RFZPGFLSSA-O 186.191 -1.571 0 10 AAAE C[C@H]1C[C@H](O)CN1CC1=C=[N+](C)NN1 885819053 BXZDXEWLNWSRIF-CBAPKCEASA-N 197.262 -1.340 0 10 AAAE CC(=O)N[C@H](C(=O)O)C1=C=NN(C)N1 885890568 FNFBQAPQMLPNQC-LURJTMIESA-N 198.182 -1.506 0 10 AAAE C/C=C\[C@H](O)C(=O)N[C@@H](C)C(N)=O 900038897 QGXXAGKEELUGIP-CREQNIJZSA-N 186.211 -1.087 0 10 AAAE C[C@@H]1CC(=O)NN1CCn1cnnn1 1654669689 UNLGRPRSPAETNQ-ZCFIWIBFSA-N 196.214 -1.202 0 10 AAAE C[C@@H](C(=O)N(C)CCO)n1cnnn1 1873797497 XDAFIOLMTNPMLI-LURJTMIESA-N 199.214 -1.315 0 10 AAAE NS(=O)(=O)CCN[C@@H]1CC[C@@H]1O 1878138033 HEMWRTLMWDVHDL-RITPCOANSA-N 194.256 -1.612 0 10 AAAE C[C@@H]1NCC[C@@H]1N1C[C@H](O)[C@H](O)C1 1878323684 ASOQVHRTARYCLN-XSPKLOCKSA-N 186.255 -1.226 0 10 AAAE NC(=O)[C@@H](N)CSC1CNC1 1880212686 KBHCEAKUZXLXCB-YFKPBYRVSA-N 175.257 -1.496 0 10 AAAE CC=CC(=O)N[C@H](CN)CO 1880286136 WZQFHCJUHIDTLF-ZCFIWIBFSA-N 158.201 -1.002 0 10 AAAE N=C(NN)N1[C@H]2COC[C@H]1C2 1880470465 RURJOKPCEXZLFO-RFZPGFLSSA-N 156.189 -1.142 0 10 AAAE NC[C@@H](O)C(=O)N[C@@H]1CC[C@H]1O 1880597212 FESDQPAPRYXYMW-HSUXUTPPSA-N 174.200 -2.055 0 10 AAAE NC(=O)CN1C[C@H]2C[C@@H](N)[C@H]1C2 1880609017 DPCSTFWZGRWDDL-RRKCRQDMSA-N 169.228 -1.107 0 10 AAAE CON(C)C1CN(S(=O)(=O)O)C1 1880759464 XEZVOHNYXFWBIZ-UHFFFAOYSA-N 196.228 -1.033 0 10 AAAE C[C@H](O)CN1C[C@H](O)C[C@@H]1CN 1880841313 YKYFRPJPWYZJLV-XLPZGREQSA-N 174.244 -1.239 0 10 AAAE NS(=O)(=O)N[C@@H]1COC2CC1C2 1880957484 WKHAEUOVMXQWLD-JMMWHDCWSA-N 192.240 -1.043 0 10 AAAE NC(=O)COCCn1cncn1 1880977992 ZUBZPCVSRDQDKE-UHFFFAOYSA-N 170.172 -1.220 0 10 AAAE CNC(=O)[C@@]1(O)CCNC[C@H]1O 1881413431 LOXRZPHBJIXVGW-IYSWYEEDSA-N 174.200 -2.182 0 10 AAAE CNC(=O)[C@@H](N)C1CS(=O)(=O)C1 1881413786 PLLVJPDWKOROJC-YFKPBYRVSA-N 192.240 -1.896 0 10 AAAE OC1CN(CCOC2CNC2)C1 1881525599 FHKBSFDSRSEPLH-UHFFFAOYSA-N 172.228 -1.349 0 10 AAAE COC(=O)O[C@@]1(C(N)=O)CCNC1 1881722476 WLYBFBJSGDDVIO-ZETCQYMHSA-N 188.183 -1.013 0 10 AAAE C[C@]1(O)CON(C(=O)[C@@H](O)CN)C1 1881767882 BSUZGFCLAZQUFN-CAHLUQPWSA-N 190.199 -2.169 0 10 AAAE NC[C@H](O)C(=O)NCc1ncno1 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145.158 -1.336 