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 |
|---|---|---|---|---|---|---|---|---|---|
14,486 | 76,427 | UN | 76,427 | Q6QNI4 | 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 | MKMLEQNPQYLYFFSLFLVTIFLYKWLTLKKTPLKNLPPSPPQYPIIGNLHQIGPDPQASLRDLAQKYGPLMFLKFGTVPVLVVSSADAAREALKTHDLVFADRPYSSVANKIFYNGKDMVFARYTEYWRQVKSICVTQLLSNKRVNSFHYVREEEVDLLVQNLENSHSKVANLTELLIEVTGNVVCRVSVGSGDKVDSYKILILEIMDMLGYSRSIEDFFPLLGWVDWLTGLRGKVAEAAKGVDTFLEGVLKEHLSTTGSKYNDFVSILLEIQEADAGSSMDNECIKSLIWDMLGAGTETISTALEWTLAALIKNPDAM... | 0 |
14,487 | 79,039 | UN | 79,039 | C3L983 | CSC1=NC(/C=C/C(=O)[O-])=CN1.[H]O[H]>>CSC1=NC(CCC(=O)[O-])=C(O)N1 | null | CSc1nc(/C=C/C(=O)O)c[nH]1.O>>CSc1nc(CCC(=O)O)c(O)[nH]1 | MEKVKQTIRAPRGTELQTKGWVQEAALRMLMNNLDPEVAEKPEELVVYGGIGRAARNWESYQAIVDSLKTLESDETLLVQSGKPVAIFKSHEDAPRVLLANSNLVPKWANWDHFRELEKKGLMMYGQMTAGSWIYIGTQGILQGTYETFGEAARQHFGGSLKGTLTLTAGLGGMGGAQPLAVTMNGGVVIAIDVDKRSIDRRIEKRYCDMYTESLEEALAVANEYKEKKEPISIGLLGNAAEILPELVKRNITPDLVTDQTSAHDPLNGYIPVGYTLEEAAKLREEDPERYVQLSKESMTKHVEAMLAMQEKGAITFDYG... | 0 |
14,488 | 80,215 | UN | 80,215 | Q9LVY2 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C | MWRLRIGAKAGDDPHLCTTNNFLGRQIWEFDANAGSPAELSEVDQARQNFSNNRSQYKACADLLWRMQFLREKNFEQKIPRVRIEDAKKITFEDAKNTLRRGIHYMAALQSDDGHWPSENAGCIFFNAPFVICLYITGHLDKVFSEEHRKEMLRYMYNHQNDDGGWGIDVESHSFMFCTVINYICLRIFGVDPDHDGESACARARKWIIDHGGATYTPLFGKAWLSVLGVYEWSGCKPIPPEFWFFPSYFPINGGTLWIYLRDTFMAMSYLYGKKFVAKPTPLILQLREELYPQPYAEIVWSQARSRCAKEDLYYPQSLV... | 0 |
14,489 | 82,199 | UN | 82,199 | Q9LVF0 | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC(O)=CC(=O)O1.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>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC([O-])=C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([... | null | CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)cc(=O)o1.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>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)... | MELESSPPLPPHVMLVSFPGQGHVNPLLRLGKLLASKGLLITFVTTESWGKKMRISNKIQDRVLKPVGKGYLRYDFFDDGLPEDDEASRTNLTILRPHLELVGKREIKNLVKRYKEVTKQPVTCLINNPFVSWVCDVAEDLQIPCAVLWVQSCACLAAYYYYHHNLVDFPTKTEPEIDVQISGMPLLKHDEIPSFIHPSSPHSALREVIIDQIKRLHKTFSIFIDTFNSLEKDIIDHMSTLSLPGVIRPLGPLYKMAKTVAYDVVKVNISEPTDPCMEWLDSQPVSSVVYISFGTVAYLKQEQIDEIAYGVLNADVTFLW... | 0 |
14,490 | 56,356 | UN | 56,356 | P79383 | O=C([O-])C1=CC(Br)=C(O)C=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=C(Br)C=C(Br)C=C1.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1ccc(Br)cc1Br | MTALGITVALLVWLVTLLLISIWKHIHSSWKLPPGPFPLPIVGNIFQLDLKNIPKSFTMLAERYGPVFTVYLGSRRIVVLHGYKAVKEVLLHYKNEFSGRGEIPTFQVHKDKGVIFNNGPTWRDTRRFSLTTLRDFGMGKQGNEQRIQREAHFLLEALRKTHGQPFDPTFLIGCAPCNVISDILFRQHFDYNDKTCLRLMSMFNENFYLLSTGWIQLYNNFSGYLRYLPGSHRKLMKNISEIKDYALERVKDHRDSLEPSCPRDFTDTLLMEMEKEKYSAEPIYTLDNIAVTVADMFFAGTETTSTTLRYGLLILMKYPE... | 0 |
14,491 | 78,415 | UN | 78,415 | Q1GZZ0 | 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 | MTIKVLIIDDSALIRSLLTEIINQQPDLEVVGTAPDPLIAREMIKQKNPDVLTLDVEMPKMDGLDFLERLMRLRPMPVVMISSLTERGSEITMRAMELGAVDFVTKPKISIANGMHEYSEMIADKIRAASRARLIARKPLTPVAGGAGLPLVGNPLISSEKLIIIGASTGGTEAIKSFLMQMPSDCPGILITQHMPAGFTQSFANRLNALCKISVQEAKGGERVLPGHAYIAPGHSHLLLARSGANYVTQLDDGPPVSRHRPSVDVLFSSAANNAGKNAIGVILTGMGKDGAEGMLKMKQAGAYNFAQDEASCVVFGMPK... | 0 |
14,492 | 17,809 | UN | 17,809 | Q05593 | 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/C1=[N+]25.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=CC1=C(C)/C2=C/C3=[N+]4C(=CC5=C(CCC(=O)OC)C(C)=C6/C=C7/C(C=C)=C(C)C8=[N+]7[Mg-2]4(N56)N2/C1=C\8)C(CCC(=O)[O-])=C3C.N... | 2.1.1.11 | 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.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=CC1=C(C)C2=[N+]3C1=Cc1c(C)c(CCC(=O)OC)c4n1[Mg-2]31n3c(c(C)c(C=C)c3=C2)=CC2=[N+]1C(=C4)C(CCC(=O)O)=C2C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)... | MNGKLYALSTGPGAPDLITVRAARILGSLDILYAPAGRKGGDSLALSIVRDYLGEQTEVRCCHFPMSADGAEKEAVWNEVAAALTAEVEAGKQVGFITLGDAMLFSTWIFLLQRIGCPEWLEIVPGVTSFAAIAARAKMPLAIERQSLAVISCTAPEAEIAQALQQHDSLVLMKVYGRFARIKALLAQAGLLECALMMSEATLPGEQCWRHLHEVNDDRPLPYFSTILVNKQWEYAE | 0 |
14,493 | 15,681 | UN | 15,681 | Q62BI3 | [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 | MRNAHAPVDVAMIGFGAIGAAVYRAVEHDAALRVAHVIVPEHQCDAVRGALGERVDVVSSVDALACRPQFALECAGHGALVDHVVPLLKAGTDCAVASIGALSDLALLDALSNAADAGGATLTLLSGAIGGIDALAAARQGGLDEVRYIGRKPPLGWLGTPAEAICDLRAMAAEQTIFEGSARDAAQLYPRNANVAATVALAGVGLDATRVCLIADPAVTRNVHRIVARGAFGEMSIEMSGKPLPDNPKTSALTAFSAIRALRNRASHCVI | 0 |
14,494 | 76,447 | UN | 76,447 | A1K7T8 | [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 | MSLEAFSPSRALSIGVELELQLVGTHDYDLVGAADDMLRLTAGLDLPGDIKPEMTDSMIEISTGVCDNHAMVLTQLDGLRAALVDIARRLNVGICGGGTHGFQDWGERRIFDNPRFHYLHELYGYLAKQFTVFGQHVHIGCPGPDAALYLVHGLSRYIPHLIALSASSPFLQGQDTGFQSSRLNAVFAFPLSGRAPFALSWSDFGAYFDKMSATGVVSSMKDFYWDIRPKPEYGTVEVRVMDTPLTVERAAALAAYIQALARYLMVERPIQPREDDYLVYTFNRFQACRFGYAGTYVDPENHTHCSIAEALEASFTRIEQ... | 0 |
14,495 | 81,531 | UN | 81,531 | Q4R3W5 | CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[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>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+] | null | CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[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>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MEENNLQCSSVVDGNFEEVPRETAIQFKPPLYRQRYQFVKNLVDQHEPKKVADLGCGDTSLLRLLKVNPCIELLVGVDINEDKLRWRGDSLAPFMGDFLKPRDLNLTIILYHGSVVERDSRLLGFDLITCIELIEHLDSGDLARFPEVVFGYLSPSMIVISTPNSEFNPLFPSVTLRDSDHKFEWTRMEFQTWALYVANRYDYSVEFTGVGEPPAGAENVGYCTQIGIFQKNGGRATEACVSEQHDQHVYKAVFTTSYPSLQQERFFKLVLVNEVSQQVESLRVSHLPRRKEQDGEQGDKPKDIGGSKAPVPCFGPVFTE... | 0 |
14,496 | 82,179 | UN | 82,179 | A7MAS5 | 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... | MVQHRFLLVTFPAQGHINPSLQFAKRLINTTGAHVTYVTSLSAHRRIGNGSIPDGLTYAPFSDGYDDGFKPGDNVDDYMSELRRRGVQAITDLVVASANEGHPYTCLVYSLLLPWSAGMAHELHLPSVLLWIQPATVFDIYYYYFNGYKDLIRDNTSSGTNNVLPCSIELPGLPLSFTSRDLPSFMVDTNPYNFALPLFQEQMELLERETNPTILVNTFDALEPEALKAIDKYNLIGVGPLIPSAFLDGKDPSDKSFGGDLFQKSKDSSYLEWLNSKPEGSVIYVSFGSISVLGKAQMEEIAKGLLDCGLPFLWVIRDKV... | 0 |
14,497 | 81,379 | UN | 81,379 | Q1C6A6 | *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 | MSHFFAHLSRLKLINRWPLMRNVRTENVSEHSLQVAFVAHALAIIKNRKFNGNLNAERIALLAMYHDASEVITGDLPTPIKYHNPKIAHEYKKIEKVAQQKLIEMLPKELQHDFRCLLDEHYYSEEEKALVKQADALCAYLKCLEELSAGNNEFIQAKARLEKTLAIRQSPEMDYFMAVFVPSFSLSLDEISLDSLD | 0 |
