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 |
|---|---|---|---|---|---|---|---|---|---|
15,197 | 74,527 | UN | 74,527 | P0A9H4 | C[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-].[H+]>>C[NH+](C)CCCCC[NH3+].O=C=O | null | CN(C)CCCC[C@H](N)C(=O)O>>CN(C)CCCCCN.O=C=O | MNVIAILNHMGVYFKEEPIRELHRALERLNFQIVYPNDRDDLLKLIENNARLCGVIFDWDKYNLELCEEISKMNENLPLYAFANTYSTLDVSLNDLRLQISFFEYALGAAEDIANKIKQTTDEYINTILPPLTKALFKYVREGKYTFCTPGHMGGTAFQKSPVGSLFYDFFGPNTMKSDISISVSELGSLLDHSGPHKEAEQYIARVFNADRSYMVTNGTSTANKIVGMYSAPAGSTILIDRNCHKSLTHLMMMSDVTPIYFRPTRNAYGILGGIPQSEFQHATIAKRVKETPNATWPVHAVITNSTYDGLLYNTDFIKK... | 0 |
15,198 | 80,883 | UN | 80,883 | Q976C3 | [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.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-]>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@... | null | C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/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](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/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)ncnc32)[C@H](O... | MEFAEAKKGKEYRIRNARLTDVDQIIKINRLALPENYPYYFFVEHLKEYEAAFFVAEVDGEVVGYIMPRIEWGFSNLKQLPTLVKKGHVVSIAVLEQYRRLGIGTALLQASMKAMKEVYNAEEVYLEVRVSNSPAINLYKKLGFKEVKVLRHYYADGEDAYLMAAPL | 0 |
15,199 | 81,495 | UN | 81,495 | Q3SZI8 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](CC1=CC=C(O)C(Cl)=C1)C(=O)[O-].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=NC(=O)[N-]C(=O)C1=N2.[H+].[H+]>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC... | 4.1.1.129 | CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N[C@H](Cc1ccc(O)c(Cl)c1)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C>>CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OCC)C(=O)N/C=... | MATAAWLLGRRVASWRMRPPLQSLAGLITQRTNSLLPVDDAVNGLNEEQKQLRQTVAKFLQEHLAPQAQEIDQSNEFKNLREFWKQLGNLGVLGITAPVQYGGSGLGFLENVLVMEEISRVSGAVGLSYGAHSNLCINQIVRNGNETQKEKYLPKLISGEYIGALAMSEPNAGSDVVSMKLKAEKKGDHYVLNGNKFWITNGPDADVLVVYAKTDVTAVPASRGITAFIVEKGMPGFSTSKKLDKLGMRGSNTCELVFEDCEVPAANILGHLGKGVYVLMSGLDLERLVLAGGPLGIMQAVLDHTIPYLHMREAFGQKIG... | 0 |
15,200 | 81,127 | UN | 81,127 | O81928 | COC1=CC(C[C@H]2CN(C(C)=O)[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]2CN(C(C)=O)[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]... | null | COc1cc(C[C@H]2CN(C(C)=O)[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(C)=O)[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 | MDLLLLEKTLLALFIAATIAITISKLRGKRFKLPPGPIPVPVFGNWLQVGDDLNHRNLTDLAKRFGDIFLLRMGQRNLVVVSSPELAKEVLHTQGVEFGSRTRNVVFDIFTGKGQDMVFTVYGTLAEMRRIMTVPFFTNKVVQQYRFGWEFEAQSVVDDVKKNPEACSSGIVLRRRLQLMMYNIMYRIMFDRRFESEEDPLFVKLKALNGERSRLAQSFEYNYGDFIPILRPFLKGYLKLCKEVKDRRLQLFKDYFVDERKKLGSTKSTTNEGLKCAIDHILDAQQKGEINDDNVLYIVENINVAAIETTLWSIEWGIAE... | 0 |
15,201 | 81,131 | UN | 81,131 | I3V6B7 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=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=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.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 | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)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)CN2)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 | MELFIKLPFIQPIPFSIILVTTVSIVLLYSVFFWVTDKKKKRKKAPNAAGAWPLIGHLRLLMNDKEPLYRALGSMADKYGPAFNIRLGNQEVLVVSNWEMVKQCFGNQNDKLFSNRQTTLAAKYMLNQTTSSGFAPYGPYWRELRKIMVQQLLSKQSLESWKHLKIKEMDASFSKLNELCNNNGTGTATLIRMDEWFAELTFNVIARNVFGYQSGGRSTALTNGDTESKGERYKKTLEEALHLMSIFAVSDIFPSLEWVDRLRGLIRNMKRFGDELNSIAGCLIEEHRQKRLQSVSKSDKGVGDEQDFVDVLLSVAEKSQ... | 0 |
15,202 | 69,652 | LR | 69,651 | O15247 | CC(C)(OO)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(OO)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(O)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | MSGLRPGTQVDPEIELFVKAGSDGESIGNCPFCQRLFMILWLKGVKFNVTTVDMTRKPEELKDLAPGTNPPFLVYNKELKTDFIKIEEFLEQTLAPPRYPHLSPKYKESFDVGCNLFAKFSAYIKNTQKEANKNFEKSLLKEFKRLDDYLNTPLLDEIDPDSAEEPPVSRRLFLDGDQLTLADCSLLPKLNIIKVAAKKYRDFDIPAEFSGVWRYLHNAYAREEFTHTCPEDKEIENTYANVAKQKS | 1 |
15,203 | 76,519 | UN | 76,519 | Q1JQC6 | *N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.[H]O[H]>>*N[C@@H](CCCC[NH3+])C(*)=O.O=C([O-])CCCC[C@@H]1CCSS1 | 3.5.1.138 | *N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.O>>*N[C@@H](CCCCN)C(*)=O.O=C(O)CCCC[C@@H]1CCSS1 | MRMSFGLTFKRTAKVHWRANFSQQCSLRSTGLFVPPSPPLDPEKVKELQRFITLSKRLLVMTGAGISTESGIPDYRSEKVGLYARTDRRPIQHGDFVRSAPVRQRYWARNFVGWPQFSSRQPNPAHWALSNWERLGKLHWLVTQNVDALHTKAGSQRLTELHGCMHRVLCLDCGEQTPRGVLQERFQVLNPTWSAEAHGLAPDGDVFLTEEEVQSFQVPSCSRCGGPLKPDVVFFGDTVKPDKVDFVHKRVKEADSLLVVGSSLQVYSGYRFILTAREKKLPIVILNIGPTRSDDLASLKLDSRCGELLPLIDPR | 0 |
15,204 | 75,763 | UN | 75,763 | Q64391 | CCCCCC/C=C/C=C/CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)[O-] | null | CCCCCC/C=C/C=C/CCCCCCCC(=O)O.O>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)O | MPLSWLLPFSAMELLLTATIFYLVLWVVKAFRLQVPKGLKSPPGPWGWPLIGHVLTLGKNPHLALTRLSARYGDVLQIRIGSTPVVVLSGLDTIRQALVRQSDDFKGRPDLYSSTFISDGQSMIFNPDSGPVWAARRRLAQSALQSFSVASDPASVSSCYLEEHVSREAEHLVTKLLDLMAGPGCFEPSSQIVGSVANVIGAMCFGKNFPQTSEEMLQIVNTSKEFTEFASSGNPVDFFPILRYLPNPMLQQFKDFNKRFLQFLQKTVQEHYQDFDKNHVQDIASALFKHSEESPHVNGDLIPRKKIVNLVNDIFGAGFD... | 0 |
15,205 | 78,975 | UN | 78,975 | C4ZZT2 | 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 | MSKIVKIIGREIIDSRGNPTVEAEVHLEGGFVGMAAAPSGASTGSREALELRDGDKSRFLGKGVTKAVAAVNGPIAQALIGKDAKDQAGIDKIMIDLDGTENKSKFGANAILAVSLANAKAAAAAKGMPLYEHIAELNGTPGKYSMPVPMMNIINGGEHADNNVDIQEFMIQPVGAKTVKEAIRMGSEVFHHLAKVLKAKGMNTAVGDEGGYAPNLGSNAEALAVIAEAVKAAGYELGKDITLAMDCAASEFYKDGKYVLAGEGNKAFTSEEFTHFLEELTKQYPIVSIEDGLDESDWDGFAYQTKVLGDKIQLVGDDLF... | 0 |
15,206 | 81,379 | UN | 81,379 | B5BCL4 | *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 | MKQSHFFAHLSRMKLINRWPLMRNVRTENVSEHSLQVAMVAHALAAIKNRKFGGQLNAERIALLAMYHDASEVLTGDLPTPVKYFNSQIAQEYKAIEKIAQQKLVDMAPDELRDIFAPLIDENAWSEEEQAIVKQADALCAYLKCLEELSAGNNEFGLAKTRLEKTLELRRSQEMDYFMAVFVPSFHLSLDEISQDSPL | 0 |
15,207 | 79,571 | UN | 79,571 | O58097 | 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 | MVRKVNIIKGNEGQGKRIKFVQLIFVDINGMPKGMEVPITRLEEAIEEGIAFDGSSVPGFQGIEDSDLVFKADPSTYVEVPWDNVARVYGYIYKDGKPYEADPRGVLRRTLERLEKLGIKVYIGPEPEFYLFKKNGSWELEIPDVGGYFDILTLDKAKDIKREIAEYMPYFGLTPEVLHHEVGKAQHEIDFRHDEALKTADNIVSFKYIVKAVAEMHGLYATFMPKPIYGMPGNGMHLHISLWKDGENIFKGEEGLSETALYFIGGLLKHAKALAAVTNPTVNSYKRLVPGYEAPVYISWGYKNRSALIRVPAFWGNGAR... | 0 |
15,208 | 76,083 | UN | 76,083 | P00184 | 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 | MPSMYGLPAFVSATELLLAVTVFCLGFWVVRATRTWVPKGLKTPPGPWGLPFIGHMLTVGKNPHLSLTRLSQQYGDVLQIRIGSTPVVVLSGLNTIKQALVRQGDDFKGRPDLYSFTLITNGKSMTFNPDSGPVWAARRRLAQNALKSFSIASDPTSASSCYLEEHVSKEANYLVSKLQKVMAEVGHFDPYKYLVVSVANVICAICFGQRYDHDDQELLSIVNLSNEFGEVTGSGYPADFIPVLRYLPNSSLDAFKDLNDKFYSFMKKLIKEHYRTFEKGHIRDITDSLIEHCQDRKLDENANVQLSDDKVITIVLDLFG... | 0 |
