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 |
|---|---|---|---|---|---|---|---|---|---|
13,870 | 46,784 | UN | 46,784 | Q96456 | *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 | MAIRINTATFQSDLYRSFAFPQPKPLRSPKFAMASTIGSATTKVESTKKPFTPPREVHQQVLHSMPPQKIEIFKSMEGWAENNILVHLKPVEKCWQAQDFLPDPASDGFMEQVEELRARAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGATLLLGLVWTRAWTAEENRHGDLLHQYLYLSGRVDMRQIQKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARHAKEHGDVKLAQMCGIIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFENFSAVAQ... | 0 |
13,871 | 56,480 | UN | 56,480 | P16099 | *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(*)=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=C(Br)C(Br)=C(Br... | null | *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.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)c1[nH]c(Br)c(Br)c1Br)C(*)=O.Cc1cc2... | MARDPKHDILFEPIQIGPKTLRNRFYQVPHCIGAGSDKPGFQSAHRSVKAEGGWAALNTEYCSINPESDDTHRLSARIWDEGDVRNLKAMTDEVHKYGALAGVELWYGGAHAPNMESRATPRGPSQYASEFETLSYCKEMDLSDIAQVQQFYVDAAKRSRDAGFDIVYVYGAHSYLPLQFLNPYYNKRTDKYGGSLENRARFWLETLEKVKHAVGSDCAIATRFGVDTVYGPGQIEAEVDGQKFVEMADSLVDMWDITIGDIAEWGEDAGPSRFYQQGHTIPWVKLVKQVSKKPVLGVGRYTDPEKMIEIVTKGYADIIG... | 0 |
13,872 | 78,787 | UN | 78,787 | O15488 | 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 | MSETEFHHGAQAGLELLRSSNSPTSASQSAGMTVTDQAFVTLATNDIYCQGALVLGQSLRRHRLTRKLVVLITPQVSSLLRVILSKVFDEVIEVNLIDSADYIHLAFLKRPELGLTLTKLHCWTLTHYSKCVFLDADTLVLSNVDELFDRGEFSAAPDPGWPDCFNSGVFVFQPSLHTHKLLLQHAMEHGSFDGADQGLLNSFFRNWSTTDIHKHLPFIYNLSSNTMYTYSPAFKQFGSSAKVVHFLGSMKPWNYKYNPQSGSVLEQGSASSSQHQAAFLHLWWTVYQNNVLPLYKSVQAGEARASPGHTLCHSDVGGPC... | 0 |
13,873 | 13,961 | UN | 13,961 | A5GUA9 | 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)... | MELTLWTYEGPPHVGAMRIAASMQGVHYVLHAPQGDTYADLLFTMIERRDQRPPVTYTTFQARDLGGDTAELVKRSIRDAADRFQPQALLVGESCTAELIQDQPGALAQGMNLPMPVVSLELPAYSKKENWGAAETFYQLIRTLLKPQLPPAGLSKPDPKRWQEQGRRPRVNLLGPSLLGFRCRDDVREVRVLLDELGIDTHVVAPLGASPEDLRRIPQAEANICLYPEVADSSCRWLERQFGMPTVSTVPIGIGATEMFCRELQELLGLEPTSQGSGQSRMPWYSRSVDSTYLTGKRVFIFADATHAIAAARIASRELG... | 0 |
