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 |
|---|---|---|---|---|---|---|---|---|---|
14,586 | 76,427 | UN | 76,427 | A0A1L9WUX8 | CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.*>>CCCCC(=O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.[H]*[H] | null | CCCC[C@H](O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2>>CCCCC(=O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2 | MTRSSPKSILRRVAAHEGAPKILQVLKEDGAVIIRGFLNQNLFQKLNKEMEDELAKRPLICEHNGEWVSGLAGSQTRRLNQLPAFSPTFRQEILNHPLFHEICEPLFGTHGCDYWMNTATVVQIGPGNAAQSLHRDQELYPVFNPIGKDAPEALVNFFCALSTFTDENGATRVIPGSHQWDDFTTDVTRCVPQTIPAEMEAGDCLLFSGKTVHGGGANRSKDNVRRGMALGVQATYLTAEENYQHIPREIVESMTPLAQKMIHWRSSYCPGGAGLWQINGTELANEIGLKANQPKKTI | 0 |
14,587 | 69,252 | UN | 69,252 | P51688 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>N#CCC1CS1.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>N#CCC1CS1.O=S(=O)(O)O | MSCPVPACCALLLVLGLCRARPRNALLLLADDGGFESGAYNNSAIATPHLDALARRSLLFRNAFTSVSSCSPSRASLLTGLPQHQNGMYGLHQDVHHFNSFDKVRSLPLLLSQAGVRTGIIGKKHVGPETVYPFDFAYTEENGSVLQVGRNITRIKLLVRKFLQTQDDRPFFLYVAFHDPHRCGHSQPQYGTFCEKFGNGESGMGRIPDWTPQAYDPLDVLVPYFVPNTPAARADLAAQYTTVGRMDQGVGLVLQELRDAGVLNDTLVIFTSDNGIPFPSGRTNLYWPGTAEPLLVSSPEHPKRWGQVSEAYVSLLDLTP... | 0 |
14,588 | 65,780 | UN | 65,780 | P97720 | COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(OC)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | COc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(OC)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRAKADVWLARPWQCLPRTRALGTTAALAPNTLRPFEAIPQYSRNRWLKMLQILREEGQEGLHLEMHEAFRELGPIFRYSMGRTQVVYVMLPEVAEKVFQADSTQPSRTLLEPWVAHREHRGLSRGVFLLNGPEWRFNRLRINPHMLSPKAVQKFVPMVDMVARDFLEFLKKKVLANAHGSLSMNFYSSMFNYTIEASHFVLFGERLGLLGDDLNSGSLKFVNALNSIMKTTPQLMLLPSGLTRWISTRVWKENFDSWDFVSEYVTKNVKNVYQEVQSGGPQSWSVISQLVAEGALTMDAILANSLELTAGSVDTTSV... | 0 |
14,589 | 65,784 | UN | 65,784 | P30100 | CN(C)C(=O)NC1=CC=C(Cl)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CN(C)C(=O)Nc1ccc(Cl)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSMKLTAGSVDTTA... | 0 |
14,590 | 78,975 | UN | 78,975 | P42896 | 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 | MAITIVSVRARQIFDSRGNPTVEADIKLSDGHLARAAVPSGASTGIYEALELRDGGSDYLGKGVSKAVENVNSIIGPALIGKDPTEQTALDNFMVQELDGTVNEWGWCKQKLGANAILAVSLALCKAGAHVKGIPLYKHIANLAGNKNLVLPVPAFNVINGGSHAGNKLAMQEFMILPVGASSFKEAMKMGAEVYHHLKSVIKKKYGQDATNVGDEGGFAPNIQENKEGLELLKTAIAKAGYTGKVVIGMDVAASEFYGSDKTYDLNFKEENNDGSQKISGEALKDLYKSFASEYPIVSIEDPFDQDDWEHYSKLTSEIG... | 0 |
14,591 | 80,867 | UN | 80,867 | F1DBA8 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.[H]*[H].O=O>>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]O[H] | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.O=O>>C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C.O | MSLPLPPALSELARALPYSRTQWLPIFVGFLIGYPILIRALRYKRHGEMKKKFYFPTRESMAEMTDEEAFLIQKEMAQLEFPFMFLTSGQFALFRTYGIPTISHLLTKTGQFSKPETSFKRYTDTAALIGEMVENSPTSQRAFISVARTRFLHSGYQASGKILDADLLYTLALFAVQPVRFIENFEWRTLSDLELCAIGTFWKSLGDALGISSEILPSGKTGFKDGIQWLEEVDVWSQDYEAKYMVPDPKNRESADQATAMLISNRYEAPTPGWSMVFSTLLAIRKLILRYLSPPRPAALAVSNIAQKPDKDDRYHRMSW... | 0 |
14,592 | 59,064 | UN | 59,064 | K0I210 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=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>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MAVDKEVELHAQAWDHALSYITPTALSAAVELEIPDILEDHGGLMSLSELSAASGCPREPLYRLMRFLIFHGIFTKSNDCYAQSPLSRVFTRENLGPYMLMQATPVTRSPAGLSGEALKTGTPLYLKSIRGEDSWNDPAYGFHMRAFTNGMAAHARLTAAAIVTNYPTAFNGVRSVVDVGGRHGMAIGKLVEAFPWVRGIAFDLPEVVADAPPRKGVDFVGGDMFESLPKADAVMLMWVLHDWSDDKCIEILKKCKEAIPTSTGKVMIVDAIINEEGEGDEFSGARLSLDMTMMAMTTQGKERSYKEWVHLLNEAGFSKH... | 0 |
14,593 | 46,772 | UN | 46,772 | B8A7A3 | *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 | MQVVGTVRVSGCGAVVAPSRRQCRVSAAVLTAAETATATRRRVTHSMPPEKAEVFRSLEGWARSSLLPLLKPVEECWQPTDFLPDSSSEMFEHQVHELRARAAGLPDEYFVVLVGDMITEEALPTYQTMINTLDGVRDETGASACPWAVWTRTWTAEENRHGDILGKYMYLSGRVDMRMVEKTVQYLIGSGMDPGTENNPYLGFVYTSFQERATAVSHGNTARLARAHGDDVLARTCGTIAADEKRHETAYGRIVEQLLRLDPDGAMLAIADMMHKRITMPAHLMHDGRDMNLFDHFAAVAQRLNVYTARDYADIVEFLV... | 0 |
14,594 | 78,232 | LR | 78,231 | Q67FW5 | *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... | MSGAGVGGASEESQAMQAHVSIILPVHNAEPWLDECLRSVLQQDFEGTMELSVFNDASKDKSGAIIEKWRVKLEDSGVHVIIGGHDSPSPRGVGYAKNQAVAQSSGSYLCFLDSDDVMMPQRVRLQHEAAVQHPSSIIGCRVRRDPPNSTERYTRWINQLTPEQLLTQVFTSNGPTVIMPTWFCSRAWFSHVGPFNEGGQGVPEDLLFFYEHLRKGGGVIRVDQSLLLYRHHPQAATHCVLETTIWTHRVRFLEEQALPRWAAFTIWNAGKQGRRLYRSLTAGSQRKVVAFCDVDENKIRKGFYCHEDSQERPKPRIPIL... | 1 |
14,595 | 22,480 | UN | 22,480 | P48644 | [O-][N+]1=CC=C(NO)C2=C1C=CC=C2.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](O)[C@@H]3O)[C@@H](O)[C@H]2O)=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](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>O=[N+]([O-])C1=CC=[N... | 1.7.1.9 | 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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.[O-][n+]1ccc(NO)c2ccccc21>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3... | MSSSAMPDVPAPLTNLQFKYTKIFINNEWHSSVSGKKFPVFNPATEEKLCEVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLNKLADLIERDHLLLATMEAMNGGKLFSNAYLMDLGGCIKTLRYCAGWADKIQGRTIPMDGNFFTYTRSEPVGVCGQIIPWNFPLLMFLWKIGPALSCGNTVVVKPAEQTPLTALHMGSLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDVDKVAFTGSTEVGKLIKEAAGKSNLKRVSLELGGKSPCIVFADADLDNAVEFAHQGVFYHQGQCCIAASRLFVEESIYDEFV... | 0 |
14,596 | 13,961 | UN | 13,961 | O22436 | 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)... | MASLLGTSSSAAAAILASTPLSSRSCKPAVFSLFPSSGQSQGRKFYGGIRVPVKKGRSQFHVAISNVATEINLLKNRVRNLLEESQRPVYPFAAIVGQDEMKLCLLLNVIDPKIGGVMIMGDRGTGKSTTVRSLVDLLPEIKVISGDPFNSDPDDQEVMSAEVRDKLRSGQQLPISRTKINMVDLPLGATEDRVCGTIDIEKALTEGVKAFEPGLLAKANRGILYVDEVNLLDDHLVDVLLDSAASGWNTVEREGISISHPARFILIGSGNPEEGELRPQLLDRFGMHAQVGTVRDAELRVKIVEERARFDKNPKEFRES... | 1 |
14,597 | 79,655 | UN | 79,655 | B3EY95 | CC(=O)CC(=O)CC(=O)[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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=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](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(=O)CC(=O)[O-] | 2.3.1.319 | CC(=O)CC(=O)CC(=O)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>>CC(=O)CC(=O)O.CC(=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 | MTERIRNVALRSKVCPAETASELIKHGDVVGTSGFTGAGYPKEVPKALAQRMEAAHDRGEKYQISLITGASTGPQLDGELAKANGVYFRSPFNTDATMRNRINAGETEYFDNHLGQVAGRAVQGNYGKFNIALVEATAITEDGGIVPTSSVGNSQTFLNLAEKVIIEVNEWQNPMLEGIHDIWDGNVSGVPTRDIVPIVRADQRVGGPVLRVNPDKIAAIVRTNDRDRNAPFAAPDETAKAIAGYLLDFFGHEVKQNRLPPSLLPLQSGVGNVANAVLEGLKEGPFENLVGYSEVIQDGMLAMLDSGRMRIASASSFSLS... | 0 |