15,209 | 56,272 | UN | 56,272 | Q6CMK7 | [Fe+3].[Fe+3].[Fe+3].[Fe+3].CO.[H]O[H]>>[Fe+2].[Fe+2].[Fe+2].[Fe+2].[H]C(=O)[O-].[H+].[H+].[H+].[H+].[H+] | null | CO.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3]>>O=CO.[Fe+2].[Fe+2].[Fe+2].[Fe+2] | MSRVLSRRDIADRIAKGQTIVIYEDSVLNLDKWIKFHPGGDKSIYHMIGRDATDEMNAYHDDQTITKFKIWKIGRIDYPWENMLPPIQGGRFSKIDERDDIGDYDINLTSKWRSVDESNQYTKIPKNDRLASEAEVKIYPKIPQGVVPSLDLKEAYEKKIVVDPAIVSENYDNERVYEDLTNFPSLDVKNQEWIASEYRKLHGEITAAGLYQCNYVRYLKEFLRIGTLFGISFYLLSLKWFAISAICLGFAWQQLVFIAHDAGHISITHNYQVDNIIGMTVASWIGGLSLGWWKRNHNVHHLVTNDPVHDPDIQHLPFFA... | 0 |
15,210 | 69,611 | UN | 69,611 | B7L603 | 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 | MLNQKIQNPNPDELMIEVDLCYELDPYELKLDEMIEAEPEPEMIEGLPASDALTPADRYLELFEHVQSAKIFPDSKTFPDCAPKMDPLDILIRYRKVRRHRDFDLRKFVENHFWLPEVYSREYVSDPQNSLKEHIDQLWPVLTREPQDHIPWSSLLALPQSYIVPGGRFSETYYWDSYFTMLGLAESGREDLLKCMADNFAWMIENYGHIPNGNRTYYLSRSQPPVFALMVELFEEDGVRGARRYLDHLKMEYAFWMDGAESLIPNQAYRHVVRMPDGSLLNRYWDDRDTPRDESWLEDVETAKHSGRPPNEVYRDLRAG... | 0 |
15,211 | 22,984 | UN | 22,984 | Q934T0 | 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 | MPNTHDTKNNVSPSEYAKFDPSTIHQRLNTSLSRPQLNSDGSIRHFLGVEGLNKAQLQAIIAKALFFEPSTRTRTTFEVAEKRLGANVLNLDIASSSAKKGESLRDTLWNLQAMTADIFVVRHSASGAAHFMATEVTPDIAIINGGDGWHAHPTQGMLDMLTIHREAPRPFEELSVAIIGDVKHSRVARSDISALQTLGVKDIRVIAPRTLLPKGIERFGVQVYEDMNSCVRDCDVIMGLRIQNERIGSPLLASSSEYYKQYGITPERVALAKPDALIMHPGPMNRGVEIASSVADGPQSVILKQVSNGVAIRMAVLALT... | 0 |
15,212 | 80,331 | UN | 80,331 | G3XD01 | [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)OC(=O)C[C@H](OC(C)=O)[C@]21C.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@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@... | 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)OC(=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]3CC[C@]21C.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)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](OC... | MSYYQHPSAIVDDGAQIGSDSRVWHFVHICAGARIGAGVSLGQNVFVGNKVVIGDRCKIQNNVSVYDNVTLEEGVFCGPSMVFTNVYNPRSLIERKDQYRNTLVKKGATLGANCTIVCGVTIGEYAFVGAGAVINKNVPSYALMVGVPARQIGWMSEFGEQLQLNEQGEAVCSHSGARYVLNGKILSKVDV | 0 |
15,213 | 80,331 | UN | 80,331 | Q7DBF7 | [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)OC(=O)C[C@H](OC(C)=O)[C@]21C.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@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@... | 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)OC(=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]3CC[C@]21C.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)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](OC... | MNLYGIFGAGSYGRETIPILNQQIKQECGSDYALVFVDDVLAGKKVNGFEVLSTNCFLKAPYLKKYFNVAIANDKIRQRVSESILLHGVEPITIKHPNSVVYDHTMIGSGAIISPFVTISTNTHIGRFFHANIYSYVAHDCQIGDYVTFAPGAKCNGYVVIEDNAYIGSGAVIKQGVPNRPLIIGAGAIIGMGAVVTKSVPAGITVCGNPAREMKRSPTSI | 0 |
15,214 | 65,820 | UN | 65,820 | E3PZR9 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)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)CCCCCCCCC)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 | MALRSLFLPNAFPNASSFRGGSRRGAAPRAMPIVMKSNVEVGARNEIAKKPFTPPFEIHEQITHSLPPEKIEIFKSLEGWATDNILIHLRPVEKSWQPQDYLPDPSAESFHDQVKELRQRSKEIPDDYFVALVGDMITEEALPTYQTMLNTLDGVRDETGASLTSWAVWTRAWTAEENRHGDLLNKYLYLTGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATSISHGNTARHAKDYGDLSLAQVCGIIASDEKRHEKAYTKIIEKLFEIDPDATVLAFADMMKKKISMPAHLMYDGRDDNLFKHFSSVA... | 0 |
15,215 | 79,315 | UN | 79,315 | Q9C512 | [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)... | MARSRSISGYGIWKYLNPAYYLRRPRRLALLFIVFVSVSMLVWDRINLAREHEVEVFKLNEEVSRLEQMLEELNGGVGNKPLKTLKDAPEDPVDKQRRQKVKEAMIHAWSSYEKYAWGKDELQPRTKDGTDSFGGLGATMVDSLDTLYIMGLDEQFQKAREWVASSLDFDKDYDASMFETTIRVVGGLLSAYDLSGDKMFLEKAKDIADRLLPAWNTPTGIPYNIINLRNGNAHNPSWAAGGDSILADSGTEQLEFIALSQRTGDPKYQQKVEKVITELNKNFPADGLLPIYINPDNANPSYSTTTFGAMGDSFYEYLLK... | 0 |
15,216 | 78,519 | UN | 78,519 | P45424 | [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 | MMMGEVQSLPSAGLHPALQDALTLALAARPQEKAPGRYELQGDNIFMNVMTFNTQSPVEKKAELHEQYIDIQLLLNGEERILFGMAGTARQCEEFHHEDDYQLCSTIDNEQAIILKPGMFAVFMPGEPHKPGCVVGEPGEIKKVVVKVKADLMA | 0 |
15,217 | 80,295 | UN | 80,295 | A0A067DDU9 | [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[C@]21C>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)OC3O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C | null | 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>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC=C3[C@]4(C)[C@H](O)C[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]32C)C(O)O1 | MQSFGSQTWDCAFAVQALLACNLTDEIGPILMKAHDFLKTSQVTDNPPGDFESMFRHTSKGGWTFSNKDHGWPVSDCTAEALLCCLYFSMLPPEIVGEKMEPERYYDAVNCIISMQSQTGGVPAWEPRRAPSWLESLNPIEFFDEVIIEH | 0 |
15,218 | 76,579 | UN | 76,579 | A7X273 | 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](OP(=O)([O-])[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=C... | 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](OP(=O)(O)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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1 | MKILLIGYGAMNQRVARLAEEKGHEIVGVIENTPKATTPYQQYQHIADVKDADVAIDFSNPNLLFPLLDEEFHLPLVVATTGEKEKLLNKLDELSQNMPVFFSANMSYGVHALTKILAAAVPLLDDFDIELTEAHHNKKVDAPSGTLEKLYDVIVSLKENVTPVYDRHELNEKRQPQDIGIHSIRGGTIVGEHEVLFAGTDETIQITHRAQSKDIFANGAIQAAERLVNKPNGFYTFDNL | 0 |
15,219 | 81,079 | UN | 81,079 | Q9NHD5 | [H][C@@]12[C@H](OC(=O)C3=CC=C(O)C=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=C(O)C=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... | 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)c4ccc(O)cc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccc(O)cc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C... | MTRSSIELGDVTPHNIKQLKKLNTVVFPVSYNDKFYVDVLEAGELAKLAYYNDIVVGAVCCRIDNTENQRRLYIMTLGCLSPYRRLGIGTVMFEHIMNFAEKDGNFDSIFLHVQINNNGAIEFYKKFGFEIVDTKEQYYKRIEPADAHVLQKTLRRTAPNSNSTATSTTANSNSRSKARQFTFV | 0 |
15,220 | 80,331 | UN | 80,331 | P0DO28 | [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)OC(=O)C[C@H](OC(C)=O)[C@]21C.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@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@... | 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)OC(=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]3CC[C@]21C.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)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](OC... | MSTTLQPLPGGLQVAVQACLFLGAVSRSRRFRALLFPPVLAMSLYMLLYTTTGKDSDDIVTWSLITTSLLQGSDILLINDVADLRLVGQKTPTNELSLWQRIKWAGRLMSAPRAVGFTHESRHVFPPHPPANEPRWTFIKRQSLTTLFYFVVLDLVHTFIVLSPVFQRDGVSLTSVDWPMRFLYTALHAAHLWSYMSFGYSAASVVLVALGVSDSDQWPAIYGDWSNAYTIRRFWGRVWHQVFRRIVSTHGDFVTYRFLALPKGTFFADNVHRYTAFFISGVIHAVGEYGMFRDQWLQKSGALRFFLLQATAILVEQEVG... | 0 |
