id int64 | RHEA_ID int64 | DIRECTION string | MASTER_ID int64 | UniprotID string | SMILES string | EC number string | CANO_RXN_SMILES string | sequence string | Label int64 |
|---|---|---|---|---|---|---|---|---|---|
15,399 | 81,379 | UN | 81,379 | Q1LUI2 | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])O[C@H]1C[C@H](*)O[C@@H]1CO.[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)([O-])[O-])[C@@H](CO)O1.[H+] | null | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O[C@H]1C[C@H](*)O[C@@H]1CO.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.*[C@H]1C[C@H](OP(=O)(O)O)[C@@H](CO)O1 | MDNMLQFMKLVGQLKRVPRTGWVYRNIKQPESVSDHMYRMSMMALTIQDISVNKERCMKLALVHDLAECIVGDIAPADNVSKAEKHRREKDAMVHITGLLDDGLRKEIYNLWEEYETQSSPEAKLVKELDNLEMIIQAHEYEELEGKPGRLQEFFVSTEGKFHHPEVLGLLKSLNEERARHIAAGGEKTTDTDSLTLAKP | 0 |
15,400 | 49,412 | UN | 49,412 | Q10979 | C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O.CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O... | 2.4.1.341 | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O.Nc1nc... | MWPPSRRQLCLAFLLVCALSAFSFLLHLHQDLFRNGLALSLPCLERQPVPAPVAIVCLPVTSPASNASSCAGRPAAPSGIWTIHPDGRFGNQMGQYATLLALAQLNGRRAFILPAMHAALAPVFRITLPVLAPEVNRRTSWKQLLLHDWMSEEYSRLEDPFLKFTGFPCSWTFFHHVREQIRREFTLHDHLREEAQRLLGKLRLGRTGARPRTFVGVHVRRGDYLQVMPQRWKGVVGDRAYLQQAMDWFRARHEAPIFVVTSNGMKWCWENIDASRGDVVFAGNGLESSPAKDFALLTQCNHTVMTIGTFGFWAAYLAGG... | 0 |
15,401 | 80,979 | UN | 80,979 | Q4WBI4 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1 | MVSIPATSLYGLGRQQPFQDLSKSLLTHLNLFTPQEAQSQAVPGTRTETEPTGSSPSDLQEQRKLADDKIIWAPLDYLCSFPGKDIRGKLISAFNQWLQIPEDKLDVIKRVVGLLHSASLLIDDIQDSSKLRRGFPVAHSIFGIAQTINSANFAYFWAQQELKKLGKPEAMVIFTEEMLRLHRGQGLDLYWRDSLTCPTEEEYLEMVANKTGGLFRLAIKLMQMESHNTEDCVPLVDLLGIIFQIRDDYQNLQSDLYAKNKGFGEDITEGKFSYPIIHSIRSDPSNFQLMNILKQKTEDEDVKRYAVRIIESTGSFDHCR... | 0 |
15,402 | 69,272 | UN | 69,272 | C1D890 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCN=C=S.O=S(=O)([O-])[O-] | null | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCN=C=S.O=S(=O)(O)O | MTHQSDLIAEDIHAYLARHETKDLLRFITCGSVDDGKSTLIGRLLHDSRLIFEDQLAAIERDSQKHNTTDEAVDLALLVDGLQAEREQGITIDVAYRYFSTDTRKFIIADCPGHEQYTRNMATGASTADLAIILIDARYGVQTQTRRHSFIASLLGIRHVIVAVNKMDLLEFDQAVFERIRQDYLTFAKALDIHDIRFVPLSALRGDNVVSPSERMPWYDGPSLMQLLDSIRLDADQALQAFRLPVQYVNRPNLDFRGFCGTIAAGVIRPGDQVTVLPSGRQSRVRAIVTTDGELPVAATGQAVTLTLEDEIDISRGDMI... | 0 |
15,403 | 80,211 | UN | 80,211 | Q1RLY6 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.[H]*[H].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.*.[H]O[H] | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O=O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O.O | METAFSHPPQSSSSKRKVIAVVGGGLVGSLNACFLAKRGFDVEVYESREDIRQAKVVKGRSINLALSHRGRQALKHVGMEDKIISKGIPMHARMIHNVNGKRSPIPYGKKGQYILSVDRANLNKELLTAAEAYPNTRLNFNHKLHDWSPKTGTMTFIGSDGQKTETQADLIVGCDGAFSAVRKQFLRQSRFNYSQTYIPHGYMELTMPPKDGDFAMEPNYLHIWPRNTFMMIALPNLDRTFTCTLFMPFEDFEKIRTGDELLRFFHKYFPDSVPLIGVEALKQDFFRLPAQAMVSVKCCPYHLFEKCVLMGDAAHAVVPF... | 0 |
15,404 | 77,651 | UN | 77,651 | Q9ZDY3 | C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H+]>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2CCCCC/C=C/C)C(=O)OC3=O.O=C=O | null | C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O>>C/C=C/CCCCC[C@@H]1[C@@H](CCCCC/C=C/C)C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@@H]13.O=C=O | MEEYFNKTGYLFSGNAVFVEELYRQYLANPNSVDQTWQEFFADIKDNNVVLNKSTAKVISTNVTNKELLNNNLSSETLNNLKAKEMISAYRRNAHYLANLDPLGLEIRKTKNDLKLNIEAFGLDSSQLGENINIMDEFIGTWNCKLSELVTKLDKVYTSSIGVEFDQIENVEEKNWLYTKLETDITFTSEEKKSILNDLVEVECFEQFLHIKFPGAKRFSIEGGDASIVAMNKAIDLSMHQGVEEIVIGMAHRGRLNTLTKVVGKPYKEVIASFINGNIFPDGLNVSGDVKYHLGYSADRVRANQKIHLSLADNPSHLEA... | 0 |
15,405 | 81,087 | UN | 81,087 | Q43054 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>COC1=C2\OCO\C2=C/C(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP... | null | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MDLLLLEKTLLGSFVAVLVAILVSKLRGKRFKLPPGPLPVPVFGNWLQVGDDLNHRNLTDLAKKFGDIFLLRMGQRNLVVVSSPDLSKEVLHTQGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVQQYRYGWEEEAAQVVEDVKKNPEAATNGIVLRRRLQLMMYNNMYRIMFDRRFESEDDPLFNKLKALNGERSRLAQSFDYNYGDFIPILRPFLRGYLKICQEVKERRLQLFKDYFVDERKKLASTKNMSNEGLKCAIDHILDAQKKGEINEDNVLYIVENINVAAIETTLWSIEWGIA... | 0 |
15,406 | 66,952 | UN | 66,952 | A8G840 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)C(=O)NC1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C... | 2.4.1.377 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C... | MTTLIHVLGSDIPHHNQTVLRFFNDVLAKRLPSDQTRHFMVAAKDAAALGPFPELNLECHPDKKSLAMAVIARAQADRDQRFFFHGQFNPTLWLALLSGKIKAHQVSWHIWGADLYENATSWKFRLFYLLRRIAQGRVGRVFATRGDVIHYQQRHARVPASLLYFPTRMDPALTGISVEKNLAGPMTILVGNSGDRTNRHVEALKAIHQQFGADVRVILPMGYPANNEAYIEQVRTAGLALFSASNLQVLTQQVAFDDYLNILRECDLGYFIFNRQQGIGTLCLLIQFGVPFVLSRQNPFWQDLAEQHLPVLFYGDSLDE... | 0 |
15,407 | 69,611 | UN | 69,611 | Q8P519 | OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.[H]O[H]>>OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | 3.2.1.216 | O.OC[C@H]1O[C@H](O[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O | MPHAPARSGDAMSAAAPPCCTSLLGLSLSMFVAPCALAATPLEGAVVSAPAPTPPTPDLAYPELFQAVQRGELFDDQKHFVDFLPLRDPALINADYLAQHEHAGFDLRKFVDANFEESPPVQTDAIRQDTALREHIDALWPKLVRSQTNVPAHSSLLALPHPYVVPGGRFREVYYWDSYFTMLGLVKSGETTLSRQMLDNFAYLIDTYGHIPNGNRTYYLSRSQPPLFSYMVELQAGVEGEAVYQRYLPQLQKEYAYWMQGGDDLQPGQAARHVVRLADGSVLNRYWDERDTPRPEAWLHDTRTAAEAHDRPAADVYRDL... | 0 |
15,408 | 12,885 | UN | 12,885 | Q9RFR0 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)C3... | 2.4.1.110 | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)c3c(=O)[nH... | MSLVVFPFKHEHPEVLLHNVRVAAAHPRVHEVLCIGYERDQTYEAVERAAPEISRATGTPVSVRLQERLGTLRPGKGDGMNTALRYFLEETQWERIHFYDADITSFGPDWITKAEEAADFGYGLVRHYFPRASTDAMITWMITRTGFALLWPHTELSWIEQPLGGELLMRREVAAMLYEDERVRRRSDWGIDTLYTFVTVQQGVSIYECYIPEGKAHRLYGGLDDLRTMLVECFAAIQSLQHEVVGQPAIHRQEHPHRVPVHIAERVGYDVEATLHRLMQHWTPRQVELLELFTTPVREGLRTCQRRPAFNFMDEMAWAA... | 0 |
15,409 | 80,087 | UN | 80,087 | Q827H4 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[NH3+]CCS(=O)(=O)[O-].[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[S... | null | NCCS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4... | MSPTYDVIVIGLGGMGSAAAHHLSARGARVLGLEKFGPVHNRGSSHGGSRITRQSYFEDPAYVPLLLRSYELYEEVERSTGREVATLSGGVMVGRPDSLTVAGSLRSATQWDLPHEMLDAKEIRRRFPTLNPSNDEVALYEKKAGLVRPENMVAAHLQLATRQGAELHFEEPMTRWEPYRDGVRVHTAENTYTAGQLVICPGAWAPQLLTDLGVPFTIERQVMYWFQPRHGVGPFRPENHPIYIWEDAEGVQVYGFPSIDGPDLGAKVAFFRKGVVCTPETIDRTVHDHEVQAMADHMSRCIPDLPGTFLKAATCMYSNT... | 0 |
15,410 | 78,491 | UN | 78,491 | O51940 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MQRETVFDLIGVGFGPSNLALAVRLAERSGAHTLAHCFVERQPAFGWHRGMLLDDCRMQISFLKDLVTMRDPKSRYTFINYLFERGRLNEFVNLKNFYPTRVEFHDYLSWVADAFDDRVHYSETVLGIEPVRGDGARIDALRVLSRDAAGHERQRVTRALSVGVGGTPAIPDAFAALGRDRVIHSSSYLTDIDRLVASPDGERRRVAVIGAGQSAAEVFIDLARRFPHVDANLVMRAGALKPADDSPFVNEIFSPEFTDVVYAQPQDARRALLERYRDTNYAVVDRPLIEQIYEMLYLQRIDGTPRHALLANSAIEAAVR... | 0 |