14,498 | 79,431 | UN | 79,431 | Q1JPD2 | CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C | null | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C | MAKLLSCVLGPRLYKIYRERDSERAPSSVPGTPTSVTNPHSSSWDTYYQPRALEKHADSILALASVFWSISYYSSPFAFFYLYRKGYLSLSKVVPFSHYAGTLLLLLAGVACLRGIGRWTNPQYRQFITILEATHRNHSAENKRQLANYNFDFRSWPVDFHWEEPSSRKESRGGPSRRGVALLRPEPLHRGTADTFLNRVKKLPCQITSYLVAHTLGRRMLYPGSVYLLQKALMPVLLQGQARLVEECHGRRAKLLACDGNEIDTMFVDRRGTAEPQGQKLVICCEGNAGFYEVGCVSTPLEAGYSVLGWNHPGFAGSTG... | 0 |
14,499 | 69,272 | UN | 69,272 | P08842 | 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 | MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDFAGKSQHGVYGDAVEEMDWSVG... | 0 |
14,500 | 80,863 | UN | 80,863 | P53609 | CC1=CC(O)=CC(=O)O1.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(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O.Cc1cc(O)cc(=O)o1>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.O=P(O)(O)OP(=O)(O)O | MAATEDERLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLNRCGFRGSSYLGIPFNPSKAPGTAHPYDSGHIAMTYTGLSCLVILGDDLSRVNKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAITYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL... | 0 |
14,501 | 81,103 | UN | 81,103 | Q47SS3 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC=C(C)[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1COP(=O)(O)OP(=O)(O)O | MGLLRIPLYRLYERRLERALSNAPKPRHVGVILDGNRRWARLSGLSSPKEGHRAGAEKIFELLDWCDEVGVQVVTLWLLSTDNLARPPEELEPLFEIIENTVRRLCNEGRRVNPMGALDLLPASTAQVMKEAGTTTERNPGLLVNVAVGYGGRREIADAVRSLLLEEAAKGTTLEELAERLDLDDIAKHLYTRGQPDPDLLIRTSGEQRLSGFLLWQSAHSEFYFCEVFWPAFRKIDFLRALRSYSVRQRRFGC | 0 |
14,502 | 65,820 | UN | 65,820 | O24428 | *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 | MASMVAFRPEAFLCFSPPKTTRSTRSPRISMASTVGPSTKVEIPKKPFMPPREVHVQVTHSMPPQKIEIFKSLEDWAENNILVHLKPVEKCWQPQDFLPDPSSEGFHEEVKELRERSKEIPDGYYVCLVGDMITEEALPTYQTMLNTLDGVRDETGASLTSWAVWTRAWTAEENRHGDLLNKYLYLSGRVDMKQIEKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARHAKEHGDVKLAQICGTIASDEKRHETAYTKIVEKLFEIDPDGTVLSFADMMKKKISMPAHLMYDGQDDNLFEHFSAVAQRLG... | 0 |
14,503 | 76,767 | UN | 76,767 | Q41086 | 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 | MGSTGETQMSPAQILDEEANFALQLISSSVLPMVLKTAIELDLLEIMAKAGPGALLPPSDIASHLPTKNPNAPVMLDRILRLLASYSILICSLRDLPDGKVERLYGLASVCKFLTRNEDGVSVSPLCLMNQDKVLMESWYHLKDAILEGGIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSVHSKMAMKKILETYKGFEGLASLVDVGGGTGAVVSTIVSKYPSIKGINFDLPHVIADAPAFPGVENVGGDMFVSVPKADAVFMKWICHDWSDEHCLTFLKNCYDALPENGKVILVECILPVAPDTSLATKGVMHVDVIML... | 0 |
14,504 | 76,679 | UN | 76,679 | P28810 | [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... | MSVPVRHLIAGAFVEGLGAQRIPVSNPLDNSTLAEIACASAEQVEQAVASARETFASWKETPVSERARVMLRYQALLKEHHDELAKIVSSELGKTFEDAKGDVWRGIEVVEHACNVPSLLMGETVENVARNIDTYSITQPLGVCVGITPFNFPAMIPLWMFPLAIACGNAFILKPSEQVPLTSVRLAELFLEAGAPKGVLQVVHGGKEQVDQLLKHPQVKAVSFVGSVAVGQYVYHTGTAHNKRVQSFAGAKNHMVIMPDADKAQVISNLVGASVGAAGQRCMAISVAVLVGAAREWIPEIRDALAKVRPGPWDDSGASY... | 0 |
14,505 | 30,495 | UN | 30,495 | P27786 | CC(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)[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)[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)[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 | MWELVGLLLLILAYFFWPKSKTPNAKFPRSLPFLPLVGSLPFLPRRGHMHANFFKLQEKYGPIYSLRLGTTTAVIVGHYQLAREVLVKKGKEFSGRPQMVTLGLLSDQGKGVAFADSSSSWQLHRKLVFSTFSLFRDDQKLEKMICQEANSLCDLILTYDGESRDLSTLIFKSVINIICTICFNISFENKDPILTTIQTFTEGIVDVLGHSDLVDIFPWLKIFPNKNLEMIKEHTKIREKTLVEMFEKCKEKFNSESLSSLTDILIQAKMNAENNNTGEGQDPSVFSDKHILVTVGDIFGAGIETTSSVLNWILAFLVHN... | 0 |
14,506 | 81,407 | UN | 81,407 | P65386 | 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 | MASQLTDAFARKFYYLRLSITDVCNFRCTYCLPDGYKPGGVTNNGFLTVDEIRRVTRAFASLGTEKVRLTGGEPSLRRDFTDIIAAVGENDAIRQIAVTTNGYRLARDAANWREAGLTGVNVSVDSLDARQFHAITGQDKFRQVMAGIDAAFDAGFEKVKVNTVLMRDVNHHQLDTFLAWIQPRPIQLRFIELMETGEGSDLFRKHHISGQVLRDELIKRGWIHQLRQRSDGPAQVFCHPDYAGEIGLIMPYEKDFCATCNRLRVSSVGKLHLCLFGDGGVSLRDLLQDDAQQYALEERISDALREKKQTHFLHQSNTGI... | 0 |
14,507 | 75,907 | UN | 75,907 | A7A1P0 | [H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | null | *N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O | MEQTQTAEGTDLLIGDEKTNDLPFVQLFLEEIGCTQYLDSFIQCNLVTEEEIKYLDKDILIALGVNKIGDRLKILRKSKSFQRDKRIEQVNRLKNLMEKVSSLSTATLSMNSELIPEKHCVIFILNDGSAKKVNVNGCFNADSIKKRLIRRLPHELLATNSNGEVTKMVQDYDVFVLDYTKNVLHLLYDVELVTICHANDRVEKNRLIFVSKDQTPSDKAISTSKKLYLRTLSALSQVGPSSSNLLAQNKGISHNNAEGKLRIDNTEKDRIRQIFNQRPPSEFISTNLAGYFPHTDMKRLQKTMRESFRHSARLSIAQRR... | 0 |
14,508 | 75,779 | UN | 75,779 | Q17449 | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)[O-] | null | CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)O | MIFYLVLLVLGAIAFYVHFSNNRKKLIERLEIVAQRRRDDLSKNVEQARKAADKLDTQRRDWIGSLDFEQLRDELQRGHVTCVEAIRAYFHKAILAHEKTNAVTCFILDAERQAEELDEQAKLPYYVKPPLFGVPLSLKECLKVKGYDTTRGFVQDAYHPATEDSIQVEHYKKLGLIPFCQTNVPQSLLSYNCSNPLFGTTTNPYDSTRTCGGSSGGEGALIGAGGSLIGIGTDVGGSVRIPCHFTGTAGIKPSKMRFAHRGGGASVPGKPLIDANDGPMAKDVKTNVEFLRNVWGDIDFQSDRDPYCPPVHWNESVYSS... | 0 |
14,509 | 79,687 | UN | 79,687 | A0A169T193 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O | MEFKYSTLIDPEMYETEGLCDGIPVRYHNNPELEEIDCLRCHEHWRENVGPLGVYKGGLADQWNGISIAIPEALPDRLGVVSYASEFAFVHDDVIDIAQHGNEQNDDLRVGFEQMIDAGAIKYSTSGKRALQSYIAKRMLSIDRERAIISLRAWLEFIEKTGRQEERRFNNEKEFLKYRIYDVGMLFWYGLLTFAQKITIPENELTTCHELAIPAYRHMALLNDLVSWEKERASSIALGKDYCINFIFVAMEESGISEDEAKERCREEIKLATVDYLRVFDEAKDRIDLSHDTMLYLESLLYSMSGNVVWGLQSPRYYTD... | 0 |
14,510 | 80,651 | UN | 80,651 | Q02QK0 | [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 | MRHGDISSSNDTVGVAVVNYKMPRLHTAAEVLDNARKIADMIVGMKQGLPGMDLVVFPEYSLQGIMYDPAEMMETAVAIPGEETEIFSRACRKANVWGVFSLTGERHEEHPRKAPYNTLVLIDNNGEIVQKYRKIIPWCPIEGWYPGGQTYVSEGPKGMKISLIICDDGNYPEIWRDCAMKGAELIVRCQGYMYPAKDQQVMMAKAMAWANNCYVAVANAAGFDGVYSYFGHSAIIGFDGRTLGECGEEEMGIQYAQLSLSQIRDARANDQSQNHLFKILHRGYSGLQASGDGDRGLAECPFEFYRTWVTDAEKARENVE... | 0 |
14,511 | 78,787 | UN | 78,787 | P14726 | O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=CC([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>O=C1C=C(C2=CC=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O... | null | O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1cc(-c2ccc(O)cc2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | MAPPPPHIAVVAFPFSSHAAVLFSFARALAAAAPAGTSLSFLTTADNAAQLRKAGALPGNLRFVEVPDGVPPGETSCLSPPRRMDLFMAAAEAGGVRVGLEAACASAGGARVSCVVGDAFVWTADAASAAGAPWVAVWTAASCALLAHLRTDALRRDVGDQAASRADELLVAHAGLGGYRVRDLPDGVVSGDFNYVISLLVHRQAQRLPKAATAVALNTFPGLDPPDLIAALAAELPNCLPLGPYHLLPGAEPTADTNEAPADPHGCLAWLDRRPARSVAYVSFGTNATARPDELQELAAGLEASGAPFLWSLRGVVAAA... | 0 |