15,221 | 22,984 | UN | 22,984 | B1J355 | 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 | MTPIDAKRPLQLNDQGQLRHFLSLDGLPRELLTEILDTADSFLEVGARAVKKVPLLRGKTVCNVFFENSTRTRTTFELAAQRLSADVISLNVSTSSTSKGETLFDTLRNLEAMAADMFVVRHSDSGAAHFIAEHVCPDVAVINGGDGRHAHPTQGMLDMLTIRRHKGSFENLSVAIVGDILHSRVARSDMLALKALGCPDIRVIGPKTLIPIGIEQYGVKVYTDLTEGLKDVDVVIMLRLQRERMAGGLLPSEGEFYRLFGLTTARLAGAKPDAIVMHPGPINRGVEIESAVADGKHSVILNQVTYGIAVRMAVLSMAMS... | 0 |
15,222 | 81,171 | UN | 81,171 | P22307 | CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=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-]>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C... | 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.CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=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)NCCS.CCCCCC[C@@H](O)CCCCCC/C=C/... | MSSSPWEPATLRRVFVVGVGMTKFVKPGAENSRDYPDLAEEAGKKALADAQIPYSAVDQACVGYVFGDSTCGQRAIYHSLGMTGIPIINVNNNCATGSTALFMARQLIQGGVAECVLALGFEKMSKGSLGIKFSDRTIPTDKHVDLLINKYGLSAHPVAPQMFGYAGKEHMEKYGTKIEHFAKIGWKNHKHSVNNPYSQFQDEYSLDEVMASKEVFDFLTILQCCPTSDGAAAAILASEAFVQKYGLQSKAVEILAQEMMTDLPSSFEEKSIIKMVGFDMSKEAARKCYEKSGLTPNDIDVIELHDCFSTNELLTYEALG... | 0 |
15,223 | 56,476 | UN | 56,476 | Q48303 | *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(=... | MARDPRFDILFTPLKLGSKTIRNRFYQVPHCNGAGTNSPGMNMAHRGIKAEGGWGAVNTEQCSIHPECDDTLRITARIWDQGDMRNLRAMVDHVHSHGSLAGCELFYGGPHAPAIESRTISRGPSQYNSEFATVPGCPGFTYNHEADIDELERLQQQYVDAALRARDTGFDLVNVYGAHAYGPMQWLNPYYNRRTDKYGGSFDNRARFWIETLEKIRRAVNDDVALVTRCATDTLYGTKGVELTEDGLRFIELASPYLDLWDVNIGDIAEWGEDAGPSRFYPIAHENDWIRHIKQATNKPVVGVGRYYDPEKMLQVIKAG... | 0 |
15,224 | 69,272 | UN | 69,272 | Q8RY71 | 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 | MAPTLQGQWIKVGQKGGTGPGPRSSHGIAAVGDKLYSFGGELTPNKHIDKDLYVFDFNTQTWSIAQPKGDAPTVSCLGVRMVAVGTKIYIFGGRDENRNFENFRSYDTVTSEWTFLTKLDEVGGPEARTFHSMASDENHVYVFGGVSKGGTMNTPTRFRTIEAYNIADGKWAQLPDPGDNFEKRGGAGFAVVQGKIWVVYGFATSIVPGGKDDYESNAVQFYDPASKKWTEVETTGAKPSARSVFAHAVVGKYIIIFAGEVWPDLNGHYGPGTLSNEGYALDTETLVWEKLGEEGAPAIPRGWTAYTAATVDGKNGLLMH... | 0 |
15,225 | 81,131 | UN | 81,131 | Q9Y7G5 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=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=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.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 | COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)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)CN2)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 | MSLQTIGIAAVAVVYFLIRYFNRTDIPKIKGLPEVPGVPIFGNLIQLGDQHATVAQKWAKKFGPVFQVRMGNKRVVFANTFDSVRQLWIKDQSALISRPTFHTFHSVVSSSQGFTIGTSPWDESCKRRRKAAATALNRPATQSYMPIIDLESMSSIRELLRDSANGTMDINPTAYFQRFALNTSLTLNYGIRIEGNVNDELLREIVDVERGVSNFRSTSNQWQDYIPLLRIFPKMNREAEEFRVRRDKYLTYLLDVLKDRIAKGTDKPCITGNILKDPEAKLNDAEIKSICLTMVSAGLDTVPGNLIMGIAYLASEDGQR... | 0 |
15,226 | 76,767 | UN | 76,767 | S5DWK8 | CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.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=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 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.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MPSSSGVDSTQELLDAQAHIWNHIFNHINSMTLKWAVQLGIPDIIHKHDKPMTLSQLADAIPINRAKSDALHRIMRILVHSKFFDRVRTLPNEEEAYCLTRASRLLLRDEPLSLTPFALAVLDEDLMGTFHCVPEWFGNECPSPLEFKHEKSIREFAENNQRWSLLFNEGMANDARLVGSILAKESRKVFEGLETMVDVGGGTGMVSKAIVDAFPGMKGIVLDLPYVVSGLKGSGNLRYVGGDMFHSVPPADAVFLKWILHNWSDDECIKILEKCKEAITTSKNMKGGKVIIVDMILGYEKQQDEAVETQLFFDMMMMTT... | 0 |
15,227 | 46,784 | UN | 46,784 | Q01753 | *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 | MALKLHHTAFNPSMAVTSSGLPRSYHLRSHRVFMASSTIGITSKEIPNAKKPHMPPREAHVQKTHSMPPQKIEIFKSLEGWAEENVLVHLKPVEKCWQPQDFLPDPASEGFMDQVKELRERTKEIPDEYLVVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTSWAIWTRAWTAEENRHGDLLNKYLYLTGRVDMKQIEKTIQYLIGSGMDPRSENNPYLGFIYTSFQERATFISHGNTARLAKDHGDFQLAQVCGIIAADEKRHETAYTKIVEKLFEIDPDGAVLALADMMRKKVSMPAHLMYDGKDDNLFENYSAV... | 0 |
15,228 | 76,767 | UN | 76,767 | S5DQS6 | CC1=CC2=C(C(=O)C3=C(C=C([O-])C=C3O)C2=O)C(O)=C1.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=CC2=C(C(=O)C3=C(O)C=C(C)C=C3C2=O)C(O)=C1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O | 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.Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O>>COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MEGKDGSIDKGLLQSTELYKYILDTSVYPREEECLKELRALTWTHPRAVMGTAPETGQFMALLLKTINAKKTLEIGVFTGYSLLLTALAIPHDGKITAIDINRDTYEIGLPIIEKAGVKHKIDFIESKALPALDHLLKDGENKESFDFVFVDADKVNYANYHERVLELLRPGGIVVYDNTLWGGTVAMAPDLVAESKLQYRNAAVEFNNFIAADSRVQISQLPVGDGITVCRRK | 0 |
15,229 | 78,819 | UN | 78,819 | Q5L6M0 | 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 | MRRNTNFSNLEANYLFSGIRQKIQAFRKQHPEASIIDLSIGDTSYPLHTSVIHTFTQSVEKLGNPKTYRGYGPELGLPALREKLSEVFYHGQVSPEEIFISEGAKMDIFRIFSLFGPGKTIAVQDPSYPVYIDTALLTGSRKIIKLPCTKETHFFPEIPQDEAIDIFCICSPNNPTGTVLNREQLKELVDYANAQGSIILFDAAYSAFISDPTLPTSIFDIPGARSCAIEVNSFSKSLGFAGVRLGWNVVPKDLQYNDGLPVIRDWERLLFTTFNGVCLPVQESAIAGVSLFPNLEAISHYRYNSSLLREALQKADFSVY... | 0 |
15,230 | 81,375 | UN | 81,375 | Q5AK94 | *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 | MLSILSIAALLIATVQAADFSSSCPIDSPISCSSNGDTSNSCCYENPGGIILFTQFWDYNPASGPADSFTIHSIWNDYCSGGYPQFCDTSLEIDSTGSTIESIVVDQFGDQTLYDNMNKYWTDINGNNKKFWAHEFNKHGTCLNTLNPSCYSNYKQNENVYDYYSLVYQLFQKLPTYQWLVSAGIKPSTTATYTLSQIQSALKSKFGAEVYIACDSNNAINEVWYFYNIKGSILQQNYLPIDTVSKTNCPSSGIKFPPKGNSGANTLTTKTTGTTTSGSGSTSVPATSYINLTGKSGCLISNGKYYTSGTCATYHFNAGS... | 0 |
15,231 | 80,283 | UN | 80,283 | Q9Y6A2 | [H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C[C@@H](O)[C@@H]4OC4(C)C)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-].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=O>>[H][C@]12CC[C@@]3(C)[C@]([H])([C@... | null | C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[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.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=O>>CC1(C)O[C@H]1[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H... | MSPGLLLLGSAVLLAFGLCCTFVHRARSRYEHIPGPPRPSFLLGHLPCFWKKDEVGGRVLQDVFLDWAKKYGPVVRVNVFHKTSVIVTSPESVKKFLMSTKYNKDSKMYRALQTVFGERLFGQGLVSECNYERWHKQRRVIDLAFSRSSLVSLMETFNEKAEQLVEILEAKADGQTPVSMQDMLTYTAMDILAKAAFGMETSMLLGAQKPLSQAVKLMLEGITASRNTLAKFLPGKRKQLREVRESIRFLRQVGRDWVQRRREALKRGEEVPADILTQILKAEEGAQDDEGLLDNFVTFFIAGHETSANHLAFTVMELSR... | 0 |
15,232 | 78,415 | UN | 78,415 | O87125 | 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 | MAVKVLVVDDSGFFRRRVSEILSADGQIQVVGTGTNGREAIEQALALRPDVITMDYEMPLMDGITAVRNIMQRCPTPVLMFSSLTHEGARVTLDALDAGAVDYLPKNFEDISRNPDKVRQLLCEKVLTIARSNRRSISLPPLPSATSSSHAPASSSSVGASARVGAGASPAPASTSAAPKRKAYRLVAIGTSTGGPVALQRVLTQLPANFPAPLVLIQHMPAAFTKAFAERLDKLCRINVKEAEDGDILRPGLALLAPGGKQMMVDGRGTVRILPGDERLNYKPCVDVTFGSAAKAYNDKVLAVVLTGMGADGREGARLL... | 0 |