15,411 | 78,503 | UN | 78,503 | Q0ZQ39 | CC(=O)N(O)CCCP(=O)([O-])O.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)([O-])O.O=C([O-])CCC(=O)[O-].O=C=O | null | CC(=O)N(O)CCCP(=O)(O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)(O)O.O=C(O)CCC(=O)O.O=C=O | MVEILKKPVTGRSVWQRAQVEDASQWTYVLDEGMRAEILEAAERINEQGLTVWDLDRKAVPLERAGKLVAQCVEQLEHGFGLAMLRGVPTEGLTVAESQVVMGVVGLHLGTAVAQNGHGDRVVSIRDYGKGRLNSKTIRGYQTNESLPWHSDAPDIAALLCLTQAKHGGEFHVASAMHIYNTLLQEAPELLGLYYAGVFFDYRGEEPPGEPPAYRNAIFGYHNGQLSCRYFLRNFADSGTAKLGFEQPEVEKLALDTFEEIASRPENHVSMRLEPGDMQLVDDNVTVHRRGAYSDEEDGSTDSSRHLLRLWINVENGRQF... | 1 |
15,412 | 80,307 | UN | 80,307 | A8C981 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C.*>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)CC[C@]21C.[H]*[H] | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C | MGVWRLKIGEGANNPYLTSTNNFVGRQTWVFEPDGGTPEERDQVEEARQNYFKNRFRVRPCSDLLWQMQFLREKNFRQKIPQVKVRDGEEINYETVTNAIRRSAHYLSATQSSDGFWPADASAPVFYLAPWVIGLYVIGHLNTVFPAEHQKEILRYIYCHQNEDGGWGLHYEDGGTMFGTAFNYVCMRILGEGPGGGRDNACERARKGILDHGGVTYIPSGGKTWLAMLGVFDWSGCNPMPPEFWMLPPFFPMHPAQMWCYCRIVYMPMSYLYGRRFVGPITPLVQQLREELHTQPFHEIEWSKARHLCAKEDLFHRRPW... | 0 |
15,413 | 78,091 | UN | 78,091 | E2RTZ4 | C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-] | null | C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-] | MTLSEDTLRAVEATAGLIAAQGIEFTRAFYERMLTKNEELKNIFNLAHQRTLRQPKALLDSLVAYALNIRRINELYELKGKGLPVPPEHWAELQGFFSAAERVANKHTSFGIQPAQYQIVGAHLLATIEDRITKDKDILAEWAKAYQFLADLFIKREEEIYAATEGCKGGWRQTRTFRVEEKTRVNEIICKFRLVPAEEGAGVVEHRPGQYLAIFVRSPEHFQHQQIRQYSIISAPNSAYYEIAVHRDEKGTVSRYLHDYVSTGDLLEVAPPYGDFFLRYLEADEQAPADTQASQEFQMLQSGAINFAAEKTMPIVLISG... | 0 |
15,414 | 74,147 | UN | 74,147 | Q9H5J4 | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)[O-])C(=O)C1=CC=CC=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-]... | 2.3.1.310 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)C(=O)c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](... | MNMSVLTLQEYEFEKQFNENEAIQWMQENWKKSFLFSALYAAFIFGGRHLMNKRAKFELRKPLVLWSLTLAVFSIFGALRTGAYMVYILMTKGLKQSVCDQGFYNGPVSKFWAYAFVLSKAPELGDTIFIILRKQKLIFLHWYHHITVLLYSWYSYKDMVAGGGWFMTMNYGVHAVMYSYYALRAAGFRVSRKFAMFITLSQITQMLMGCVVNYLVFCWMQHDQCHSHFQNIFWSSLMYLSYLVLFCHFFFEAYIGKMRKTTKAE | 0 |
15,415 | 80,208 | LR | 80,207 | A0A397HSG2 | NC(=[NH2+])NCCC[C@@H]1NC(=O)C(CC2=CC=C(O)C=C2)NC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+] | null | Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.N=C(N)NCCC[C@@H]1NC(=O)C(Cc2ccc(O)cc2)NC1=O.O=O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O.O | MAQFNSTWAISGRRSAISVDTFHALSIQAPGLLLGTLLFYLFYKYTTRIYFHPLSGIPGPRLAAATHLYEAYYNILRQGLSKRAVQLHKAYNSPVIRLGTNRVHVGDPSYYHTIYNSGTDYHKDPGVYKLLGIDGSILTITDPEEHKQYRSIVGSLFSRKTADDLAPMMAALLNRSTESMARQGREGKPSVIQRIYRSVAADMVSYLLFNRPLGLIDSPQEADHYHSFMLSIDRFTAITWPRFYYPILNWVIDSFPAFVVERLQPGLRNLQELFKGWLDESIAAHDAGKPVESRSTYFDLMIEAKRKTGEPLRPDQLFDD... | 1 |
15,416 | 29,776 | LR | 29,775 | F8D4I6 | O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | 2.7.1.239 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O | MVRVLSAGHVNWDVTLRVDRLPEADGEASIRSQRQSGGGSAANVAAALAGLEVDAGLIGSVGDDDNGVLARRDLESAGVDLEGVRIVEAGQTAVKYLLVDDDGEVAVLGNDGVNEAVGPEEIDERRIRNADHVHLTSQRPDTAAAIARTANEAGVTVSFDPGRRLGDRDYGEALAAADVLFANDRELAALLEDEYEYVGSDFDDRIVAVKHGSDGAEVHTPTGSYVHPGFDVDAVDTAGAGDAFAAGFIATWLTDGDVERALEYANACGALTAGREGARSAPTADAVAAFLSERFD | 1 |
15,417 | 59,232 | UN | 59,232 | P9WEV2 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-].[H]O[H]>>[H][C@]12CC[C@@H](C)[C@]3([H])CC[C@]4(C)CCC[C@](C)(C[C@]1(C)O)[C@@]4([H])[C@]23[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.202 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.O>>C[C@@H]1CC[C@@H]2[C@@H]3[C@H]1CC[C@]1(C)CCC[C@](C)(C[C@]2(C)O)[C@@H]31.O=P(O)(O)OP(=O)(O)O | MDTISDVMKHCVPINYDDYDPLPADHFSTYPVFCSKATAEAIEASAEFTRKWKRACEVDGLHQDKLSFQACTTHLGHYNQWAYPDCVPERVSLNAVLSDCAFFWDGMSPVTGRSANVMITSPVDVSDSISAEKMNELTQDFGIAMLSELQSGRRIEPKFEINKMAVQVIRDFIAVDPFTGIGHLKEWKGHLDAQKKSTHNNMSWEKYVEHRVNESGGNWGISVGCWTNDIRISDEEKESVKYLTQLACAGGILGNDYYSFPKEFDEHHRSGTLDRIQNGVALLMREYGYTEEEAKEIIKKEVIIREKKWMDGFNAWSRQA... | 0 |
15,418 | 76,107 | UN | 76,107 | Q9C971 | COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C([O-])CCC(=O)[O-].O=C=O | null | COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C(O)CCC(=O)C(=O)O.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C(O)CCC(=O)O.O=C=O | MPSLAEEICIGNLGSLQTLPESFTWKLTAADSLLRPSSAVSFDAVEESIPVIDLSNPDVTTLIGDASKTWGAFQIANHGISQKLLDDIESLSKTLFDMPSERKLEAASSDKGVSGYGEPRISPFFEKKMWSEGFTIADDSYRNHFNTLWPHDHTKYCGIIQEYVDEMEKLASRLLYCILGSLGVTVEDIEWAHKLEKSGSKVGRGAIRLNHYPVCPEPERAMGLAAHTDSTILTILHQSNTGGLQVFREESGWVTVEPAPGVLVVNIGDLFHILSNGKIPSVVHRAKVNHTRSRISIAYLWGGPAGDVQIAPISKLTGPA... | 0 |
15,420 | 76,683 | UN | 76,683 | A7I2F2 | O=C([O-])CS(=O)(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H... | null | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CS(=O)(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)... | MNIHEYQAKELCREFGINVSNGALALSADEAVEVAKKLGGNVWAVKAQIHAGGRGLGGGVKIAKNLDEVKKYANQILGMTLVTKQTGPKGKLVRKIYIEQGCNIKKEFYVSLTFNRAKEQIGLIASASGGMGIEEVDKNLIKTLNIDPQIGLKAFHAYEVGDFLGFDKDLNNKFYKFLNGLYKLYIATDANLVEINPMVLTAEDEFFALDAKMGFDDAALFRHENIAAMRDLDEEESSEVEAKQYGLSYVKLDGDIGCMVNGAGLAMGTMDTITYCGGKSANFLDVGGGASAETVAKAFEIILRDKNVKSIFVNIFGGIV... | 0 |
15,421 | 56,476 | UN | 56,476 | Q57160 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(Br)N1)C(*)=O.[Br-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)C(*)... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=... | MKPEDFRASTQRPFTGEEYLKSLQDGREIYIYGERVKDVTTHPAFRNAAASVAQLYDALHKPEMQDSLCWNTDTGSGGYTHKFFRVAKSADDLRHERDAIAEWSRLSYGWMGRTPDYKAAFGCALGGTPGFYGQFEQNARNWYTRIQETGLYFNHAIVNPPIDRHLPTDKVKDVYIKLEKETDAGIIVSGAKVVATNSALTHYNMIGFGSAQVMGENPDFALMFVAPMDADGVKLISRASYEMVAGATGSPYDYPLSSRFDENDAILVMDNVLIPWENVLLYRDFDRCRRWTMEGGFARMYPLQACVRLAVKLDFITALL... | 0 |
15,422 | 46,568 | UN | 46,568 | E3PZS2 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MELHLALRASPLPAADPGRRPPPPRGNFATNCTAAINSTHISQEKFRSLDSWVEHNMLTFLKPVEKCWQPQDFLPDPSHLSAEELGDAVREIHERAAEIPDEVWVCMVGNMVTEEALPTYQSLISSVLGGTVAGSTPWDRWIRGWSAEENRHGDLLNKYLYLTGRLDMRQVEKTIQYLIGSGMDVGVGNSILCGFIYTCFQEKATFISHGNTARLAKHHGDTTLAKICGLVAADEKRHAVAYTNLMKKLFEVAPNESMLAFAHIMRAHVTMPASRMFDGRDPRLFTHFSAVTQKIGVYTVRDYGEMLDFFLKEWEISAVV... | 0 |
15,423 | 74,167 | UN | 74,167 | O33820 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.C[NH+](C)CC(=O)[O-].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.C[NH2+]CC(=O)[O-].[H]C([H])=O.[H+].[H+] | 1.5.7.3 | CN(C)CC(=O)O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>C=O.CNCC(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MNILTDFRTHRPATLADAVNALAAEATLPLGAGTDLLPNLRRGLGHPAALVDLTGIDGLATISTLADGSLRIGAGATLEAIAEHDAIRTTWPALAQAAESVAGPTHRAAATLGGNLCQDTRCTFYNQSEWWRSGNGYCLKYKGDKCHVIVKSDRCYATYHGDVAPALMVLDARAEIVGPAGKRTVPVAQLFRESGAEHLTLEKGELLAAIEVPPTGAWSAAYSKVRIRDAVDFPLAGVAAALQRDGDRIAGLRVAITGSNSAPLMVPVDALLGGNWDDAAAETLAQLVRKTSNVLRTTITGVKYRRRVLLAISRKVVDQL... | 0 |