14,598 | 76,435 | UN | 76,435 | C0SJS4 | CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@@H](C(C)(C)O)O2.*.*>>CCCC[C@@H]1OC(=O)C2=C1C=CC1=C2O[C@H](C(C)(C)O)C1.[H]*[H].[H]*[H] | null | CCCC[C@H](O)c1ccc2c(c1CO)O[C@H](C(C)(C)O)C2>>CCCC[C@@H]1OC(=O)c2c1ccc1c2O[C@H](C(C)(C)O)C1 | YFFSLFLVTVFVYKLLTLKKTPSKNLPPSPPRYPIIGNLHQIGPDPQHSLRDLALKYGPLMSLKFGTVPVLVVSSADAAREVLKTHDLIFADRPYSSVANKVFYNGKDMVFARYTEYWRQVKSICVTQLLSNKRVNSFQNVREEEVDLLVQNIENSCSKVINLTELLIEVTGNVVCKVSVGSGDKVDSYKILILEIMEMLGYSRSIEDFFPMFGWVDWLTGLRGKVAKAAKGVDDFLEGVLKEHLTARASNNASADNDFVSILLEIQEADAGSTMDNECIKSLIWDMLGAGTETISTALEWTLAALIKNPDAMLKLQNEV... | 0 |
14,599 | 65,772 | UN | 65,772 | Q4G0S4 | CC(C)C1=CC=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MQTSAMALLARILRAGLRPAPERGGLLGGGAPRRPQPAGARLPAGARAEDKGAGRPGSPPGGGRAEGPRSLAAMPGPRTLANLAEFFCRDGFSRIHEIQQKHTREYGKIFKSHFGPQFVVSIADRDMVAQVLRAEGAAPQRANMESWREYRDLRGRATGLISAEGEQWLKMRSVLRQRILKPKDVAIYSGEVNQVIADLIKRIYLLRSQAEDGETVTNVNDLFFKYSMEGVATILYESRLGCLENSIPQLTVEYIEALELMFSMFKTSMYAGAIPRWLRPFIPKPWREFCRSWDGLFKFSQIHVDNKLRDIQYQMDRGRR... | 0 |
14,600 | 80,875 | UN | 80,875 | D6WMZ8 | 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 | MKFPKNLFLVLFYTSWKFCDVCAYTPSHPLVYTKYGSVIGSVEYSRNSRAYMSFKGIPFAKPPVGDLRFKAPEPPEPWNFSINGTKDAPFCIQKNYFFSNPKVEGSEDCLYLNVYVPKTEGSQLLPVMVFIHWGGFFAGRGSSDYIGPEYIMDKDVILVTFNYRLGVFGFLSTLDDNAPGNFGLKDQVMALKFVHENIECFGGDNNRVTIFGQSAGSGSVNLHLISPASRGLFQQAISQSGAALDLWARPLNALQPNVTAALAAFTGCSAHIGSSKDIVDCLRKIEATKLAETADNFKYFSIEPLTPYSMVTEKQTDANP... | 0 |
14,601 | 74,843 | UN | 74,843 | P52837 | [1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@]([H])([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)NC([2*])=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OS(=... | null | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OS(=O)(=O)O)[C@@H](OP(=O)(O)O)[C@H]1O.[1*][C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@H](O)[C@H](O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O5)[C@H]4O)[C@H]3NC(C)=O)[C@H](O)[C@H]2O)[C@H](O... | METTKTQFESMAEMIKKLPQHTCSSLKGRITLYKYQDFWGLQNNIEGAILAQQSFKARPDDVFLCSYPKSGTTWLKALAYAIVTREKFDEFTSPLLTNIPHNCIPYIEKDLKKIVENQNNSCFTPMATHMPYHVLPKSILALNCKMVYIYRNIKDVIVSFYHFGREITKLPLEDAPFEEAFDEFYHGISQFGPYWDHLLGYWKASLERPEVILFLKYEDVKKDPTSNVKRLAEFIGYPFTFEEEKEGVIESIIKLCSFENLSNLEVNKSGNSKGFLPIENRLYFRKAKDGDWKNYFTDEMTEKIDKLIDEKLSATGLVLK | 0 |
14,602 | 79,295 | UN | 79,295 | D3E0R7 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(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>>[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-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)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>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MKLMMYSIKMRSAKGGPHEEGGKHISGAERILREDEIEEELINVYRRAITHEKGKPDFINLKIEAIDEDKILYKKRLNIIQHKVSSKEEGLKLAKELLIKNTVSEEAAKEGISSIQKLKESIHGAMLLDKDSGKRIDDKGIKGVRVTGIASADIKKYKESLKRDGREGLHLEEALILASKIASCKAIVAELCWSDDPSYVIGYVGTKENYHRIPILKDKGNPVGGRVFFVDTSQLNDNYTLEDLIDYLEKQIVLIE | 0 |
14,603 | 56,372 | UN | 56,372 | Q9MZY0 | 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 | MAALGITVALLVWMATLMLISIWKQIYSRWKLPPGPFPLPIIGNILQVDIKNVPKSLAKLAEQYGPVFTLYLGSQRTVVLHGYKAVKEVLLDHKNDLSGRGEVFAFQSHKDRGITFNNGPGWKDTRRLSLSTLRDYGMGKRGNEERIQREIPFLLEALRGTRGQPFDPTFLLGFAPFNVIADILFHKHFDYSDQTGLRIQKLFNENFHLLSTGWLQLYNIFPSYLHYLPGSHRKVLRNVAELKDYSLERVKEHQESLDPTCSRDFTDCLLQELQKERYGTEPWYTLDNIAVTVADLFFAGTETTSTTLRYGLLILMKYPE... | 0 |
14,604 | 81,320 | LR | 81,319 | Q8BG07 | *[C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])OC[C@H]2O[C@@H](N3/C=N\C4=C3N=C(N)NC4=O)[C@@H]3OP(=O)([O-])O[C@@H]32)[C@H]1O.[H]O[H]>>[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)([O-])[O-])[C@H]1O.NC1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@H]3OP(=O)([O-])O[C@H]32)C(=O)N1.[H+] | null | *[C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@@H]3OP(=O)(O)O[C@@H]32)[C@H]1O.O>>Nc1nc2c(ncn2[C@@H]2O[C@H](CO)[C@H]3OP(=O)(O)O[C@H]32)c(=O)[nH]1.[1*][C@@H]1O[C@H](CO)[C@@H](OP(=O)(O)O)[C@H]1O | MDKKKEHPEMRIPLQTAVEVSDWPCSTSHDPHSGLGMVLGMLAVLGLSSVTLILFLWQGATSFTSHRMFPEEVPSWSWETLKGDAEQQNNSCQLILVESIPEDLPFAAGSPTAQPLAQAWLQLLDTARESVHIASYYWSLTGLDIGVNDSSSRQGEALLQKFQQLLLRNISVVVATHSPTLAKTSTDLQVLAAHGAQIRQVPMKQLTGGVLHSKFWVVDGRHIYVGSANMDWRSLTQVKELGAIIYNCSNLAQDLEKTFQTYWVLGTPQAVLPKTWPRNFSSHINRFHPLRGPFDGVPTTAYFSASPPSLCPHGRTRDLD... | 1 |
14,605 | 56,476 | UN | 56,476 | A0A455R7M0 | *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(=... | MSAIPKKCTVLVIGGGPGGSYAASALAREGIDTVVLEGDKFPRYHIGESMLASMRHLLKFVELDGKFDSYGFVKKPGAAFKLNKNKREGYTDFLAAGGPNNYAWNVVRSEADNLMFQHAGESGAKIFDGVSVKSIQFENPTEVPDGEPNLNPGKPVSATYQIKETKEQGQIDFDYVVDASGRIGILSTKYMKNRRYNQGLKNIANWGYWEGCNKYAPGTPRENSPFFEALQDESGWAWFIPLHNGTVSVGVVMNQKLATQKKQEADLDSTEFYHDTLNKISPNLRELIGDGKFVSNVKTASDYSYSASSYSFPYARIVGD... | 0 |
14,606 | 49,512 | UN | 49,512 | P0CM02 | O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | null | O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MVAIPRLARLSVPAWALSARGRFYATVSTPQTLVEKIVQKYAVGLSEGVKVRAGDYVMIKPEHVMTHDNTGPVISKFLSLSCSKLDNPRQPVFALDHDVQNQSETNQKKYKKIQAFAKEHGVDFYPAGRGIGHQIIVEEGYAWPGKMVVASDSHSNHYGGVGCLGTAIVRTDAAGIWATGKFWWQIPRIVSVSLDGRLSPGVTGKDVIVALAGLFNKDEVLNAAIEFTGSGVEHLSIDERLTIANMTTEWGAVAGVFPVDDKLKEWYQGILRKAELRKFISPTVPSTVGAKVHPRLNAARLDDAMTNRVVADPGAHYAAR... | 0 |
14,607 | 80,291 | UN | 80,291 | A0A0S2IHL2 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H]4C[C@H]([C@@H]5OC5(C)C)OC4O)CC[C@]3(C)C1=CC[C@@]1([H])C(C)(C)[C@@H](O)CC[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@](C)(CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]13O[C@@H]3C[C@@]1([H])C(C)(C)[C@@H](O)CC... | null | CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]23C)C(O)O1.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)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)[C@@]45O[C@@H]4C[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]5CC[C@@]23C)C(O)O1.Cc1cc2nc3c(=O)[nH... | MDGVVVTYTKIAAAVAVAVVVVGWAWKVLNWVWVSPRKLEESLRKQGFRGNSYRLFYGDLKESSEMTRKAKLKPINLSDDPVLRVRPFIHQTVKKYGKSSFIWIGPTPRVQIMDPEIIKEIMVKSYKFNKPKRNPLVKLFADGLANHEGELWAKHRKLLNPAFHLERLKCMLPAMYFSCIEMVSKWDKMISKDGSRELDVWPFLQRLTSDVISHTAFGSSYEEGNIVFELQTEQAELVMKTLQSVYIPGWSYLPTKRNRKMKEIDRKTQSCLMNIINKKTKAMQAGEGSTDDILGILLESNLKEQLGQGKKNVGMSIQEV... | 0 |
14,608 | 81,407 | UN | 81,407 | Q5N5F7 | 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 | MIVLADHHDRQFRYLRLSLTDVCNFRCGYCLPKGQQLDPQRPALLTLPEIRHLIEGFVALGIEKVRLTGGEPTLRSDLVDIVRAVAAVPGIRRVALTSNGWNLRDRLADLQAAGLTQLNLSLDSLDAARFQAITGSSRFEAVMAALEQAIALRLPILKVNAVLLKTLNYPQLSDFVEFVRDRPISIRFIELMQTLDNHDYFQQEFLSGSVLTEQWLAQGWQPIKRDRTAGPAQEYCHPNYQGKLGIIAPYSPNFCQNCNRLRVTSRGALRLCLFGTGEFDLRPWLQHPDQRSQLLEQVQQTLNFKTAGHQLAEANSGDTR... | 0 |
14,609 | 49,412 | UN | 49,412 | O88819 | 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... | MTSTSKGILRPFLIVCIILGCFMACLLIYIKPTNSWVFSPMESASSVLKMKNFFSTKTDYFNETTILVWVWPFGQTFDLTSCQAMFNIQGCHLTTDRSLYNKSHAVLIHHRDISWDLTNLPQQARPPFQKWIWMNLESPTHTPQKSGIEHLFNLTLTYRRDSDIQVPYGFLTVSTNPFVFEVPSKEKLVCWVVSNWNPEHARVKYYNELSKSIEIHTYGQAFGEYVNDKNLIPTISTCKFYLSFENSIHKDYITEKLYNAFLAGSVPVVLGPSRENYENYIPADSFIHVEDFNSPSELAKYLKEVDKNNKLYLSYFNWRK... | 0 |