13,874 | 56,352 | UN | 56,352 | Q5H038 | [Br-].O=C([O-])C1=CC=C(O)C=C1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+]>>O=C([O-])C1=CC(Br)=C(O)C=C1.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([... | 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)cc1.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)c1ccc(O)c(Br)c1 | MNPVSPRSLTLIGAGLAGCLLAILLSRRGWQITVYERRGDPRIKGYECGRSINLALAERGRHALRQAGAEEVVMAKAVMMRGRMVHPLVGEPQLQRYGRDDSEVIWSIHRAALNVALLDLAEQAGARVHFYRRLHTVDFDAGYARFIDDRDDQPHEIHFQSLIGSDGAGSALRAAMQRKSPLGERTEFLDHSYKELEIPPLPGGGFRIEGNALHIWPRGRYMFIALPNDGGTFTVTLFLPNAGEPSFATTRNGDEAFALFARDFPDALPLIPQLKQHWEEHPPGLLGTLTLDRWHLDGRALLIGDAAHAMVPFHGQGMNC... | 0 |
13,875 | 81,075 | UN | 81,075 | Q8GZU0 | [H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(CO)CCC[C@]2(C)CO.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@@]12[C@H](OC(=O)C3=CC=CC=C3)CC3=C(COC3=O)[C@@]1(COC(C)=O)CCC[C@]2(C)CO.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[... | null | CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.C[C@]1(CO)CCC[C@]2(CO)C3=C(C[C@@H](OC(=O)c4ccccc4)[C@@H]12)C(=O)OC3>>CC(=O)OC[C@]12CCC[C@](C)(CO)[C@@H]1[C@H](OC(=O)c1ccccc1)CC1=C2COC1=O.CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)... | MDSITMVETETLSKTLIKPSSPTPQSLSHYNLSYNDQNIYPEYIFAGFFYSNPDGHEISTIREQLQNSLSKTLVSYYPFAGKVVKNDYIHCNDDGIEFVDVRIHCRMNDILKPELRSYASELIRPNRSTVGSEDSTALVQLSHFDCGGVAVAFGISHKVADAATILSFIKDWAASTCDLSSSHDVSTPVLVSDSIFPRQDNIICGQFPASPNCVRKRFLFSPEAIERLKSKAIEFGIEKPTRVEVLTAFLCRCATVAGKSAAKNNNCGQSLPFAVIQAVNLRPLLELPKNSVGNLISIYFSTIKENDTVNIEQEFTKLVI... | 0 |
13,876 | 50,684 | UN | 50,684 | P42113 | [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 | MCGLAGIINLAAPRSQECTFHILKGMADAISYRGPDDEQYHIDSKVGFAFRRLSILDLVNGQQPFLNEDGSIVVMVNGEIYNYKELKASLHNHMFKTTSDCEVIVHLYEEKGIGFVDDIIGMFSIAIWDKNKNKVFLVRDRFGIKPLFYTELKHELIFASEIKSLFSHPHCPRQFNWKEALSDIWLSGEAASNHKETTSFFVNIQNLDAGHYLEINLTTNERKTASYWSLQDILLRQGYRENLHPDDLIEGYRELLADSVHRCLQSDVEVGLFLSGGIDSAAVAHFAAEKQDLHTFTVLSQSTFTNEDAKYAHWLAKDLH... | 0 |
13,877 | 59,232 | UN | 59,232 | A0A348AUV9 | 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 | MASSQVGDMVNGNAEPTRHLAKFPPSLWGDRFTSFTLDKQLWDKYGNEIEVLKEQVRSMVVAGGRKAAEQINLINVLERLGVSYHFEKEIEEQLEQLFAKFEDNEDYDLFTIALHFRIFRQHGYKMSCDVFNKFRDSNGEFKETMSNDVQGMLSLYEATYLKIRGEGFLDEAHAFTIAQLESLVGGPHLSSDLSEQVMHALKQSIHRGFPRLEAKHFISFYEKDASRNETLLRLAKLDFNQLQLSHREELCHIFRWWKELDLISKVPYARDRAVECFFWSTCAYYEPQHFVGRAVLTKIMLLLSVTDDTYDAYGTYDELK... | 0 |
13,878 | 75,763 | UN | 75,763 | Q9WV07 | 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 | MAVYRLCVTTGSYLKAGTLDNIYATLVGTCGESPKQKLDRVGRDFASGSVQKYKVRCEAELGEILLLRLHKERFAFFCKDPWYCSRICVTAPDGSAVHFPCYQWIDGYCTVELRPGTARTICQDSLPLLLDHRKRELQARQECYRWKIFAPGFPRMVDVSSFQEMESDKKFALTKTVPCAEQDDNSGNRYLPGFPMKIDIPSLLHMEPNIRYSATKTASLIFNALPASFGMKIRGLLDRKGSWKRLDDIRNIFWCHKTFTSEYVTEHWCEDSFFGYQYLNGVNPVMLHCLSSLPSKLPVTNDMVAPLLGPGTCLQTELER... | 0 |