15,424 | 76,083 | UN | 76,083 | P33616 | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+] | null | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MLFRISMSATEFLLASLIFCLVFWVIRASRPRVPKGLKNPPGPWGWPLIGHILTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVQQGDDFKGRPNLYSFTLISNGQSMSFGPDSGPVWAARRRLAQNGLKSFSIASDPASSSSCYLEEHVSKEAEVLISKLQEQMAGPGHFNPYRYVVISVANVICAICFGQRYDHNHQELLSLVNLSNNFGEVVGSGNPADFIPILRYLPNRSLNGFKDLNEKFHSFMQKMIKEHYKTFEKGYIRDITDSLIEHCQEKQLDENANIQLSDEKIVNVVLDLFGAGFD... | 0 |
15,425 | 81,407 | UN | 81,407 | P0AEI1 | NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1C=O.C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.CSCC[C@H]([NH3+])C(=O)[O-].[H+] | 5.3.99.13 | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>CSCC[C@H](N)C(=O)O.C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1C=O | MTKKLHIKTWGCQMNEYDSSKMADLLDATHGYQLTDVAEEADVLLLNTCSIREKAQEKVFHQLGRWKLLKEKNPDLIIGVGGCVASQEGEHIRQRAHYVDIIFGPQTLHRLPEMINSVRGDRSPVVDISFPEIEKFDRLPEPRAEGPTAFVSIMEGCNKYCTYCVVPYTRGEEVSRPSDDILFEIAQLAAQGVREVNLLGQNVNAWRGENYDGTTGSFADLLRLVAAIDGIDRIRFTTSHPIEFTDDIIEVYRDTPELVSFLHLPVQSGSDRILNLMGRTHTALEYKAIIRKLRAARPDIQISSDFIVGFPGETTEDFEK... | 0 |
15,426 | 46,784 | UN | 46,784 | E3PZS3 | *OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.36 | *OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MELHLALRASPLPAADPGRRPPPPRGNFATNCTAAINSTHISQEKFRSLDSWVEHNMLTFLKPVEKCWQPQDFLPDPSHLSAEELGDAVREIHERAAEIPDEVWVCMVGNMVTEEALPTYQSLISSVLGGTVAGSTPWDRWIRGWSAEENRHGDLLNKYLYLTGRLDMRQVEKTIQYLIGSGMDVGVGNSILCGFIYTCFQEKATFIPHGNTARLAKHHGDTTLAKICGLVAADEKRHAAAYTNLMRKLFEVDPNESMLAFAHVMQARVTMPASRMFDGRDPHLFTHFSDVSQKIGVYTVGDYSEMLDFFLKEWDISAIV... | 0 |
15,427 | 58,824 | UN | 58,824 | Q2KIL4 | COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>[H][C@]1(C2=C(C)C(=O)C(C)=C(OC)O2)C/C(=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)CO1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H].[H]O[H] | 1.14.15.37 | COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MAAQLARVRWGTVFAAAQKGPRVSCRRWAGASADNVYDVVVSGGGLVGAAMACALGHDIHFCDKKILLLEAGPKKVLEKLPETYSNRVSSISPGSATLLSSFGAWDHICNMRCRAFRRMQVWDACSEALIMFDKDNLDDMGYIVENDVIMHALTKQLEAVSDQVTVLYKSKAVSYTWPYPFSMADSSPWVHITLGDGRTLQTKLLIGADGHNSGVRQAAGIRNVSWNYDQSAVVATLHLSEATENNVAWQRFLPSGPIALLPLSDTLSSLVWSTSHEHAAELVSMEEEEFVDAINSAFWSDVNHTDFIDSAGSMLQSAVA... | 0 |
15,428 | 70,807 | UN | 70,807 | B1IH09 | O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-] | 5.3.1.37 | O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O | MNIDIVISADHIDEKRLINKTVIIIDILRATSVITTAINNGCKKVIPVLTVEEAKDIAKNSKEDIILGGERNALKIDGFNFSNSPLEYTKNYVEGKTVVLSTTNGTRAINNSFNAKTILISALINSKATAKAIDKLNEDLIIINSGTNGQFSIDDFICSGYLIDCLYNIRKDLELSDIAKTAHYIYMNNKDIESFVKKATHYSRLKSLNLEKDLEYCFQKDIIDVVPQYKDGYIIKSNI | 0 |
15,429 | 79,299 | UN | 79,299 | Q5R668 | [NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.O=P(O)(O)OP(=O)(O)O | MNNHVSSKPSTMKLKHTINPILLYFIHFLISLYTILTYIPFYFFSESRQEKSNRIKAKPVNSKPDSAYRSVNSLDGLASVLYPGCDTLDKVFTYAKNKFKNKRLLGTREVLNEEDEVQPNGKIFKKVILGQYNWLSYEDVFVRAFNFGNGLQMLGQKPKTNIAIFCETRAEWMIAAQACFMYNFQLVTLYATLGGPAIVHALNETEVTNIITSKELLQTKLKDIVSLVPRLRHIITVDGKPPTWSEFPKGIIVHTMAAVEALGAKASMENQPHSKPLPSDIAVIMYTSGSTGLPKGVMISHSNIIAGITGMAERIPELGE... | 0 |
15,430 | 78,719 | UN | 78,719 | P62602 | O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O.[H]O[H]>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | 3.2.1.218 | O.O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSSEYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG... | 0 |
15,431 | 78,815 | UN | 78,815 | P12015 | [NH3+]CCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>[NH3+]CCCCNO.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1... | 1.14.13.252 | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCN.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCCNO.O | MSQKMDFDAIVIGGGFGGLYAVKKLRDELELKVQAFDKATDVAGTWYWNRYPGALTDTETHLYCYSWDKELLQSLEIKKKYVQGPDVRKYLQQVAEKHDLKKSYQFNTAVQSAHYNEADALWEVTTEYGDKYTARFLITALGLLSAPNLPNIKGINQFKGELHHTSRWPDDVSFEGKRVGVIGTGSTGVQVITAVAPLAKHLTVFQRSAQYSVPIGNDPLSEEDVKKIKDNYDKSLGWCMNSALAFALNESTVPAMSVSAEERKAVFEKAWQTGGGFRFMFETFGDIATNMEANIEAQNFIKGKIAEIVKDPAIAQKLMP... | 0 |
15,432 | 78,787 | UN | 78,787 | Q40286 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O... | null | O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | CNKLKLDKAERGDKASVDNTELLKWLDLWEPGSVIYACLGSISGLTSWQLAELGLGLESTNQPFIWVIREGEKSEGLEKWILEEGYEERKRKREDFWIRGWSPQVLILSHPAIGAFFTHCGWNSTLEGISAGVPIVACPLFAEQFYNEKLVVEVLGIGVSVGVEAAVTWGLEDKCGAVMKKEQVKKAIEIVMDKGKEGEERRRRAREIGEMAKRTIEEGGSSYLDMEMLIQYVSERSPSRA | 0 |
15,433 | 49,508 | UN | 49,508 | Q59734 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H] | null | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O | NTEFAELKIRDKIFKLPILKASIGQDVIDISKVYSEADCFTYDPGFMSTASCRSTITYIDGDQGILRHRGYDIKDLAEKSDFLEVAYLLIYGELPNNKQYNDFTKKVAHHALVNERLHYLFQTFCSSSHPMAIMLAAVGSLSAFYPDLLNFFKEADYELTAIRMIAKIPTIAAMSYKYSIGQPFVYPDNSLDFTENFLHMMFATPCEKYKVNPVIKNALNKIFILHADHEQNASTSTVRIAGSSGANPFACVSTGIASLWGPAHGGANEAVINMLKEIGSVENIPKYIAKAKDKNDNFRLMGFGHRVYKNYDPRAAVLKE... | 0 |
15,434 | 56,372 | UN | 56,372 | Q0CRI5 | O=C([O-])C1=CC(O)=C(O)C=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+]>>O=C([O-])C1=CC(Br)=C(O)C(O)=C1.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc(O)c(O)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C(O)c1cc(O)c(O)c(Br)c1 | MAQSTKQKVVIVGAGPVGSLAALYAAARGDEVEVYELRGDLRDPSTIPLNFTKSINLALSERGINAMRHSNREEMIHKVLEEAIPMHGRMIHGRDDGKLWEAAQAYDVHGRYINAADRSTLNNALLDELERTPNVNLFFNHKLTGADFRANKAWFERRIPGESTSDRVEIQVNFDYLIGADGAHSASRYHMMKYARVDYQQEYIDTLWCEFRIPPTDDGDFRISPNHLHIWPGKEFMFIALPSADKSFTCTLFAPAGHYARLKSSPQNLLESFDTHFPGVCPELITPKDLQEQFETNPHLPLISIKCKPHHFDSSVVIVG... | 0 |
15,435 | 78,503 | UN | 78,503 | A5W454 | CC(=O)N(O)CCCP(=O)([O-])O.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)([O-])O.O=C([O-])CCC(=O)[O-].O=C=O | null | CC(=O)N(O)CCCP(=O)(O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)(O)O.O=C(O)CCC(=O)O.O=C=O | MNAFTQIDELVMPLPLEPQGYTIAPSKQSPRLLELTFARETVEAFVQAVAQWPVQALEYKSFLRFRIGEILDELCQGTLRPVLLNTILDRATGGMLITPIGLDDVSQAEDMVKFTTACAHLIGRSNYDAMSGQFYARFVVVNSDNSDSYLRQPHRVMELHNDGTFVNQITDYVLMLKIDEKNMEGGNSLLLHLDDWEQCEAFFRHPMARREMRWTAPPSKKVAEDVFHSVFDTDTEGRPTMRYIDQFVQPENYEEGIWLNALSESLEGSSKKVSVPVGVGSFLLINNLFWLHGRDRFTPHEGLRRELMRQRGYVAFPKPL... | 0 |
15,436 | 79,179 | UN | 79,179 | P0AGG2 | O=C([O-])C1CCCCC1.CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)[O-] | 2.3.1.315 | CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)O | MSQALKNLLTLLNLEKIEEGLFRGQSEDLGLRQVFGGQVVGQALYAAKETVPEERLVHSFHSYFLRPGDSKKPIIYDVETLRDGNSFSARRVAAIQNGKPIFYMTASFQAPEAGFEHQKTMPSAPAPDGLPSETQIAQSLAHLLPPVLKDKFICDRPLEVRPVEFHNPLKGHVAEPHRQVWIRANGSVPDDLRVHQYLLGYASDLNFLPVALQPHGIGFLEPGIQIATIDHSMWFHRPFNLNEWLLYSVESTSASSARGFVRGEFYTQDGVLVASTVQEGVMRNHN | 0 |