14,512 | 49,504 | UN | 49,504 | Q9LCB4 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C(O)C(C[PH](=O)[O-])C(=O)[O-] | 4.2.1.166 | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O=C(O)C(O)C(C[PH](=O)O)C(=O)O | MTVQNPQEPEYFPEVFPQDAFPQYAWDEGMRPITLPHEVWLSETTHRDGQQGGLPLSLDTSRRIYDILCEITGDSTAIRHAEFFPYRDSDRNALIYALERHRDGAPIEPTTWIRARREDVELIKRIGVIETGLLSSSSDYHTFHKFGSGGRTQAASMYLDAVTMALDHGIRPRVHLEDTTRSSPDFVRALVEEVLKTAERYPAELQPRFRVCDTLGIGLPYDDVSLPRSIPRWIRLLRGFGLSPSQIELHPHNDTWLVVANCLAAIREGCGVISGTTLGTGERTGNAPLEAVMVHLLGMGYWSGARVNLPAVNKLVELYE... | 0 |
14,513 | 30,495 | UN | 30,495 | Q9GMC8 | CC(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)[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)[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)[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 | MWELLVFLLFAVAYFLWPKAKCPGAKYPKSLPSLPLVGSLLFLPRSGHPHKNFFKLQKKYGPIYSFRLGTKTTVMVGDHQLAKEVLVKKGKEFSGRPHVVTLDILSDNQKGIAFADHGASWQMHRKLALATFALFKDGDQRLEKIICREISLLCDNLAMQDGQSIDLYLPLFLAVTNIICLICFNSSFKNGDPALKIIQNYNEGILKTLGKDNLVDIFPVLKIFPNKTLEKMKNYVKNRDELLREILEKHKENFSNDSITNMLDVLIQARMNSDNNGAASDQDSKLLSDKHILTTIGDIFGAGVETTTSVVRWTVAFLLH... | 0 |
14,514 | 81,375 | UN | 81,375 | Q38716 | *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 | MATVQKSQHSHFFLLVGCIVHLSNFCSTTTAQFDYFKLVLQWPNSYCSLKTTHCPRTRLPSQFTIHGLWPDNKSWPLSNCRDTSADVLKITDKGLIQDLAVHWPDLTRRQRKVPGQKFWVTQWKKHGACALPMYSFNDYFVKALELKKRNNVLDMLSRKSLTPGDQRVDVSDVNGAITKVTGGIAILKCPEGYLTEVIICFDPSGFPVIDCPGPFPCKDDPLEFQVLSRRKFQDL | 0 |
14,515 | 78,495 | UN | 78,495 | Q58010 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.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)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)([O-])OP(=O)... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCCNO)[C@@H](O)[C@H]2O)c(=O)n1>>CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc... | MWGRDYELKYISYPKSVAIIGASKTEGKVGYAIMKNLKDFNGKIYPINPKYDEIFGIKCYKSVLDVEDDIDLAVIVVPNIVVPKVLEECGKKGVKGAVIITAGFSEVGNYELENKIKEIAKRYNIRIIGPNCLGIMNTHINLNATFAKVFPPKGGVSIISQSGAVLNAILDIAPLLNIGFSKVVSIGNKADIQESDLLEYFLDDEDTKIVVLYIEGLKDKRFLKVAKKLSKKKPIIALKSGRTEVGKKAAKSHTGSLAGEDVIYEAAFKEAGIIRAYTFEELVDLIHLFSTQPTISSNEIGIITNAGGFGVLAADSCVDY... | 0 |
14,516 | 59,232 | UN | 59,232 | A0A3L6G2C1 | 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 | MAPSNIVVQSSSTPPVAGGDEEFAPSVWGDFFVTYAPPVSQASEQRMSERAELLKAQVCQAFDAASMDVAGLVTYVDTLERLGLDNHFRDLIGAALERIGAEELPEHGGGLHIVALRFRLLRQHGIWVSTDVFDAFREDAGGFCSSLCSDDPRGLLSLYNAAHMAVPGEVVLDDAIAFARGRLLDIISKGEVRSPVSEQITRALDIPLPRFTRRLETMHYIAEYEHEEAHDGLLLELARLNFVLVRALHLRELKDLSLWWRELYNTVKLPYARDRMVEIYFWTCGMLHEEEYSLARMFFAKTFGMVSLMDDTFDVHATLD... | 0 |
14,517 | 22,464 | UN | 22,464 | A0A2H5AIX7 | [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 | MDLILLEKSLLAVFFAVIFSIIVSKLRGKKLKLPPGPFPVPVFGNWIQVGDDLNHRNLAGLAKKFGDIFLLRMGQRNLVVVSSPDLARDVLHTHGVEFGSRTRNVVFDIFTGKGQDMVFTVYGEHWRKMRRIMTVPFFTNKVVNQYRFGWEEEAARVVEDVKKDPMAAAEGIVLRRRLQLLMYNNMYRIMFDRRFESVDDPLFLKLTALNGERSRLAQSFEYNYGDFIPILRPFLRGYLKICKQVKERRFKLFKDYFLEERKKLASTKPTDNAGLKCAIDHILDAEKKGEINEDNVLYIVENINVAAIETTLWSIEWGIA... | 0 |
14,518 | 51,636 | UN | 51,636 | Q2FI19 | O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*] | 1.97.1.14 | O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O | MSHDTNTIDSRTHEGELNKLGFWIFITAEFALFGTLFATLLTLQHGGDYAGKMTTELFELPLVLIMTFALLFSSYTCGIAIYYMRQEKQKLMMFWMIITLLLGLVFVGFEIYEFAHYASEGVNPTIGSYWSSFFILLGTHGCHVSLGIVWAICLLIQIQRRGLDKYNAPKLFIVSLYWHFLDVVWVFIFTAVYMIGMVYSG | 0 |
14,519 | 82,203 | UN | 82,203 | O60513 | 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)([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@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C... | null | 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]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[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[... | MGFNLTFHLSYKFRLLLLLTLCLTVVGWATSNYFVGAIQEIPKAKEFMANFHKTLILGKGKTLTNEASTKKVELDNCPSVSPYLRGQSKLIFKPDLTLEEVQAENPKVSRGRYRPQECKALQRVAILVPHRNREKHLMYLLEHLHPFLQRQQLDYGIYVIHQAEGKKFNRAKLLNVGYLEALKEENWDCFIFHDVDLVPENDFNLYKCEEHPKHLVVGRNSTGYRLRYSGYFGGVTALSREQFFKVNGFSNNYWGWGGEDDDLRLRVELQRMKISRPLPEVGKYTMVFHTRDKGNEVNAERMKLLHQVSRVWRTDGLSSC... | 0 |
14,520 | 33,087 | UN | 33,087 | B5RF58 | 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 | MELYLDTANVAEVERLARIFPIAGVTTNPSIVAASKESIWDVLPRLQNAIGEEGTLFAQTMSRNAKGMVEEAKRLNNAIPGIVVKIPVTAEGLAAIKLLKKEGIVTLGTAVYSASQGLLAALAGAKYVAPYVNRVDAQGGDGIRMVQELQTLLEHHAPDSMVLAASFKTPRQALDCLLAGCQAITLPLDVAQQMLNTPAVESAIEKFEQDWKNAFGNLNL | 0 |
14,521 | 78,415 | UN | 78,415 | Q2YC79 | 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 | MINVLVVEDSPVVREFLIYILNSDPDITVIATAGDGEEAIDALRNHRPDVITMDIHMPKLNGVEATQLIMETQPTPIVIVSGSTDPAEVGTTFDAIDAGALAVLPRPAGIGHPDHEATARKMIEVVKLMSEVKVVRRWARMRGASPASHSVRAPLLNRVAPARIVVVGASTGGPPALEAILSSLPKHFPVPILIVQHMTTGFMEGFVQWLKNSSNLPVHIARQGELPLPGHVYMAPDEYQMKVENRGEIVLTKDEPEHGSRPSISYLFRAVARVYGHDAVAGLLTGMGRDGADELRLLKEKGAITFAQDKESSVVHGMAG... | 0 |
14,522 | 33,087 | UN | 33,087 | Q92EU3 | 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 | MSELVMDSAFFGHVLQDMGALIEKERDYLTGLDSDIGDGDHGINLSIGFREVNKQLDELLTVSPDIATLLKKSGMILLGKVGGASGPLYGSFFMKCGADVPGKTEVNFDELCGMIINGAAAVQHRGKAELGDKTMMDAFLPGVEVLQNRDTNADPIETFSAFVDAMHAGAQSTIPLIAKKGRALRLGERAIGHLDPGSESSWMLMNVILENLKKAV | 0 |
14,523 | 46,789 | LR | 46,788 | Q704F0 | *OC[C@@H](COC(=O)CCCC/C=C\C/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)CCCC/C=C\C/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)CCCC/C=C\C/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)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MQLDTISFNNPLNSETSEDTTKLPFTLGDLKAAIPAECFQPNVTKSLFYFFRDILIIGLLYAVASYLDSWLFFPIFWLMQGTMFWALFVVGHDCGHQSFSKQKWLNDLIGHLSHTPILVPYHGWRISHRTHHKNTGNIDNDESWYPVTESQYKDMPLAQKIGRYYVFLLAYPVYLFKRSPNKEGSHFLPSSSLFKPSEKWDVLTSTVLLIGMVGLLGFLTYQWGWMWLLKYYAVPYLVFIVWLDLVTFLHHTEPELPWYRGEDWTFLKGAISSIDRDYGLVYHIHHDIGTHVAHHIFLNIPHYNLLKATEAIKPVMGEYF... | 1 |