13,879 | 65,788 | UN | 65,788 | P30100 | 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 | MALRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSMKLTAGSVDTTA... | 0 |
13,881 | 77,183 | UN | 77,183 | O74267 | 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 | MNQDMELPEAYTSASNDFRSDTFTTPTREMIEAALTATIGDAVYQEDIDTLKLEQHVAKLAGMEAGMFCVSGTLSNQIALRTHLTQPPYSILCDYRAHVYTHEAAGLAILSQAMVTPVIPSNGNYLTLEDIKKHYIPDDGDIHGAPTKVISLENTLHGIIHPLEELVRIKAWCMENDLRLHCDGARIWNASAESGVPLKQYGELFDSISICLSKSMGAPMGSILVGSHKFIKKANHFRKQQGGGVRQSGMMCKMAMVAIQGDWKGKMRRSHRMAHELARFCAEHGIPLESPADTNFVFLDLQKSKMNPDVLVKKSLKYGC... | 0 |
13,882 | 77,659 | UN | 77,659 | Q64VX6 | [H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O.CO.NC1=NC=NC2=... | null | C/C=C/CCCCC[C@H]1C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@H](O)C(=O)CC/C=C/C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C/CCCCC[C@H]1C=C2C34OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@@H](C(=O)CC/C=C/C)O4.CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O... | MKLKRLYPPQKSVNSLHSETGTRCEVAGCPPLRKEALLFFAGWGMDETPFMHNLPPNKDLIICYDYRSLDFDSTLLSTYEGIYVVAWSMGVWAASQVLPDSNLPLKQSIAINGTPFPIDDMRGIPPAIFEGTLNNLNEATLQKFRRRMCGSGSAFQAFLEIAPQRPVEELKEELAAIGRQYSELPLSTFVWNKAIIGESDHIFPPKNQEQAWQKYCNEIQRYDGAHYDEKILKENLAPAAASSKLLIAQRFTKAIGTYPHEARVQQQIARKMCSLLQQHLPAHSLRRVVEFGCGTGTYSRLLLRSFRPEHLLLNDLCEEM... | 0 |
13,883 | 76,143 | UN | 76,143 | I3V6A7 | [H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N[C@@]43O1)[C@@H]2C(=O)OC.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@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N(C)[C@@]43O1)[C@@H]2C(=O)OC.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[... | null | C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MATNGEIFNTYGHNRQTATVTKITASNESSNGVCYLSETANLGKLICIPMALRAAMELNVFQLISKFGTDAKVSASEIASKMPNAKNNPEAAMYLDRILRLLGASSILSVSTTKKSINRGGDDVVVHEKLYGLTNSSCCLVPRQEDGVSLVEELLFTSDKVVVDSFFKLKCVVEEKDSVPFEVAHGAKIFEYAATEPRMNQVFNDGMAVFSIVVFEAVFRFYDGFLDMKELLDVGGGIGTSVSKIVAKYPLIRGVNFDLPHVISVAPQYPGVEHVAGDMFEEVPKGQNMLLKWVLHDWGDERCVKLLKNCWNSLPVGGKV... | 0 |