15,437 | 75,907 | UN | 75,907 | Q9LSS0 | [H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | null | *N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | MIRGLLLGIIWMIFCVCSSFQQETPFVYNNFGHVDHLHLDGSARIIPSGGILQLTNATNSQIGHVFYEKPIEFKSSESVSFSTYFVCALLPAGDPSGHGMTFFVSHSTDFKGAEATRYFGIFNRNGSTSTRVLAVELDTSLASDVKDISDNHVGIDVNSAESITSANASYFSDKEGKKIDIKLLSGDPIQVWVDYEGTTLNVSLAPLRNKKPSRPLLSSTSINLTDILQGRRMFVGFSGSTGSSMSYQYILGWSFSKSMASLPNIDISKLPKVPHSSTKKKSTSPVLSVLLGLIAFIVLGILVVAYLYRRNLYSEVREEW... | 0 |
15,438 | 56,376 | UN | 56,376 | A2QGH7 | O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O | MAPSQQEKYDIVIVGAGPVGIVLSLCMSRWGYKVKHIDNRPVPTATGRADGIQPRSTEILRNLGLKRQIMAFKPAKVYDVAFWDPLPGGQGIHRTGSWPSCPRFIDTRYPFTTLVHQGKIERVFLDEIQKAGTTVERPWTIVGFKNDGLDETYPVEVQLKSIDTNVIETVRTKYLFSGEGARSFIRQQLGIQIQYKDPISYVWGVMDGVVRTNFPDIETKCTIHSDAGSIMVIPREDNMVRLYVQIASSDDPDFDPRKTATAEDVQATARKILQPYWVEWDRVEWYSVYPIGQGISEKYTLDERVFMGGDACHTHSPKAG... | 0 |
15,439 | 80,955 | UN | 80,955 | Q325W1 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.[NH3+]CC(=O)[O-]>>CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O | MPSIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHLGLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPQPAQNIAPSAVIDATAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAGSRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRVIIGDRVEIGACTTIDRGALDDTVIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVYSSGIPLQPNKVWRKTAALV... | 0 |
15,440 | 78,487 | UN | 78,487 | A5TYT6 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.O=C=O | null | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C=O | MTSATIPGLDTAPTNHQGLLSWVEEVAELTQPDRVVFTDGSEEEFQRLCDQLVEAGTFIRLNPEKHKNSYLALSDPSDVARVESRTYICSAKEIDAGPTNNWMDPGEMRSIMKDLYRGCMRGRTMYVVPFCMGPLGAEDPKLGVEITDSEYVVVSMRTMTRMGKAALEKMGDDGFFVKALHSVGAPLEPGQKDVAWPCSETKYITHFPETREIWSYGSGYGGNALLGKKCYSLRIASAMAHDEGWLAEHMLILKLISPENKAYYFAAAFPSACGKTNLAMLQPTIPGWRAETLGDDIAWMRFGKDGRLYAVNPEFGFFGV... | 0 |
15,441 | 79,179 | UN | 79,179 | Q9BEA2 | O=C([O-])C1CCCCC1.CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)[O-] | 2.3.1.315 | CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.CCCC(=O)O | MQRLMKFRVLWGIHMSCPGFHHAPQHLRCRSLSGAGTLRWNDYDRPEEFNFASDVLDHWTQMEKEGKRSPNPALWWVNDQGDEVKWSFREMTDLTCRTANVLTQTCGLQTGDRLALILPRVPEWWLVCVGCIRTGIIFMPGTTQMKAKDILYRLQVSGAKAIVTTDTLAPEVESVAPECPSLKTKLLVSDHSREGWLDFRSLVKSASPDHICIKSKTLDPMAIFFTSGTTGFPKMAKHSHGFALRSYFPACRKLLQLKMSDVFWCLSDTGWILAALGSLLEPWTAGSTVFAHHLPQFDPKVIIETFFKYPITQCLAAPSV... | 0 |
15,442 | 65,824 | UN | 65,824 | P32062 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKLNPVTTFPSTRSLNNFSSRSPRTFLMAASTFSSTSTKEAEAKEVTWTTKRGAYASDPFHAPTGSWEIFKSLGRLGLRDVLISHLKPVEKCWQPQDFLPEPESDGFEEQVKELRARAKELPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPKTENNPYLGFIYTSFQERATFISHGNTARLAKDHGDMKLAQICGIIAADEKRHETAYTKIVEKLFEIDPDGTVLALADMMRKKISMPAHLMYDGEDDNLFDNYSSVAQ... | 0 |
15,443 | 78,231 | UN | 78,231 | Q9T079 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C3=C2N=C(N)... | null | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(=O)[nH]c(N)nc... | MARPRLLVVSMSLPVTAKRTGEESWSFTMSPGGLVSALLGLKEFETKWIGWPGVDVHDAIGKKTLSITLAEKGCIPVFLEEVCDQYYNGYCNNILWPIFHYLGTPPEYRNDATITYQSQYEAYKKANQIFFDVVKEHYEEGDVVWCHDYHVMLLPQYLKEYNSKMKVGWFLHTPFPSSEMYKTLPSRSDLLRSVLTADLVGFHTYDFARHFLNACMCILGVEATSEGIVDQGKVTRVAVFPIGIEPERFINTSELSEVVQYMKKFKNDFGGRKLILGVDRLDTIKGIPQKYQAFEKFLEENAEWRGKVMLLQIAVPTRNG... | 0 |
15,444 | 62,560 | UN | 62,560 | B5A434 | [H][C@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>[H][C@]1(C(=C)C)CC=C(CO)CC1.[H]*[H] | 1.17.99.8 | C=C(C)[C@H]1CC=C(C)CC1.O>>C=C(C)[C@H]1CC=C(CO)CC1 | MDAFATSPTSALIKAVNCIAHVTPMAGEDSSENRRASNYKPSTWDYEFLQSLATSHNTVQEKHMKMAEKLKEEVKSMIKGQMEPVAKLELINILQRLGLKYRFESEIKEELFSLYKDGTDAWWVDNLHATALRFRLLRENGIFVPQDVFETLKDKSGKFKSQLCKDVRGLLSLYEASYLGWEGEDLLDEAKKFSTTNLNNVKESISSNTLGRLVKHALNLPLHWSAARYEARWFIDEYEKEENVNPNLLKYAKLDFNIVQSIHQQELGNLARWWVETGLDKLSFVRNTLMQNFMWGCAMVFEPQYGKVRDAAVKQASLIA... | 0 |
15,445 | 76,491 | UN | 76,491 | B1ITA2 | COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.[H]O[H]>>[H]C(=O)C1=CC(OC)=C(O)C=C1.CC(=O)[O-] | 4.1.2.65 | COc1cc(/C=C/C(=O)O)ccc1O.O>>CC(=O)O.COc1cc(C=O)ccc1O | MQPNDITFFQRFQDDILAGRKTITIRDESESHFKTGDVLRVGRFEDDGYFCTIEVTATSTVTLDTLTEKHAEQENMTLTELKKVIADIYPGQTQFYVIEFKCL | 0 |
15,446 | 78,491 | UN | 78,491 | D4AU57 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=... | null | NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@... | MNGTSTTGNGFTNGTNYPVPKLELQPETTSTSPTRAQTHPLLPSVSDDELHDLICVGFGPASLAIAIALHDRLLETAHSPDITTVPKICFLEKQSNFAWHSGMLLPGSKMQISFIKDLATIRNPRSEFTFLNYLQVHDRLLDFANLGTFLPARIEFEDYMKWCASKFANLVRYRTEVLDVTPSEVDPVTGKVHFFTVRSKVLETGEVTTRKARHVVVAIGGKPNIPAEFPTNSRIIHSSAYCTTLPSLLNNTLKEYSIAVAGSGQSAAEIFHDLQKRYPNAKTSLIMRDSALRPSDDSPFPSVNELFNPERVDQFFNQSE... | 0 |
15,447 | 80,875 | UN | 80,875 | O65404 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MAFTNVCLWTLLAFMLTWTVFYVTNRGKKATQLADAVVEEREDGATDVIIVGAGVGGSALAYALAKDGRRVHVIERDLREPERIMGEFMQPGGRLMLSKLGLEDCLEGIDAQKATGMTVYKDGKEAVASFPVDNNNFPFDPSARSFHNGRFVQRLRQKASSLPNVRLEEGTVKSLIEEKGVIKGVTYKNSAGEETTALAPLTVVCDGCYSNLRRSLNDNNAEVLSYQVGFISKNCQLEEPEKLKLIMSKPSFTMLYQISSTDVRCVFEVLPNNIPSISNGEMATFVKNTIAPQVPLKLRKIFLKGIDEGEHIKAMPTKKM... | 0 |
15,448 | 80,875 | UN | 80,875 | E9R5G2 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MATTPINGHATKSPSLDAAEARRLKHNHADVVIIGAGVLGCALAVALGRQGRSVILLEASLKEPDRIVGELLQPGGVQALEKLGLRDCLEGIDSIPVKGYYVSYFNDPVPIPYPKPTPASPPPEGRCFHHGRFVMKLREAAMACPNVSVVETKATDLVTCSHTQQVLGVECTSKDNVRACYFGHLTVVADGYASKFRKQHHPHTPKVSSRFWGLELIDTKLPMPYYGHVLLSDNAPILLYQIGTHETRILVDIPENLPSASVKNGGVKSHMRNVVLPSLPESVQPAFIAALEQGQLRSMPNSFLPAATNTTPGLVILGDA... | 0 |
15,449 | 22,464 | UN | 22,464 | P92994 | [NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>O=C([O-])[C@H](CC1=CC=C(O)C=C1)NO.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+].[H+] | null | Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O=C(O)[C@H](Cc1ccc(O)cc1)NO | MDLLLLEKSLIAVFVAVILATVISKLRGKKLKLPPGPIPIPIFGNWLQVGDDLNHRNLVDYAKKFGDLFLLRMGQRNLVVVSSPDLTKEVLLTQGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVQQNREGWEFEAASVVEDVKKNPDSATKGIVLRKRLQLMMYNNMFRIMFDRRFESEDDPLFLRLKALNGERSRLAQSFEYNYGDFIPILRPFLRGYLKICQDVKDRRIALFKKYFVDERKQIASSKPTGSEGLKCAIDHILEAEQKGEINEDNVLYIVENINVAAIETTLWSIEWGIA... | 0 |
15,450 | 80,871 | UN | 80,871 | A0A125SXN2 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@]1(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MWRLRTGSSTVDKADSWLSSLNNHLGRQIWCYDPEAGTPQEREAVEAECARFTANRHQQRQSADTLLRLQFQKEHSANRLPSRITVNEDHEVTEDDVTTTLCRALQFYSQLQTDDGHWSGDHSGPMFFLPGMVIALYVTGALDSVLSEHHQREICRYIYNHQRQDGSWGLHPEGTGTLFGTVLSYVTLRLMGESKSNSNNREALRKAQTWIIDHGGATDVPSWGKFWLAVLGVYEWSGVNPLPPESWLLPKSLIAHPGRLPVLYRFIFLPMSYIYARRLSHHLTKIIEDLRKELYTIPYEDIDWNHARKLGAKEEIVPRS... | 0 |