0 10 AAAE NC(=O)[C@H](N)[C@H](N)C(=O)O 104647138 NEDYHWJIEGCPIN-NCGGTJAESA-N 147.134 -2.789 0 10 AAAE N[C@@H]1[C@@H](CO)CN[C@H]1CO 105516965 GKRGFUWLYFZLKY-NGJCXOISSA-N 146.190 -2.114 0 10 AAAE CC[C@H]1C(=O)NC(=O)N(N)C1=O 105588690 RKHZEYMYZPDROU-VKHMYHEASA-N 171.156 -1.035 0 10 AAAE O=C1C[C@]2(C(=O)O)CNC(=O)[C@H]2N1 107130021 YHQQPRQHFMMBLZ-FBCQKBJTSA-N 184.151 -1.924 0 10 AAAE Cn1nnnc1NC1[C@@H]2CNC[C@@H]12 108990832 URRHWUBDHDMZAR-RFZPGFLSSA-N 180.215 -1.160 0 10 AAAE C[C@@H](COC(=O)CO)OC(=O)CO 115159076 GVVOWUQPXWALLN-YFKPBYRVSA-N 192.167 -1.554 0 10 AAAE NO[C@H]([C@H](O)C=O)[C@@H](O)[C@@H](O)CO 149844813 WIEKMHYDMUNKDG-BGPJRJDNSA-N 195.171 -3.481 0 10 AAAE NCCOCC(=O)Nc1nccnn1 165178679 AEZDAGHDSOGUKS-UHFFFAOYSA-N 197.198 -1.215 0 10 AAAE COC[C@H]1OC(=O)[C@@H](O)[C@@H]1OC 166226446 WAGSSFKPUUKLML-NGJCXOISSA-N 176.168 -1.066 0 10 AAAE CN1CC(=O)N[C@H](C(=O)O)C1=O 196331472 OKJZSBCYXGKLFR-BYPYZUCNSA-N 172.140 -1.972 0 10 AAAE N[C@@H]1C(=O)NC[C@H](O)[C@H]1O 196558327 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189.211 -1.508 0 10 AAAE CONCC(=O)N[C@@H](C)[C@H](O)CO 1954367843 LQDXCJWTFBRFPE-NTSWFWBYSA-N 192.215 -2.005 0 10 AAAE NCC[C@@H](N)CN1CC2(COC2)C1 1954414629 IZINVZIETFQDCF-MRVPVSSYSA-N 185.271 -1.005 0 10 AAAE NCCN(CCN)[C@H](CN)C(=O)O 1954650744 IVHKCKPFXDDXDC-ZCFIWIBFSA-N 190.247 -2.382 0 10 AAAE N[C@H]1C[C@H]1CN1C(=O)COCC1=O 1954695583 UBWLLCLJGWPCNJ-WDSKDSINSA-N 184.195 -1.281 0 10 AAAE O=C(CNO)N1CCN2CC[C@H]1C2 1954719044 GUDBWAWKIMNBKW-ZETCQYMHSA-N 185.227 -1.118 0 10 AAAE CCC(=O)NCCNC(=O)[C@@H]1C[C@@H]1N 1955093289 CKFYLGYGDCUJIU-RQJHMYQMSA-N 199.254 -1.024 0 10 AAAE O[C@@H]1CN(CC2CNC2)[C@H]2COC[C@@H]12 1955232467 DOQPWOCCCHEMNS-KXUCPTDWSA-N 198.266 -1.103 0 10 AAAE Cc1nc(=NCC[C@H](N)CO)[nH]n1C 1955340631 UDLSBEGBRBWBTH-ZETCQYMHSA-N 199.258 -1.333 0 10 AAAE CCCn1[nH]cnc1=NC[C@@H](N)CO 1955821535 YLHXMUYMIAPWNQ-SSDOTTSWSA-N 199.258 -1.159 0 10 AAAE O[C@@H]1CNC[C@@H]1N1CC[C@H]2C[C@]2(O)C1 1956821828 NEDPPQYOCNOZNH-QEYWKRMJSA-N 198.266 -1.224 0 10 AAAE C[C@H](NC(=O)c1nn[nH]c1N)C(N)=O 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