13,884 | 79,295 | UN | 79,295 | A6U4F3 | [NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)O.NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFAAAKIGYHRLFDIKPVNTRYGGRIIFVDDCIDLNHYISFLESTPKQVVYETV | 0 |
13,885 | 30,479 | UN | 30,479 | Q9GMC8 | 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 | MWELLVFLLFAVAYFLWPKAKCPGAKYPKSLPSLPLVGSLLFLPRSGHPHKNFFKLQKKYGPIYSFRLGTKTTVMVGDHQLAKEVLVKKGKEFSGRPHVVTLDILSDNQKGIAFADHGASWQMHRKLALATFALFKDGDQRLEKIICREISLLCDNLAMQDGQSIDLYLPLFLAVTNIICLICFNSSFKNGDPALKIIQNYNEGILKTLGKDNLVDIFPVLKIFPNKTLEKMKNYVKNRDELLREILEKHKENFSNDSITNMLDVLIQARMNSDNNGAASDQDSKLLSDKHILTTIGDIFGAGVETTTSVVRWTVAFLLH... | 0 |
13,886 | 76,447 | UN | 76,447 | P19468 | [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 | MGLLSQGSPLSWEETQRHADHVRRHGILQFLHIYHAVKDRHKDVLKWGDEVEYMLVSFDHENRKVQLLLNGGDVLETLQEKGERTNPNHPTLWRPEYGSYMIEGTPGQPYGGTMSEFNTVEDNMRKRRKEATSVLGEHQALCTITSFPRLGCPGFTLPEHRPNPEEGGASKSLFFPDEAINKHPRFGTLTRNIRHRRGEKVVINVPIFKDKNTPSPFVETFPEDEEASKASKPDHIYMDAMGFGMGNCCLQVTFQACSISEARYLYDQLATICPIVMALSAASPFYRGYVSDIDCRWGVISASVDDRTREERGLEPLKNN... | 0 |
13,887 | 80,847 | UN | 80,847 | A0A5F8AH41 | C[NH2+][C@@H](CC1=CNC2=C1C=CC=C2)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[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)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.[H+] | null | CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)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>>CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MSGADRIPAAGAAPDSASGRAAVASAYQRFEPRAYLRNNYAPPRGDLCNPNGVGPWKLRCLAQTFATGEVSGRTLIDIGSGPTVYQLLSACSHFEDITMTDFLEVNRQELGRWLREEPGAFNWSMYSQYACLIEGKGESWQEKERQLRARVKRVLPIDVHQPQPLGTGSPAPLPADTLVSAFCLEAVSPDLASFQRALDHITTLLRPGGHLLLIGALEESWYLAGEARLMVVPVSEEEVREALVRSGYEVRDLRTYIMPAHLQTGVDDVKGIFFAWAQKVGL | 0 |
13,888 | 64,168 | UN | 64,168 | Q9AGP0 | CC[C@]([NH3+])(CO)C(=O)[O-]>>CC[C@H]([NH3+])C(=O)[O-].[H]C([H])=O | null | CC[C@](N)(CO)C(=O)O>>C=O.CC[C@H](N)C(=O)O | MASNTLIESTSLRRSPAEHLAEAMAQGSTAGAVVLREIAFATQVGVRAVPGSAGHAALAAALGTGLPQQVGEVAGAAEGTAVLWLGPDEFLAIAPEGSGLAGELVAALGGEPGQVIDLSANRSVLELSGPAAPLVLRKSCPADLHPRAFGVNRAIATTLANIPVLLWRTGEQSWYVLPRVFFTEHTVHWLIDAMTEFASPTVA | 0 |