14,610 | 80,643 | UN | 80,643 | A4JK94 | *CS(=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.[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[SH]4[Fe... | 1.97.1.13 | *CS(=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>>O=S(O)O.[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.[SH]12[Fe]3[SH]... | MSRNELDERIETYYVRVRGVVQGVGFRHATVREAHALKLRGWVANLEDGSVEAMIQGPGAQIDRMLAWLRHGPPAARVTEVTFEERHVERRFERFQQQ | 0 |
14,611 | 78,719 | UN | 78,719 | B7NNF3 | 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 |
14,612 | 75,003 | UN | 75,003 | Q9BEA2 | 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)... | MQRLMKFRVLWGIHMSCPGFHHAPQHLRCRSLSGAGTLRWNDYDRPEEFNFASDVLDHWTQMEKEGKRSPNPALWWVNDQGDEVKWSFREMTDLTCRTANVLTQTCGLQTGDRLALILPRVPEWWLVCVGCIRTGIIFMPGTTQMKAKDILYRLQVSGAKAIVTTDTLAPEVESVAPECPSLKTKLLVSDHSREGWLDFRSLVKSASPDHICIKSKTLDPMAIFFTSGTTGFPKMAKHSHGFALRSYFPACRKLLQLKMSDVFWCLSDTGWILAALGSLLEPWTAGSTVFAHHLPQFDPKVIIETFFKYPITQCLAAPSV... | 0 |
14,613 | 82,567 | UN | 82,567 | P47713 | 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 | MSFIDPYQHIIVEHQYSHKFTVVVLRATKVTKGTFGDMLDTPDPYVELFISTTPDSRKRTRHFNNDINPVWNETFEFILDPNQENVLEITLMDANYVMDETLGTATFPVSSMKVGEKKEVPFIFNQVTEMILEMSLEVCSCPDLRFSMALCDQEKTFRQQRKENIKENMKKLLGPKKSEGLYSTRDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYIAGLSGSTWYMSTLYSHPDFPEKGPEEINEELMKNVSHNPLLLLTPQKVKRYVESLWKKKSSGQPVTFTDIFGMLIGETLIQNRMSMTLSSLKEKVN... | 0 |
14,614 | 78,415 | UN | 78,415 | Q0AXB7 | COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>O=C([O-])NC1=NC2=CC=CC=C2N1.CO.[H+] | null | COC(=O)Nc1nc2ccccc2[nH]1.O>>CO.O=C(O)Nc1nc2ccccc2[nH]1 | MRLRRIKTLIVDDSLLFRETLARGISRDPAIEVVATAVDAFMARDMIIKYKPDVMTLDVEMPRMSGIEFLRRLMPQYPLPVVMISALSESVFDALNAGAIDFVAKPDMNRNRDLDSFFSELILKIKIASVARLGRRAEVSKLLPTGKSQADQGWVIAIGASTGGPEAIYQIVKNFNQDTPGTVIVQHMPAGFTRMYAERLNDTCVVEVKEAQNNDQVKMGQVLIAPGEYQMRLKQKAGNYMVECHPGEKVNGHCPAVDVLFDSVAQSAGARAVGIILTGMGSDGARGLLAMRKAGARTIGQDEASCVVYGMPKVAYELGA... | 0 |
14,615 | 51,008 | UN | 51,008 | Q5HJK5 | [Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+] | 1.1.2.7 | CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2] | MIDKNQTCGVGQDSVPYMICLIHILEEWFGVEQLEDYLNFANYLLWVFTPLILLILPYFTIFLLYLTIIFLHIYKRKNVLKEAYSHNLWDGARKTVATLWDGHAAVWHGYEVHGMEKIPEDGPALIIFYHGAIPIDFYYFMAKIFIHKGRTCRVVADHFVFKIPGFSLLLDVFCALHGPREKCVEILRSGHLLAISPGGVREALISDETYNIVWGHRRGFAQVAIDAKVPIIPMFTQNIREGFRSLGGTRLFRWLYEKFRYPFAPMYGGFPVKLRTYLGDPIPYDPQITAEELAEKTKNAVQALIDKHQRIPGNIMSALL... | 0 |
14,616 | 33,087 | UN | 33,087 | A3KMX8 | 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 | MAGPPASLSARDVGSFAYLSVKDRSPQILTKAIDTLHRHKSEFFEKHGEKGLEAEKKAISLLSKLRNELQTDKPIVPLVEKFVDTDIWNQYLEYQQSLLNESDGKPRWFLSPWLFVECYMYRRIHEAIIQSPPIDDFDIFKEFKDQNFFESQESIIALCTHLQELRKTIEDLDENQLKNEFFKVLQISLWGNKCDLSLSGGEHISQKTNIMNSLEDLKPFILVNDMDRLWSLLSNCKKTREKESVTRVDIVLDNSGFELITDLVLADFLLSSKLATKIHFYGKTIPWFVSDTTLHDFNWIIKQLKHSNNKWVSQCGVDWE... | 0 |
14,617 | 79,535 | UN | 79,535 | B7MR55 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)C=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(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O... | null | 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.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1>>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... | MPHSYDYDAIVIGSGPGGEGAAMGLVKQGARVAVIERYQNVGGGCTHWGTIPSKALRHAVSRIIEFNQNPLYSDHSRLLRSSFADILNHADNVINQQTRMRQGFYERNHCEILQGNARFVDEHTLALDCPDGSVETLTAEKFVIACGSRPYHPTDVDFTHPRIYDSNSILSMHHEPRHVLIYGAGVIGCEYASIFRGMDVKVDLINTRDRLLAFLDQEMSDSLSYHFWNSGVVIRHNEEYEKIEGCDDGVIMHLKSGKKLKADCLLYANGRTGNTDSLALQNIGLETDSRGQLKVNSMYQTAQPHVYAVGDVIGYPSLAS... | 0 |
14,618 | 70,775 | UN | 70,775 | P11715 | O=S(=O)([O-])C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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-].O=S([O-])[O-].[H]O[H].[H+].[H+] | 1.14.14.181 | 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.O=S(=O)(O)C[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>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[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.O=S(O)O | MWELVGLLLLILAYFFWVKSKTPGAKLPRSLPSLPLVGSLPFLPRRGHMHVNFFKLQEKYGPIYSLRLGTTTTVIIGHYQLAREVLIKKGKEFSGRPQMVTQSLLSDQGKGVAFADAGSSWHLHRKLVFSTFSLFKDGQKLEKLICQEAKSLCDMMLAHDKESIDLSTPIFMSVTNIICAICFNISYEKNDPKLTAIKTFTEGIVDATGDRNLVDIFPWLTIFPNKGLEVIKGYAKVRNEVLTGIFEKCREKFDSQSISSLTDILIQAKMNSDNNNSCEGRDPDVFSDRHILATVGDIFGAGIETTTTVLKWILAFLVHN... | 0 |
14,619 | 79,315 | UN | 79,315 | Q9FXT4 | [H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C.[H]O[H]>>OC[C@@H]1OC(O)[C@H](O)[C@H]1O.[H][C@]... | null | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C.O>>CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)... | MARASSSSSPPSPRLLLLLLVAVAATLLPEAAALGNFTAESRGARWRSRRARRRAFENGLGRTPQMGWNSWNHFYCGINEQIIRETADALVNTGLAKLGYQYVNIDDCWAEYSRDSQGNFVPNRQTFPSGIKALADYVHAKGLKLGIYSDAGSQTCSNKMPGSLDHEEQDVKTFASWGVDYLKYDNCNDAGRSVMERYTRMSNAMKTYGKNIFFSLCEWGKENPATWAGRMGNSWRTTGDIADNWGSMTSRADENDQWAAYAGPGGWNDPDMLEVGNGGMSEAEYRSHFSIWALAKAPLLIGCDVRSMSQQTKNILSNSE... | 0 |
14,620 | 15,681 | UN | 15,681 | Q6LZ92 | [H]C(=O)/C(=C\C=C(/O)C(=O)[O-])CC(=O)[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>O=C([O-])C/C(=C\C=C(/O)C(=O)[O-])C(=O)[O-].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](O)[C... | 1.2.1.60 | 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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O=C/C(=C\C=C(/O)C(=O)O)CC(=O)O>>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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)C/C(=C\C=C(/O)C(=O)O)C(=O)O | MLKIGLVGCGAIASLITKALMSDRLNKAEVLAFYDGNLEKAEKLAMETGADFCKSLDELVSKDLDLIVECASVNAVEDTVIKSLNNDKDVIIMSVGAFADKDLFVKLYKLAEKLGKKIYVPSGAVAGIDAVKSGSLGKISEVSLTTTKPVHGLKSALEEQGLNTDEIKEPKIVFEGTVFDAISKFPQNINVSVVLSLASRYPAKVKIIADPNAVVNRHEILVKGSIGTIKTCVENNPCRDNPKTSALAAYSVIRLIKDLSEPVRIGT | 0 |
14,621 | 81,167 | UN | 81,167 | C7Q942 | CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)[O-].O=C=O | null | CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)O.O=C=O | MHRLALTAQDNLAVAPMLADLAGRYPDIEDPELIRSAPVLAAKGLPPHLLAFLDDFRLREPSALCVISGLDVDQDRLGPTPEHWRDSQIGSRSLNLEIFFLLCGAALGDVFGWATQQDGRIMHDVLPIKGHEHYELGSNSLQHLSWHTEDSFHPCRGDYVALMCLKNPYEAETMVCDAGDLDWPNLDVDALFEPVFTQMPDNSHLPQNTAESTGDPTKDRLRARSFELIKSWNENPVRRAVLYGDRQNPYMALDPYHMKMDDWSERSLEAFQALCEEIEAKMQDVVLHPGDIAFIDNFRAVHGRRSFRARYDGSDRWLKR... | 0 |
14,622 | 80,255 | UN | 80,255 | Q76BS7 | 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.... | MHRNNERINLEKSNDWANTNEPSIACFLNSLARESQSVQLLWGEDGKRVYRLPLANSDSINIPLSYFSSLGSHEYCLPALLHTQDSIKTLSVEQLIEHIVNEPALVGIVSEAKKAIFTKRVLESHRNTEQAIEHSPYQEQLFTEQLDFKTAEQGLLIGHSFHPAPKSREQFSLSDAKLYSPELGGQFKLFWLSVEQSLLTSGSSADIHFNQRFEALVAHDPKLVEALQNAQQQGHELLPVHPWQWHVMVENPSIKGYIATKQIQNLGQLGATWYPTSSTRSLYAPGLPYMLKFSLSVKLTNSIRNLSLKECDSWNDLNDL... | 0 |