14,524 | 78,419 | UN | 78,419 | Q09109 | O=C([O-])NC1=NC2=CC=CC=C2N1.[H+]>>NC1=NC2=CC=CC=C2N1.O=C=O | null | O=C(O)Nc1nc2ccccc2[nH]1>>Nc1nc2ccccc2[nH]1.O=C=O | MAGSSFTLPSTGSAPLDMMLIDDSDLLQLGLQQVFSKRYTETPQSRYKLTRRASPDVSSGEGNVHALAFIYVNAETLQMIKNARSLTEANGVKDLVAIDVPPFRNDFSRALLLQVINLLGNNRNADDDLSHFIAVALPNSARSKILTTAPFEGSLSENFRGFPITREGNVACEVLAYGNNLMPKACSDSFPTVDLLYDYGKFFESCAADGRIGYFPEGVTKPKVAIIGAGFSGLVAASELLHAGVDDVTVYEASDRLGGKLWSHGFKSAPNVIAEMGAMRFPRSESCLFFYLKKHGLDSVGLFPNPGSVDTALFYRGRQY... | 0 |
14,525 | 80,211 | UN | 80,211 | P08682 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.[H]*[H].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.*.[H]O[H] | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O=O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O.O | MAVLGITVALLGWMVILLFISVWKQIHSSWNLPPGPFPLPIIGNLLQLDLKDIPKSFGRLAERFGPVFTVYLGSRRVVVLHGYKAVREMLLNHKNEFSGRGEIPAFREFKDKGIIFNNGPTWKDTRRFSLTTLRDYGMGKQGNEDRIQKEAHFLLEELRKTQGQPFDPTFVIGCTPFNVIAKILFNDRFDYKDKQALRLMSLFNENFYLLSTPWLQVYNNFSNYLQYMPGSHRKVIKNVSEIKEYTLARVKEHHKSLDPSCPRDFIDSLLIEMEKDKHSTEPLYTLENIAVTVADMFFAGTETTSTTLRYGLLILLKHPE... | 0 |
14,526 | 76,767 | UN | 76,767 | A0A7R7ZLE4 | 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 | MPKLTPTERGIAIYNPLVLQIYDYWVLNIVNTWAWRCPTKTHLLPLFVSNIGSNHLDIGVGTGYYLANGTIPQTTRLTLCDLSPTAMAKAKARAGREDARELLCDVLKPLPVRAGEKFDSVSMYFLLHCLPGPVGNKICVFEHVKGVLKEDGVVTGATVLGKGVKDNFFGGLIRRFCVYDGIMSNETDDVESFVEALKANFEVVEVDVIGVVLVFKAMKPKL | 1 |
14,527 | 29,775 | UN | 29,775 | Q329H3 | O=P([O-])([O-])O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=P([O-])([O-])OC[C@H]1O[C@H](OP(=O)([O-])[O-])[C@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | 2.7.1.239 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H]1O | MTGKLIWLMGPSGSGKDSLLAELRLREQTQLLVAHRYITRDASAGSENHIALSEQEFFTRAGQNLLALSWHANGLYYGVGVEIDLWLHAGFDVLVNGSRAHLPQARARYQSALLPICLQVSPEILRQRLENRGRENASEINARLVRAARYTPQDCHTLNNDGSLCQSVDTLLTLIHQKEKHHACL | 0 |
14,528 | 46,572 | UN | 46,572 | Q43593 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKLCFPPHKMPSFPDARIRSHRVFMASTIHSPSMEVGKVKKPFTPPREVHVQVTHSLAPEKREIFNSLNNWAQENILVLLKDVDKCWQPSDFLPDSASEGFDEQVMELRKRCKEIPDDYFIVLVGDMITEEALPTYQTMLNTLDGVRDETGASLTPWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMKQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARLAKEHGDLKLAQICGIIAADEKRHETAYTKIVEKLFEIDPDGTVLALADMMRKKVSMPAHLMYDGQDDNLFENFSSVAQRLGVYT... | 0 |
14,529 | 82,563 | UN | 82,563 | Q81V75 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MKKPIIQLLLIFTIVSIVPFLLNTSYISLYTFVGVLWSITIVGISFVIFIENRSPQSTLAWFLVLALLPVVGVLLYSIFGRSRWRRKKHLHRSEEQRKLFREILEGRRLELSLKVPLSERSVHLTEVVQKFGGGPAADRTTTKLLTNGDQTFSEILQAIEQAKHHIHIQYYIYKSDEIGTKVRDALIKKAKDGVIVRFLYDGLGSNTLRRRFLQPMKEAGIEIVEFDPIFSAWLLETVNYRNHRKIVIVDGEIGFTGGLNVGDEYLGRSKKFPVWRDSHLKVEGKALYKLQAIFLEDWLYASSGLNTYSWDPFMNRQYFP... | 0 |
14,530 | 82,203 | UN | 82,203 | Q3YL68 | 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)([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@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C=C2O[C@@H]2O[C... | null | 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]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[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2O[C@@H]2O[C@H](CO)[C@@H](O)[... | MPTHLRFRRRSFLGLLFLFSLSTSALYFIYSAPGIVNEYLFMVQARGIQIRENVRNMGAQVLEQVVRSAYSINGTDYTYEFNFSETDASPTPFLPEGFTYKPEQVCPEKLPSMKGRLKVNMSEIALDEVEKLLKLNDPGLSVGGHWKPHDCRPRWKVAILVPFRNRHEHLPILFRHLIPALQRQRLQFGFYVIEQAGNEPFNRAMLFNVGFKEAMKDLNWDCVIFHDVDHILENDRNYYGCGEMPRHFAVKLNKYSYMLPYEEFFGGVSGLTVKQFKRINGFPNAFWGWGGEDDDLWNRVQFAGYKVSRPHGELGRYMSI... | 0 |
14,531 | 76,503 | UN | 76,503 | Q87GA3 | COC1=CC(/C=C/C(=O)[O-])=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.[H]O[H]>>COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=CC(C=O)=C1.CC(=O)[O-] | 4.1.2.65 | COc1cc(/C=C/C(=O)O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O.O>>CC(=O)O.COc1cc(C=O)ccc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O | MSSHPTKITFFEFLTPLITSGQKTITIRDESESHYVPNTEVEVFTLETDRKVCDIKILSVEPLNFDEINEFHAEQEAIELPKLKQLIREIYPNIDKLFVIEYELIKK | 0 |
14,532 | 79,687 | UN | 79,687 | A0A1V1FVQ6 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O | MEYKYSTIVDKSKWDPEGLTEGIPLRRHEAGDLEEVGSFRVQEDWRRLVGPLENPYRGSLGPEISFITYTVPECLPERLEAISYSLDYGFMHDDEIDLNIASAELSDVGGALKQGGATGKIDEGKSSSGKRKMAAQLLREMMALDPERAMALAKSWAQGVQHSARRVEEKDWKSLDEYIPFRCMDLGYMHWHGLVTFGCAITVPEEEEEERRRLLEPAVIACMMTNDLFSYEKEKNDNNPQNAVTVIMKINKCGEEEAKEVCKKRIRVECAKYAQIVKETLARTDISLDLKKYIEIMQYTVSGNWAWSTQCPRYHFPGRW... | 0 |
14,533 | 30,491 | UN | 30,491 | O34974 | CC(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)[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)[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)[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 | MTRADFIQFGAMIHGVGGTTDGWRHPDVDPSASTNIEFYMKKAQTAEKGLFSFIFIADGLFISEKSIPHFLNRFEPITILSALASVTKNIGLVGTFSTSFTEPFTISRQLMSLDHISGGRAGWNLVTSPQEGAARNHSKSNLPEHTERYEIAQEHLDVVRGLWNSWEHDAFIHNKKTGQFFDQAKLHRLNHKGKYFQVEGPLNIGRSKQGEPVVFQAGSSETGRQFAAKNADAIFTHSNSLEETKAFYADVKSRAADEGRDPSSVRIFPGISPIVADTEEEAEKKYREFAELIPIENAVTYLARFFDDYDLSVYPLDEPF... | 0 |
14,534 | 79,431 | UN | 79,431 | Q6P1A2 | CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)([O-])OCC[NH3+].CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[NH3+].CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)([O-])OCC[N+](C)(C)C | null | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C.CCCCCCCCCCCCCCCC/C=C\OC[C@@H](O)COP(=O)(O)OCCN>>CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCC)COP(=O)(O)OCCN.CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COP(=O)(O)OCC[N+](C)(C)C | MASSAEGDEGTVVALAGVLQSGFQELSLNKLATSLGASEQALRLIISIFLGYPFALFYRHYLFYKETYLIHLFHTFTGLSIAYFNFGNQLYHSLLCIVLQFLILRLMGRTITAVLTTFCFQMAYLLAGYYYTATGNYDIKWTMPHCVLTLKLIGLAVDYFDGGKDQNSLSSEQQKYAIRGVPSLLEVAGFSYFYGAFLVGPQFSMNHYMKLVQGELIDIPGKIPNSIIPALKRLSLGLFYLVGYTLLSPHITEDYLLTEDYDNHPFWFRCMYMLIWGKFVLYKYVTCWLVTEGVCILTGLGFNGFEEKGKAKWDACANMK... | 0 |
14,535 | 78,815 | UN | 78,815 | P9WKF6 | [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 |
14,536 | 62,376 | UN | 62,376 | Q86I22 | 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 | MNKFWETGRKIVAVGRNYAQHAKELGNEIPSEPFFFLKPTSSYLLQGTGPIEIPLESSDIHHEVELGIVIGKKGRDIDLKSAMDYVSGYTLALDMTSRDQQSIAKAKSLPWTVSKGYDTFCPISGFIPKDKIKDLNNVELWCSVDGQIKQKGNTNQMIFDVPHLIQYISSIMTLESGDLILTGTPSGVGPVKPGQVIKCGITGLDTDMQFDIILRKRN | 0 |