13,889 | 79,231 | UN | 79,231 | A0A017SP50 | [H][C@@]12C3=CNC4=C3C(=CC=C4)C(C)(C)[C@@]1([H])CC[C@](C)(C=C)[C@@H]2[N+]#[C-].CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-].[H+]>>[H][C@@]12C3=C(C(C)(C)C=C)NC4=CC=CC(=C43)C(C)(C)[C@@]1([H])CC[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]2CC[C@]1(C)C=C>>C#[N+][C@@H]1[C@@H]2c3c(C(C)(C)C=C)[nH]c4cccc(c34)C(C)(C)[C@H]2CC[C@]1(C)C=C.O=P(O)(O)OP(=O)(O)O | MPSEVLTSYYDYPTHDQEAWWRDTGPLFGRFLKGAGYDVHTQYQYLVFFIKNILPSLGPYPARWRSTITPTGLPIEYSLNFQLNSRPLLRIGFEPLSRFSGTPQDPYNKIAAADLLNQLSKLQLHEFDTQLFNHFTNEFELSKSESESLQKQGGINGKSTVRSQTAFGFDLKGGRVAVKGYAFAGLKNRATGTPVGQLISNSIRNLEPQMHCWDSFSILNSYMEESDGWNEYSFVSWDCVDIERSRLKLYGVHNAVTWDKVKEMWTLGGRIENNATIKTGLELLQHMWSLLQINEGDRDYKGGFAADNGGKTLPIIWNYE... | 0 |
13,890 | 80,647 | UN | 80,647 | P07740 | *CS(=O)(=O)[O-].[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[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([H])=O.O=S([O-])[O-].[H+].[H+].[H+] | null | *CS(=O)(=O)O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>*C=O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41 | MKFGNFLLTYQPPELSQTEVMKRLVNLGKASEGCGFDTVWLLEHHFTEFGLLGNPYVAAAHLLGATETLNVGTAAIVLPTAHPVRQAEDVNLLDQMSKGRFRFGICRGLYDKDFRVFGTDMDNSRALMDCWYDLMKEGFNEGYIAADNEHIKFPKIQLNPSAYTQGGAPVYVVAESASTTEWAAERGLPMILSWIINTHEKKAQLDLYNEVATEHGYDVTKIDHCLSYITSVDHDSNRAKDICRNFLGHWYDSYVNATKIFDDSDQTKGYDFNKGQWRDFVLKGHKDTNRRIDYSYEINPVGTPEECIAIIQQDIDATGI... | 0 |
13,891 | 79,283 | UN | 79,283 | A6QJR2 | [NH3+]CCCCN(O)C(=O)CCC(=O)[O-].[NH3+]CCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>[NH3+]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-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCN(O)C(=O)CCC(=O)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>>NCCCCN(O)C(=O)CCC(=O)NCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OP(=O)(O)O | MYSIKMRSSNQDVHISGAETICEFDKIEQTVQRFYNKGFFHENGQPDFLNIKIQKIMEPIQQIKALQIIEDDKANLQHLTQECGVTEQALNQGMTYIKNETVYTGAIILSAISGKRLDSFGQRGIRATHFSFEDINNKGDLNERVTDALAIASCINAHPYVKGELCVSDDLTYTTGYFAAAKIGYHRLFDIKPVNTRYGGRIIFVDDCIDLNHYISFLESTPKQVVYETV | 0 |
13,892 | 78,503 | UN | 78,503 | P76621 | CC(=O)N(O)CCCP(=O)([O-])O.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)([O-])O.O=C([O-])CCC(=O)[O-].O=C=O | null | CC(=O)N(O)CCCP(=O)(O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)(O)O.O=C(O)CCC(=O)O.O=C=O | MNALTAVQNNAVDSGQDYSGFTLTPSAQSPRLLELTFTEQTTKQFLEQVAEWPVQALEYKSFLRFRVAKILDDLCANQLQPLLLKTLLNRAEGALLINAVGVDDVKQADEMVKLATAVAHLIGRSNFDAMSGQYYARFVVKNVDNSDSYLRQPHRVMELHNDGTYVEEITDYVLMMKIDEQNMQGGNSLLLHLDDWEHLDNYFRHPLARRPMRFAAPPSKNVSKDVFHPVFDVDQQGRPVMRYIDQFVQPKDFEEGVWLSELSDAIETSKGILSVPVPVGKFLLINNLFWLHGRDRFTPHPDLRRELMRQRGYFAYASNH... | 0 |