15,233 | 50,684 | UN | 50,684 | P49089 | [NH3+][C@@H](CCC(=O)NC1=CC=CC=C1)C(=O)[O-].[H]O[H]>>NC1=CC=CC=C1.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-].[H+] | 3.5.1.123 | N[C@@H](CCC(=O)Nc1ccccc1)C(=O)O.O>>N[C@@H](CCC(=O)O)C(=O)O.Nc1ccccc1 | MCGIFAAFRHEDVHRYKPKALQLSKRIRHRGPDWSGNAIKNSTIFVHERLAIVGVESGAQPITSSDGEYMLCVNGEIYNHIQLREECADYEFGTLSDCEPIIPMYLKHDIDAPKYLDGMFAWTLYDAKQDRIVAARDPIGITTLYMGRSSASPKTVYFASELKCLTDDCDTITAFPPGHVYDSKTDKITRYFTPDWLDEKRIPSTPIDYMAIRHSLEKAVRKRLMAEVPYGVLLSGGLDSSLIASIAARETAKATNDVEPSTYDSKARHLAGIDDDGKLHTAGWTSLHSFAIGLPNAPDLQAARKVAKFIGSIHHEHTFT... | 0 |
15,234 | 65,788 | UN | 65,788 | P51663 | CN(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C(Cl)=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)c(Cl)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALWAKARVWMAGPWLSLHRARPLGTRASAAPKAVLPFEAMPRCPGNKWMRVLQIWKEQGSENMHLDMHQTFQELGPIFRYDVGGRHMVFVMLPEDVERLQQAESLHPQRMLLEPWLAYRQARGHKCGVFLLNGPQWRLDRLRLNPDVLSLPALQKYTPLVDGVARDFSQTLKARVLQNARGSLTLDIAPSVFRYTIEASTLVLYGERLGLLTQQPNPDSLNFIHALEAMFKSTVQLMFVPRRLSRWTSSSMWREHFEAWDYIFQYANRAIQRIYQELALGHPWHYSGIVAELLMRADMTLDTIKANTIDLTAGSVDTTA... | 0 |
15,235 | 18,601 | UN | 18,601 | O96569 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | VPPHMHGYYPTSVSYPSIVGEMLASGFSIIGFSWICSPACTELEVVVMDWLAKFLKLPEHFLHATEGPGGGVIQGSASEAVLVAVLAAREQAVCRVRASHPELSESDIRGKLVAYSSDQSNSCIEKAGVLAAMPIKLLPAGEDLILRGAALRSAIEQDVTAGLIPVICIATLGTTGTCAYDDVDSLATVCEQYNVWLHVDAAYAGGAFALDECSELRRGLERVDSLNFNLHKFMLVNFDCSAMWLRDANKVVDSFNVDRIYLKHKYEGQTQIPDFRHWQIPLGRRFRALKVWITFRTLGAEGLRAHVRKHIELAKKFEVF... | 0 |
15,236 | 65,824 | UN | 65,824 | Q64408 | *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 | MAFRLKSDVRLAGSWLCLRGARALGTRAVTASKASVLPFEVIPQHQGNKRQRVLQFWKEQNHDDLHLEMHQTFQELGPIFRCDVGSTRIVAVMLPEDCARLHQAESPYPHRMHLEPWMAYREHRRQNLGVFLLNGPEWLSNRRWLNPNVLSPKAVQNLLPMVDTVARDFSEALKQKVLQSAQGSLTMDMQPDIHKYTVEVSNFALFGERLGLFGCNPSSQSLKFIHALEAVFKTTTQLMFLPRSLSRWMRSQAWKEHFEAWDYISEYAENRIQKKYEELARGCSQYNSIVANLMLQGNLPLRAMKANIMDLVAGSVDTTA... | 0 |
15,237 | 76,679 | UN | 76,679 | Q7KW39 | [H]C(=O)CS(=O)(=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.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[... | 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.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=CCS(=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]1O... | MSLVRLIGAEARHLAKRSYSSAAPTTKLFIDGKFVESKTNEWIDVHDPATNQVVTRVPKATQAEMQAALESNKKAFRSWSNQSILTRQQVMFKLQALIKENMGELAKNITKEQGKTLADAEGDVLRGLQVVEHCCSIPSLQMGETVANVARDMDTYSLVLPLGVTAGVAPFNFPAMIPLWMFPVAITTGNTMLLKPSERVPGATMLLMELLNEAGCPPGVVNVIHGQHDAVNFICDAPEIKAVSFVGSDQAGKYIYERAGKNGKRVQSNMGAKNHGIILGDANKENTLNQLAGAAFGAAGQRCMALSTAVFVGDAQAWIP... | 0 |
15,238 | 80,259 | UN | 80,259 | D5DIV9 | 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.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=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-].NC1=NC=NC2=C1N=CN... | 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.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>>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.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]... | MINKQLLKKRFNNHAKTYDAYADVQKSMAHQLINQLSTNFFNQEIAILEIGCGTGYLTQLLCKKFPKAAITAVDLSSGMIELAKKKVTEDRVSLICGDIEELSIERQYDLIISNATFQWFNSLHTTIKKLYKQLKPAGSLLFSTFGNGTFQELHSCYSHAKQKLGLFSNSSPGQSFFSLEELSQICEQALVPLREHPFKLSKMEKLEVQYFPTVQAFFTSIKKIGASNSNEESYCQRPSFFRQLINLYENNHRDENGVKVTYHCLMFNITKTNQ | 0 |
15,239 | 78,815 | UN | 78,815 | Q8BML1 | [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 | MGENEDEKQAQASQVFENFVQATTCKGTLQAFNILTCLLDLDPLDHRNFYSQLKSKVNTWKAKALWHKLDKRGSHKEYKRGKACSNTKCLIVGGGPCGLRTAIELAYLGAKVVVVEKRDTFSRNNVLHLWPFTIHDLRGLGAKKFYGKFCAGSIDHISIRQLQLILFKVALMLGVEVHVNVEFVRVLEPPEDQENQKVGWRAEFLPADHALSDFEFDVIIGADGHRNTLEGFRRKEFRGKLAIAITANFINRNSTAEAKVEEISGVAFIFNQKFFQDLKEETGIDLENIVYYKDSTHYFVMTAKKQSLLDKGVILNDYID... | 0 |
15,240 | 50,340 | UN | 50,340 | P0A517 | [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 | MGLNTAIATRVNGTPPPEVPIADIELGSLDFWALDDDVRDGAFATLRREAPISFWPTIELPGFVAGNGHWALTKYDDVFYASRHPDIFSSYPNITINDQTPELAEYFGSMIVLDDPRHQRLRSIVSRAFTPKVVARIEAAVRDRAHRLVSSMIANNPDRQADLVSELAGPLPLQIICDMMGIPKADHQRIFHWTNVILGFGDPDLATDFDEFMQVSADIGAYATALAEDRRVNHHDDLTSSLVEAEVDGERLSSREIASFFILLVVAGNETTRNAITHGVLALSRYPEQRDRWWSDFDGLAPTAVEEIVRWASPVVYMRR... | 0 |
15,241 | 82,336 | LR | 82,335 | Q8IV08 | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)([O-])[O-].[H]O[H]>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P([O-])([O-])O | null | *O[C@H]1C[C@H](*)O[C@@H]1COP(=O)(O)O.O>>*O[C@H]1C[C@H](*)O[C@@H]1CO.O=P(O)(O)O | MKPKLMYQELKVPAEEPANELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLDFPNASTGNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLRQLQTLAPKGVNVRIAVSKPSGPQPQADLQALLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRFYDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDNARS... | 1 |
15,242 | 80,651 | UN | 80,651 | P48448 | [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 | MKDEPRSTNLFMKLDSVFIWKEPFGLVLIIAPWNYPLNLTLVLLVGALAAGSCVVLKPSEISQGTEKVLAEVLPQYLDQSCFAVVLGGPQETGQLLEHKLDYIFFTGSPRVGKIVMTAATKHLTPVTLELGGKNPCYVDDNCDPQTVANRVAWFCYFNAGQTCVAPDYVLCSPEMQERLLPALQSTITRFYGDDPQSSPNLGHIINQKQFQRLRALLGCSRVAIGGQSNESDRYIAPTVLVDVQETEPVMQEEIFGPILPIVNVQSVDEAIKFINRQEKPLALYAFSNSSQVVNQMLERTSSGSFGGNEGFTYISLLSVP... | 0 |
15,244 | 62,564 | UN | 62,564 | P0C565 | [H][C@@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>C=C(C)[C@@H]1CC=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 | MACSSSLSSKWASWGASSRPHPSVQPFVTRKNVVRYHKPTSELSYSPLTTTLSSNLDSQFMQVYETLKSELIHDPSFEFDDDSRQWVERMIDYNVPGGKMVRGYSVVDSYQLLKGEELTEDEAFLACALGWCTEWLQAFILVLDDIMDGSHTRRGQPCWFRLPEVGVVAINDGVLLRNHVHRILKKYFQGKPYYVHLLDLFNETEFQTISGQMIDTICRLAGQKDLSKYTMTLNRRIVQYKGSYYSCYLPIACALLMFGENLEDHVQVKDILVELGMYYQIQNDYLDTFGDPDVFGKTGTDIEECKCSWLIAKALELANE... | 0 |
15,245 | 77,083 | UN | 77,083 | Q9GMC7 | CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.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>>CC1CCC2C3(C)OC4(C)CC(O)C12CC4C3[NH2+]CCCCC[NH+](C)C.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 | CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3.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>>CC1CCC2C3(C)OC4(C)CC(O)C12CC4C3NCCCCCN(C)C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MWLLLAVFLLTLAYLFWPKTKHSGAKYPRSLPSLPLVGSLPFLPRRGQQHKNFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLALNAFALFKDGNLKLEKIINQEANVLCDFLATQHGEAIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLSKEVLLDIFPVLKIFPSKAMEKMKGYVQTRNELLNEILEKCQENFSSDSITNLLHILIQAKVNADNNNAGPDQDSKLLSSRHMLATIGDIFGAGVETTTSVIKWIVAYLLH... | 0 |