14,623 | 80,651 | UN | 80,651 | P63493 | [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 | MDPTDLAFAGAAAQARMLADGALTAPMLLEVYLQRIERLDSHLRAYRVVQFDRARAEAEAAQQRLDAGERLPLLGVPIAIKDDVDIAGEVTTYGSAGHGPAATSDAEVVRRLRAAGAVIIGKTNVPELMIMPFTESLAFGATRNPWCLNRTPGGSSGGSAAAVAAGLAPVALGSDGGGSIRIPCTWCGLFGLKPQRDRISLEPHDGAWQGLSVNGPIARSVMDAALLLDATTTVPGPEGEFVAAAARQPGRLRIALSTRVPTPLPVRCGKQELAAVHQAGALLRDLGHDVVVRDPDYPASTYANYLPRFFRGISDDADAQ... | 0 |
14,624 | 69,536 | UN | 69,536 | O31714 | O=P([O-])([O-])OC[C@]1(O)OC[C@@H](O)[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]1OC(O)(COP(=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+] | 2.7.1.234 | 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)OC[C@]1(O)OC[C@@H](O)[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]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@H]1O | MIYTVTLNPSVDYIVHVEDFTVGGLNRSSYDTKYPGGKGINVSRLLKRHHVASKALGFVGGFTGEYIKTFLREENLETAFSEVKGDTRINVKLKTGDETEINGQGPTISDEDFKAFLEQFQSLQEGDIVVLAGSIPSSLPHDTYEKIAEACKQQNARVVLDISGEALLKATEMKPFLMKPNHHELGEMFGTAITSVEEAVPYGKKLVEQGAEHVIVSMAGDGALLFTNEAVYFANVPKGKLVNSVGAGDSVVAGFLAGISKQLPLEEAFRLGVTSGSATAFSEELGTEEFVQQLLPEVKVTRL | 0 |
14,625 | 81,087 | UN | 81,087 | O24312 | 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 | MDLLLLEKTLLGSFVAILVAILVSKLRGKRFKLPPGPLPVPVFGNWLQVGDDLNHRNLTDLAKKFGDILLLRMGQRNLVVVSSPELSKEVLHTQGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVQQYRYGWEEEAAQVVEDVKKNPGAATHGIVLRRRLQLMMYNNMYRIMFDRRFESEEDPLFNKLKALNGERSRLAQSFDYNYGDFIPILRPFLRGYLKICQEVKERRLQLFKDYFVDERKKLASTKNMCNEGLKCAIDHILDAQKKGEINEDNVLYIVENINVAAIETTLWSIEWGIA... | 0 |
14,626 | 33,087 | UN | 33,087 | Q9XAP2 | 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 | MTEKADLQPILDRAAAGGRITPEEALDLYRDAPLHALGAAADAVRRRRYAGTEHIATYIIERNINYTNVCVTACKFCAFYAAPKDTKKGWSRDLDDILRRCAETVELGGTQIMFQGGHHPDYGVEYYEEHFAAIKKEFPQLVIHSLGASEVEHMARISKVSVEEAIRRIHAAGLDSFAGAGAELLPERPRKAIAPLKESGERWLEIMEIAHGLGVESTSTMLMGTGETNAERIEHLRMIRDVQDRTGGFRAFIPYTYQPENNHLKGRTQATLFEYLRMIAIARVFLDNVAHIQGSWLTTGKEVGQLSLHYGADDLGSIML... | 0 |
14,627 | 69,336 | UN | 69,336 | Q9EQZ5 | */C=C/SO>>*C/C=[S+]\[O-] | 5.3.99.12 | */C=C/SO>>*C/C=[S+]\[O-] | MVKAKSWTLKKHFQGKPTQSDFELKTVELPPLKNGEVLLEALFLSVDPYMRIASKRLKEGAVMMGQQVARVVESKNSAFPAGSIVLAQSGWTTHFISDGKGLEKLLTEWPDKLPLSLALGTIGMPGLTAYFGLLEVCGVKGGETVLVSAAAGAVGSVVGQIAKLKGCKVVGAAGSDEKIAYLKQIGFDAAFNYKTVNSLEEALKKASPDGYDCYFDNVGGEFLNTVLSQMKDFGKIAICGAISVYNRMDQLPPGPSPESIIYKQLRIEGFIVYRWQGDVREKALRDLMKWVLEGKIQYHEHVTKGFENMPAAFIEMLNGA... | 0 |
14,628 | 75,263 | UN | 75,263 | K9L4P7 | 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 | MKSTIITSILFSVATVQAYSPAEQIDVQSHLLSDPTKVEGKTYDYVIAGGGLTGLTVASKLSENPKIKVLVIEKGFYESNDGPIIEDPNAYGEIFGTSVDQNYLTVPLINNRTGEIKSGLGLGGSTLINGDSWTRPDKVQIDSWEKVFGMEGWNWDNVFQYMQKAERSRPPTAAQIEAGHFYDPACHGTDGTVHAGPRDNGKPWSPLMRALMNTVSAFGVPVQKDFHCGHPRGVSMIPNNLHENQIRADAAREWLLPNYQRDNLQILTGQKVGKVLFNQTASGPKAVGVNFGTNKAVNFNVYAKQEVLLAAGSAISPLIL... | 0 |
14,629 | 79,531 | UN | 79,531 | Q5RJG7 | O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([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-])OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O | null | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O | MEPGPCSRPAEPGHCVSGPAGAGSAFPESPLSVAGAEPGNRPGTVAAVLPAGGCGERMGVRTPKQFCRVLERPLISYTLQAMERVCWIKDIVVTVTGENMEAMRSIIQRYGHKRISLAEAGATRHRSIFNGLKALAEDQPDCKLTKPEVVIIHDAVRPFVEEDILLRVVLAAKEHGAAGAIRPLVSTVISPSADGHLDHSLDRAKHRASEMPQAFLFDVIYEAYQQCSDFDLEFGTECLQLALKYCHRKAKLVEGPPALWKVTYKQDLCAAEAMIKEKISQEICVVMNTKDEESVGHLLEEALRKELNCMKITSTVMDHI... | 0 |
14,630 | 76,447 | UN | 76,447 | Q3JXS3 | [NH3+][C@@H](CC(=O)[O-])C(=O)[O-].CSCC[C@H]([NH3+])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>>CSCC[C@H](NC(=O)[C@@H]([NH3+])CC(=O)[O-])C(=O)[O-].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+] | null | CSCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>CSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O | MALETFVNSEPFTFGVELEIQIVNTHNYDLTKAASDLMRLIKDAKFPGNITPEITESMIELSTGICRTHDQALGELHAIRDTLVSAADQLNVGLCGGGTHAFQQWSERQIFDAPRFQYISELYGYLAKQFTVFGQHVHIGCPDADSALFLLHSMSRFIPHFIALSASSPYVQNVDTGFHSARLNSVFAFPLSGRAPFVLTWHGFEEYFTKMVNTGVVNSMKDFYWDIRPKPGYGTIEVRVMDTPLSVDRAAAIACYIQTLARYLLIDRPLKLSEDDYLVYTFNRFEACRFGLEGTCVNPQTGERRTIAEDILDTLDRIAP... | 0 |
14,631 | 76,107 | UN | 76,107 | A0A3G9GR23 | 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 | MTVTINKSSVPHKVDFATPLSDVICHIKEDGAVIVRGFMDVETIQKLQEEVDTAVEKGSFGPRYQEYNEEAGEIPKHEIYKRGEGKKTKHMKNLALTSETFRNDVLNHKWMHAVCEQIYGEEFGDYWMNCAHILHLEPGEKAQFFHRDTGVYRVSDFRRRLNDPEFMINFLVSLTEFREDNGATQLIPGSHKWDAAHPPTFYGSDEAVPAILEPGDAVVYLGSLFHGAGENRSLDYRRGMIVSMHPAHFTPMESHFHLPKEIVESMTPLAQQMVGWRTMNNQNKIPIWQAGDDKIEDVLRLQHKEVY | 0 |
14,632 | 77,079 | UN | 77,079 | P42588 | C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+] | null | CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3 | MNRLPSSASALACSAHALNLIEKRTLDHEEMKALNREVIEYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRKPFMPLLPGFRHVPFGNIEAMRTALNECKKTGDDVAAVILEPIQGEGGVILPPPGYLTAVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS... | 0 |
14,633 | 77,659 | UN | 77,659 | P9WPB2 | [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]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=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>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O.CO.NC1=NC=NC2=... | null | C/C=C/CCCCC[C@H]1C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@H](O)C(=O)CC/C=C/C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C/CCCCC[C@H]1C=C2C34OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@@H](C(=O)CC/C=C/C)O4.CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O... | MSVQLTPHFGNVQAHYDLSDDFFRLFLDPTQTYSCAYFERDDMTLQEAQIAKIDLALGKLNLEPGMTLLDIGCGWGATMRRAIEKYDVNVVGLTLSENQAGHVQKMFDQMDTPRSRRVLLEGWEKFDEPVDRIVSIGAFEHFGHQRYHHFFEVTHRTLPADGKMLLHTIVRPTFKEGREKGLTLTHELVHFTKFILAEIFPGGWLPSIPTVHEYAEKVGFRVTAVQSLQLHYARTLDMWATALEANKDQAIAIQSQTVYDRYMKYLTGCAKLFRQGYTDVDQFTLEK | 0 |
14,634 | 81,375 | UN | 81,375 | Q6CRT6 | *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 | MLLNKGLLASLLAYTTTAFDLQHIFYKEQYSCPISLPASCSNNTEIKDSCCFEFPGGIMLQTQFWDYIPPKGVSDPDELVRHLGPLDSFTNHGLWPDNCDGTYAQFCNRESNIDDVWHLLNDDQFNGRDDLPINGTDLLETMDMYWKSNTGDDESLWVHEYNKHGTCIRTLYPDCYKKWGVAGNSKKQAVYDYFRIAMKLFHDKDTYQTLKSAGIEPSVEKSYTKLEISNALKEGHSGEVVHFLCDRHGSLNQIWYFHSLKGSLLGEKFVPISALPKGSNCPDDNIKWYPKGHVPSSYRPPNGNHPGTRGVVRIGNGKGF... | 0 |
14,635 | 21,372 | UN | 21,372 | A4VQH5 | CCOC(N)=O.[H]O[H].[H+]>>CCO.[H][N+]([H])([H])[H].O=C=O | 3.5.1.75 | CCOC(N)=O.O>>CCO.N.O=C=O | MNAVEQISGYGLSATDEPVQLPARPEPLAMKASETALIVVDMQNAYASRGGYLDLAGFDVSATQPVIAKIRQALNAARAAGMQVIFLQNGWDNGYVEAGGPGSPNWHKSNALKTMRKRPELAGTLLAKGGWDYALVDELAPQPGDILVPKPRYSGFFNSQLDSTLRARGIRNLVFTGIATNVCVESTLRDGFHLEYFGVVLADATHQAGPEFAQQAALYNIETFFGWVSSVDAFCQSFAAAPEVAVAS | 0 |