13,893 | 80,263 | UN | 80,263 | C5CAM5 | COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>COC1=CC=C(/C=C2\NC(=O)[C@H](CCCNC(N)=[NH2+])NC2=O)C=C1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N... | null | COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>COc1ccc(/C=C2\NC(=O)[C@H](CCCNC(=N)N)NC2=O)cc1OCC[C@H](NC(=O)C[C@](O)(CC(=O)N[C@@H](CC(=O)O)C(=O)O)C(=O)O)C(=O)O.Nc1ncnc2c1ncn2[C... | MKERIILAYSGGLDTSVAIGWIAEATGAEVVAVAVDVGQGGESLETIRQRALDCGAVEAYVADARDEFAEQYCMPTLKANALYMDAYPLVSAISRPVISRHLVAAARQFGASTVAHGCTGKGNDQVRFEVSIQTLGPDLKCIAPVRDLALTREKAIEYAERNDLPIVTTKKNPFSIDQNVWGRAVETGFLEDIWNGPTKDVYDYTDDPAFPPAPDVVTIAFERGVPTALDGRALSPLEIIEELNRRAGAQGVGRIDIVEDRLVGIKSREIYEAPGAMALIAAHRELENVTLEREQARFKKHVDQRWTELVYDGQWYSPLK... | 0 |
13,894 | 80,295 | UN | 80,295 | A0A0K0PVL3 | [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 | MKSELIFLPVPAFGHLVGMVEMAKLFISRHENLSVTVLISKFFIDTGIDNYNKSLLAKPTPRLTIINLPEIDPQKYLLKPRCAIFPSLIENQKTHVRDVMSRMTQSESTRIVGLLADILFVDIFDIADEFNVPTYVYSPAGTGFLGLAFHLQTLNDDKKQDVTEFRNSDTELLVPSFANPVPAEFSPSIFLEKDGRHDVLLSLYRRCREAKGIIVNTFEELEPYAINSLRMDSMIPPIYPVGPILNLNGEGQNSDEAAVILGWLDDQPPSSVVFLCFGSFGSFPENQVKEIAMGLERSGHRFLWSLRPCISEGETTLQLK... | 0 |
13,895 | 77,075 | UN | 77,075 | Q9GLD2 | 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)[... | MWELVALLLLTLAYLFWPKRRCPGAKYPKSLLSLPLVGSLPFLPRHGHMHNNFFKLQKKYGPIYSVRMGTKTTVIVGHHQLAKEVLIKKGKDFSGRPQVTTLDILSNNRKGIAFADYGAHWQLHRRLAMATFALFKDGDQKLEKIICQEISTLCDMLATHNGQTIDISFPVFVAITNVISLICFNISYKNGDPELKIVHNYNEGIIDSLGKESLVDLFPWLKVFPNKTLEKLKRHVKTRNDLLTKIFENYKEKFRSDSITNMLDVLMQAKMNSDNGNAGPDQDSELLSDNHILTTIGDIFGAGVETTTSVVKWIVAFLLH... | 0 |
13,896 | 12,000 | UN | 12,000 | Q9ZRI8 | [H]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](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>O=C=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 | 1.17.1.10 | 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=CO>>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 | MAAMWRAAARQLVDRAVGSRAAHTSAGSKKIVGVFYQAGEYADKNPNFVGCVEGALGIRDWLESKGHHYIVTDDKEGFNSELEKHIEDMHVLITTPFHPAYVTAEKIKKAKTPELLLTAGIGSDHIDLPAAAAAGLTVARVTGSNTVSVAEDELMRILILLRNFLPGYQQVVKGEWNVAGIAHRAYDLEGKTVGTVGAGRYGRLLLQRLKPFNCNLLYHDRLQINPELEKEIGAKFEEDLDAMLPKCDVVVINTPLTEKTRGMFNKEKIAKMKKGVIIVNNARGAIMDTQAVADACSSGHIAGYGGDVWFPQPAPKDHPW... | 0 |