15,246 | 82,179 | UN | 82,179 | Q96493 | 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... | MSPVSHVAVLAFPFGTHAAPLLTLVNRLAASAPDIIFSFFSTSSSITTIFSPTNLISIGSNIKPYAVWDGSPEGFVFSGNPREPIEYFLNAAPDNFDKAMKKAVEDTGVNISCLLTDAFLWFAADFSEKIGVPWIPVWTAASCSLCLHVYTDEIRSRFAEFDIAEKAEKTIDFIPGLSAISFSDLPEELIMEDSQSIFALTLHNMGLKLHKATAVAVNSFEEIDPIITNHLRSTNQLNILNIGPLQTLSSSIPPEDNECLKWLQTQKESSVVYLSFGTVINPPPNEMAALASTLESRKIPFLWSLRDEARKHLPENFIDR... | 0 |
15,247 | 77,755 | UN | 77,755 | Q2A1K3 | C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=O)[O-].[H+].[H+]>>C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H]O[H].[H]O[H] | null | C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)C(=O)O>>C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.O.O | MSDIKNITKLQIEDKGKKYSLYSLKKLSQELGKDVTRLPYSIRVLLENQLRNIDGYKVKEDDMHKVLDWDAKASSRPEIPHMPARVVMQDFTGVPAVVDLAAMRKAIKDAGGDADKINPLVDTAMVIDHSVQVDFYGTKTALAQNVAKEFERNGERYSLLKWAQKAFDDFIVVPPGMGIIHQVNLEYLAKDALVKNINGEDVIYPDTLVGTDSHTTMINGVGAVGWGVGGIEAEAVMLGQPYYMVLPDVVGVKFTGKLKTGVTATDLVLKVTEVLRKHGVVGKFVEYYGEGLESLSLPDRATIANMTPEYGATIGFFPVD... | 0 |
15,248 | 77,651 | UN | 77,651 | P0AFG4 | 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 | MQNSALKAWLDSSYLSGANQSWIEQLYEDFLTDPDSVDANWRSTFQQLPGTGVKPDQFHSQTREYFRRLAKDASRYSSTISDPDTNVKQVKVLQLINAYRFRGHQHANLDPLGLWQQDKVADLDPSFHDLTEADFQETFNVGSFASGKETMKLGELLEALKQTYCGPIGAEYMHITSTEEKRWIQQRIESGRATFNSEEKKRFLSELTAAEGLERYLGAKFPGAKRFSLEGGDALIPMLKEMIRHAGNSGTREVVLGMAHRGRLNVLVNVLGKKPQDLFDEFAGKHKEHLGTGDVKYHMGFSSDFQTDGGLVHLALAFNP... | 0 |
15,249 | 76,091 | UN | 76,091 | O43174 | 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 | MGLPALLASALCTFVLPLLLFLAAIKLWDLYCVSGRDRSCALPLPPGTMGFPFFGETLQMVLQRRKFLQMKRRKYGFIYKTHLFGRPTVRVMGADNVRRILLGEHRLVSVHWPASVRTILGSGCLSNLHDSSHKQRKKVIMRAFSREALECYVPVITEEVGSSLEQWLSCGERGLLVYPEVKRLMFRIAMRILLGCEPQLAGDGDSEQQLVEAFEEMTRNLFSLPIDVPFSGLYRGMKARNLIHARIEQNIRAKICGLRASEAGQGCKDALQLLIEHSWERGERLDMQALKQSSTELLFGGHETTASAATSLITYLGLYP... | 0 |
15,250 | 74,167 | UN | 74,167 | O87388 | [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 | MRYSALSILLNGLRGNRNWAPAWRQPDPKPHYDVIIVGGGGHGLATAYYLAKEFGITNVAVLEKNYIGSGNVGRNTTIIRSNYLLPGNNPFYELSMKLWEGLEQDFNFNAMVSQRGVLNLFHSDAQRDAYTRRGNAMRLHGVDAELLYRAAVRKMLPFLDFDNARFPIQGGLLQRRGGTVRHDAVAWGYARGADSRGVDIIQNCEVTGIRRENGRVIGVETSRGFIGCAKLALAAAGNSSQVAEMAGLRLPIESHVLQAFVSEGLKPFIDGVVTFGAGHFYVSQSDKGGLVFGGDIDGYNSYAQRGNLATVEHVAEAGKA... | 0 |
15,251 | 66,956 | UN | 66,956 | D7GDZ9 | 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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.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)... | 2.4.1.378 | 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]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.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)[n... | MRVGLVCPYSFARPGGVQNHVLGLGGWLKEQGHDVSIIAPGQASRSLLAETGLVPSEFVSAGRAVPVTFNGSVARINFGVGPALKVKKWLDQGNFDVVHLHEPIAPTICLLALYLTDRPVTATFHTATPELTAIRFANRVLPRMVSRIDAAIAVSSEAADVAHHYSGVNPVVIGNGIHLADYPLVRATSRWRGGEHPLITFLGRYDEPRKGFEVLTAALPLVRATYPDLEVVVIGSGTARSVEGVRFLGGLDDEERNAWLGRSDIYIAPQTGRESFGIVLLEAMACGAPVVAANLRAFLDVLTDDEGLVGHTFRVGNSAS... | 0 |
15,252 | 78,979 | UN | 78,979 | Q93YV0 | 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=C(/C)CC[C@]13C(=C(C)CC[C@@H]2C(C)C)CC[C@H]3C.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.223 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C[C@H]2[C@@H](C(C)C)CCC(C)=C3CC[C@@H](C)[C@@]32CC1.O=P(O)(O)OP(=O)(O)O | MKSSYGSSSNDLHAFVNEIKGEIQLSNINLDPYSFVSPSAYDTAWLSMIEEDINVDDNELKPMFQGCLDWIMCNQNAREGFWMNSTSYTTVADGRDEDGEKDMCILTSTLACVVALQKWNIGCFHLHKGTRYIERNTEMIIGKYINEEGSYPRWFAIKFTGILELAQKLGLHFVFSSRCIEMIKGMFYQRQEIIQREKLVHDCNYKPLLAYLEVLPSKLYVTNQEDIIVKSLDSMDGSLFQSPSATASAFMLTRNTKCLAYLQNLVQKCPNGVPQKYPLNEDLIKLSMVNLIESTGLGEFFGIEIEHVLEQVYSRYEEKD... | 0 |
15,253 | 46,772 | UN | 46,772 | Q55406 | *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 | MLNPLNIEYLYLSKLFDNSLIVFNKRQLFRFFVRFFFMTAALPNDSKPKLTPAWTVIFFFTSIHLVALLAFLPQFFSWKAVGMAFLLYVITGGIGITLGFHRCISHRSFNVPKWLEYIFVICGTLACQGGVFEWVGLHRMHHKFSDTTPDPHDSNKGFWWSHIGWMMFEIPAKADIPRYTKDIQDDKFYQFCQNNLILIQVALGLILFALGGWPFVIWGIFVRLVFVFHFTWFVNSATHKFGYVSHESNDYSRNCWWVALLTFGEGWHNNHHAYQYSARHGLQWWEVDLTWMTIKFLSLLGLAKDIKLPPETAMANKA | 1 |
15,254 | 49,412 | UN | 49,412 | G5EE06 | 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... | MKHNTLRAVFQFSFFIGICTFIMIAGYSYQINYNQRMGIFYGGNITFKKVPKVVIYTATPFFDVPIENSILRDCSEKIKNSCTVTSNNKTFPIADAIVFHSRDINETKLSFFNKNRRYDIPYIMMAMENPFFAGLTVYHNFFNWTMTYRTDSDIFHPYGAFVKSYVPAEVNYSEIWNSKTKETLWMVSNGNAQNKRKELVEKLIKKGMSIDLYGQLYKKEPAECPRRRGPPGCDVKFHSPYKFAIAFENSNCKDYVTEKFWKKAGIYKTVPIVMSRKIYRDLGIPDSMYIAVDDYPNLEEFVHHIQNVTSNEEEYMKYHK... | 0 |
15,255 | 81,375 | UN | 81,375 | O80325 | *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 | MGITGMIYIVTMVFSLIVLILSSSTVGYDYFQFTQQYQPAVCNSKPTPCKDPPDKLFTVHGLWPSNLNGPHPENCTNATVNPHRIKNIQAQLKIIWPNVLDRTNHVGFWNKQWIKHGSCGYPAIMNDTHYFQTVINMYITQKQNVSEILSKAKIEPLGIQRPLVHIENAIRNSTNNKKPKFKCQKNSGVTELVEVGLCSDGSLTQFRNCPHPPPGSPYLCPADVKY | 0 |
15,256 | 55,904 | UN | 55,904 | A0A0U2JT80 | [NH3+][C@@H](CC1=CNC2=C1C=CC=C2Cl)C(=O)[O-].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.[Cl-].O=O>>[NH3+][C@@H](CC1=CNC2=C1C=CC(Cl)=C2Cl)C(=O)[O-].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]... | 1.14.19.60 | 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.Cl.N[C@@H](Cc1c[nH]c2c(Cl)cccc12)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)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C.N[C@@H](Cc1... | MEAQVPLSTDILVIGGGPAGSYAAAVLAREGFKVVLLEKDVFPRYHIGESMLPSCRPFLRFIDFEEKMKNYGFFPKPGAALKLNQDKREGYTDFTANGPDNAAWNVVRSEFDDLLLRHAAELGVHVYEGVQVEKIHFSPDESTRPVSLAWSKGDGTQGDVSFNWLVDASGRNGIMSTRYLKNRTFNKSLKNVAVWGYWTGAGRYAPGTKRENAPWFEALTDETGWAWFIPLHNGATSVGVVLAEDESKRKKAQHRAESNGKSLSEVQHDCYMADLQRAPGLIQLLGSEAKFEGKLMSAGDYSYHASEYAGSHFRIAGDAG... | 0 |
15,257 | 23,044 | UN | 23,044 | P32452 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MASKTLRVLFLGPKGTYSHQAALQQFQSTSDVEYLPAASIPQCFNQLENDTSIDYSVVPLENSTNGQVVFSYDLLRDRMIKKALSLPAPADTNRITPDIEVIAEQYVPITHCLISPIQLPNGIASLGNFEEVIIHSHPQVWGQVECYLRSMAEKFPQVTFIRLDCSSTSESVNQCIRSSTADCDNILHLAIASETAAQLHKAYIIEHSINDKLGNTTRFLVLKRRENAGDNEVEDTGLLRVNLLTFTTRQDDPGSLVDVLNILKIHSLNMCSINSRPFHLDEHDRNWRYLFFIEYYTEKNTPKNKEKFYEDISDKSKQWC... | 0 |
15,258 | 56,372 | UN | 56,372 | Q1RLY6 | 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 | METAFSHPPQSSSSKRKVIAVVGGGLVGSLNACFLAKRGFDVEVYESREDIRQAKVVKGRSINLALSHRGRQALKHVGMEDKIISKGIPMHARMIHNVNGKRSPIPYGKKGQYILSVDRANLNKELLTAAEAYPNTRLNFNHKLHDWSPKTGTMTFIGSDGQKTETQADLIVGCDGAFSAVRKQFLRQSRFNYSQTYIPHGYMELTMPPKDGDFAMEPNYLHIWPRNTFMMIALPNLDRTFTCTLFMPFEDFEKIRTGDELLRFFHKYFPDSVPLIGVEALKQDFFRLPAQAMVSVKCCPYHLFEKCVLMGDAAHAVVPF... | 0 |