15,451 | 80,875 | UN | 80,875 | P32476 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MSAVNVAPELINADNTITYDAIVIGAGVIGPCVATGLARKGKKVLIVERDWAMPDRIVGELMQPGGVRALRSLGMIQSINNIEAYPVTGYTVFFNGEQVDIPYPYKADIPKVEKLKDLVKDGNDKVLEDSTIHIKDYEDDERERGVAFVHGRFLNNLRNITAQEPNVTRVQGNCIEILKDEKNEVVGAKVDIDGRGKVEFKAHLTFICDGIFSRFRKELHPDHVPTVGSSFVGMSLFNAKNPAPMHGHVILGSDHMPILVYQISPEETRILCAYNSPKVPADIKSWMIKDVQPFIPKSLRPSFDEAVSQGKFRAMPNSYL... | 0 |
15,452 | 76,995 | UN | 76,995 | A4WR94 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H+]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]... | 1.18.1.2 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O... | MSPKDLTIPTGEDGEGSVQVHLDESDKITGAKVFAVYGKGGIGKSTTSSNLSAAFSILGKRVLQIGCDPKHDSTFTLTGSLVPTVIDVLKDVDFHPEELRPEDFVFEGFNGVMCVEAGGPPAGTGCGGYVVGQTVKLLKQHHLLDDTDVVIFDVLGDVVCGGFAAPLQHADQAVVVTANDFDSIYAMNRIIAAVQAKSKNYKVRLAGCVANRSRATDEVDRFCEASDFRRLAHMPDLDAIRRSRLKKKTLFAMDEDPDVLVARAEYLRLAQSLWDGLPPMSPHSLPDREIFELLGFD | 0 |
15,453 | 65,824 | UN | 65,824 | P29108 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKLNPLASQPYNFPSSARPPISTFRSPKFLCLASSSPALSSKEVESLKKPFTPPKEVHVQVLHSMPPQKIEIFKSMEDWAEQNLLTQLKDVEKSWQPQDFLPDPASDGFEDQVRELRERARELPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARQAKEHGDLKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVMAFADMMRKKISMPAHLMYDGRDESLFDNFSSV... | 0 |
15,454 | 64,168 | UN | 64,168 | Q46336 | CC[C@]([NH3+])(CO)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].[H]C([H])=O | null | CC[C@](N)(CO)C(=O)O>>C=O.CC[C@H](N)C(=O)O | MMLIECPNCGPRNETEFSYGGQAHVAYPEDPNALSDKEWSRYLFYRENSKGIFAERWVHSGGCRKWFNALRDTATYEFKAVYRAGEPRPELNTQGGSR | 0 |
15,455 | 78,499 | UN | 78,499 | A9MI48 | CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>CC(=O)N(O)CCCP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+] | null | CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 | MKKTGYFLLAVIVIVAAAGVGYWKFSGNPDALREIVLEQCLPDQLQHQNPAPCAEVKPRAGYVVFKDRHGPLQYLLMPTYRINGTESPLLLEPATPNFFWLAWQARDYMSKKYGHDIPDSAVSLTVNSRLGRSQDHLHIHISCIRPDVREQLDNDLTRISTRWLPLPGGLMGHEYLARRVTESELAQRSPFMMLAEEVPEARDHMGRYGLAVVRQSDGSFVLLATQRNLLTLNRASAEEIQDHQCDILK | 0 |
15,456 | 65,816 | UN | 65,816 | Q82T56 | [Co+2].[Co+2].[H]*[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>[Co+].[Co+].*.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+].[H+].[H+] | 1.16.99.1 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Co+2].[Co+2]>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O.[Co+].[Co+] | MQWETVIGLEIHAQLSTRSKIFSGASVAYGAEPNSQACAVDIALPGVLPVLNRQAIEYAIRFGLAIDATINSPSVFARKNYFYPDLPKGYQISQLEHPIVEGGHVAIQTGDQEKTIRLTRAHLEEDAGKSTHEEFHGMTGIDLNRAGTGLLEIVSEPDMRSSAEAVAYAKVLHSLVRWIGICDGNMQEGSFRCDANVSVRPAGSEALGTRCEIKNLNSFRFLERAIDYEVARQIDILESGGSITQETRLYDADRDETRTMRSKEDAHDYRYFPDPDLLPVIIPQEWIDQIREKLPELPKDKRNRYIQDFGLQTYDANILT... | 0 |
15,457 | 81,375 | UN | 81,375 | P80196 | *O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1COP(=O)([O-])O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[H]O[H]>>[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O.*O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[H+] | null | *O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1COP(=O)(O)O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.O>>*O[C@H]1[C@@H](O)[C@H](*)O[C@@H]1CO.[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O | MMKSQKKLLIKIIVVQCLLVLCVTSQDFDFFYFVQQWPASYCDTRRSCCYPTTGKPDEDFSIHGLWPNYKDGKWPQNCDRESSLDESEFSDLISTMEKNWPSLACPSSDGLKFWSHEWLKHGTCSALNQHAYFQTALDFKTKSNLLQNLNNAGIKPRNGDYYGVESIKKAIEKGVGHTPFIECNVDSQGNHQLYQVYLCVDSSASKFIDCPIFPHGGKCGSKIEFPSFSTNDDHDEF | 0 |
15,458 | 80,255 | UN | 80,255 | Q6HCP7 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MDKKKVVLAYSGGLDTSVAIKWLQEKNYDIIALCLDLGEGKDLAFVKEKALSVGAIKSYMIDVQEEFANEYALMAMQAHTLYEGKYPLVSALSRPLIAKKLVEIAEQEGATAVAHGCTGKGNDQVRFEVSIQALNPYLEVIAPVREWKWSREEEIAYAKENNVPIPINLDSPFSIDQNLWGRSNECGILEDPWAAPPEDAYEMTLALEDTPNKPEFVEIGFEAGVPTTLNGTAYPLSELIKTLNALAGKHGVGRIDHVENRLVGIKSREVYECPAAMTLITAHKELEDLTLVKEVAHFKPMIEQKITELIYNGLWFSPLK... | 0 |
15,459 | 46,772 | UN | 46,772 | P46253 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.28 | *OC[C@@H](COC(=O)CCCCCCCCCCCCCCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALNINGVSLKSHKMLPFPCSSARSERVFMASTIHRPSVEVGSVKKAFTPPREVHVQVTHSMPPEKIEVFDSLRDWAAQNLLVHLKPVEKCWQPTDFLPDPASEGFDEQVKELRERCKEIPDDYFVVLIGDMITEEALPTYQTMINTLDGVRDETGATVTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMKQIEKTIQYLIGSGMDPRTENNPYLGFVYTSLRKGVTFVSHGNTARLAKEHGDMKLAQICGSIAADEKRHETAYTKIVEKLLEVDPDGAVLAIGDMMRKNISMPAHLMYDGRDDNLFEHFSAVAQRLG... | 0 |
15,460 | 75,903 | UN | 75,903 | Q9LSL5 | [H][C@]1([C@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | null | *N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | MLYFIFCQNLSSSSSMSNSILFLSLFLFLPFVVDSLYFNFTSFRQGDPGDIFYHGDATPDEDGTVNFNNAEQTSQVGWITYSKKVPIWSHKTGKASDFSTSFSFKIDARNLSADGHGICFFLAPMGAQLPAYSVGGFLNLFTRKNNYSSSFPLVHVEFDTFNNPGWDPNDVGSHVGINNNSLVSSNYTSWNASSHSQDICHAKISYDSVTKNLSVTWAYELTATSDPKESSSLSYIIDLAKVLPSDVMFGFIAAAGTNTEEHRLLSWELSSSLDSDKADSRIGLVIGISASGFVFLTFMVITTVVVWSRKQRKKKERDIE... | 0 |
15,461 | 80,651 | UN | 80,651 | Q2RI41 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.*C([H])=O.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[1*]C(=O)[O-].[H+].[H+].[H+] | null | *C=O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>[1*]C(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MGKVRNISGCVAVAHGVRLADVDVICSYPIRPYTGIMSELARMVADGELDAEFVHGEGEHAQLSVVYGASAAGARVFTGSSGVGVTYAMEVYSPISGERLPVQMAIADRTLDPPGDFGEEHTDAECCRDQGWIQGWASTPQEALDNTLIYYRVGEDQRVLLPQYACLDGYFVSHILGPVDIPDEAQVKEFLPPYKNHHVLDPRKPQIIGPQIEPAMGPPLQYQRYQAVKGVHKVLEEACDEFARIFGRKYDPYLDEYLTDDAEVIIFGQGAHMETAKAVARRLRNLGEKVGVARLRTFRPFPTEQIKERLSKFKAIGVLD... | 0 |
15,462 | 49,236 | UN | 49,236 | Q89AG6 | *N[C@@H](CC1=CN=CN1P(=O)([O-])[O-])C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CC1=CNC=N1)C(*)=O | 2.7.1.211 | *N[C@@H](Cc1cncn1P(=O)(O)O)C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>*N[C@@H](Cc1c[nH]cn1)C(*)=O.O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | MFKNAFSNLQKIGRSLMLPVSVLPIAGILLGIGSANFKIIPHTISNIMTEAGSSVFSNMPLIFAIGIALGFTKNDGVSALAAVVSYGIMTKTLSITIPIFSNLSDINVNQKYLLDTGILGGIIAGSISAYIFNTFYRIQLPEYLGFFAGRRFVPIASGLISIIFGCILSIIWPPIGNVIKTFSEWAAYQNPTLAFGIYGTVERALVPFGLHHIWNVPFQMQIGEYNNSIGQIFHGDIARYMAGDSTAGKLSGGFIFKMYGLPFAALAMWHCANKKNKAKIGGIMMSGALTAILTGITEPIEFSFILVAPILYVIHAILAG... | 0 |
15,463 | 78,975 | UN | 78,975 | Q86AG7 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MISNQDNIIQVSAPGKIILFGEHAVVLEKTAIASALSLRTTVTFTPNTNNTLLLDFPDLAGFGVREWSLDEFKKLDHFPNDIDILKPIECSELFQQELNKIIDIKGIHTFLFLFCALTKCTKAYNIKITSDLPIGAGLGSSASFCVSICAGLLKAFDTYICGGCKQCIGGQGQQQQICNEQLNLINLWSLQGEKIMHGTPSGIDNAVATFGKALTFTRKNGYKILENGIPPLRILITNTRVSRSTKTLVEGVIQRSKLYPTLIDPVSNLIDTISSQCIESFNQYHTDKDYEKLQQTMDLMFDMNQHLLSGCYGVGHSSID... | 0 |