13,897 | 74,071 | UN | 74,071 | Q1IHD2 | *C(=O)O[C@H](*)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)([O-])[O-])[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)[O-])C[C@@H](O[C@]3(C(=O)[O-])C[C@@H](O)[C@@H](O)[C@@]([H])([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@]([H])([C@H](O)CO)O2)[C@@H](OP(=O)(... | 2.4.99.24 | *C(=O)O[C@H](*)CC(=O)N[C@H]1[C@H](OC[C@H]2O[C@H](OP(=O)(O)O)[C@H](NC(=O)C[C@@H](*)O)[C@@H](OC(=O)C[C@@H](*)O)[C@@H]2O)O[C@H](CO[C@]2(C(=O)O)C[C@@H](O[C@]3(C(=O)O)C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O3)[C@@H](O[C@H]3O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H]... | MNPLSALFGAGVATRNAMFDRSLLKQQRLRGPVVSVGNLCVGGTGKTPFTQLLGDLLMQREIDFDVLSRGYGRESTEIKIVELDGSPNEFGDEPLLLAKYFAAKKPENPPRVIVGADRYEAGRFAEQKFGPRLHLLDDGFQHRGLARDFDIVLLAPDDADQVLLPVGRLREPLTALKRAHAVVATDEVKIEAFPVMPPLVWRVERDIALPEQLSRNARVLAFCAIARPHRFFTDLRRHGLEPVAELTFRDHHRYSAADIEKIVREISSSRADCCVTTIKDMMNLGELVHRLAPIYAVRLSLKLRDADAALDEIIKIIERR... | 0 |
13,898 | 80,295 | UN | 80,295 | E2IUA9 | [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 | MWKLKIADGGSNPYIFTTNNFVGRQIWEFDPQATDPQQLAKVEAARLDFYHNRYKLKPNSDLLWRMQFLEEKAFTQTIPQVKVEDGEEVSYEAVTAALRRGVHLYSALQASDGHWPAENAGPMFFMPPMVMCLYITGHLNAIFTEEHRSETLRYIYYHQNEDGGWGFHIEGHSTMFGTVLNYICMRLLGEGPEGGQDNAVSRGRKWILDHGGATSIPSWGKTWLSIMGLCDWSGCNPMPPEFWLLPSYLPMHPGKMWCYCRMVYMPMSYLYGKRFTARITPLILQLREEIHIQPYDQIDWKKVRHVCCKEDMYYPHPLLQ... | 0 |
13,899 | 76,679 | UN | 76,679 | Q5WKZ1 | [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... | MGETTVEVRKVKNYINGKWIESSTSLYEDVVNPATKEVICQVPLSTKADVEYAVEAAKTAFAKWSKVAVPRRARILFNYQQLLQRDKEELARLITIENGKNLTEARGEVQRGIENVEFAAGAPSLMMGDSLPMIATDVEASNYRYPIGVVGGIAPFNFPMMVPCWMFPMAIALGNAFLLKPSERTPLLTEKLADLLTEAGVPDGVFNVVYGAHDVVNGMLEHPDIKAISFVGSKPVGEYVYKKASENLKRVQALTGAKNHTIVLNDADLDDAVTNIAGAAFGSAGERCMACAVVTVEEGIADAFVAKLKAKAESLVMGNG... | 0 |
13,900 | 49,512 | UN | 49,512 | Q9ZND9 | 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 | MPRVWKFGDQINTDDILPGKYAPFMVGEDRFHLYAFAHLRPEFAKEVRPGDILVFGRNAGLGSSREYAPEALKRLGVRAIIAKSYARIFFRNLVNLGIVPFESEEVVDALEDGDEVELDLESGVLTRGEERFALRPPPPFLLEALKEGSLLDYYKKHGRFPGE | 0 |
13,901 | 79,847 | UN | 79,847 | Q3ABU4 | *P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)... | null | *P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c... | MPVDELKRQLEIIKRGVAEIVPEEELVEKLKKSLNEGKPLRVKLGLDPTAPDIHLGHTVVLQKLKQFQSLGHEVIIIIGDFTAQIGDPTGKKETRKQLSWEEVLENAKTYQEQIFKILDPAKTKMVFNSEWLAKLTFADVIKLASKYTVARMLEREDFAKRFKEGQPISIHEFFYPLMQGYDSVALKADIELGGTDQKFNLLMGRTLQKEYGQEPQIAIMMPILEGTDGVQKMSKSLGNYIGINETPQEMFGKIMSIPDTLILRYLELLTSVPMETINEMKIQMETGVLNPRDAKVFLAKEIITQYHSREAADEAEREFI... | 0 |