15,259 | 82,167 | UN | 82,167 | Q05582 | 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 | MASPIVDCTPYRDELLALASELPEVPRADLHGFLDEAKTLAARLPEGLAAALDTFNAVGSEDGYLLLRGLPVDDSELPETPTSTPAPLDRKRLVMEAMRALAGRRLGLHTGYQELRSGTVYHDVYPSPGAHYLSSETSETLLEFHTEMAYHILQPNYVMLACSRADHENRAETLVGSVRKALPLLDEKTRARLFDRKVPCCVDVAFRGGVDDPGAIANVKPLYGDANDPFLGYDRELLAPEDPADKEAVAHLSQALDDVTVGVKLVPGDVLIIDNFRTTHARTPFSPRWDGKDRWLHRVYIRTDRNGELSGGERAGDTIS... | 0 |
15,260 | 80,959 | UN | 80,959 | P9WQ41 | 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)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O>>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=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.CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)O | MSELAAVLTRSMQASAGDLMVLDRETSLWCRHPWPEVHGLAESVAAWLLDHDRPAAVGLVGEPTVELVAAIQGAWLAGAAVSILPGPVRGANDQRWADATLTRFLGIGVRTVLSQGSYLARLRSVDTAGVTIGDLSTAAHTNRSATPVASEGPAVLQGTAGSTGAPRTAILSPGAVLSNLRGLNQRVGTDAATDVGCSWLPLYHDMGLAFVLSAALAGAPLWLAPTTAFTASPFRWLSWLSDSGATMTAAPNFAYNLIGKYARRVSEVDLGALRVTLNGGEPVDCDGLTRFAEAMAPFGFDAGAVLPSYGLAESTCAVTV... | 0 |
15,261 | 49,236 | UN | 49,236 | Q7A092 | *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 | MMQKLIAQIEKGKPFFEKLSRNIYLRAIRDGFISAMPVILFSSIFLLIAYVPNIFGFKWDKGMEAILMKPYNYTMGLVAFLVAGTTAKSLTDSFNRKLESTNQINFISTMLAAMCGFLFLASDPAKDGGFLSAFMGTKGLLTAFLSAFVTVIVYNFCVKRNITIKMPKEVPPNISQVFKDLIPFSAVIIILYALDLVIRNSFKSNVAEGILKLFEPLFTAADGWIGVTIIFGAFALFWFVGIHGPSIVEPAIAAITYANIEANFKLLQAGEHADKIITSGTQMFIVTFGGTGATLVVPFMFMWMTKSKRNKAIGRASVVP... | 0 |
15,262 | 74,523 | UN | 74,523 | A4FV98 | [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 | MADSRPDPESEPDSVFPREVGLFADCYSEKSRFCFCGHVLNITENFGSRLGVAARVWDAALSLCNYFESQNVDFRGKKVIELGAGTGIVGILAALQGGDVTITDLPLVLEQIQGNVQANVPPGGRAQVRALSWGIDQHVFPGDYDLVLGADIVYLEPTFPLLLGTLRHLCGPHGTIYLASKMREEHGTESFFQHLLPQHFQLELAQRDEDENVNIYRARHRGPRPA | 0 |
15,263 | 79,219 | UN | 79,219 | Q05581 | CSC1=NC(CCC(=O)[O-])=C(O)N1.[H]O[H]>>O=C([O-])CCC1NC(=O)NC1=O.CS | null | CSc1nc(CCC(=O)O)c(O)[nH]1.O>>CS.O=C(O)CCC1NC(=O)NC1=O | MTSVDCTAYGPELRALAARLPRTPRADLYAFLDAAHTAAASLPGALATALDTFNAEGSEDGHLLLRGLPVEADADLPTTPSSTPAPEDRSLLTMEAMLGLVGRRLGLHTGYRELRSGTVYHDVYPSPGAHHLSSETSETLLEFHTEMAYHRLQPNYVMLACSRADHERTAATLVASVRKALPLLDERTRARLLDRRMPCCVDVAFRGGVDDPGAIAQVKPLYGDADDPFLGYDRELLAPEDPADKEAVAALSKALDEVTEAVYLEPGDLLIVDNFRTTHARTPFSPRWDGKDRWLHRVYIRTDRNGQLSGGERAGDVVAF... | 0 |
15,264 | 50,340 | UN | 50,340 | A0R4R3 | [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 | MATETVGIREIDTGALPDRYARGWHCLGPVKNFSDGKPHSVNIFGTKLVVFADSKGELNVLDAYCRHMGGDLSKGTVKGDEVACPFHDWRWGGDGKCKLVPYAKRTPRLARTRSWHTDVRGGLLFVWHDHEGNPPQPEVRIPEIPEWHSGEWTDWKWNSMLIEGSNCREIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVNDLGTAYGEAKLDSEASYFGPSFMINWLHNTYGEFKAESILINCHYPVTQDSFVLQWGVIVEKPKGLDDATTEKLADAFTEGVSKGFLQDVEIWKHKTRIDNPLLVEE... | 0 |
15,265 | 80,255 | UN | 80,255 | Q8Y5H2 | 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.... | MAKEKIVLAYSGGLDTSVAIQWLVESGYEVIACCLDVGEGKNLDFIKEKAITVGASESYTIDAKEEFAEDFALIALQAHAYYEGKYPLISALSRPLIAKKLVEVARQEGASAIAHGCTGKGNDQVRFEVAIHALAPDLKVVSPVRDWKWSREEEINYAKEHDIPVPIDLDNPFSIDQNLWGRSNECGVLENPWTTPPEAAYDLTVSLEDAPDTADIVEITFDAGIPISLNGENMSLANLILTLNEIAGKHGVGRIDHIENRLVGIKSREVYECPAAVTLITAHKELEDLTFVREVAHFKPIIEQKISETIYNGLWFSPLT... | 0 |
15,266 | 80,639 | UN | 80,639 | Q9F6X5 | [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 | MRLAYWMYEGTAHHGVGRIANSMRNVHAVFHAPQGDDYVNAIFAMLDRTPNFPAMTTSVVSGTDLARGTIRLPDTLRQVEERVHPDLIVVVASCSTILLQENLEIAAQHAGLQCEVMVYDANPYRMQEIVAAESLFTDLVKRFAKPQPRTERPTVNILGPASLGFHARHDLISLRRMLKTLGLEVNVVAPWGASIADLRRLPAAWLTIAPYRELGLRAAIYLEEQFGVPALLDAPIGVQPTLRWIERLRELLAQAGADVPMPPLTAFSLDGMSAPSAVPWFARTADMDSFSGKPAFVFGDATHVVGVTRFLRDELGMPIA... | 0 |
15,267 | 23,044 | UN | 23,044 | A0Q994 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)N(O)O.[H+]>>[H]/C(CC1=CC=C(O)C=C1)=N\O.O=C=O.[H]O[H] | null | O=C(O)[C@H](Cc1ccc(O)cc1)N(O)O>>O.O/N=C/Cc1ccc(O)cc1.O=C=O | MARIAYLGPEGTFTEAALRQITAAGLVPGQGADGVRPTPVDGTPAALDAVRDGAADYACVPIENSIDGSVTPTLDSLAIGSPLQVFAETTLDVAFSIVVKPGLSAADVRTLAAIGVAAAQVRQWVAANLAGAQLRPAYSNADAAQQVAEGRADAAVTSPLAAARWGLDTLADGVVDEPNARTRFVLVGPPAPPPARTGADRTSVVLRIDNAPGALLAALAEFGIRGIDLTRIESRPTRTGLGIYRFFADCVGHIDDEPVAEALKALHRRCADVRYLGSWPTGTPAGALPPSTEEAVRWLAAVRDGKPEPPGESRR | 0 |
15,268 | 80,955 | UN | 80,955 | Q7TVK7 | *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 | MVSLSIPSMLRQCVNLHPDGTAFTYIDYERDSEGISESLTWSQVYRRTLNVAAEVRRHAAIGDRAVILAPQGLDYIVAFLGALQAGLIAVPLSAPLGGASDERVDAVVRDAKPNVVLTTSAIMGDVVPRVTPPPGIASPPTVAVDQLDLDSPIRSNIVDDSLQTTAYLQYTSGSTRTPAGVMITYKNILANFQQMISAYFADTGAVPPLDLFIMSWLPFYHDMGLVLGVCAPIIVGCGAVLTSPVAFLQRPARWLQLMAREGQAFSAAPNFAFELTAAKAIDDDLAGLDLGRIKTILCGSERVHPATLKRFVDRFSRFNL... | 0 |
15,269 | 78,972 | LR | 78,971 | P22349 | 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 | MDIKDENIIEITTELSSEFEVAKELRKYPKDTVIIKNVKGYDLPIISGICNTREKIAKSINCEVSEITQKIIEASDNPIKVDKFTDFSDYNTTEANLDKIPILTHYKRDGGKYITAGVVFARDPETGIQNASIHRMLVLDDKRLVIRIVPRNLYTYFQKAQKLGKDLEIAIAIGMDPAILLASTTSIPIDYNEMDVANAFKNGELTLIKCGDLEVPQADIILEGKISVSETSAEGPFVDLTDTYDIIRDQPIINLSKMHIKKDNPHYHGILSAGFEHKLLQGLPQEPRIFKSVKNAVPTVENVVLTEGGCCWLHAAISIN... | 1 |
15,270 | 77,183 | UN | 77,183 | Q2GI92 | O=C[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.C[C@@H](O)[C@H]([NH3+])C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H]([NH3+])C(=O)[O-])O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[H]C(C)=O | null | C[C@@H](O)[C@H](N)C(=O)O.O=C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O>>CC=O.N[C@H](C(=O)O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | MINIHFSNNLCKQFHRGIKGHDIVNDLFPKLKNETIAAKVNGELYDLSREIIENCTFEVITINSEEGLEIIRHDTAHIMAQAVKEMFPDVQITIGPTIKDGFYYDFATNHNFSSDDLEIIEKKMIEIINKNESFIREVWSREEAIKFFSSIGEDYKVKIISNIPSNENITVYKQGSFTDLCRGPHAPSTKTSRAFKLTKVSGSYWQGNSNNERLQRIYGTAWRNEEELKLYLNNLIEAEKRDHRKIGRELELFHIQNEACGQIFWHTKGWTIYRIIENYIRKKLENNGYIEVKTPILLNKELWEKSGHWDKFRENMFLSE... | 0 |
15,271 | 13,961 | UN | 13,961 | A1WXI6 | 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)... | MSNGSVPVSGIGGRGDGEGSSQVHMESTGGMDRAKVFAVYGKGGIGKSTTSSNLAVAFSQLGKRVLQIGCDPKHDSTFTLTKRLVPTVIDSLEEVDFHMEELRPEDYVYEGYNGVLCVEAGGPPAGTGCGGYVVGQTVKLLKQHHLLEETDVVIFDVLGDVVCGGFAAPLQHADQALIVTANDFDSIFAMNRIAGAIQAKAKNYKVRLGGVIANRSERTDQIDRINERIGLRTLAHVPNYDVVRRSRLHKSTLFELEEQSEELERVRDEYLSLAAALWNGVDPLSPSPLKDREVFDLLGFD | 0 |
15,272 | 80,983 | UN | 80,983 | A7ZXA4 | [H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.[H]O[H]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C.O=P([O-])([O-])O.[H+] | null | CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O>>CC1=C(COP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1.O=P(O)(O)O | MARLAAFDMDGTLLMPDHHLGEKTLSTLARLRERDITLTFATGRHALEMQHILGALSLDAYLITGNGTRVHSLEGELLHRDDLPADVAELVLYQQWDTRASMHIFNDDGWFTGKEIPALLQAFVYSGFRYQIIDVKKMPLGSVTKICFCGDHDDLTRLQIQLYEALGERAHLCFSATDCLEVLPVGCNKGAALTVLTQHLGLSLRDCMAFGDAMNDREMLGSVGSGFIMGNAMPQLRAELPHLPVIGHCRNQAVSHYLTHWLDYPHLPYSPE | 0 |