14,636 | 82,179 | UN | 82,179 | Q66PF5 | CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O)=CC(O)=C1C(=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>>CCCCCCCCCC1=CC(OC(=O)C2=C(CCCCCCCCC)C=C(O)C=C2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=CC(O)=C1C(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O... | null | CCCCCCCCCc1cc(OC(=O)c2c(O)cc(O)cc2CCCCCCCCC)cc(O)c1C(=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>>CCCCCCCCCc1cc(OC(=O)c2c(CCCCCCCCC)cc(O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O... | MAPVSNQVGGHVAVLAFPFSTHAAPLLNIVCRLAAAAPSTLFSFFNTKQSNSSILAGNTSVLRYSNVSVCEVADGVPEGYVFVGKPQEDIELFMKAAPDNFRRCLEASVAESGREVSCLVTDAFFWFGVHMADDMGGVPWVPFWTAGPASLSAHVHTDLIRSTTSGGCHDEKETITVIAGMSKVRPQDLPEGIIFGNLESLFSRMLHQMGQMPPLATAVFINSFEELDPVITNDLKSKFKRFLNVGPLDLLEPPASAATTTPQTAAEAVAGDGCLSWLDEQKVASVVYVSFGSVTRPSPEELMALAEALEASRVPFLWSL... | 0 |
14,637 | 12,885 | UN | 12,885 | A0R043 | *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... | MLLVTNDFPPRRGGIQSYLEAFVGELVRTHELTVYAPKWKGAEEYDEKAARSGYRVVRHPTTLMLPEPTVASRMKRLIGEHDIETVWFGAAAPLALLGPLARRAGARRIVASTHGHEVGWSMLPVARTALRRIGNDADVVTFVSRYTRSRFASAFGPSAALEHLPPGVDTDRFAPDPDARARMRERYGLGDRPVVVCLSRLVPRKGQDMLIRALPELRRRVPDTALAIVGGGPYLETLQRMASDLGVAEHVVFTRGIPAEELPAHHAMADVFAMPCRTRGAGLDVEGLGIVYLEASACGVPVVAGRSGGAPETVLDGKTG... | 0 |
14,638 | 59,232 | UN | 59,232 | D2B747 | 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 | MGTTTTHKFDRPLRLPPLPCPFPSEVNPYVEQVDKETLEWLIDSEMLDDAETVERYRQAKYGWLSARTYPYAEHHTLRLVSDWCVWLFAFDDAFCESDRRAAEIARALPQLYAVLEDLDVGSEVDDVFAKSLLEIKGRIAAYGDDEQLDRWRNVTKDYLFAQVWEAANREDEVVPSLEDYIFMRRRTGAMLTVFALIDVASGRSLSADEWRHPGMRAITESANDVVVWDNDLISYAKESNSGNSRNNLVNVLAEHRHYSRQEAMEEIGEMRNQAIADMVAVRPSLEALGSDAVLAYVRGLEFWISGSVDYSLTSSRYTDA... | 0 |
14,639 | 74,107 | UN | 74,107 | Q94FM7 | C[C@H]1CCCC2=CCC(C(C)(C)O)C[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>>C[C@H]1CCCC2=CC=CC[C@]21C.CC(C)=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 | C[C@H]1CCCC2=CCC(C(C)(C)O)C[C@]21C.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(C)=O.C[C@H]1CCCC2=CC=CC[C@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MQFFSLVSIFLFLSFLFLLRKWKNSNSQSKKLPPGPWKIPILGSMLHMIGGEPHHVLRDLAKKYGPLMHLQLGEISAVVVTSRDMAKEVLKTHDVVFASRPKIVAMDIICYNQSDIAFSPYGDHWRQMRKICVMELLNAKNVRSFSSIRRDEVVRLIDSIRSDSSSGELVNFTQRIIWFASSMTCRSAFGQVLKGQDIFAKKIREVIGLAEGFDVVDIFPTYKFLHVLSGMKRKLLNAHLKVDAIVEDVINEHKKNLAAGKSNGALGGEDLIDVLLRLMNDTSLQFPITNDNIKAVIVDMFAAGTETSSTTTVWAMAEMM... | 0 |
14,640 | 62,376 | UN | 62,376 | A8H415 | C[C@H](O)C(=O)CC(=O)C(=O)[O-].[H]O[H]>>C[C@H](O)C(=O)[O-].CC(=O)C(=O)[O-].[H+] | 3.7.1.26 | C[C@H](O)C(=O)CC(=O)C(=O)O.O>>CC(=O)C(=O)O.C[C@H](O)C(=O)O | MIYGSIVALVTPMNSDGTVDYKSLESLVEYHIAQGTDAIVAVGTTGESATLPAKEHIAVVEQTVKFAAGRIPIIGGNGANATAEAVELTKGLSNVGVAAMLGVTPYYNKPTPKGLIAHYTAVAASTDVPQILYNVPGRTAVDMRPETVAQLVGIKNIIGVKEATGDLSRVKELRNLCGDDFLLYSGDDATAREFLSLGGNGVISVANNIVPKQFKAMCDAALSGDVSAALSAEESIKELFSVLFCEANPIPVKWAVHRMGLISNGTIRLPLTELSTEFHGLLLEAMKNARIEVK | 0 |
14,641 | 75,723 | UN | 75,723 | O35678 | CCCCC/C=C\C/C=C\CCCCCCCC(=O)[O-].[H]O[H]>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-] | null | CCCCC/C=C\C/C=C\CCCCCCCC(=O)O.O>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)O | MPEASSPRRTPQNVPYQDLPHLVNADGQYLFCRYWKPSGTPKALIFVSHGAGEHCGRYDELAHMLKGLDMLVFAHDHVGHGQSEGERMVVSDFQVFVRDVLQHVDTIQKDYPDVPIFLLGHSMGGAISILVAAERPTYFSGMVLISPLVLANPESASTLKVLAAKLLNFVLPNMTLGRIDSSVLSRNKSEVDLYNSDPLVCRAGLKVCFGIQLLNAVARVERAMPRLTLPFLLLQGSADRLCDSKGAYLLMESSRSQDKTLKMYEGAYHVLHRELPEVTNSVLHEVNSWVSHRIAAAGAGCPP | 0 |
14,642 | 76,683 | UN | 76,683 | O67546 | 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)... | MKLHEHQAKEIFAKYGIPVPEGKVAFSLKEAKEVAEELGEFPLVVKAQIHCGGRGKAGGVKIVKDMDELEKAVESLLGKVLKTFQCPDGKPVNRVLIEKATNIDKEYYLAITLDRSKSKPVIMASAAGGMEIEEIVKENPEAIIIETIDPELGLMPYQARELAFKLNLPVKEFASIALKLYQIYSDLDASLVEINPLVLTKEGNLIALDAKLDIDDNALFRHKDLEEMEDETQLPQLEVEAKKYGLNYIKLNGNIGCMVNGAGLAMATMDIIKLAGGEPANFLDVGGGANVEQIANAFRILMADPDVKAVFINIFGGILR... | 0 |
14,643 | 79,299 | UN | 79,299 | C5BK10 | [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 | MNSVIVEDDPTLIHRFLFHAENKPDALAYCFLEDGEIDRQRVSFRDLREMSTVVARIFSSVCQTQEPVLLALPNDCRFIVGFLATQLESLIAIPVYPPEGKHKRARFTSIVHSSGARVLLTSSEYIKRCSNYFSTLADDGVTVIDIDSLLNGLLLPLPQGVSDVNGTLVPGEVSTKATGLQGAESSVESYNVESYIEPSAKPDDISFVQYTSGSTGEPKGVVITHANLIENQRMIQRSFCHDESTVFGSWLPFYHDMGLVGNILQPLYLGIPCYFMAPIAFIQKPFRWLALISKYRVTTSGGPDFGYALCAKRVKDAQIA... | 0 |
14,644 | 74,523 | UN | 74,523 | A5PK19 | [NH3+]CCCC[C@H]([NH3+])C(=O)[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.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>>C[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2... | null | C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCC[C@H](N)C(=O)O>>CN(C)CCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MNLLPKSSKEFGSVDYWEKFFQQRGKKAFEWYGTYLELCGVLHKYIKPREKVLVVGCGNSELSEQLYDVGYQDIVNIDISEVVIKQMKERNASRRPRMSFLKMDMTQMEFPDASFQVVLDKGTLDAVLTDEEEKTLQQVDRMLAEVGRVLQVGGRYLCISLAQAHVLKKAVGHFSREGWMVRVHQVASSQDQLLEAEPRFSLPVFAFIMTKFRPVTGSALQIFELCAQEQGKPVRLESAEQLAEAVRERQQYAWLCSQLYRKAGLGSVSLDLCNGDTGEPRYTLHVVDSPTVKPSRDNHFAIFIIPQGRETEWLFGMEEG... | 0 |
14,645 | 80,307 | UN | 80,307 | A0A0K0PVL3 | [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 | MKSELIFLPVPAFGHLVGMVEMAKLFISRHENLSVTVLISKFFIDTGIDNYNKSLLAKPTPRLTIINLPEIDPQKYLLKPRCAIFPSLIENQKTHVRDVMSRMTQSESTRIVGLLADILFVDIFDIADEFNVPTYVYSPAGTGFLGLAFHLQTLNDDKKQDVTEFRNSDTELLVPSFANPVPAEFSPSIFLEKDGRHDVLLSLYRRCREAKGIIVNTFEELEPYAINSLRMDSMIPPIYPVGPILNLNGEGQNSDEAAVILGWLDDQPPSSVVFLCFGSFGSFPENQVKEIAMGLERSGHRFLWSLRPCISEGETTLQLK... | 0 |
14,646 | 30,483 | UN | 30,483 | P05185 | CC[C@H](C)[C@H](NO)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>>CC[C@H](C)[C@@H](C(=O)[O-])N(O)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 | CC[C@H](C)[C@H](NO)C(=O)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>>CC[C@H](C)[C@@H](C(=O)O)N(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 | MWLLLAVFLLTLAYLFWPKTKHSGAKYPRSLPSLPLVGSLPFLPRRGQQHKNFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLALNAFALFKDGNLKLEKIINQEANVLCDFLATQHGEAIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLSKEVLLDIFPVLKIFPSKAMEKMKGCVQTRNELLNEILEKCQENFSSDSITNLLHILIQAKVNADNNNAGPDQDSKLLSNRHMLATIGDIFGAGVETTTSVIKWIVAYLLH... | 0 |
14,647 | 82,567 | UN | 82,567 | Q4R766 | 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 | MRKRTEPVALEHERCAAAGSSSSGSAAAALDADCRLKQNLRLTGTGAAEPRCAADAGMKRALGRRKGLWLRLRKILFCVLGLYIAIPFLIKLCPGIQAKLIFLNFVRVPYFIDLKKPQDQGLNHTCNYYLQPEEDVTIGVWHTVPAVWWKNAQGKDQMWYEDALASSHAIILYLHGNAGTRGGDHRVELYKVLSSLGYHVVTFDYRGWGDSVGTPSERGMTYDALHVFDWIKARSGDNPVYIWGHSLGTGVATNLVRRLCERETPPDALILESPFTNIREEAKSHPFSVIYRYFPGFDWFFLDPITSSGIKFANDENVKH... | 0 |