15,464 | 80,759 | UN | 80,759 | Q8BW75 | O=C(OCCO)C1=CC=C(C(=O)OCCO)C=C1.[H]O[H]>>O=C([O-])C1=CC=C(C(=O)OCCO)C=C1.OCCO.[H+] | null | O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)OCCO)cc1.OCCO | MSNKSDVIVVGGGISGMAAAKLLHDCGLSVVVLEARDRVGGRTYTIRNKNVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEVERLIHFVKGKSYAFRGPFPPVWNPITYLDNNNLWRTMDEMGQEIPSDAPWKAPLAEEWDYMTMKELLDKICWTKSTKQIATLFVNLCVTAETHEVSALWFLWYVKQCGGTTRIISTTNGGQERKFIGGSGQVSERIKDILGDRVKLERPVIHIDQTGENVIVKTLNHEIYEAKYVISAIPPALGMKIHYSPPLPMLRNQLISRVPLGSVIKCMVYYKEPFWRKKDFCGTMVIEGE... | 0 |
15,465 | 78,783 | UN | 78,783 | D3UAG5 | O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[... | null | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | MGDVIVLYASPGMGHIVSMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFRTSGAAILAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKP... | 0 |
15,466 | 76,103 | UN | 76,103 | Q5G5T6 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MPALPVIDIRSNHVEDSLPEQIIKGLTSQPKTLPPLLFYSNEGLEHWNHHSRQPDFYPRRQEIEILKQGGNDIARSIAPSSVILDLGSANLEKVGYLLEALEAQEKDVLYFALDISAPQLATTLKEIPSSNFRHVRFAGLHGTFEDGLRWINETPEIRDLPHCVLLLGLTIGNFSRQNAAAFLQNIANHALTGASKNKSSILLSLDSCKVPTKVTRAYTSDGVVPFALQALTYAKALLCDRIDNGIDEKVLSCNLRPEHWHYLSEWNFALGRHEASLIPRFGDVCLGSMLQDIVVKKDEKVRFACSYKYDAKERQKLFLD... | 0 |
15,467 | 49,412 | UN | 49,412 | Q8HYJ6 | C[C@@H]1O[C@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O.CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O... | 2.4.1.341 | CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.C[C@@H]1O[C@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)[C@@H](O)C[C@@H]1O>>CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@@H](O)C[C@@H]1O.Nc1nc... | MDPLGPAKPQWSCRCCLTTLLFQLLVAVCFFSYLRVSRDDPTVYPNGSRFPDSTGTPARSIPLILLWTWPFNKPTALPRCSEMLPGTADCNITADRKVYPQADAVIVHHREVMYNPSAQLPRSPRRQGQRWIWFSMESPSHCWQLKAMDGYFNLTMSYRSDSDIFTPYGWLEPWSGQPAHPPLNLSAKTELVAWAVSGWGPNSARVRYYQSLQAHLKVDVYGRSHKSLPQGTMMETLSRYKFYLAFENSLHPDYITEKLWRNALEAWAVPVVLGPSRSNYERFLPPDAFIHVDDFQSPKDLARYLQELDKDHARYLSYFG... | 0 |
15,468 | 77,475 | UN | 77,475 | P62915 | C1=NCCCC1C1CCCC[NH2+]1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)N1C=C(C2CCCC[NH2+]2)CCC1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS | null | C1=NCCCC1C1CCCCN1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)N1C=C(C2CCCCN2)CCC1.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS | MASTSRLDALPRVTCPNHPDAILVEDYRAGDMICPECGLVVGDRVIDVGSEWRTFSNDKATKDPSRVGDSQNPLLSDGDLSTMIGKGTGAASFDEFGNSKYQNRRTMSSSDRAMMNAFKEITTMADRINLPRNIVDRTNNLFKQVYEQKSLKGRANDAIASACLYIACRQEGVPRTFKEICAVSRISKKEIGRCFKLILKALETSVDLITTGDFMSRFCSNLCLPKQVQMAATHIARKAVELDLVPGRSPISVAAAAIYMASQASAEKRTQKEIGDIAGVADVTIRQSYRLIYPRAPDLFPSDFKFDTPVDKLPQL | 0 |
15,469 | 46,568 | UN | 46,568 | P15150 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALWAKARVRMAGPWLSLHEARLLGTRGAAAPKAVLPFEAMPRCPGNKWMRMLQIWKEQSSENMHLDMHQTFQELGPIFRYDVGGRHMVFVMLPEDVERLQQADSHHPQRMILEPWLAYRQARGHKCGVFLLNGPQWRLDRLRLNPDVLSLPALQKYTPLVDGVARDFSQTLKARVLQNARGSLTLDIAPSVFRYTIEASTLVLYGERLGLLTQQPNPDSLNFIHALEAMLKSTVQLMFVPRRLSRWMSTNMWREHFEAWDYIFQYANRAIQRIYQELALGHPWHYSGIVAELLMRADMTLDTIKANTIDLTAGSVDTTA... | 0 |
15,470 | 22,984 | UN | 22,984 | A5EVP6 | NC(=O)C(=O)[O-].NC(=O)OP(=O)([O-])[O-]>>NC(=O)NC(=O)C(=O)[O-].O=P([O-])([O-])O | 2.1.3.5 | NC(=O)C(=O)O.NC(=O)OP(=O)(O)O>>NC(=O)NC(=O)C(=O)O.O=P(O)(O)O | MSLVGCHILSIDHFSRQDLEELLMTAKLLEPVAQRKVRCNVLDGSVMANLFFEASTRTRMSFHTAFARLGGSVVDTTGFTFSSISKGESLSDTARVIAGYADVIVMRHPDQGSVAEFASKINVPVINAGDGIGEHPSQALLDYYTINNEFERLKKNIDGMTIAMVGDLKNGRTIHSLAKLLSLFDNIHFRFIAPETLRAPAELLELLRSRGHDVQEFDDIANGLPGTDIIYATRIQRERIKDGELMEGYSEKFRINAAAVARYATPETIIMHPLPRDSRAGAFDLSTDLDNHPQLAIFRQADNGVTVRMAIFAMVLNVHR... | 0 |
15,471 | 82,567 | UN | 82,567 | Q8N2K0 | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | null | CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO.CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC(=O)CCCCCCC/C=C\CCCCCCCC.OCC(O)CO | MRKRTEPVALEHERCAAAGSSSSGSAAAALDADCRLKQNLRLTGPAAAEPRCAADAGMKRALGRRKGVWLRLRKILFCVLGLYIAIPFLIKLCPGIQAKLIFLNFVRVPYFIDLKKPQDQGLNHTCNYYLQPEEDVTIGVWHTVPAVWWKNAQGKDQMWYEDALASSHPIILYLHGNAGTRGGDHRVELYKVLSSLGYHVVTFDYRGWGDSVGTPSERGMTYDALHVFDWIKARSGDNPVYIWGHSLGTGVATNLVRRLCERETPPDALILESPFTNIREEAKSHPFSVIYRYFPGFDWFFLDPITSSGIKFANDENVKH... | 0 |
15,472 | 78,519 | UN | 78,519 | P45314 | [H][C@]1([C@H](O)CO)O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O | null | CC(=O)N[C@H]1[C@H]2O[C@@](C(=O)O)(C[C@@H]1O)O[C@@H]2[C@H](O)CO.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O | MQQKLENIKFVITDVDGVLTDGQLHYDANGEAIKSFHVRDGLGIKMLMDADIQVAVLSGRDSPILRRRIADLGIKLFFLGKLEKETACFDLMKQAGVTAEQTAYIGDDSVDLPAFAACGTSFAVADAPIYVKNAVDHVLSTHGGKGAFREMSDMILQAQGKSSVFDTAQGFLKSVKSMGQ | 0 |
15,473 | 78,971 | UN | 78,971 | Q62967 | C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H+]>>C=C(C)CCOP(=O)([O-])[O-].O=C=O | 4.1.1.126 | C/C(=C\C(=O)O)CCOP(=O)(O)O>>C=C(C)CCOP(=O)(O)O.O=C=O | MASEKPQDLMVTCTAPVNIAVIKYWGKRDEALILPINSSLSVTLHQDQLKTTTTAAISKDFTEDRIWLNGREEDVGQPRLQACLREIRRLARKRRSTGDGDALPLSLGYKVHVASVNNFPTAAGLASSAAGYACLAYTLARVYGVEGDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQIAPEWHWPQLRVLILVVSAEKKPTGSTVGMQTSVATSTLLKFRAESIVPERMKEMTRCIQEQDFQAFAQLTMKDSNQFHATCLDTFPPISYLNDTSRRIIQLVHRFNAHHGQTKVAYTFDAGPNAVIFTLEDTV... | 0 |
15,474 | 77,231 | UN | 77,231 | Q3TCT4 | C[C@H](O)CP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>C[C@H](O)CP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+] | null | C[C@H](O)CP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>C[C@H](O)CP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 | MARISFSYLCPASWYFTVPTVSPFLRQRVAFLGLFFIPCVLLLLLIMDLRHWATSLPRDRQYERYLARVGDLEATNTEDPNLNYGLVVDCGSSGSRIFVYFWPRHNGNPHDLLDIKQMRDRNSQPVVKKIKPGISAMADTPEHASDYLRPLLSFAAAHVPVKKHRETPLYILCTAGMRLLPERQQLAILADLVKDLPLEFDFLFSQSQAEVISGKQEGVYAWIGINFVLGRFDHEDESDSDTSVDSAAGRRRTVGILDMGGASLQIAYEVPTSASDLPPKQEEAAKILLAEFNLGCDVQHTEHVYRVYVTTFLGFGGNFA... | 0 |
15,475 | 81,407 | UN | 81,407 | C0PWZ0 | NC1=NC=NC2=C1N=CN2[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@]1(COP(=O)([O-])[O-])O[C@@]([H])(N2C=NC3=C(N)N=CN=C32)[C@@H]1C=O.C[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.CSCC[C@H]([NH3+])C(=O)[O-].[H+] | 5.3.99.13 | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O)O1>>CSCC[C@H](N)C(=O)O.C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@H]1C=O | MASQLTDAFARKFYYLRLSITDVCNFRCTYCLPDGYKPGGVTNNGFLTVDEIRRVTRAFASLGTEKVRLTGGEPSLRRDFTDIIAAVGENDAIRQIAVTTNGYRLARDAANWREAGLTGVNVSVDSLDARQFHAITGQDKFRQVMAGIDAAFDAGFEKVKVNTVLMRDVNHYQLDTFLAWIQPRPIQLRFIELMETGEGSDLFRKHHISGQVLRDELIKRGWIHQLRQRSDGPAQVFCHPDYAGEIGLIMPYEKDFCATCNRLRVSSVGKLHLCLFGDGGVSLRDLLQDDAQQYALEERISDALREKKQTHFLHQSNTGI... | 0 |