15,273 | 82,567 | UN | 82,567 | Q1LZ86 | 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 | MDLDVVNMFVIAGGTLALPILAFVASFLLWPSALIRIYYWYWRRTLGMQVRYVRHEDYQFCYSFRGRPGHKPSILMLHGFSAHKDMWLSMVKFLPKNLHLVCVDMPGHEGTTRSSLDDLSIDGQVKRIHQFVECLKLNKKPFHLVGTSMGGHVAGVYAAHYPSDVCSLSLVCPAGLQYSTDNKFVQRLKELQESAAVEKIPLIPTTPKEMSEMLQLCSYVRFKVPQQILQGLVDVRIPHNTFYRKLFLEIVSEKSRYSLHQNMDKIKVPTQIIWGKQDQVLDVSGADMLAKSIANSQVELLENCGHSVVMERPRKTAKLL... | 0 |
15,274 | 65,820 | UN | 65,820 | Q9SZ42 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)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)CCCCCCCCC)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 | MAVSLPTKYPLRPITNIPKSHRPSLLRVRVTCSVTTTKPQPNREKLLVEQRTVNLPLSNDQSLQSTKPRPNREKLVVEQRLASPPLSNDPTLKSTWTHRLWVAAGCTTLFVSLAKSVIGGFDSHLCLEPALAGYAGYILADLGSGVYHWAIDNYGDESTPVVGTQIEAFQGHHKWPWTITRRQFANNLHALAQVITFTVLPLDLAFNDPVFHGFVCTFAFCILFSQQFHAWAHGTKSKLPPLVVALQDMGLLVSRRQHAEHHRAPYNNNYCIVSGAWNNVLDESKVFEALEMVFYFQLGVRPRSWSEPNSDWIEETEISN... | 0 |
15,275 | 78,483 | UN | 78,483 | Q8RKI6 | [NH3+]C(CCP(=O)([O-])O)C(=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>>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.O=P([O-])([O-])OP(=O)([O-])O | null | NC(CCP(=O)(O)O)C(=O)O.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>>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.O=P(O)(O)OP(=O)(O)O | MKKVITYGTFDLFHYGHMKLLERAKNLGDYLIVGLSTDEFNLQKQKKSHHSYEHRKFILETIDLVNEVIPEKNWEQKISDIQKHDIDTFVIGDDWKGKFDFLKEYCEVIYLPRTDGISTTQIKKDMASL | 0 |
15,276 | 76,683 | UN | 76,683 | Q122H7 | 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)... | MKIHEYQGKEILRNFGVPVPRGIPAFTVQEAVEAAQKLGGPVWVVKAQIHAGGRGKGGGVKVAKTIDDVKRIAGEILGMQLKTHQTGPEGQKVRRLYIEDGADIQKEYYVSAVTDRESQKVAFIASSEGGMDIEEVAHSNPEKIIKVFVDPLVGMTDAQAKEVAAGIGMPADSVAQTVDVLQKLYKCYMETDASLVEINPLNRNSKGEIMALDAKFNFDANALFRHPEIVAYRDLDEEDPAEVEASKFDLAYISLDGNIGCLVNGAGLAMATMDTIKLFGGEPANFLDVGGGATAEKVTEAFKIMLKNPEVKGILVNIFG... | 0 |
15,277 | 75,259 | UN | 75,259 | I1S2K2 | 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 | MHFNTLTCVLVGLVAHTSAVPTKREAVNSCLTQAKVPTDAQGSQSWKEDGTAYNLRLPFEPAAIAVPTTVAQVSAAVECGAKHGVAISAKSGGHSYTSLGFGGEDGHLMIELDRMYSVKLAKDGTAKIQPGARLGHVATELWNQGKRALAHGTCPGVGLGGHALHGGYGMVARKHGLTLDLMIGATVVLPTGKVVHCSKTENSDLFWGIRGAGANFGVVVELEFQTFAAPEKITYFDIGLNWDQNTAPQGLYDFQEFGKGMPAEITMQMGVSKNGYSVDGAYIGDEASLRKALQPLVQKFGGVQVTATTVDWMGLVTHFA... | 0 |
15,278 | 76,543 | UN | 76,543 | Q86I22 | CC(=O)N[C@@H](CSC(CC(=O)[O-])C(=O)[O-])C(=O)[O-]>>CC(=O)N[C@@H](CS)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-] | null | CC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O>>CC(=O)N[C@@H](CS)C(=O)O.O=C(O)/C=C/C(=O)O | MNKFWETGRKIVAVGRNYAQHAKELGNEIPSEPFFFLKPTSSYLLQGTGPIEIPLESSDIHHEVELGIVIGKKGRDIDLKSAMDYVSGYTLALDMTSRDQQSIAKAKSLPWTVSKGYDTFCPISGFIPKDKIKDLNNVELWCSVDGQIKQKGNTNQMIFDVPHLIQYISSIMTLESGDLILTGTPSGVGPVKPGQVIKCGITGLDTDMQFDIILRKRN | 0 |
15,279 | 78,819 | UN | 78,819 | Q6LX26 | 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 | MESYIQNLFAERIGGKSFGKEDVIYKFEKIKRAKQAAKLKYPDMELIDMGVGEPDEMADESVVEVLCEEAKKHVNRGYSDNGVQALKDEIPIYLEKIFGVKDLDPVNEVVHSIGSKPALAYITSVFINPGDVTLMTVPGYPVTATHTKWYGGSVETLPLLEKNNFLPELDAISKEVRENAKILYLNYPNNPTGAQATKKFYKEAVDFAFENDLIVIQDAAYAALTYGDKPLSFLSVKDAKEVGVEIHSFSKAYNMTGWRLAFVAGNELIVRGFAAVKDNYDSGQFIPIQKAGIHCLRHPEITEKTRAKYERRLSKMVKIL... | 0 |
15,280 | 77,231 | UN | 77,231 | P97687 | 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 | MEDIKDSKVKRFCSKNILIILGFSSVLAVIALIAVGLTHNKPLPENVKYGIVLDAGSSHTNLYIYKWPAEKENDTGVVQLLEECQVKGPGISKYAQKTDEIAAYLAECMKMSTERIPASKQHQTPVYLGATAGMRLLRMESKQSADEVLAAVSRSLKSYPFDFQGAKIITGQEEGAYGWITINYLLGRFTQEQSWLNFISDSQKQATFGALDLGGSSTQVTFVPLNQTLEAPETSLQFRLYGTDYTVYTHSFLCYGKDQALWQKLAQDIQVSSGGILKDPCFYPGYKKVVNVSELYGTPCTKRFEKKLPFNQFQVQGTGD... | 0 |
15,281 | 77,183 | UN | 77,183 | O50584 | O=C[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.C[C@@H](O)[C@H]([NH3+])C(=O)[O-]>>[H][C@]1([C@@H](O)[C@H]([NH3+])C(=O)[O-])O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[H]C(C)=O | null | C[C@@H](O)[C@H](N)C(=O)O.O=C[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O>>CC=O.N[C@H](C(=O)O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O | MTDQSQQFASDNYSGICPEAWAAMEKANHGHERAYGDDQWTARAADHFRKLFETDCEVFFAFNGTAANSLALSSLCQSYHSVICSETAHVETDECGAPEFFSNGSKLLTARSEGGKLTPASIREVALKRQDIHYPKPRVVTITQATEVGSVYRPDELKAISATCKELGLNLHMDGARFSNACAFLGCTPAELTWKAGIDVLCFGGTKNGMAVGEAILFFNRKLAEDFDYRCKQAGQLASKMRFLSAPWVGLLEDGAWLRHAAHANHCAQLLSSLVADIPGVELMFPVEANGVFLQMSEPALEALRNKGWRFYTFIGSGGA... | 0 |
15,282 | 59,236 | UN | 59,236 | P49354 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]1([C@H](C)CCC=C(C)C)CC[C@@H](C)C2=C1C=C(C)CC2.O=P([O-])([O-])OP(=O)([O-])O | 4.2.3.203 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC(C)=CCC[C@@H](C)[C@@H]1CC[C@@H](C)C2=C1C=C(C)CC2.O=P(O)(O)OP(=O)(O)O | MAATEGVGEAAQGGEPGQPAQPPPQPHPPPPQQQHKEEMAAEAGEAVASPMDDGFVSLDSPSYVLYRDRAEWADIDPVPQNDGPNPVVQIIYSDKFRDVYDYFRAVLQRDERSERAFKLTRDAIELNAANYTVWHFRRVLLKSLQKDLHEEMNYITAIIEEQPKNYQVWHHRRVLVEWLRDPSQELEFIADILNQDAKNYHAWQHRQWVIQEFKLWDNELQYVDQLLKEDVRNNSVWNQRYFVISNTTGYNDRAVLEREVQYTLEMIKLVPHNESAWNYLKGILQDRGLSKYPNLLNQLLDLQPSHSSPYLIAFLVDIYE... | 0 |
15,283 | 76,091 | UN | 76,091 | B2RXA7 | 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 | MISWGLSCLSVLGAAGTTLLCAGLLLGLAQQLWTLRWTLSRDWASTLPLPKGSMGWPFFGETLHWLVQGSRFHSSRRERYGTVFKTHLLGRPVIRVSGAENVRTILLGEHRLVRSQWPQSAHILLGSHTLLGAVGEPHRQRRKVLARVFSRSSLEQFVPRLQGALRREVRSWCAAQRPVAVYQAAKALTFRMAARILLGLQLDEARCTELAHTFEQLVENLFSLPLDVPFSGLRKGIRARDQLYEHLDEAVAEKLQEKQTAEPGDALLLIINSARELGHEPSVQELKELAVELLFAAFFTTASASTSLILLLLQHPAAIT... | 0 |
15,284 | 79,083 | UN | 79,083 | A3MUY9 | C[C@H](CC[NH3+])[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=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>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[... | null | C[C@H](CCN)[C@@H](N)C(=O)NCCCC[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)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(=O)O.N.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]2... | MSTTYIVSDFLINTLLTIKRGVELAGLPPEFYEALEKPKRILVVNIPVKMDDGKIKYFEGYRVQHNDALGPFKGGIRFHPEVTLADDIALAMLMTLKNSLAGLPYGGAKGAVRVDPRRLSRRELEELARGYARAVAPLIGEQLDIPAPDVGTDSQVMAWMVDEYSRLVGRNAPAVFTSKPPELWGNPVREYSTGFGVAVAAREVAKRLWGGIVGKTAAVQGLGNVGRWAAYWLEKMGAKVVAVSDVNGVVYRERGLDVDLIRETKAKGPQLLEMISQKNGVEIVKNPDQIFSLDVDILVPAAIENVVREDNVDGVRARLV... | 0 |
15,285 | 66,716 | UN | 66,716 | A1KIN7 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>O=P([O-])([O-])OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)CS(=O)(=O)[O-] | 2.2.1.14 | O=C[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[C@H](O)CS(=O)(=O)O.O=P(O)(O)OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O | MTAQNPNLAALSAAGVSVWLDDLSRDRLRSGNLQELIDTKSVVGVTTNPSIFQKALSEGHTYDAQIAELAARGADVDATIRTVTTDDVRSACDVLVPQWEDSDGVDGRVSIEVDPRLAHETEKTIQQAIELWKIVDRPNLFIKIPATKAGLPAISAVLAEGISVNVTLIFSVQRYREVMDAYLTGMEKARQAGHSLSKIHSVASFFVSRVDTEIDKRLDRIGSRQALELRGQAGVANARLAYAAYREVFEDSDRYRSLKVDGARVQRPLWASTGVKNPDYSDTLYVTELVAPHTVNTMPEKTIDAVADHGVIQGDTVTGT... | 0 |