14,648 | 79,571 | UN | 79,571 | Q9ZLW5 | NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].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+]>>NC(=O)NCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([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 | null | N=C(N)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O>>N.NC(=O)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | MVVRTQNSESKIKEFFEFCKENEVEFVDFRFSDIKGTWNHIAYSFGALTHDMFKEGIPFDASSFKGWQGIEHSDMILTPDLVRYFIDPFSADVSAVVFCDVYDVYKNQPYEKCPRSIAKKALKHLRDLGLGDVAYFGAENEFFIFDSIKIKDASNSQYYEVDSEEGEWNRDKSFENGVNFGHRPGKQGGYMPVPPTDTMMDIRTEIVKVLNQVGLETFVVHHEVAQAQGEVGVKFGDLVEAADNVQKLKYVVKMVAHLNGKTATFMPKPLYGDNGSGMHTHVSIWKNNENLFGGETYKGLSEFALYFLGGVLRHARGLAA... | 0 |
14,649 | 78,975 | UN | 78,975 | Q03426 | 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 | MLSEVLLVSAPGKVILHGEHAVVHGKVALAVSLNLRTFLRLQPHSNGKVDLSLPNIGIKRAWDVARLQSLDTSFLEQGDVTTPTSEQVEKLKEVAGLPDDCAVTERLAVLAFLYLYLSICRKQRALPSLDIVVWSELPPGAGLGSSAAYSVCLAAALLTVCEEIPNPLKDGDCVNRWTKEDLELINKWAFQGERMIHGNPSGVDNAVSTWGGALRYHQGKISSLKRSPALQILLTNTKVPRNTRALVAGVRNRLLKFPEIVAPLLTSIDAISLECERVLGEMGEAPAPEQYLVLEELIDMNQHHLNALGVGHASLDQLCQ... | 0 |
14,650 | 69,611 | UN | 69,611 | Q4J9D4 | 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 | MNYALLSNGITTALEKEGSIEWFPVPKFDSPSVFTKILDEDKGGYFLITPEKFNKVKQQYVEYSLILRTEFDDGNLILIDFLPLSLPAIIRLYEAKVPFNVEVKPLFNYGLVNAGTETRKDGIIYKNPESKEGLELLINGDYKIISPYRITVNSGKGYLYLLYSRDLRYGLFSQKGFVYSEPYEAYSKLLYYSRKELERARKPSIYENAFYRSLSVILGLIYKPSGGIIASPTTSIPEIVGDERNWDYRYVWVRDSSYAIEALVKANLLTHARRALDFLTNLLDPSSKSFDHPFYSVDGTPPPAEENLDWLSGFMNSKPV... | 0 |
14,651 | 78,775 | UN | 78,775 | A0A3Q7GYG2 | 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>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2 | null | O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)cc4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12 | MANKKNNMYANELIEAEALSWDYILTYLRPPCIRCAIQLGIPDILHKSAHPIMSLSDLIAALPNVNPSKTTFIPILMRVLVDLGLFNYHPQQGDGYSLTSVGRLFVESDPSNKRSIFTFLIQFEIVDSMSDWLRNDLPTAFETAHGKSIWDYCSGESEYSGVFNDAMASDSKLISNLLISDCCSGVFEGLTSLVDVGGGTGTVAMAIAGAFPSLKCTVLDLPHAIGDRKGTQNLEFVAGNMFDKIPHANAILLKWILHDWNDEDCVKILKKCKESIPSKENGGKVIIIDIVMEDNCSNNEQLVQSQHLMDLLVRITYDSK... | 0 |
14,652 | 13,961 | UN | 13,961 | P28372 | 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)... | MTVAQQAPSALNFDCETGNYHTFCPISCVSWLYQKIEDSFFLVIGTKTCGYFLQNAMGVMIFAEPRYAMAELEEGDISAQLKDYEELKRLCLQIKRDRNPSVIVWIGTCTTEIIKMDLEGLAPQLEAEIGIPIVTARANGLDYAFTQGEDTVLASMAHKCPTSAQVQGEDKEERNAIQKLLTFGRKADQEKVESEYVDHQPLVLFGSLPDPVVTNLTLELKKQGVKVSGWLPAKRYTELPVIDEGYYVAGVNPFLSRTATTLMRRRKCKLIGAPFPIGPDGTRAWIEKICSVLGIEPQGLEEREAQIWASLEDYIQLIRG... | 0 |
14,653 | 81,995 | UN | 81,995 | Q5XF20 | CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C=C2O)=C1.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>>CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)=C1.O=C1C=CN... | null | CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(O)cc(O)cc2C/C=C/C=C/CCCC)cc(O)c1C(=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>>CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(C/C=C/C=C/CCCC)cc(O)c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP... | MGSISEMVFETCPSPNPIHVMLVSFQGQGHVNPLLRLGKLIASKGLLVTFVTTELWGKKMRQANKIVDGELKPVGSGSIRFEFFDEEWAEDDDRRADFSLYIAHLESVGIREVSKLVRRYEEANEPVSCLINNPFIPWVCHVAEEFNIPCAVLWVQSCACFSAYYHYQDGSVSFPTETEPELDVKLPCVPVLKNDEIPSFLHPSSRFTGFRQAILGQFKNLSKSFCVLIDSFDSLEQEVIDYMSSLCPVKTVGPLFKVARTVTSDVSGDICKSTDKCLEWLDSRPKSSVVYISFGTVAYLKQEQIEEIAHGVLKSGLSFL... | 0 |
14,655 | 75,727 | UN | 75,727 | P35355 | CCCCC/C=C\C=C\CCCCCCCCC(=O)[O-].[H]O[H]>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-] | null | CCCCC/C=C\C=C\CCCCCCCCC(=O)O.O>>CCCCC/C=C\C[C@@H](O)CCCCCCCCC(=O)O | MLFRAVLLCAALALSHAANPCCSNPCQNRGECMSIGFDQYKCDCTRTGFYGENCTTPEFLTRIKLLLKPTPNTVHYILTHFKGVWNIVNNIPFLRNSIMRYVLTSRSHLIDSPPTYNVHYGYKSWEAFSNLSYYTRALPPVADDCPTPMGVKGNKELPDSKEVLEKVLLRREFIPDPQGTNMMFAFFAQHFTHQFFKTDQKRGPGFTRGLGHGVDLNHVYGETLDRQHKLRLFQDGKLKYQVIGGEVYPPTVKDTQVDMIYPPHVPEHLRFAVGQEVFGLVPGLMMYATIWLREHNRVCDILKQEHPEWDDERLFQTSRL... | 0 |
14,656 | 59,232 | UN | 59,232 | A0A0B4GN88 | 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 | MEKQRLKAQLSSLRVPLFSVPWPGQCSNKAEVIEARMMKWADEHNLLVTDEYRNRVIRTRYGLLAARCYPNAGEVLLQAIADYLVWFFLADDLFVDRVEVATDETIRNLTAMVDVLDLNVAGSPPVFGELAWLDVCQRLRRLLQAETFERFAQGMRLWATTAALQILNHLRPTSVGIREYQTIRRHTSGMNPCASLADAANKGSVQACEFYDADVQTLVRQTNNIVCWANDIQSLRIEIHQPGQFRNIVTIYAQQGQSLQDAVETTATRVNKEIAGFCELADAVTARPISDELHGLIDGLKYWIRGYLDWVVHDTMRYAD... | 0 |
14,657 | 82,167 | UN | 82,167 | Q6QUY7 | CN1C(=O)C2=CC=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CN1C(=O)C2=C(O)C=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)[O-].O=C=O | null | Cn1c(CCCNC(=N)N)cn2cccc2c1=O.O=C(O)CCC(=O)C(=O)O.O=O>>Cn1c(CCCNC(=N)N)cn2ccc(O)c2c1=O.O=C(O)CCC(=O)O.O=C=O | MTTEVRADLYPSRGAAEMTTPRQDPVIWSAPGAPGPVAAKDLQGYEHDGFLTVDQLIAPDEVAVYQAELNRLISDPAVRADERSIVEKQSQNVRSVFEVHRISEVFAGLVRDERVVGRARQILGSDVYVHQSRINVKPGFGATGFYWHSDFETWHAEDGLPNMRTVSVSIALTENFDTNGGLMIMPGSHKTFLGCAGETPKDNYKKSLQMQDAGTPSDEALTKMADRHGIRLFTGRAGSATWFDCNAMHGSGDNITPYARSNVFIVFNSVENAAQEPFAAPIRRPEFIGARDFTPVK | 0 |
14,658 | 46,784 | UN | 46,784 | Q9LF04 | *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 | MVMAMDRIALFSSSSSVYHHGSSHSHGSKSSRVFTIRSDSTAVGRKLYIPPREVHLQVKYSMPPQKLEIFKSLEGWANDNLLAYLKPVEKSWQPTDFLPEPESEGFYDQVKELRERCKELSDDYLIVLVGDMITEEALPTYQTMINTLDGVRDETGASPTPWAVWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPKTENNPYLGFIYTSFQERATFISHGNTARLAKDLGDLTLGKICGTIAADERRHEHAYTKIVEKLFEIDPDTTVVGFADMMRKKISMPAHLMYDGRDDNLFDHFSSVAQRLG... | 0 |
14,659 | 76,683 | UN | 76,683 | Q9EYG9 | 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)... | MNIHEYQAKALLKSYGAPVAEGVAIFSADEAEAAAKKLPGPLYVVKSQIHAGGRGKGKFKELGPDAKGGVRLAKSVDEVVANAKDMLGNTLVTKQTGPAGKQVNRLYIEDGADIDRELYLSILVDRSVGQVAFVVSTEGGMDIEAVAEHTPEKIVTVAIDPEKGVTAENLKTLADALKLEGEARADAEKLFPILYKAFVEKDMSLLEVNPLIVMTNGRMRVLDAKVSFDGNALFRHEDVVALRDTTEEDDKEIEASKYDLAYVALDGNIGCMVNGAGLAMATMDIIKLYGAEPANFLDVGGGASKEKVTQAFKIITADPA... | 0 |
14,660 | 75,003 | UN | 75,003 | Q8H151 | 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)... | MTATTTLKSFNYLSLINHRLNHNSYAILSSPLLPRSHPASTSFSNSGFRFFQSNHLFSSQSGSLMEVFKAAFSEASNSCDRIAIKADGKSYSYGQLTSSALRISKLFLKDDTTNGGQETKKYEGFGSLKGARIGIVAKPSAEFVAGVLGTWFSGGVAVPLALSYPEAELLHVMNDSDISLLLSTEDHSETMKTIAAKSGARFHLIPPVVNSTSETVACNQFQDDSFEAEGKFLDDPALIVYTSGTTGKPKGVVHTHNSINSQVRMLTEAWEYTSADHFLHCLPLHHVHGLFNALFAPLYARSLVEFLPKFSVSGIWRRWR... | 0 |
14,661 | 79,267 | UN | 79,267 | Q8HYE4 | O=S(=O)([O-])OC1=CC=C2C=CC=CC2=C1.OC1=CC=CC=C1>>O=S(=O)([O-])OC1=CC=CC=C1.OC1=CC2=CC=CC=C2C=C1 | null | O=S(=O)(O)Oc1ccc2ccccc2c1.Oc1ccccc1>>O=S(=O)(O)Oc1ccccc1.Oc1ccc2ccccc2c1 | MSSSGTSDLPVLPTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKADVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYLNDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAASRIFVEESIYDEFV... | 0 |
14,662 | 50,340 | UN | 50,340 | P10612 | [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 | MLARGLALRSVLVKGCQPFLSAPRECPGHPRVGTGEGACISTKTPRPFSEIPSPGDNGWINLYRFWKEKGTQKIHYHHVQNFQKYGPIYREKLGNLESVYIIDPEDVALLFKFEGPNPERYNIPPWVAYHQHYQKPVGVLLKKSGAWKKDRLVLNTEVMAPEAIKNFIPLLDTVSQDFVGVLHRRIKQQGSGKFSGDIREDLFRFAFESITNVIFGERLGMLEEIVDPEAQKFIDAVYQMFHTSVPMLNLPPDLFRLFRTKTWRDHVAAWDTIFNKAEKYTQNFYWDLRRKREFNNYPGILYRLLGNDKLLSEDVKANVT... | 0 |
14,663 | 80,263 | UN | 80,263 | A5ILL1 | COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[NH3+][C@@H](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>>COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N... | null | COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C... | MKEKVVLAYSGGLDTSVILKWLCEKGFDVIAYVANVGQKDDFDAIKEKALKTGASKVYVEDLRREFVTDYIFTALLGNAMYEGRYLLGTAIARPLIAKRQVEIAEKEGAQYVAHGATGKGNDQVRFELTYAALNPNLKVISPWKDPEFLAKFKGRTDLINYAMEKGIPIKVSKKRPYSEDENLMHISHEAGKLEDPAYIPDEDVFTWTVSPKDAPDEETLLEIHFENGIPVKVVNLKDGTEKTDPLELFEYLNEVGAKNGVGRLDMVENRFIGIKSRGVYETPGATILWIAHRDLEGITMDKEVMHLRDMLAPKFAELIY... | 0 |
14,664 | 57,132 | UN | 57,132 | P56560 | [NH3+]CCC1=CC=C(O)C=C1.[H][C@]1([C@@H](O)CO)OC(=O)C(O)=C1[O-].O=O>>[NH3+]C[C@H](O)C1=CC=C(O)C=C1.O=C1O[C-]([C@@H](O)CO)C(=O)C1=O.[H]O[H] | null | NCCc1ccc(O)cc1.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.O=O>>NC[C@H](O)c1ccc(O)cc1.O.O=C1OC([C@@H](O)CO)C(=O)C1=O | MSSKCDVVVVGGGISGMAAAKLLHDSGLNVIVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNHILRLSKELGLETYKVNEVERLIHHTKGKSYPFRGSFPSVWNPITYLDHNNLWRTMDDMGREIPSDAPWKAPLAEQWDLMTMKELLDKICWTESSKQLAILFVNLCVTAEIHEVSALWFLWYVKQCGGTTRIFSTSNGGQERKFVGGSGQVSERIMDLLGDRVKLERPVIHIDQTGENVLVETLNHELYEAKYVISAVPPVLGMKIHFNPPLPMMRNQLITRVPLGSVIKSIVYYKEPFWRNMDYCGSMIIEGE... | 0 |
14,665 | 81,159 | UN | 81,159 | P43353 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)[O-].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.[H+].[H+]>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.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>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=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](O... | MDPLGDTLRRLREAFHAGRTRPAEFRAAQLQGLGRFLQENKQLLHDALAQDLHKSAFESEVSEVAISQGEVTLALRNLRAWMKDERVPKNLATQLDSAFIRKEPFGLVLIIAPWNYPLNLTLVPLVGALAAGNCVVLKPSEISKNVEKILAEVLPQYVDQSCFAVVLGGPQETGQLLEHRFDYIFFTGSPRVGKIVMTAAAKHLTPVTLELGGKNPCYVDDNCDPQTVANRVAWFRYFNAGQTCVAPDYVLCSPEMQERLLPALQSTITRFYGDDPQSSPNLGRIINQKQFQRLRALLGCGRVAIGGQSDESDRYIAPTV... | 0 |
14,666 | 78,655 | UN | 78,655 | A0A348AUV9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@@H](C)[C@@]13C=CC[C@@]3(C)CC2(C)C.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)CC=C[C@]123.O=P(O)(O)OP(=O)(O)O | MASSQVGDMVNGNAEPTRHLAKFPPSLWGDRFTSFTLDKQLWDKYGNEIEVLKEQVRSMVVAGGRKAAEQINLINVLERLGVSYHFEKEIEEQLEQLFAKFEDNEDYDLFTIALHFRIFRQHGYKMSCDVFNKFRDSNGEFKETMSNDVQGMLSLYEATYLKIRGEGFLDEAHAFTIAQLESLVGGPHLSSDLSEQVMHALKQSIHRGFPRLEAKHFISFYEKDASRNETLLRLAKLDFNQLQLSHREELCHIFRWWKELDLISKVPYARDRAVECFFWSTCAYYEPQHFVGRAVLTKIMLLLSVTDDTYDAYGTYDELK... | 0 |
14,667 | 49,512 | UN | 49,512 | Q870W1 | O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | null | O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MIHPVRRALAVAASRAPRQFLAAASRTTSVRSVRAAAASGSYYSTTSRRLQDAFPSQLENLASSTLPKVVPQVPQTLTEKIVQRYSVGLAPGKKVKSGDYVTLQPHHCMTHDNSWPVAMKFMSIGASKIHDNRQVVMTLDHDVQNKSEANLKKYRQIEEFANTHGVDFYPAGRGIGHQIMVEEGYAWPGTVTVASDSHSNMYGGVGCLGTPMVRTDAASIWATGKTWWQIPPIAKVTFTGLLPPGVTGKDVIVALCGLFNNDDVLNHAIEFTGAEETMRSIPVDDRLTIANMTTEWGALSGLFPIDAVLASWMRAKATVT... | 0 |
14,668 | 13,961 | UN | 13,961 | Q6ATS0 | 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)... | MAMATTALSASLPRLLPPRRRRFPTPSSSSPSAASTSTSRVVRLRAAAASAPSEVLDSTNGAIPSGKGGGGQQYGREYFPLAAVVGQDAIKTALLLGAIDREIGGIAISGKRGTAKTVMARGLHAMLPPIEVVVGSIANADPNYPEEWEEGLANQVQYDADGNLKTEIIKTPFVQIPLGITEDRLIGSVDVEASVKSGTTVFQPGLLAEAHRGVLYVDEINLLDEGVSNLLLNVLTEGVNIVEREGISFRHPCKPLLIATYNPEEGSVREHLLDRIAINLSADLPMSFDDRVAAVDIATQFQESSKEVFKMVEEETEVAK... | 1 |
14,669 | 81,075 | UN | 81,075 | Q5RF28 | [H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.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@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(COC(C)=O)CCC[C@]2(C)CO.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[... | 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.C[C@]1(CO)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccccc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccccc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)... | MKGSRIELGDVTPHNIKQLKRLNQVIFPVSYNDKFYKDVLEVGELAKLAYFNDIAVGAVCCRVDHSQNQKRLYIMTLGCLAPYRRLGIGTKMLNHVLNICEKDGTFDNIYLHVQISNESAIDFYRKFGFEIIETKKNYYKRIEPADAHVLQKNLKVPSGQNADVQKTDN | 0 |
14,670 | 69,252 | UN | 69,252 | Q8IWU6 | C=CC/C([S-])=N/OS(=O)(=O)[O-]>>N#CCC1CS1.O=S(=O)([O-])[O-] | 4.8.1.8 | C=CC/C(S)=N/OS(=O)(=O)O>>N#CCC1CS1.O=S(=O)(O)O | MKYSCCALVLAVLGTELLGSLCSTVRSPRFRGRIQQERKNIRPNIILVLTDDQDVELGSLQVMNKTRKIMEHGGATFINAFVTTPMCCPSRSSMLTGKYVHNHNVYTNNENCSSPSWQAMHEPRTFAVYLNNTGYRTAFFGKYLNEYNGSYIPPGWREWLGLIKNSRFYNYTVCRNGIKEKHGFDYAKDYFTDLITNESINYFKMSKRMYPHRPVMMVISHAAPHGPEDSAPQFSKLYPNASQHITPSYNYAPNMDKHWIMQYTGPMLPIHMEFTNILQRKRLQTLMSVDDSVERLYNMLVETGELENTYIIYTADHGYH... | 0 |
14,671 | 76,091 | UN | 76,091 | P04798 | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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]O[H].[H+] | null | CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)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=O)\C=C\C2=C(C)CCCC2(C)C)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.O | MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIGHMLTLGKNPHLALSRMSQQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYTFTLISNGQSMSFSPDSGPVWAARRRLAQNGLKSFSIASDPASSTSCYLEEHVSKEAEVLISTLQELMAGPGHFNPYRYVVVSVTNVICAICFGRRYDHNHQELLSLVNLNNNFGEVVGSGNPADFIPILRYLPNPSLNAFKDLNEKFYSFMQKMVKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANVQLSDEKIINIVLDLFGAGFD... | 0 |
14,672 | 76,583 | UN | 76,583 | Q8ZT70 | CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=O)[O-].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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>CC1(C)CC[C@@H](C(=O)[O-])[NH2+]C1C(=O)[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](O)[... | null | CC1(C)CC[C@@H](C(=O)O)N=C1C(=O)O.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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1>>CC1(C)CC[C@@H](C(=O)O)NC1C(=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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 | MLRVIGLGAVGSLFTYFLNRAGVVPEVVQRRRCGEFLFCVEGDCEKLKFREGGAADDVGYTIVAVKAYDSRSVVPHLKGVAVVAQNGIGGYEEIKEAYPNSVPAVVTYGVYREGCRAELRGVGEIYLPSAVSTLAELLERGGGRVRLVEDIEPYRWLKLAVNAAINAITALLQAPNGVIISSPYAQTLALEVAQEVLNVATALGVKMPRNPVEEVLRVASATAKNLSSTARDVAACAKTEIDYINGAVVKYGEALGVATPVNKALFNLIKARESLCNSG | 0 |