15,476 | 13,961 | UN | 13,961 | Q93SW0 | C=CC1=C(C)C2=N/C1=C\C1=C(C)C(CCC(=O)[O-])=C(/C=C3\N=C(/C=C4\N/C(=C\2)C(C=C)=C4C)C(C)=C3CCC(=O)[O-])N1.[Mg+2].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Mg-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C... | 6.6.1.1 | C=CC1=C(C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(C)c5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O.[Mg+2]>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Mg-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)... | MIAFTDIVGMDLAKQALMLLAVDPSLGGVVIPSTVGSGKSTLARAFADILPEGTPFVELPLNVTEDRLIGGVDLEATLASGQRVVQHGVLSKAHKGVLYVDSLSLLDSSAVSHIMDAMSRGAVIVEREGLSEVHPADFMLVGTYDPSDGEVRMGLLDRIGIIVPFTPVNDYRARKQIVSLVMGTRNEEDTQDELRMLRGIIGAAREQLHHVSITNEQIKGLIQTAISLGVEGNRVDIFAIRAAIANAALNQRTEVDDEDLKLAMKLVLVPRATRMPEREPNPEEMAQDEPPPQEEQPQDEAEDQNAPPDEADSDADEEQE... | 1 |
15,477 | 80,347 | UN | 80,347 | I1RJR2 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)C[C@@H](O)[C@@H]3OC3(C)C)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](OC(C)=O)[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])C(CO)CC=O)[C@]1(C)[C@H](OC(C)=O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](... | null | CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)C[C@@H](O)[C@@H]5OC5(C)C)[C@]4(C)CC[C@@H]3[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(=O)O[C@H]1CC(=O)OC(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC[C@@H](C(CO)CC=O)[C@]4(C)CC[C@@H]3[C@@]12C.CC(C... | MFHLLIYPLWVLVALFAVIIANLLYQQLPRRPDEPPLVFHWFPFFGNAVAYGLDPCGFFEKCREKHGDVFTFILFGRKIVACLGVDGNDFVLNSRLQDANAEEVYGPLTIPVFGSDVVYDCPNSKLMEQKKFVKFGLTQKALESHVQLIEREVLDYVETDPSFSGRTSTIDVPKAMAEITIFTASRSLQGEEVRRKLTAEFAALYHDLDLGFRPVNFLFPWLPLPHNRKRDAAHIKMREVYMDIINDRRKGGIRTEDGTDMIANLMGCTYKNGQPVPDKEIAHMMITLLMAGQHSSSSASSWIVLHLASSPDITEELYQE... | 0 |
15,478 | 80,955 | UN | 80,955 | G3ESV1 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.[NH3+]CC(=O)[O-]>>CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@H](O)CCCCCCCCCCCCC)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O | MVAAAASSAFFSFPTPGTSPKPGKFGNWPSSLSIPFNPKSNHNGGIQVKANASAHPKANGSAVSLKAGSLETQEDTSSPSPPPRTFISQLPDWSMLVSAITTVFVAAEKQWTMLDRKSKRPDVLVEPFVQDGVSFRQSFSIRSYEIGVDRTASIETLMNIFQETSLNHCKSLGLLNDGFGRTPEMCKRDLIWVVTKMQIEVNRYPTWGDTIEVTTWVSESGKNGMSRDWLISDCHSGEILIRATSVWAMMNQKTRRLSKIPDEVRQEIVPYFVDSAPVIEDDRKLHKLDVKTGDSIRNGLTPRWNDFDVNQHVNNVKYIA... | 0 |
15,479 | 76,503 | UN | 76,503 | B5XUE4 | COC1=CC(/C=C/C(=O)[O-])=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C=O)=C1.CC(=O)[O-] | 4.1.2.65 | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CC(=O)O.COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | MQANDITFFQRFQEDILAGRKTITIRDAAESHFKPGDVLRVGRYEDDGYFCTIAVTATSTVTLDTLTEEHARQENMTLEQLRQVIMEIYPAEDRFYVIEFKRL | 0 |
15,480 | 69,316 | UN | 69,316 | Q8CFG0 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCSC#N.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCSC#N.O=S(=O)(O)O | MAPPGLPLWLLSTALLSLLAGSSAFLSHPRLKGRFQRDRRNIRPNIILVLTDDQDVELGSMQVMNKTRRIMEQGGAHFINAFVTTPMCCPSRSSILTGKYVHNHNTYTNNENCSSPSWQAQHESRTFAVYLNSTGYRTAFFGKYLNEYNGSYVPPGWKEWVGLLKNSRFYNYTLCRNGVKEKHGSDYSTDYLTDLITNDSVSFFRTSKKMYPHRPVLMVISHAAPHGPEDSAPQYSRLFPNASQHITPSYNYAPNPDKHWIMRYTGPMKPIHMEFTNMLQRKRLQTLMSVDDSMETIYDMLVETGELDNTYILYTADHGY... | 0 |
15,481 | 75,263 | UN | 75,263 | Q6UG02 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=O>>O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2.[H]OO[H] | 1.1.3.50 | O=O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MSASSSDPFHSFAKTSFTSKAAKRATAHSLPPLPGPGDLPPGMNVEYDVAIVGSGPIGSTYARELVEAGFNVAMFEIGEIDSGLKIGSHKKNTVEYQKNIDKFVNVIQGQLMPVSVPVNTMVVDTLSPASWQASTFFVRNGANPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFEKLQRPLLVKNDPVADDAEWDRLYKKAESYFKTGTTQFAESIRHNLVLKKLQEEYKGVRDFQQIPLAATRQSPTFVEWSSAHTVFDLENRPNKDAPKQRFNLFPAVACTSVRRNDANSEIIGLDVRDLHGGKSITIKAKVYILTA... | 0 |
15,482 | 80,947 | UN | 80,947 | B7ULX3 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.[NH3+]CC(=O)[O-]>>[1*][C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[1*][C@@H](O)CC(=O)NCC(=O)O | MSWQEKIDAALDARRVADALRRRYPVAQGAGRWLVADDCQYLNFSSNDYLGLSHHPQIIRAWQQGAEQFGVGSGGSGHVSGYSVAHQALEEELAEWLGYSRALLFISGFAANQAVIAAMMAKEDRIVADRLSHASLLEAASLSPSPLRRFAHNDVTHLARLLASPCPGQQLVVTEGVFSMDGDSAPLEEIQQVTQQHDGWLMVDDAHGTGVIGEQGRGSCWLQKVKPELLVVTFGKGFGVSGAAVLCSDTVADYLLQFARHLIYSTSMPPAQAQALRASLGVIRSDEGDTRREKLAALITRFRAGVQDLPFTLADLCSAI... | 0 |
15,483 | 80,879 | UN | 80,879 | Q704S8 | [H][C@]1(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@]1(CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@@]2([H])C(C)(C)[C@@]([H])(OC(C)=O)CC[C@]12C.CC(C)(COP... | null | C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>C=C1CC[C@H]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)nc... | MLAFAARTVVKPLGLLKPSSLMKVSGRFKAHQDALPRLPVPPLQQSLDHYLKALQPIVSEEEWAHTKQLVDEFQTSGGVGERLQKGLERRAKKMENWLSEWWLKTAYLQFRQPVVIYSSPGVLLPKQDFMDLQGQLRFAAKLIEGVLDFKSMIDNETLPVEFLGGQPLCMNQYYQILSSCRVPGLKQDSVVNFLKSKKPPTHITVVHNYQFFELDVYHSDGTPLTSDQIFVQLEKIWNSSLQSNKEPVGILTSNHRNSWAKAYSSLIKDKVNRESVNSIQKSIFTVCLDKQVPRVSDDVYRSHVAGQMLHGGGSKFNSGN... | 0 |
15,484 | 50,340 | UN | 50,340 | B6V6V6 | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>[H][C@@]12CCC3=CC(=O)C[C@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.19 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MTTVEVPHGSRSVILTVSAVVEETADTRSIVFAVPDELRDKFAYRPGQFLTLRIPSDRTGSVARCYSLASSPFTDDAPKVTVKRTSDGYGSNWLCDNIATGQTLEVLPPAGVFTPKSLDHDFLLFGAGSGITPVISILKSALTQGGGKVVLVYANRDEKSVIFAEELRALAEKYPTRLTVVHWLESVQGLPTADQLAAIAAPYESYEAFMCGPGPFMDTVHQALNTVGMPRARVHAEVFNSLSGDPFADQAPVEVSDEDAADAATVEVELDGEVHKLSWPRKQTLVDIMLAKGIDVPYSCQEGECGSCACTVLEGKVEME... | 0 |
15,485 | 33,087 | UN | 33,087 | Q6AXB1 | O=C([O-])C1=CC2=C(C=C1)[C@@]1(CCC2=O)OC(O)[C@H](O)[C@@H]1O>>O=C([O-])C1=CC2=C(C=C1)C(O)=CC=C2O.O=C(CO)CO | 4.1.99.29 | O=C(O)c1ccc2c(c1)C(=O)CC[C@@]21OC(O)[C@H](O)[C@@H]1O>>O=C(CO)CO.O=C(O)c1ccc2c(O)ccc(O)c2c1 | MDPPCSLSASFEGSFAYLTVRDRLPQILTKVIDTVHRNKHKFFEDHGEEGVEAEKRALSFFSKLRNEMQTNKPVLPLTDNQLDTELWNQYLDYQKSLLNEGETPSWFKSPWLYVECYMYRRIQEGIVLSPPISKYDVFREGKIESFFQSQPAIIALCTYLQELKKNMAALSENQKQEELYKLLQVCLWGNKCDLSISGGLDNSQKFSILSSLESFRPFILVNDMESVLSVLLESKNPESGKELMKRVDIVLDNAGFELITDFVLADALLSFRLASEVHFHGKCMPWFVSDTTKHDFNWTIKQLQAANHKWMSKCGGNWKE... | 0 |
15,486 | 80,639 | UN | 80,639 | Q2RWR8 | [NH3+]CC=O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[NH3+]CC(=O)[O-].[H+].[H+].[H+] | null | NCC=O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MTCRPALSDSHPPEPGTPSSPSFGVCGDRPLLRERGQHEVFCGLAGIIWLHRKIQDAFFLIIGSRTCAHLMQSAAGVMIFAEPRFATAVLEEQDLAGLADAQDEIDRVVARLLERRPDIRLLFLVGSCPSEVIKIDLQRAALRLSKVHGARTRVVSYSGSGLETTFTQGEDACLAALVPDLPSAAADEAPDLLVVGTLPDVVEDQFGRLFAEMGIARTAFLPPRRSTALPAIGPKTRFLLAQPFLGDTARCLEARGARRLAAPFPFGVEGTTGWLAAAAQAFGVDDLTFRRVTAPGRERAARALERQRATLEGKRVFFFP... | 0 |
15,487 | 64,856 | UN | 64,856 | P0DPK6 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.222 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O | MTVNEIDLPPIFCPLESARHPRAHLVDERAREWIRTSPMCTTDEERTWVAASCSTDFFARFAPDAATDDRLLWTSLWVYWGFAFDDHRCDNGPFSNRPAAFSALAGRVQRALEAPSARDESDGFIPALQEIAAQFRSFGTPLQVRRFAAAHRAWLSGVTWQIGNAAAGRMPGLDEYVAMRLLSAGGEPPFAMLELATGLEVPAQDLERPAVRALTEMAIMVAALDNDRHSLRKELARGQTDQNVYSVLMQETGLPLQEAVAAATRLRDRVLLRFMAVHDRVRPGAGLELSTYLQGLRYGIRGNAEWGLRVPRYLSLGRVP... | 0 |