14,537 | 80,211 | UN | 80,211 | A0A1E3B0R7 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.[H]*[H].O=O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(O)=C2)NC1=O.*.[H]O[H] | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O=O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(O)c2)NC1=O.O | MWDSPIIFTRMRELVQSVSPAALSWAVVAVYIGTFFWLKSRSSKQRLPLPPGPRGLPLIGNSFQTPAVNPWEKYKEWSDEYGPVMTLSLGLTTTIILSSHQVANDLMEKKSTIYSSRPQLVMFNRLSGGMNSSGMEYGKRWRDHRSLQASVLRPWMTQRYTALRDVETKQLLAELLKTDDFSSCFKRMVASLFMTLAYGKRVQYPDDPEIRGMEELVRVKSEAGEASFRATGQLVEYIPLLQYLPSFLTPWKEMCDRICEQFNKTFVDRLREGINAPAWTWAKEVSKHKVARPMSELEVSYTLGTLYEASLTSQQILRII... | 0 |
14,538 | 76,419 | UN | 76,419 | P56590 | CCCCCC1=C(CO)C(O)=CC=C1.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>>CCCC[C@H](O)C1=C(CO)C(O)=CC=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+] | null | CCCCCc1cccc(O)c1CO.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>>CCCC[C@H](O)c1cccc(O)c1CO.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MMSMFRLSIPISASELLLASTVFCLVLWVVKAWQPRLPKGLKSPPGPWGWPVLGNVLTLGKSPHLALSRLSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSFSLVTDGQSLTFSPDSGPVWAARRRLAQNALKSFSIASDPASSCSCYLEEHVSKEAEVLLSRLQEQMAEVGRFDPYRYIVVSVANVICAMCFSKRYDHDDQELLSLVNLSNEFGEGVASANPLDFFPILRYLPNPALDFFKDLNKRFYSFMQKMVKEHYKTFEKGQIRDVTDSLIEHCQDKRLDENANIQLSDEKIVNVVLDLFG... | 0 |
14,539 | 79,255 | UN | 79,255 | Q9SWR5 | C[C@H]1CCCC(=O)CCC/C=C/C2=CC(O)=CC(O)=C2C(=O)O1.[H]O[H]>>C[C@H](O)CCCC(=O)CCC/C=C/C1=C(C(=O)[O-])C(O)=CC(O)=C1.[H+] | null | C[C@H]1CCCC(=O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1.O>>C[C@H](O)CCCC(=O)CCC/C=C/c1cc(O)cc(O)c1C(=O)O | MLLELALGLLVLALFLHLRPTPTAKSKALRHLPNPPSPKPRLPFIGHLHLLKDKLLHYALIDLSKKHGPLFSLYFGSMPTVVASTPELFKLFLQTHEATSFNTRFQTSAIRRLTYDSSVAMVPFGPYWKFVRKLIMNDLLNATTVNKLRPLRTQQIRKFLRVMAQGAEAQKPLDLTEELLKWTNSTISMMMLGEAEEIRDIAREVLKIFGEYSLTDFIWPLKHLKVGKYEKRIDDILNKFDPVVERVIKKRREIVRRRKNGEVVEGEVSGVFLDTLLEFAEDETMEIKITKDHIKGLVVDFFSAGTDSTAVATEWALAEL... | 0 |
14,540 | 74,843 | UN | 74,843 | Q6IMI6 | [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... | MAKIEKNAPTMEKKPELFNIMEVDGVPTLILSKEWWEKVCNFQAKPDDLILATYPKSGTTWMHEILDMILNDGDVEKCKRAQTLDRHAFLELKFPHKEKPDLEFVLEMSSPQLIKTHLPSHLIPPSIWKENCKIVYVARNPKDCLVSYYHFHRMASFMPDPQNLEEFYEKFMSGKVVGGSWFDHVKGWWAAKDMHRILYLFYEDIKKDPKREIEKILKFLEKDISEEILNKIIYHTSFDVMKQNPMTNYTTLPTSIMDHSISPFMRKGMPGDWKNYFTVAQNEEFDKDYQKKMAGSTLTFRTEI | 0 |
14,541 | 81,079 | UN | 81,079 | P62577 | [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... | MEKKITGYTTVDISQWHRKEHFEAFQSVAQCTYNQTVQLDITAFLKTVKKNKHKFYPAFIHILARLMNAHPEFRMAMKDGELVIWDSVHPCYTVFHEQTETFSSLWSEYHDDFRQFLHIYSQDVACYGENLAYFPKGFIENMFFVSANPWVSFTSFDLNVANMDNFFAPVFTMGKYYTQGDKVLMPLAIQVHHAVCDGFHVGRMLNELQQYCDEWQGGA | 0 |
14,542 | 76,083 | UN | 76,083 | Q2XNC9 | 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 | MGLEALVPLAVIVTIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLL... | 0 |
14,543 | 80,267 | UN | 80,267 | C5CAM5 | 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.[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>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H]... | null | 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.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>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1nc... | MKERIILAYSGGLDTSVAIGWIAEATGAEVVAVAVDVGQGGESLETIRQRALDCGAVEAYVADARDEFAEQYCMPTLKANALYMDAYPLVSAISRPVISRHLVAAARQFGASTVAHGCTGKGNDQVRFEVSIQTLGPDLKCIAPVRDLALTREKAIEYAERNDLPIVTTKKNPFSIDQNVWGRAVETGFLEDIWNGPTKDVYDYTDDPAFPPAPDVVTIAFERGVPTALDGRALSPLEIIEELNRRAGAQGVGRIDIVEDRLVGIKSREIYEAPGAMALIAAHRELENVTLEREQARFKKHVDQRWTELVYDGQWYSPLK... | 0 |
14,544 | 74,843 | UN | 74,843 | P61647 | [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... | MRPGGALLALLASLLLLLLLRLLWCPADAPGRARILVEESREATHGTPAALRTLRSPATAVPRATNSTYLNEKSLQLTEKCKNLQYGIESFSNKTKGYSENDYLQIITDIQSCPWKRQAEEYANFRAKLASCCDAVQNFVVSQNNTPVGTNMSYEVESKKEIPIKKNIFHMFPVSQPFVDYPYNQCAVVGNGGILNKSLCGTEIDKSDFVFRCNLPPTTGDVSKDVGSKTNLVTINPSIITLKYGNLKEKKALFLEDIATYGDAFFLLPAFSFRANTGTSFKVYYTLEESKARQKVLFFHPKYLKDLALFWRTKGVTAYR... | 0 |
14,545 | 78,807 | UN | 78,807 | A4YH98 | NC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-].[H+]>>NC(=[NH2+])NCCCC[NH2+]CCC[NH3+].O=C=O | 4.1.1.127 | N=C(N)NCCCCNCC[C@H](N)C(=O)O>>N=C(N)NCCCCNCCCN.O=C=O | MSEQVTFQSHEDRIVGKHVFGNLYDIDPEDLNNEQLLKDLVLKAVEIAHMNLVEAKSWSFGGKKGGVSVIALIEESHIALHTWNEYNYATLDVYTCGEDSDPQAAFKFIVEALKPRRYQVFFADRSSS | 0 |
14,546 | 75,263 | UN | 75,263 | Q96RQ9 | 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 | MAPLALHLLVLVPILLSLVASQDWKAERSQDPFEKCMQDPDYEQLLKVVTWGLNRTLKPQRVIVVGAGVAGLVAAKVLSDAGHKVTILEADNRIGGRIFTYRDQNTGWIGELGAMRMPSSHRILHKLCQGLGLNLTKFTQYDKNTWTEVHEVKLRNYVVEKVPEKLGYALRPQEKGHSPEDIYQMALNQALKDLKALGCRKAMKKFERHTLLEYLLGEGNLSRPAVQLLGDVMSEDGFFYLSFAEALRAHSCLSDRLQYSRIVGGWDLLPRALLSSLSGLVLLNAPVVAMTQGPHDVHVQIETSPPARNLKVLKADVVLL... | 0 |
14,547 | 80,955 | UN | 80,955 | Q1CAM4 | *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 | MPSIRLADLAQQLDAQVHGDGDLVITGIASMHSAQPEQITFLSNSRYREQLASCNAGAVVLTEADLPFCKVAALVVENPYFTYARMAQIMDTTPQPAQDIAPSAVISPQATLGEGVSVGANAVIESGVVLGDNVVIGAGCFIGKNTHIGAGSRLWANVSIYHEVVIGQNCLIQSGTVIGADGFGYANDRGNWVKIPQLGSVHIGDRVEIGACTTIDRGALDNTIIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKVGRYCMIGGASVINGHMEICDKVTITGMGMVMRPITEPGLYSSGIPLQPNKMWRKTAALV... | 0 |
14,548 | 78,975 | UN | 78,975 | B5RLS2 | 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 | MGFHIYEIKARQIIDSRGNPTVEADVILEDGTLGRAAVPSGASTGTNEAVELRDGDKSVYMGKGVLKAVENIINIISPELEGMSALNQVEIDRKMLELDGTPNKSKLGANAILAVSMATARAAAEHLGLKVYQYLGTYKANILPTPMCNIINGGAHSDNSVDFQEFMIMPIGAKTFSDAIRMSAEVFHTLKSILSKKGYATSVGDEGGFAPNLKSNEEACEVIMEAIKSAGYTPGTDIAIALDPATSELYDPKTKKYVFKWSTKEELTSQEMVEYWAKWVEKYPIISIEDGMAEEDWDGWKKLTDKIGNKIQLVGDDLFV... | 0 |
14,549 | 77,075 | UN | 77,075 | Q6IV13 | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.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>>CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3.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)... | null | C=C(C)[C@H]1CC[C@@H](C)[C@]12CC=C(C)CC2.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>>CC1CCC2C3(C)CC4CC12CCC4(C)O3.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.Cc1cc2nc3c(=O)[... | MELQISSAIIILVATFVASLLIKQWRKSESRQNLPPGPPKLPLVGHLHLLWGKLPQHAMADMAKKYGPVTHVQLGEVFSVVLSSREATKEAMKLLDPACADRFESIGTRIMWYDNDDIIFSPYSDHWRQMRKICVSELLSARNVRSFGFIRQDEMSRLLRHLQSSAGETVDMTERIATLTCSIICRAAFGAIINDHEELVELVKDSLSMASGFELADLFPSSKLLNLLCWNKSKLWRMRRRVDTILEAIVDEHKLKKSGEFGGEDIIDVLFRMQKDSQIKVPITTNAIKAFIFDTFSAGTETSSTTTLWVMAELMRNPAV... | 0 |