15,286 | 78,663 | UN | 78,663 | Q04799 | [H][C@]12CC[C@H]3C(=O)OC4C(=O)C[C@@](C)(CC1(C)C)[C@@]432.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+]>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O... | null | CC1(C)C[C@]2(C)CC(=O)C3OC(=O)[C@@H]4CC[C@@H]1[C@]342.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=O>>CC1(C)C[C@]2(C)CC(=O)O[C@H]3OC(=O)[C@@H]4CC[C@@H]1[C@]342.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)nc... | MAGKRVAVIGAGASGLACIKCCLEEGLEPVCFERTDDIGGLWRFQESPDEGRASIYKSVIINTSKEMMCFSDYPIPDHFPNFMHNSQVLEYFRMYAKEFGLLKYIQFKTTVCSVKKRPDFSTSGQWEVLTECEGKKESAVFDGVLVCTGHHTSAHLPLESFPGIEKFKGQYLHSRDYKNPEKFTGKRVIVIGIGNSGGDLAVEISHTAKQVFLSTRRGAWIMNRVGDHGYPIDILLSSRFSQFLKKITGETIANSFLERKMNQRFDHAMFGLKPKHRALSQHPTVNDDLPNRIISGSVKIKGNVKEFTETAAIFEDGSRE... | 0 |
15,287 | 69,316 | UN | 69,316 | Q93XW5 | 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 | MCPVENKWLKVGQKGAGPGARSSHAMTVVGNKVYCFGGELKPTIHIDNDLYVFDLETQEWSIAPATGEAPFPCFGVSMVTIGSTIYVYGGRDDKRRYNGLHSYDTETNEWKLLAPVEEGLPGRSYHSMAGDDRKVYVFGGVTAKGRVNTLHAYDVVDQKWVEYPAAGEACKGRGAPGLVVVEGRIWVLFGFDGNELGDIHCFDLASEQWKAVETTGDVPAARSVFPAVSYGKYIVIYGGEEEPHELMHMGAGKMSGEVYQLDTETLVWERIVCGNEEEKPSQRGWCAFTKAVKDGEEGLLVHGGNSPTNERLDDLVFWGF... | 0 |
15,288 | 80,883 | UN | 80,883 | Q7ZXR3 | [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.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-]>>C=C1CC[C@H](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@... | null | C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/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](OC(C)=O)C(C)(C)[C@@H]1CC/C(C)=C/CC/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)ncnc32)[C@H](O... | MTTLRAFTCDDLFRFNNINLDPLTETYGIPFYLQYLAHWPEYFIVAEAPGGELMGYIMGKAEGSVAREEWHGHVTALSVAPEFRRLGLAAKLMELLEEISERKGGFFVDLFVRVSNQVAVNMYKQLGYSVYRTVIEYYSASNGEPDEDAYDMRKALSRDTEKKSIVPLPHPVRPEDIE | 0 |
15,289 | 75,255 | UN | 75,255 | O96569 | [H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O=O>>[H][C@@]1(C2=C(O)/C3=C(/C=C/2[O-])OC2=C(C=C(O)C(O)=C2)C3=O)O[C@H](CO)[C@@H](O)C(=O)[C@H]1O.[H]OO[H] | 1.1.3.50 | O=O.O=c1c2cc(O)c(O)cc2oc2cc(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)cc3oc4cc(O)c(O)cc4c(=O)c3c2O)O[C@H](CO)[C@H]1O.OO | VPPHMHGYYPTSVSYPSIVGEMLASGFSIIGFSWICSPACTELEVVVMDWLAKFLKLPEHFLHATEGPGGGVIQGSASEAVLVAVLAAREQAVCRVRASHPELSESDIRGKLVAYSSDQSNSCIEKAGVLAAMPIKLLPAGEDLILRGAALRSAIEQDVTAGLIPVICIATLGTTGTCAYDDVDSLATVCEQYNVWLHVDAAYAGGAFALDECSELRRGLERVDSLNFNLHKFMLVNFDCSAMWLRDANKVVDSFNVDRIYLKHKYEGQTQIPDFRHWQIPLGRRFRALKVWITFRTLGAEGLRAHVRKHIELAKKFEVF... | 0 |
15,290 | 24,060 | UN | 24,060 | O48958 | O=C([O-])[C@H](CC1=CC=C(O)C=C1)NO.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)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 | 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=C(O)[C@H](Cc1ccc(O)cc1)NO.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)N(O)O | MATTATPQLLGGSVPQQWQTCLLVLLPVLLVSYYLLTSRSRNRSRSGKLGGAPRLPPGPAQLPILGNLHLLGPLPHKNLRELARRYGPVMQLRLGTVPTVVVSSAEAAREVLKVHDVDCCSRPASPGPKRLSYDLKNVGFAPYGEYWREMRKLFALELLSMRRVKAACYAREQEMDRLVADLDRAAASKASIVLNDHVFALTDGIIGTVAFGNIYASKQFAHKERFQHVLDDAMDMMASFSAEDFFPNAAGRLADRLSGFLARRERIFNELDVFFEKVIDQHMDPARPVPDNGGDLVDVLINLCKEHDGTLRFTRDHVKA... | 0 |
15,291 | 80,875 | UN | 80,875 | Q10231 | 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 | MEACRVRPELSKTVEQIDKSLWRLNIDSAGGETWEYVTKEEAEKRPLTIAEKYFLGFDLDLPKRPPAKTPLESAEYGYEFFRRLQLPDGHWASPYEGPMFLICGAVFAFYISQTPFPKGWAPEIIQYLINHTNDDGGWGIHTEGVSTVFGTSMNYVVLRILGMDAGHPVATRARNRLHELGGAIGCPHWGKFWLATLNCYDWDGVNPIPPELWLLPDWIPFHPGKWWCHVRLVYLPMGYMYGERLKCPKDSLIMQLRKELYVENYDSINFADHRNTISDVDLYFPHTQILDRLNWILEKYFTYLRPSWLKKLGTRRAYEL... | 0 |
15,292 | 77,231 | UN | 77,231 | Q1CVJ4 | 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 | MVKADMQKRALGRGLSALIPQAGATGAGKGEQAPKAGVLKLPIESIHRDKDQPRTYFDEEKLKELSESIKAQGVLQPILVRKDGDGYRIIAGERRWRASQAAGLKEVPAIVRDVTEVQAFELALVENLQRADLNPIEEAEGYKRLVDEFKLTQEQVSVRVGKERSTVANALRLLALPTDVKGMVADGSLSMGHARALLGVPRLPELQNLAKQVADKKLSVRDTERLVQQSRSSGKKDAGKAAPKQSPQVKALVEELQRRLGTKVRLTERSPGKGTIEVDFFSYDDLDRLLKLLRKE | 0 |
15,293 | 82,167 | UN | 82,167 | A0A386KZ95 | 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 | MTVAINNETVVLTPNEDDVQVNKGKTLETSFPPLKGDDLKWFPRSSLPAEIPAIDIGKVSTKEELEQFLVDIRKSGLFYIVNHGVPEEVSINVYNAFREFISTTTEEERMKYYTDTHFQNGGYVPFQGSSIRGGNLGKPQKDHVVKYFWRGPEVINRTPNEKFTEAHNMHHTETFKVAEKVIRTIFKALKLRFPDFDPMEFENTINSKKMFFTNRIYPQAEPSDEEEITHRLVPHLDTSFITLANQVPADNGFQGLFVETGDGKKVKVPGIRNSYLVFIGQSLSYLTKNYLPSALHGVDKPPSDLFEGSERSSLITFYEP... | 0 |
15,294 | 30,479 | UN | 30,479 | P20816 | CC[C@H](C)[C@H]([NH3+])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](NO)C(=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+].[H+] | null | CC[C@H](C)[C@H](N)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](NO)C(=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 | MGFSVFSPTRSLDGVSGFFQGAFLLSLFLVLFKAVQFYLRRQWLLKALEKFPSTPSHWLWGHNLKDREFQQVLTWVEKFPGACLQWLSGSTARVLLYDPDYVKVVLGRSDPKPYQSLAPWIGYGLLLLNGKKWFQHRRMLTPAFHYDILKPYVKIMADSVSIMLDKWEKLDDQDHPLEIFHYVSLMTLDTVMKCAFSHQGSVQLDVNSRSYTKAVEDLNNLIFFRVRSAFYGNSIIYNMSSDGRLSRRACQIAHEHTDGVIKTRKAQLQNEEELQKARKKRHLDFLDILLFAKMEDGKSLSDEDLRAEVDTFMFEGHDTT... | 0 |
15,295 | 76,435 | UN | 76,435 | Q9LJH5 | 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 | MDQIVNVDEFQELAKQALPKMYYDFYNGGAEDQHTLNENVQAFRRIMFRPRVLVDVSNIDMSTSMLGYPISAPIMIAPTAMHKLAHPKGEIATAKAAAACNTIMIVSFMSTCTIEEVASSCNAVRFLQIYVYKRRDVTAQIVKRAEKAGFKAIVLTVDVPRLGRREADIKNKMISPQLKNFEGLVSTEVRPNEGSGVEAFASSAFDASLSWKDIEWLRSITKLPILVKGLLTREDALKAVEAGVDGIVVSNHGARQLDYSPATITVLEEVVHAVKGRIPVLLDGGVRRGTDVFKALALGAQAVLIGRPIVYGLAAKGEDG... | 0 |
15,296 | 80,291 | UN | 80,291 | O75881 | [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... | MAGEVSAATGRFSLERLGLPGLALAAALLLLALCLLVRRTRRPGEPPLIKGWLPYLGVVLNLRKDPLRFMKTLQKQHGDTFTVLLGGKYITFILDPFQYQLVIKNHKQLSFRVFSNKLLEKAFSISQLQKNHDMNDELHLCYQFLQGKSLDILLESMMQNLKQVFEPQLLKTTSWDTAELYPFCSSIIFEITFTTIYGKVIVCDNNKFISELRDDFLKFDDKFAYLVSNIPIELLGNVKSIREKIIKCFSSEKLAKMQGWSEVFQSRQDVLEKYYVHEDLEIGAHHLGFLWASVANTIPTMFWAMYYLLRHPEAMAAVRD... | 0 |
15,297 | 80,255 | UN | 80,255 | B3ECP2 | 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.... | MSKEKIALAYSGGLDTSVMIKWLKDKYDAEIVAVTGNLGQQKEIENLESKAYSTGASAFRFVDLRKTFVEEYIWRALKAGALYEDVYPLATALGRPLLAKALVDVALEENCTMLAHGCTGKGNDQVRFEVTFASLAPHLKILAPLREWEFTSREAEIAYALEHNIPVSATKKSPYSIDENIWGISIECGVLEDPMVTPPEDAYQITTSPENAPDTPASVEIEFVKGIPVALDGERMSGLDMIQKLNDIGAANGIGRLDMIENRVVGIKSREIYEAPAATILHFAHRELERLTLEKTVFQYKKNISQDYANIIYNGTWFSP... | 0 |
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