15,488 | 64,856 | UN | 64,856 | P20133 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.222 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O | MSGSLTLLKEKHIRYIESLDTKKHNFEYWLTEHLRLNGIYWGLTALCVLDSPETFVKEEVISFVLSCWDDKYGAFAPFPRHDAHLLTTLSAVQILATYDALDVLGKDRKVRLISFIRGNQLEDGSFQGDRFGEVDTRFVYTALSALSILGELTSEVVDPAVDFVLKCYNFDGGFGLCPNAESHAAQAFTCLGALAIANKLDMLSDDQLEEIGWWLCERQLPEGGLNGRPSKLPDVCYSWWVLSSLAIIGRLDWINYEKLTEFILKCQDEKKGGISDRPENEVDVFHTVFGVAGLSLMGYDNLVPIDPIYCMPKSVTSKFK... | 0 |
15,489 | 69,272 | UN | 69,272 | A8AB48 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>C=CCN=C=S.O=S(=O)([O-])[O-] | null | C=CC/C(S)=N/OS(=O)(=O)O>>C=CCN=C=S.O=S(=O)(O)O | MVSKPHGGKLVERVAKGKTRERLVEEAKEMVNVQVDEGLAADVANVAHGVYSPLEGFMVREDYLSVLEFMRLSNDLPWTIPIILDVDENVKKSVREGDEVAIFFKGKPIAILYVEEIFPWDKNYHTLKVFKTDDLNHPGVRKVFNKKDYLLGGPLIQISDVPEPFEKYRLWPKETRVLFEQKGWKRVAAFQTRNVPHLGHEYVQKAALTFTDGLFVNPLVGWKKPGDFRDEVIIKAYEALIEHYYPKDSVAFSVLRMEMRYAGPREAVHHAIVRKNFGATHFIVGRDHAGVGNYYGPYEAWDIFKNFPDLGITPLFVREA... | 0 |
15,490 | 78,819 | UN | 78,819 | P00386 | NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-]>>NC(=[NH2+])NCCCC(=O)C(=O)[O-].[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-] | 2.6.1.125 | N=C(N)NCCC[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O>>N=C(N)NCCCC(=O)C(=O)O.N[C@@H](CCC(=O)O)C(=O)O | MAITLSATSLPISAADHHPLPLTVGVLGSGHAGTALAAWFASRHVPTALWAPADHPGSISAIKANEGVITTEGMINGPFRVSACDDLAAVIRSSRVLIIVTRADVHDSFVNELANFNGELATKDIVVVCGHGFSIKYERQLRFKRIFETDNSPITSKLSDQKKCNVNIKEMKASFGLSCFPIHRDDAGVIDLPEDTKNIFAQLFSARIICIPPLQVLFFSNCITHAVPAVMNIGRLRDPANSLTKRAEKWLLELDERTPRAEKGFFFYGEGSNTYVCNVQEQIDHERRKVAAACGLRLNSLLQECNDEYDTDYETLREYC... | 0 |
15,491 | 76,995 | UN | 76,995 | Q2RWR8 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H+]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]... | 1.18.1.2 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O... | MTCRPALSDSHPPEPGTPSSPSFGVCGDRPLLRERGQHEVFCGLAGIIWLHRKIQDAFFLIIGSRTCAHLMQSAAGVMIFAEPRFATAVLEEQDLAGLADAQDEIDRVVARLLERRPDIRLLFLVGSCPSEVIKIDLQRAALRLSKVHGARTRVVSYSGSGLETTFTQGEDACLAALVPDLPSAAADEAPDLLVVGTLPDVVEDQFGRLFAEMGIARTAFLPPRRSTALPAIGPKTRFLLAQPFLGDTARCLEARGARRLAAPFPFGVEGTTGWLAAAAQAFGVDDLTFRRVTAPGRERAARALERQRATLEGKRVFFFP... | 0 |
15,492 | 81,143 | UN | 81,143 | Q9SPU3 | COC1=C2\OCO\C2=C/C(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>COC1=C2\OCO\C2=C/C(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC(C)(COP(=O)([O-])O... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.COc1cc(C[C@H]2CN(C(C)=O)[C@... | MNVTMHSKKLLKPSIPTPNHLQKLNLSLLDQIQIPFYVGLIFHYETLSDNSDITLSKLESSLSETLTLYYHVAGRYNGTDCVIECNDQGIGYVETAFDVELHQFLLGEESNNLDLLVGLSGFLSETETPPLAAIQLNMFKCGGLVIGAQFNHIIGDMFTMSTFMNSWAKACRVGIKEVAHPTFGLAPLMPSAKVLNIPPPPSFEGVKFVSKRFVFHENALTRLRKEATEEDGDGDDDQKKKRPSRVDLVTAFLSKSLIEMDCAPKELTKSRPSLMVHMMNLRKRTKLALENDVSGNFFIVVNAESKITVAPKITDLTESL... | 0 |
15,493 | 80,207 | UN | 80,207 | A0A2H5AIX7 | NC(=[NH2+])NCCC[C@@H]1NC(=O)C(CC2=CC=C(O)C=C2)NC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+] | null | Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.N=C(N)NCCC[C@@H]1NC(=O)C(Cc2ccc(O)cc2)NC1=O.O=O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O.O | MDLILLEKSLLAVFFAVIFSIIVSKLRGKKLKLPPGPFPVPVFGNWIQVGDDLNHRNLAGLAKKFGDIFLLRMGQRNLVVVSSPDLARDVLHTHGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVNQYRFGWEEEAARVVEDVKKDPMAAAEGIVLRRRLQLLMYNNMYRIMFDRRFESVDDPLFLKLTALNGERSRLAQSFEYNYGDFIPILRPFLRGYLKICKQVKERRFKLFKDYFLEERKKLASTKPTDNAGLKCAIDHILDAEKKGEINEDNVLYIVENINVAAIETTLWSIEWGIA... | 0 |
15,494 | 73,655 | UN | 73,655 | Q8J207 | [H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.[Fe+3].[Fe+3]>>C[NH+]1CCC=C1C1=CC=CN=C1.[Fe+2].[Fe+2].[H+].[H+] | 1.4.2.2 | CN1CCC[C@H]1c1cccnc1.[Fe+3].[Fe+3]>>CN1CCC=C1c1cccnc1.[Fe+2].[Fe+2] | MDIVLEVCDTFLFDPLYATLLPAQASSFTANATANATLSSIRQEPTAYALPHASWQYEPATKYFSIEPSKYAYMSSWPRDDWRRQALTLYLITWLFGVCVYYLFAGLSYLLVFDKATFNHPRYLKHQIKLEMKQANIAFPIMAIFTVPWFLAEVRGYSKLYDTTEKGPGRWYDYLQIPFFIAFTDLCIYWIHRGLHHPMVYKHIHKPHHKWIMPTPFASHAFHPIDGYAQGLPYYIFPFLFPLSKIASVAFFVFVNIWTVLIHDGEYAHNSPIINGAACHTMHHLYFNYNYGQFTTLWDRLGGSYRKPNDELFKRELKMC... | 0 |
15,495 | 66,920 | UN | 66,920 | B5Y9V1 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.14 | O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=S(=O)(O)C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)CS(=O)(=O)O | MKFFLDTAFVEEIRAAKEWGILDGVTTNPTLVAKTGKGFMEVVQDILNIVEGPVSIEVVAQDAQGMVEQAQQLRRLGEQVVIKIPATQEGIKAVKVLSQEGIPTNVTLIFQPLQALLAAKAGATYVSPFVGRLEDIGHDAMDLVFDIKNIFDNYGFETQIIVASIRHPKHVLDAARMGADICTVPFKVMEQLFKHALTDRGLEQFLADWSKVPGRPF | 0 |
15,496 | 49,236 | UN | 49,236 | Q2FK73 | *N[C@@H](CC1=CN=CN1P(=O)([O-])[O-])C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CC1=CNC=N1)C(*)=O | 2.7.1.211 | *N[C@@H](Cc1cncn1P(=O)(O)O)C(*)=O.OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O>>*N[C@@H](Cc1c[nH]cn1)C(*)=O.O=P(O)(O)OC[C@H]1O[C@H](O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O | MRKKLFGQLQRIGKALMLPVAILPAAGLLLAIGTAMQGESLQHYLPFIQNGGVQTVAKLMTGAGGIIFDNLPMIFALGVAIGLAGGDGVAAIAAFVGYIIMNKTMGDFLQVTPKNIGDPASGYASILGIPTLQTGVFGGIIIGALAAWCYNKFYNINLPSYLGFFAGKRFVPIMMATTSFILAFPMALIWPTIQSGLNAFSTGLLDSNTGVAVFLFGFIKRLLIPFGLHHIFHAPFWFEFGSWKNAAGEIIHGDQRIFIEQIREGAHLTAGKFMQGEFPVMMFGLPAAALAIYHTAKPENKKVVAGLMGSAALTSFLTGI... | 0 |
15,497 | 76,083 | UN | 76,083 | Q9QXF7 | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+] | null | CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MLATAGSLIATIWAALHLRTLLVAALTFLLLADYFKTRRPKNYPPGPWGLPFVGNIFQLDFGQPHLSIQPFVKKYGNIFSLNLGDITSVVITGLPLIKETFTHIEQNILNRPLSVMQERITNKNGLIFSSGQTWKEQRRFALMTLRNFGLGKKSLEQRMQEEAHYLVEAIREEKGKPFNPHFSINNAVSNIICSVTFGERFEYHDSRFQEMLRLLDEVMYLETTMISQLYNIFPWIMKYIPGSHQTVFRNWEKLKLFVSSMIDDHRKDWNPEEPRDFIDAFLKEMSKYPEKTTSFNEENLICSTLDLFFAGTETTSTTLR... | 0 |
15,498 | 78,499 | UN | 78,499 | Q02169 | CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>CC(=O)N(O)CCCP(=O)([O-])O.NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+] | null | CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1 | MTKPLILASQSPRRKELLDLLQLPYSIIVSEVEEKLNRNFSPEENVQWLAKQKAKAVADLHPHAIVIGADTMVCLDGECLGKPQDQEEAASMLRRLSGRSHSVITAVSIQAENHSETFYDKTEVAFWSLSEEEIWTYIETKEPMDKAGAYGIQGRGALFVKKIDGDYYSVMGLPISKTMRALRHFDIRA | 0 |
15,499 | 56,356 | UN | 56,356 | A0A0H3LKL4 | O=C([O-])C1=CC(Br)=C(O)C=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=C(Br)C=C(Br)C=C1.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1ccc(Br)cc1Br | MQGKPRIAVIGAGLGGTAGAALMARAGFNVRLYEQAPAFSRLGAGIHLGPNVMKIMRRIGIEDELNRQGSHPDYWYSRDWQSGAELARIPLGDYAVSHYGATYLTVHRGDFHALMTAALPAGLLQFNKRLTRVDEDDDVVRLHFADGSVEEAEIVIGADGVNSRLREHLLGAELPKYTGYVAHRAVFPTPLDSGSLPFDMCVKWWSDDRHMMVYFVTGKRDEIYYVTGVPEQQWDMGKSWVPSSKAEMRAAFAGWHPTVQALIEATPEVSKWPLLERDPLPLWSRGRIVLLGDACHPMKPHMAQGAAMAIEDAAMLTRIF... | 0 |
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