14,550 | 80,267 | UN | 80,267 | Q8TNY5 | 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.[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>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H]... | null | 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.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>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1nc... | MVKKVALAYSGGLDTSVCIPILKEKYGYDEVITISVDVGQPEEEIKKADAKAEKISNKHYTIDAKEEFVKDYIFPLIKANGDYEGYVMGTSVARPLIAKKVVEAAIKEGAVALAHGCTGKGNDQLRFEAVFRQTDMDVIAPMREMNLTREWEIDYAKEHGIPVEVTKAKPWSVDENIWSRSIEGGKLEDPSFVPPEEIFEWTKSAEDAPNEPRIVDIDFEAGVPVALDGEKLGGYALVRKLNEIAGENGVGRTDMIEDRVLGLKARENYEHPAATVLLAAHADLEKLVLTRGELKFKKIVDEQWSELAYYGLVDEPLYAD... | 0 |
14,551 | 80,955 | UN | 80,955 | Q1RG10 | *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 | MPSIRLADLAQQLDAELHGDGDIVITGVASMQSAQTGHITFMVNPKYREHLGLCQASAVVMTQDDLPFAKSAALVVKNPYLTYARMAQILDTTPKPAQNIAPSAVIDETAKLGNNVSIGANAVIESGVELGDNVIIGAGCFVGKNSKIGAGSRLWANVTIYHEIQIGQNCLIQSGTVVGADGFGYANDRGNWVKIPQIGRVIIGDRVEIGACTTIDRGALDDTVIGNGVIIDNQCQIAHNVVIGDNTAVAGGVIMAGSLKIGRYCMIGGASVINGHMEICDKVTVTGMGMVMRPITEPGVYSSGIPLQPNKVWRKTAALV... | 0 |
14,552 | 76,091 | UN | 76,091 | Q6GUR1 | 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 | MLFRISMSATEFLLASLIFCLVFWVIRASRPRVPKGLKNPPGPWGWPLIGHILTLGKNPHLALSRMSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVQQGDDFKGRPNLYSFTLISNGQSMSFGPDSGPVWAARRRLAQNGLKSFSIASDPASSSSCYLEEHVSKEAEVLISKLQEQMAGPGHFNPYRYVVISVANVICAICFGQRYDHNHQELLSLVNLSNNFGEVVGSGNPADFIPILRYLPNRSLNGFKDLNEKFHSFMQKMIKEHYKTFEKGHIRDITDSLIEHCQEKQLDENANIQLSDEKIVNVVLDLFGAGFD... | 0 |
14,553 | 79,227 | UN | 79,227 | A1DA66 | [H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])C[C@@H](Cl)[C@](C)(C=C)[C@@H]2[N+]#[C-].O=P([O-])([O-])OP(=O)([O-])O | 2.5.1.159 | CC(C)=CCOP(=O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C>>O=P(O)(O)OP(=O)(O)O.[C-]#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2C[C@@H](Cl)[C@]1(C)C=C | MTIATEISCPEEEAFQLLDKYSWFPNDDQRRWWEYTGPNLLKLLRDAQYPQKDQISCLYLLQQLLVPYLGTFPVAGQAPLPWWSNVTTYGVPFELSWNLLHNIVRIGFEPLSHLAESGVDAFNKIAPEECLSRLACLDNTIDLARFRHFQHQLLVTPDEERRLLEEKGPLPKSGRGQQALAVEFQNGGISAKAYFFPGMKSLATGLSPGKLILDSIESLALPGLKEPVHHLCNSLGLQDDGHPTDTAIAPFLLGVDLCTPERSRLKFYVTDQVVSWDRVADMWTLRGKRLEDPQCADGLTLLRKLWDLLEIPEGYRSNIR... | 0 |
14,554 | 13,961 | UN | 13,961 | Q85A82 | 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)... | MKIAVYGKGGIGKSTTSCNTSIASARRGKRVLQIGCDPKHDSTFTLTGSLIPTIIDTSQSKDYHYEDVWPEDVIYKGYGGVDCVEVGGPPAGAGCGGYVVGETVKLLKELNAFYEYDIILFDVSGDVVCGGFVVLLNYADYCIIITDNGFDALFAVNCIAASVREKARTHSLRLAGSVGNRTSKRDLINRYVEACPMPVLEVSLLIEDIRVSRVKGKTSFEMVEFQPFLNYVCEFYLNIADQILSQPEGVIPKEIPDRELFSLLSDFYLNPTNNERENKNQETLLDFMII | 0 |
14,555 | 80,223 | UN | 80,223 | Q29497 | [H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H])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@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)[O-])[C@@]3([H]... | null | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(CC[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[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)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@@H]4[C@](C)(C[C@@H](O)[C@H](O)[C@@]4(C)C(=O)O)[C@H]3CC[C@@]21C.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n... | MWVLLAVFLLTLAYLFWPKTKHSGAKYPRSLPSLPLVGSLPFLPRRGQQHENFFKLQEKYGPIYSFRLGSKTTVMIGHHQLAREVLLKKGKEFSGRPKVATLDILSDNQKGIAFADHGAHWQLHRKLVLNAFALFKDGNLKLEKIINQEANVLCDFLATQHGQSIDLSEPLSLAVTNIISFICFNFSFKNEDPALKAIQNVNDGILEVLGKEVLLDIFPALKIFPSKAMEKMKGCVETRNELLSEILEKCQENFTSDSITNLLHILMQAKVNADNNNTGPEQDSKLLSNRHMLATIADIFGAGVETTTSVIKWIVAYLLH... | 0 |
14,556 | 82,563 | UN | 82,563 | O35405 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MKPKLMYQELKVPVEEPAGELPLNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLEFPNATTSNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLQQLQALAPRGVKVRIAVSKPNGPLADLQSLLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRSFDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDSARSFI... | 1 |
14,557 | 78,231 | UN | 78,231 | O54905 | *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... | MLQWRRRHCCFAKMTWSPKRSLLRTPLTGVLSLVFLFAMFLFFNHHDWLPGRPGFKENPVTYTFRGFRSTKSETNHSSLRTIWKEVAPQTLRPHTASNSSNTELSPQGVTGLQNTLSANGSIYNEKGTGHPNSYHFKYIINEPEKCQEKSPFLILLIAAEPGQIEARRAIRQTWGNETLAPGIQIIRVFLLGISIKLNGYLQHAIQEESRQYHDIIQQEYLDTYYNLTIKTLMGMNWVATYCPHTPYVMKTDSDMFVNTEYLIHKLLKPDLPPRHNYFTGYLMRGYAPNRNKDSKWYMPPDLYPSERYPVFCSGTGYVFS... | 0 |
14,558 | 74,147 | UN | 74,147 | Q6AZA0 | CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)[O-])C(=O)C1=CC=CC=C1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCS>>CC(C)(COP(=O)([O-])OP(=O)([O-]... | 2.3.1.310 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)[C@@H](CC(=O)O)C(=O)c1ccccc1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](... | MTSRALYSTRSQLCRHLAHKYLSRSYSTRPSLNEVVIVSAVRTPIGSFKGSLSTLPATKLGSIAIKGAIDKAGIPVEEVKEVYMGNVLQAGEGQAPTRQALLGAGLPLSTPATTINKVCASGMKSIMLASQSLMCGHQDVMVAGGMESMSQVPYIMAREAPPYGGVKMEDLIVKDGLTDVYNKFHMGNCAENTAKNSSISREEQDAFAIKSYTLSKAAWESGILAKEVVPVSIPQRGKPDVVVKEDEEYRKVDFSKVPKLKAVFLKENGTVTAANASTLNDGAAALVLMTADAAQRLNVTPLAKIVAFADAAVAPIDFPI... | 0 |
14,559 | 76,103 | UN | 76,103 | B3GSH5 | 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 | MAPGREGELDRDFRVLMSLAHGFMVSQVLFAALDLGIFDLAAQGPVAAEAVAQTGGWSPRGTQLLMDACTRLGLLRGAGDGSYTNSALSSTFLVSGSPQSQRCMLLYLAGTTYGCWAHLAAGVREGRNQYSRAVGISAEDPFSAIYRSEPERLLFMRGLQETWSLCGGRVLTAFDLSRFRVICDLGGGSGALAQEAARLYPGSSVCVFDLPDVIAAARTHFLSPGARPSVRFVAGDFFRSRLPRADLFILARVLHDWADGACVELLGRLHRACRPGGALLLVEAVLAKGGAGPLRSLLLSLNMMLQAEGWERQASDYRNL... | 0 |
14,560 | 49,512 | UN | 49,512 | Q1R6R9 | 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 | MKKILTTPIKAEDLQDIRVGDVIYLTGTLVTCRDVCHRRLIELKRPIPYDLNGKAIFHAGPIVRKNGDKWEMVSVGPTTSMRMESFEREFIEQTGVKLVVGKGGMGPLTEEGCQKFKALHVIFPAGCAVLAATQVEEIEEVHWTELGMPESLWVCRVKEFGPLIVSIDTHGNNLIAENKKLFAERRDPIVEEICEHVHYIK | 0 |