14,673 | 79,287 | UN | 79,287 | P9WQ55 | [NH3+]CCCCN(O)C(=O)CCC(=O)NCCCCN(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)CCCCNC(=O)CCC(=O)N(O)CCCCN1.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 | NCCCCN(O)C(=O)CCC(=O)NCCCCN(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)CCCCNC(=O)CCC(=O)N(O)CCCCN1.O=P(O)(O)OP(=O)(O)O | MGGKKFQAMPQLPSTVLDRVFEQARQQPEAIALRRCDGTSALRYRELVAEVGGLAADLRAQSVSRGSRVLVISDNGPETYLSVLACAKLGAIAVMADGNLPIAAIERFCQITDPAAALVAPGSKMASSAVPEALHSIPVIAVDIAAVTRESEHSLDAASLAGNADQGSEDPLAMIFTSGTTGEPKAVLLANRTFFAVPDILQKEGLNWVTWVVGETTYSPLPATHIGGLWWILTCLMHGGLCVTGGENTTSLLEILTTNAVATTCLVPTLLSKLVSELKSANATVPSLRLVGYGGSRAIAADVRFIEATGVRTAQVYGLS... | 0 |
14,674 | 22,464 | UN | 22,464 | P17549 | [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 | MLALLLSPYGAYLGLALLVLYYLLPYLKRAHLRDIPAPGLAAFTNFWLLLQTRRGHRFVVVDNAHKKYGKLVRIAPRHTSIADDGAIQAVYGHGNGFLKSDFYDAFVSIHRGLFNTRDRAEHTRKRKTVSHTFSMKSIGQFEQYIHGNIELFVKQWNRMADTQRNPKTGFASLDALNWFNYLAFDIIGDLAFGAPFGMLDKGKDFAEMRKTPDSPPSYVQAVEVLNRRGEVSATLGCYPALKPFAKYLPDSFFRDGIQAVEDLAGIAVARVNERLRPEVMANNTRVDLLARLMEGKDSNGEKLGRAELTAEALTQLIAGS... | 0 |
14,675 | 80,879 | UN | 80,879 | O74457 | [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... | MTDTRKFKATDLFSFNNINLDPLTETFNISFYLSYLNKWPSLCVVQESDLSDPTLMGYIMGKSEGTGKEWHTHVTAITVAPNSRRLGLARTMMDYLETVGNSENAFFVDLFVRASNALAIDFYKGLGYSVYRRVIGYYSNPHGKDEDSFDMRKPLSRDVNRESIRENGENFKCSPADVSF | 0 |
14,676 | 78,503 | UN | 78,503 | Q88IU0 | 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 | MNAFTQIDELVMPLPLEPQGYTIAPSKQSPRLLELTFARETVEAFVQAVAQWPVQALEYKSFLRFRVGEILDELCQGTLRPVLLNTILDRATGGMLITPIGLDDVSQAEDMVKFTTACAHLIGRSNYDAMSGQFYARFVVVNSDNSDSYLRQPHRVMELHNDGTFVNQITDYVLMLKIDEKNMEGGNSLLLHLDDWEQCEAFFRHPLARREMRWTAPPSKKVAEDVFHSVFDTDAEGRPTMRYIDQFVQPENYEEGIWLNALSESLEGSGKKVSVPVGVGSFLLINNLFWLHGRDRFTPHEGLRRELMRQRGYVAFPKPL... | 0 |
14,677 | 79,175 | UN | 79,175 | P9WPW3 | O=C([O-])C1CCCCC1.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)CCC(=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.O=C([O-])CCC(=O)[O-] | 2.3.1.315 | 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)CCC(=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.O=C(O)CCC(=O)O | MSAPGWSRDEMAARVAAEFEDGQYVNLGIGMPTLIPNHIPDGVHVVLHSENGILGVGPYPRREDVDADLINAGKETVTTLPGAAFFSSSTSFGIIRGGHLDVAVLGAMQVSVTGDLANWMIPGKMVKGMGGAMDLVHGARKVIVMMEHTAKDGSPKILERCTLPLTGVGCVDRIVTELAVIDVCADGLHLVQTAPGVSVDEVVAKTQPPLVLRDLATQ | 0 |
14,678 | 62,376 | UN | 62,376 | Q8R0F8 | C[C@H](O)C(=O)CC(=O)C(=O)[O-].[H]O[H]>>C[C@H](O)C(=O)[O-].CC(=O)C(=O)[O-].[H+] | 3.7.1.26 | C[C@H](O)C(=O)CC(=O)C(=O)O.O>>CC(=O)C(=O)O.C[C@H](O)C(=O)O | MTQSCTMASTKPLSRFWEWGKNIVCVGRNYADHVKEMRSTVLSEPVLFLKPSTAYAPEGSPVLMPAYCRNLHHEVELGVLLGKRGEAIPEAAAMDYVAGYALCLDMTARDVQEECKKKGLPWTLAKSFTSSCPVSAFVPKEKIPDPHALRLWLKVNGELRQEGKTSSMIFSIPYIISYVSKIITLEEGDLILTGTPKGVGPIKENDEIEAGIDGVVSMRFKVKRSEY | 0 |
14,679 | 76,103 | UN | 76,103 | Q8VWJ6 | 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 | MAQRVQEEDEQMMSTDDLIQAQIKLYHHCFAFIKSTALWAAIDLRIADVIHRNGGAATLSDLALNVGLHPTKLSHLRRLMRVLTVTGIFAVEDRNGEAMYTLTRVSRLLLNSDGEGTHALSQMARVLANPLAVISHFSIHEWFTTEKATTMTPFEVAHGCTRWEMIANDAKDGSVFNAGMVEDSRVAMDIILKESCGIFQGISSLIDVGGGHGAAAAAIATAFPNIKCTVLDLPHIVAEAPATHSNIQFIGGDLFKFIPAADVVLLKCLLHCWQDDDCVKILRLCKEAIPARDAGGKVIIIEVVVGIGSEEIVPKEMQLL... | 0 |
14,680 | 59,064 | UN | 59,064 | A0A4P8DY91 | CC1=C([O-])OC(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)=C(C)C1=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>>COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 2.1.1.353 | CC(=C\c1ccc([N+](=O)[O-])cc1)/C=C(\C)CCc1oc(O)c(C)c(=O)c1C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MTTTELIPPTIQVDEEEEEACMFAMQLASASVLPMVLKSAIELDLLESIAKAGPGAYVSPSELAAKLPSSQPDTPVMLDRILRLLASYSVLKCKVQDLPQGGVERLYALAPVCKFLTKNSDGVSMAPLLLMNQDKILMESWYHLKDAVLDGGIPFNKAYGMTAFEYHGKDPRFNKVFNLGMSNHSTITMKKILQTYNGFAGLKTVVDVGGGTGATLNMIISKYPNIKGINFDLPHVVEDAPSYPGVEHVGGDMFVSVPEGDAIFMKWICHDWSDAHCLSFLKNCYKALPQNGKVILAECILPEAPDSKLTTKNVIHIDVI... | 0 |
14,681 | 76,492 | LR | 76,491 | A0A068CNX1 | 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 | MARLLLLLVGVLIACAAGARAGSEFLAEDNPIRQVVDGMHELESSILKAVGNSRRAFSFARFAHRYGKSYESSEEIQKRFQVYSENLRMIRSHNKKGLSYSMGVNEFSDLTWDEFKKHRLGAAQNCSATRRGNHKLTSAILPDSKDWRESGIVSPVKSQGSCGSCWTFSSTGALEAAYAQAFGKGISLSEQQLVDCAGAFNNFGCNGGLPSQAFEYIKYNGGLMTEEAYPYTGHDGECKYSSENAAVQVLDSVNITLGAEDELKHAVALVRPVSVAFEVVDGFRSYNGGVYTSTTCGSDPMDVNHAVLAVGYGVEGGVPY... | 1 |
14,682 | 75,259 | UN | 75,259 | I1SB12 | 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=O>>O=C1C=C(C2=CC(O)=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)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=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | MRSAFILALGLITASADALVTRGAIEACLSAAGVPIDIPGTADYERDVEPFNIRLPYIPTAIAQTQTTAHIQSAVQCAKKLNLKVSAKSGGHSYASFGFGGENGHLMVQLDRMIDVISYNDKTGIAHVEPGARLGHLATVLNDKYGRAISHGTCPGVGISGHFAHGGFGFSSHMHGLAVDSVVGVTVVLADGRIVEASATENADLFWGIKGAGSNFGIVAVWKLATFPAPKVLTRFGVTLNWKNKTSALKGIEAVEDYARWVAPREVNFRIGDYGAGNPGIEGLYYGTPEQWRAAFQPLLDTLPAGYVVNPTTSLNWIES... | 0 |
14,683 | 74,167 | UN | 74,167 | O87387 | [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 | MASLVPCPNCGRRPKEEFTIKGAALSRPEADADSIDWFDYVYLRENPRGAYEEYWHHTSGCRRWLVVARDTVTHEIAACCDAAGRARSEARK | 0 |
14,684 | 78,523 | UN | 78,523 | P39353 | [H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O.[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]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O.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 | MINYGVVGVGYFGAELARFMNMHDNAKITCVYDPENGENIARELQCINMSSLDALVSSKLVDCVIVATPNYLHKEPVIKAAKNKKHVFCEKPIALSYEDCVDMVKACKEAGVTFMAGHIMNFFNGVQYARKLIKEGVIGEILSCHTKRNGWENKQERLSWKKMKEQSGGHLYHHIHELDCVQHLLGEIPETVTMIGGNLAHSGPGFGNEDDMLFMTLEFPSGKLATLEWGSAFNWPEHYVIINGTKGSIKIDMQETAGSLRIGGQTKHFLVHETQEEDDDRRKGNMTSEMDGAIAYGHPGKKTPLWLASLIRKETLFLHN... | 1 |
14,685 | 59,224 | UN | 59,224 | Q9LHL5 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@]12[C@@]3(C)CCC[C@]1(C)CC(=C)[C@]1([H])CC[C@@H](C)[C@]([H])(CC3)[C@]21[H].O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.201 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C1C[C@@]2(C)CCC[C@@]3(C)CC[C@@H]4[C@H]([C@@H]32)[C@H]1CC[C@H]4C.O=P(O)(O)OP(=O)(O)O | MADKLVAGKHLRYILNLMAEKKKESFESVVMDHLRMNGAYWGLTTLALLDKLGSVSEDEVVSWVMTCQHESGGFAGNTGHDPHVLYTLSAVQILALFDKLNILDVEKVSNYIAGLQNEDGSFSGDIWGEVDTRFSYIAICCLSILKCLDKINVKKAVDYIVSCKNLDGGFGCSPGAESHAGQIFCCVGALAITGNLHRVDKDLLGWWLCERQDYESGGLNGRPEKLPDVCYSWWVLSSLIMIDRVHWIEKAKLVKFILDSQDMDNGGISDRPSYTVDIFHTYFGVAGLSLLEYPGVKTIDPAYALPVHVINRILFTK | 0 |
14,686 | 78,815 | UN | 78,815 | P9WKF7 | [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 | MNPTLAVLGAGAKAVAVAAKASVLRDMGVDVPDVIAVERIGVGANWQASGGWTDGAHRLGTSPEKDVGFPYRSALVPRRNAELDERMTRYSWQSYLIATASFAEWIDRGRPAPTHRRWSQYLAWVADHIGLKVIHGEVERLAVTGDRWALCTHETTVQADALMITGPGQAEKSLLPGNPRVLSIAQFWDRAAGHDRINAERVAVIGGGETAASMLNELFRHRVSTITVISPQVTLFTRGEGFFENSLFSDPTDWAALTFDERRDALARTDRGVFSATVQEALLADDRIHHLRGRVAHAVGRQGQIRLTLSTNRGSENFET... | 0 |
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