14,561 | 66,952 | UN | 66,952 | P9WMY2 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.CC1=CN([C@H]2C[C@H](O)[C@@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)C(=O)NC1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C... | 2.4.1.377 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O.Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)O2)c(=O)[nH]c1=O>>CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C... | MTDVLPVVAVTYSPGPHLERFLASLSLATERPVSVLLADNGSTDGTPQAAVQRYPNVRLLPTGANLGYGTAVNRTIAQLGEMAGDAGEPWVDDWVIVANPDVQWGPGSIDALLDAASRWPRAGALGPLIRDPDGSVYPSARQMPSLIRGGMHAVLGPFWPRNPWTTAYRQERLEPSERPVGWLSGSCLLVRRSAFGQVGGFDERYFMYMEDVDLGDRLGKAGWLSVYVPSAEVLHHKAHSTGRDPASHLAAHHKSTYIFLADRHSGWWRAPLRWTLRGSLALRSHLMVRSSLRRSRRRKLKLVEGRH | 0 |
14,562 | 80,267 | UN | 80,267 | C3L1U3 | 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.[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>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H]... | null | 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.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>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1nc... | MKEKVVLAYSGGLDTSIIIPWLKENYDLDVIAVCVNVGQGDDMDYVKTKAIKSGASKIYVEDVKEEFVVDYLYKAIKSEALYEQDYMLGTSFARPLMAKKLVEIAHKEQAKYICHGCTGKGNDQVRFEVGVKAQDPTIKIIAPWRIWDIKSREDAIDYAKKVGVEVPVTKKKIYSVDKNLWHVSHEGGDLEDLKNEHKEDMYFMVTPPEKAKDEPTYLEIYFEKGAPVKINGEFLNPVDIIDKLNTIGGENGIGIADIIENRLVGMKSRGIYETPAGTLLYAAHKKLESVTLDKYTYQYKKLVSAQYGELVYNGLWFTAL... | 0 |
14,563 | 81,319 | UN | 81,319 | Q3V1L4 | *[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 | MTTSWSDRLQNAADVPANMDKHALKKYRREAYHRVFVNRSLAMEKIKCFGFDMDYTLAVYKSPEYESLGFELTVERLVSIGYPQELLSFAYDSTFPTRGLVFDTLYGNLLKVDAYGNLLVCAHGFNFIRGPETREQYPNKFIQRDDTERFYILNTLFNLPETYLLACLVDFFTNCPRYTSCDTGFKDGDLFMSYRSMFQDVRDAVDWVHYKGSLKEKTVENLEKYVVKDGKLPLLLSRMKEVGKVFLATNSDYKYTDKIMTYLFDFPHGPKPGSSHRPWQSYFDLILVDARKPLFFGEGTVLRQVDTKTGKLKIGTYTGP... | 0 |
14,564 | 65,784 | UN | 65,784 | F1CMY8 | 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 | MSIDTARSGSDDDVEIREIQAAAAPTRFARGWHCLGLLRDFQDGKPHSIEAFGTKLVVFADSKGQLNVLDAYCRHMGGDLSRGEVKGDSIACPFHDWRWNGKGKCTDIPYARRVPPIAKTRAWTTLERNGQLYVWNDPQGNPPPEDVTIPEIAGYGTDEWTDWSWKSLRIKGSHCREIVDNVVDMAHFFYIHYSFPRYFKNVFEGHTATQYMHSTGREDVISGTNYDDPNAELRSEATYFGPSYMIDWLESDANGQTIETILINCHYPVSNNEFVLQYGAIVKKLPGVSDEIAAGMAEQFAEGVQLGFEQDVEIWKNKAP... | 0 |
14,565 | 81,159 | UN | 81,159 | Q8VDQ1 | 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... | MIIQRVVLNSRPGKNGNPVAENFRVEEFSLPDALNEGQVQVRTLYLSVDPYMRCKMNEDTGTDYLAPWQLAQVADGGGIGVVEESKHQKLTKGDFVTSFYWPWQTKAILDGNGLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGVQEKGHISAGSNQTMVVSGAAGACGSLAGQIGHLLGCSRVVGICGTQEKCLFLTSELGFDAAVNYKTGNVAEQLREACPGGVDVYFDNVGGDISNAVISQMNENSHIILCGQISQYSNDVPYPPPLPPAVEAIRKERNITRERFTVLNYKDKFEPGILQLSQWFKEGKLKVKETMAK... | 0 |
14,566 | 81,139 | UN | 81,139 | Q9C666 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>COC1=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.CC(C)(COP(=O)([O-])OP(=O)([O... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.COc1cc(C[C@H]2CN(C(C)=O)[C@... | MFLGGTISTPPASLRLRSTLNPQNAVTQSSSQATFPAAMQRKPPSYSISDEDLESRGFLLRRTTEGLNLDQLNSVFAAVGFPRRDTAKIEVALQHTDALLWVEYEKTRRPVAFARATGDGVFNAIIWDVVVDPSFQSCGLGKAVMERLIEDLQVKGICNIALYSEPRVLGFYRPLGFVSDPDGIKGMVFIRKQRNKK | 0 |
14,567 | 82,563 | UN | 82,563 | Q16635 | *C(=O)OC[C@H](O)COP(=O)([O-])OC[C@H](O)CO.*C(=O)OC[C@@H](O)CO>>[1*]C(=O)OC[C@H](O)COP(=O)([O-])OC[C@@H](O)COC([2*])=O.OCC(O)CO | null | *C(=O)OC[C@@H](O)CO.*C(=O)OC[C@H](O)COP(=O)(O)OC[C@H](O)CO>>OCC(O)CO.[1*]C(=O)OC[C@H](O)COP(=O)(O)OC[C@@H](O)COC([2*])=O | MPLHVKWPFPAVPPLTWTLASSVVMGLVGTYSCFWTKYMNHLTVHNREVLYELIEKRGPATPLITVSNHQSCMDDPHLWGILKLRHIWNLKLMRWTPAAADICFTKELHSHFFSLGKCVPVCRGAEFFQAENEGKGVLDTGRHMPGAGKRREKGDGVYQKGMDFILEKLNHGDWVHIFPEGKVNMSSEFLRFKWGIGRLIAECHLNPIILPLWHVGMNDVLPNSPPYFPRFGQKITVLIGKPFSALPVLERLRAENKSAVEMRKALTDFIQEEFQHLKTQAEQLHNHLQPGR | 0 |
14,568 | 81,139 | UN | 81,139 | P26841 | COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>COC1=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.CC(C)(COP(=O)([O-])OP(=O)([O... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.COc1cc(C[C@H]2CN(C(C)=O)[C@... | MGNYFESPFRGKLLSEQVSNPNIRVGRYSYYSGYYHGHSFDDCARYLMPDRDDVDKLVIGSFCSIGSGAAFIMAGNQGHRAEWASTFPFHFMHEEPVFAGAVNGYQPAGDTLIGHDVWIGTEAMFMPGVRVGHGAIIGSRALVTGDVEPYAIVGGNPARTIRKRFSDGDIQNLLEMAWWDWPLADIEAAMPLLCTGDIPALYRHWKQRQATA | 0 |
14,569 | 80,203 | UN | 80,203 | P81383 | O=C([O-])C1=CC=C(NO)C=C1.[H]O[H].[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.[H][N+]([H])([H])[H] | null | O.O=C(O)c1ccc(NO)cc1>>N.O=C(O)c1ccc(O)c(O)c1 | MNDFLLLLLVLFLGVPRSENHVINLEECFQEPEYENWLATASHGLTKTLNPKKIVIVGAGISGLTAAKLFREAGHEVVILEASDRVGGRIKTHREDGWYVDVGPMRVPQTHRIVREYIKKFNISLNPFRQTDENAWYLIKHVRQKMSANNPENFGYQLNPNERGKSASQLFDETLDKVTDDCTLQKEKYDSFSTKEYLIKEGKLSTGAVEMIGDFLNEEAGFHNSFLISVMDHFLFLNNSFDEITGGFDQLPERFFKDMDSIVHLNSTVEKIVHINNKVTVFYEGLSTNMRLVADYVLITATARATRLIKFVPPLSIPKT... | 0 |
14,570 | 66,716 | UN | 66,716 | B2A3J5 | 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 | MKIFLDTANLNDIKAGVSLGVVDGVTTNPSLVAKEGVSLENRINQIAEICNGPISAEVIADKRDEMVAEAEELTKISPNIVVKIPLTQDGLQATKVLSEKNINTNLTLVFSLNQAILAAKAGATYVSPFVGRVDDIGGNGMQLVEEIVTTFNQYAINTEVIAASIRHPRHVTEAARIGCDIVTIPKAVLEKMVNHPLTDKGIEKFMEDWHKNKQK | 0 |
14,571 | 82,179 | UN | 82,179 | Q3YL68 | 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... | MPTHLRFRRRSFLGLLFLFSLSTSALYFIYSAPGIVNEYLFMVQARGIQIRENVRNMGAQVLEQVVRSAYSINGTDYTYEFNFSETDASPTPFLPEGFTYKPEQVCPEKLPSMKGRLKVNMSEIALDEVEKLLKLNDPGLSVGGHWKPHDCRPRWKVAILVPFRNRHEHLPILFRHLIPALQRQRLQFGFYVIEQAGNEPFNRAMLFNVGFKEAMKDLNWDCVIFHDVDHILENDRNYYGCGEMPRHFAVKLNKYSYMLPYEEFFGGVSGLTVKQFKRINGFPNAFWGWGGEDDDLWNRVQFAGYKVSRPHGELGRYMSI... | 0 |
14,572 | 69,272 | UN | 69,272 | F2WP51 | 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 | MKLNALSTATHGSRSSPVKLWKFSTSFLLAASIIVSGQSWAAETAKPATDATKAANDALLKELPFDDKTSFDLAHKGFIAPLPAEPIKGEKGNMIWDPSKYGFIKEGEAAPDTTNPSLWRQSQLINISGLFEVTDGIYQVRNYDLSNMTIVEGKDGITIFDPLISQETAKAALDLYYKHRPKKPVVAVIYTHSHVDHYGGVRGVVDEADVKAGKVKIYAPLGFLEHAVAENVMAGTAMSRRASYMYGNLLPPDAKGQLGAGLGTTTSAGTVTLIPPTDIIKETGETHVIDGLTYEFMYAPGSEAPAEMLYYIKEKKALNA... | 0 |
14,573 | 66,716 | UN | 66,716 | Q21ZD6 | 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 | MNQLDALKQFTTVVADTGDFKQIEAYQPTDATTNPSLILKAVQKPDYRALLTDTVAQFRGRPLDELMDRLLVRFGCEILSIIPGRVSTEVDARLSFDTVASVARAERLIELYQGQGIHVDRVLIKVAATWEGIAAAEQLERRGIHTNLTLLFSFCQAVACAQAKVQLISPFVGRIYDWYKKSAGAAWVEQDNAGAHDPGVQSVRQIFNYYKKFGIATEIMGASFRNVGQITALAGCDLLTISPELLAQLSACKAPLARSLDANAAQSLDLTAVNYDEAGFRFALNEDAMATEKLAEGIRAFCVDAAKLDQLLLAA | 0 |
14,574 | 79,287 | UN | 79,287 | Q2G1M8 | [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 | MIVVQTLFIHIYQIQFVITRRYRIVNQTILNRVKTRVMHQLVSSLIYENIVVYKASYQDGVGHFTIEGHDSEYRFTAEKTHSFDRIRITSPIERVVGDEADTTTDYTQLLREVVFTFPKNDEKLEQFIVELLQTELKDTQSMQYRESNPPATPETFNDYEFYAMEGHQYHPSYKSRLGFTLSDNLKFGPDFVPNVKLQWLAIDKDKVETTVSRNVVVNEMLRQQVGDKTYEHFVQQIEASGKHVNDVEMIPVHPWQFEHVIQVDLAEERLNGTVLWLGESDELYHPQQSIRTMSPIDTTKYYLKVPISITNTSTKRVLAP... | 0 |
14,575 | 50,684 | UN | 50,684 | Q61024 | [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 | MCGIWALFGSDDCLSVQCLSAMKIAHRGPDAFRFENVNGYTNCCFGFHRLAVVDPLFGMQPIRVRKYPYLWLCYNGEIYNHKALQQRFEFEYQTNVDGEIILHLYDKGGIEKTICMLDGVFAFILLDTANKKVFLGRDTYGVRPLFKAMTEDGFLAVCSEAKGLVSLKHSTTPFLKVEPFLPGHYEVLDLKPNGKVASVEMVKYHHCTDEPLHAIYDSVEKLFPGFDLETVKNNLRILFDNAIKKRLMTDRRIGCLLSGGLDSSLVAASLLKQLKEAQVQYPLQTFAIGMEDSPDLLAARKVANYIGSEHHEVLFNSEEG... | 0 |
14,576 | 78,767 | UN | 78,767 | Q9S9P6 | O=C1/C=C(/C2=CC=C(O)C(O)=C2)OC2=C1C(O)=CC([O-])=C2[C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12 | null | O=C1[C@@H](O)[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccc(O)c(O)c4)oc23)O[C@H](CO)[C@H]1O>>O=C1C(O)=CO[C@H](CO)[C@H]1O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | MTKFSEPIRDSHVAVLAFFPVGAHAGPLLAVTRRLAAASPSTIFSFFNTARSNASLFSSDHPENIKVHDVSDGVPEGTMLGNPLEMVELFLEAAPRIFRSEIAAAEIEVGKKVTCMLTDAFFWFAADIAAELNATWVAFWAGGANSLCAHLYTDLIRETIGLKDVSMEETLGFIPGMENYRVKDIPEEVVFEDLDSVFPKALYQMSLALPRASAVFISSFEELEPTLNYNLRSKLKRFLNIAPLTLLSSTSEKEMRDPHGCFAWMGKRSAASVAYISFGTVMEPPPEELVAIAQGLESSKVPFVWSLKEKNMVHLPKGFL... | 0 |
14,577 | 76,243 | UN | 76,243 | Q9K8I7 | *NCC(=O)NCC(*)=O.[H]O[H]>>*C(=O)C[NH3+].*NCC(=O)[O-] | null | *NCC(=O)NCC(*)=O.O>>*C(=O)CN.*NCC(=O)O | MTSKRFAIMEQPIVIQQVIDQVVHPHAGAINTFIGTVRELTKGKRTLYLQYEAYPSMAEKKLAQIGQEIQERWPEARVAITHRIGRLEITDVAVVIAVSTPHRADSYEASRYAIERIKEIVPIWKKEHWEDGEMWVGDQLETTSYPEGAPKMEEEE | 0 |
14,578 | 80,947 | UN | 80,947 | B3EAE0 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.[NH3+]CC(=O)[O-]>>[1*][C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+] | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[1*][C@@H](O)CC(=O)NCC(=O)O | MPLQLLSQRLEKTQHDGLYRSLRSVERTTPQVFVEGRQALLFCSNNYLGLAEHPSLAQAAADAALQYGTSSAASRLVSGNQPLHAMLEAKLSAWKGTETALLFNSGYAANTGIIAALAGRGDIIFSDRLNHASIIDGALLSGARLIRYPHNDTLALARLLEQHQTDGLRLIVTDGVFSMDGDIAPLQGIADLAEQHRALLMVDDAHAGGVLGQQGRGTVDFCGVTGRVAIQMGTFGKALGSFGAYAACSRLVRDYLINRSRSLIFSTSLPPAVLAASAAAVELVQAEEGQQLRQQLTDNSHLLRYLLQQAGYKVPDGCTP... | 0 |
14,579 | 27,630 | UN | 27,630 | A0A0S1X9S7 | OCCO.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]C(=O)CO.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+] | 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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.OCCO>>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=CCO | MQFFSLKTRIVLGEGSLSYIKSVAKKHSRVLIFSSKSMRVHGFLNETMNYVEDANAEVEAITGVPAEPSYEYVESIMPKVREFQPDLIVALGGGSVIDVAKAVKVFYDAPELKFEEVAFISRFEKPKPIPKLKTPLIAIPSTSGAGSEVSAASVLKKGDIKYNLVSFEIAPEFAILDPRLPRTMPKEVARNSGLDVLVHGIEAYTTTAATPFSDAMAIKAIKLVYKWLPLSVQGDEKARENVHYAATMAGIAFLNARLGLCHSLSHKAAWIAPHGLLNAIFLPYVMEFNMRSEYARKRYAEIARELGFNTAQELIEVIRE... | 0 |
14,580 | 81,495 | UN | 81,495 | Q9FS87 | 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=... | MHKLFVARSVKSALFRIKNHQKPQFAAFSTSLLFDDTQKQFKESVAQFAQENIAPHAEKIDRTNYFPQDVNLWKLMGNFNLLGITVPEEYGGLGLGYLYHCIAMEEISRASGSVGLSYGAHTNLCINQLVRNGTHEQKQKYLPKLISGEHVGALAMSEPNAGSDVVSMKCKADRVEGGYVLNGNKMWCTNGPTAQTLVVYAKTDVTAGSKGITAFIIEKGMTGFSTAQKLDKLGMRGSDTCELVFENCFVPEENVLGQVGRGVYVLMSGLDLERLVLASGPVGIMQACLDVVLPYVKQREQFGRPIGEFQFVQGKVADMY... | 0 |
14,581 | 80,871 | UN | 80,871 | A0A125SXN1 | CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@]1(O)CC[C@]2(C)[C@@]([H])(CC/C(C)=C/CC3=C(O)C=C(C)OC3=O)C(=C)CC[C@@]2([H])C1(C)C | null | C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H]2C(C)(C)[C@@H](O)CC[C@]2(C)[C@H]1CC/C(C)=C/Cc1c(O)cc(C)oc1=O | MWKLKIAEGSPGLDTLNDHVGRQIWCYEKDAGTPEEHAEVEEARAKFTEQRHEQRQSADILMKLQLLKENSFSPLPTQPKVDRFEDITEDAVQTTLRRALRFFAAIQAHDGHWPGDHAGLMFLTPCLVICLYVTGALNTVLSEAHRQEMRRYLYNHQNKDGGWGLNIESHSTMFCTVFSYVTLRLLEEGPHDGDEGAMESARLWILDHGGAIAIPSWGKFWLAVLGVFEWSGVHPMPPEIWFLPHFLPIHPGQMNIHGKLILLPMTYIYGRQFVGPITSLVKALRGEIFSTHYNTIDWQEARTMCAKEDRYYSTPFVQDL... | 0 |
14,582 | 64,872 | UN | 64,872 | B5XZ54 | O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO>>[H]C(=O)CO.O=C(CO)COP(=O)([O-])[O-] | null | O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO>>O=C(CO)COP(=O)(O)O.O=CCO | MQTIIDAWFVQGMIKATSDAWLKGWDERNGGNLTLRLDEADIEPYAADFHAKPRYIALSQPMPILANQPFIVTGSGKFFRNVQLDPAANLGVVKVDSDGAGYHILWGLTEDAVPTSELPAHFLSHSERIKLTGGKDRVIMHCHATNLIALTYVLENHSDLFTRKLWEGSTECLVVFPDGVGILPWMVPGTDEIGQATAETMQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAEVLVKVLSMGGMKQTITREELIALGKRFNVQPLQSALDLYP | 0 |
14,583 | 80,759 | UN | 80,759 | Q8VPD4 | O=C(OCCO)C1=CC=C(C(=O)OCCO)C=C1.[H]O[H]>>O=C([O-])C1=CC=C(C(=O)OCCO)C=C1.OCCO.[H+] | null | O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)OCCO)cc1.OCCO | MAFTRRSFMKGLGATGGAGLAYGAMSTLGLAPSTAAPARTFQPLAAGDLIGKVKGSHSVVVLGGGPAGLCSAFELQKAGYKVTVLEARTRPGGRVWTARGGSEETDLSGETQKCTFSEGHFYNVGATRIPQSHITLDYCRELGVEIQGFGNQNANTFVNYQSDTSLSGQSVTYRAAKADTFGYMSELLKKATDQGALDQVLSREDKDALSEFLSDFGDLSDDGRYLGSSRRGYDSEPGAGLNFGTEKKPFAMQEVIRSGIGRNFSFDFGYDQAMMMFTPVGGMDRIYYAFQDRIGTDNIVFGAEVTSMKNVSEGVTVEYT... | 0 |
14,584 | 77,231 | UN | 77,231 | Q8H5F8 | 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 | MMAVTNGVIHASSREPLFSFGVIADVQYADIPDGRSFLGVPRYYRHSISVLQRAVSTWNKQHNIKFSINFGDIIDGYCPKDKSLWAVQKVLDEFEKFDGPTYHMFGNHCLYNLPRGKLVSLLKMPTDSDRAYYDFSPCPEYRFVVLDAYDFSALGWPRDHPVTAEAMKFLEEKNPNSDKNSPDGLVGVDRRFVMFNGGVGKEQLSWLNDVLQDASARRQNVILCSHLPMDPGSASFAALMWNYDEVMAIVRQYKCVKACFAGHDHKGGHSVDSHGVHHRTLEAALECPPGTSAFGHIEVYPDKLLLVGSDKMADTEMCFE... | 0 |
14,585 | 73,655 | UN | 73,655 | Q88JH5 | [H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.[Fe+3].[Fe+3]>>C[NH+]1CCC=C1C1=CC=CN=C1.[Fe+2].[Fe+2].[H+].[H+] | 1.4.2.2 | CN1CCC[C@H]1c1cccnc1.[Fe+3].[Fe+3]>>CN1CCC=C1c1cccnc1.[Fe+2].[Fe+2] | MTIRSLPALSPLALSVRVLLMAGSLALGNVATAASTPAAPAGKNVTWEDIANDHLTTQDVLQYGMGTNAQRWSPLAQVNDKNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVVYVTGSYSRVFALDAKTGKRLWTYNHRLPDNIRPCCDVVNRGAAIYGDKIYFGTLDARVIALDKRTGKVVWNKKFGDHSAGYTMTGAPVLIKDKTSGKVLLIHGSSGDEFGVVGQLFARDPDTGEEVWMRPFVEGHMGRLNGKDSTPTGDVKAPSWPDDPTTETGKVEAWSHGGGAPWQSASFDPETNTIIVGAGNPGPWNTWARTSK... | 0 |
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