13,902 | 78,415 | UN | 78,415 | P38332 | 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 | MDSIQESDVLNAVKTKLPPCCLRIFRNKIILVGTYDLDKSTGYRSGSLDVFTMDLKLLCSNNTYGAILDLKLSPFDDTLICTAHSTGNIMLWRIRCTDKDDFQSNELDIHAIANLQLFEKDVLIASCHFSPLDCKKLLVTNTAGEAATIDIRTLSVQFTASAIAQAYSKLDKIDYEVQGATEKVIHVESGQFLKPHELECWTAEFGSLQPFQDVVFTGGDDSRIMAHDLRSKEFIWSNNRIHDAGVVSIKCSQPNFRNNKPTSIITGSYDDNIRSLDLRMMGESIFPGANVPTVNKLACDLGGGVWRFVESPIDQEQSHH... | 0 |
13,904 | 65,768 | UN | 65,768 | P48629 | *C1=C(*)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*C1=C(*)C=C(NC(=O)NC)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.38 | *c1ccc(NC(=O)N(C)C)cc1*.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*c1ccc(NC(=O)NC)cc1*.C=O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MESAITISNHVNLAFSLSRNPSLSTKNSAGISCIKWQRPCLRNLGHVRLNQQRKGTRRKSTLVQAVAVPVAQPSAFPPTDNTEHLKQLAERYGFQQIGEPLPDDVTMRDIITSLPKQVFEINDTKAWGTVLISVTSYALGIFMIAKAPWYLLPLAWAWTGTAITGFFVIGHDCAHKSFSKNKLVEDIVGTLAFMPLIYPYEPWRFKHDQHHTKTNMLREDTAWLPIMKEDIESSPGLRKALIYAYGPLRTWMSIAHWLKVHFNLKDFRQSEVKRATISLAAVFAFMVIGWPLIIYKTGIVGWIKFWLMPWLGYHFWMSTF... | 0 |
13,905 | 75,255 | UN | 75,255 | P81893 | [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 | TSTSYPSIVGEMLASGFGVIGFSWICSPACTELEVVVMDWLAKFLKPPAHFQHASDGPGGGVIQGSASEAVLVAVLAAREQAVASYRESHPELSESEVRGRLVAYSSDQSNSCIEKAGVLAAMPIRLLPAGEDFVLRGDTLRGAIEEDVAAGRIPVICVATLGTTGTCAYDDIESLSAVCEEFKVWLHVDAAYAGGAFALEECSDLRKGLDRVDSLNFNLHKFMLVNFDCSAMWLRDANKVVDSFNVDRIYLKHKHEGQSQIPDFRHWQIPLGRRFRALKVWITFRTLGAEGLRNHVRKHIELAKQFEQLVLKDSRFELV... | 0 |
13,906 | 78,979 | UN | 78,979 | A0A385AJM5 | 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 | MEAIKQKRSLISLKESFIYPHEWNHEPCDNKFILECFKESVNLGIFQIDDKKSFSYINSCLSSCAYMWPLCNHSQSLMTGRFIQWSFLIDDYLDSLEIDDKKTDSTVLNVEKALINGTITNKNSKLEEYTVFFRNKLFEYCGRERLDAFNLLINELVICLWTLVPFSKIHSKEKDFYPSYQLYRCIRTINVGIIACCALNFILFKDLDVKLWLNPRFRKILNRASIQISIVNDAVSYAKEILNENAYCNTFYFLQKDSTKFSTFDQVCEYLFNEANTYIKDIITDEPLLLHEFEDVEDRKVVQSLLNHVHYLISGNFVWS... | 0 |
13,907 | 80,215 | UN | 80,215 | B6EXY6 | 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 | MWRLKIGEGNGDDPYLFTTNNFAGRQTWEFDPDGGSPEERHSVVEARRIFYDNRFHVKASSDLLWRMQFLREKKFEQRIAPVKVEDSEKVTFETATSALRRGIHFFSALQASDGHWPAENAGPLFFLPPLVFCLYITGHLDEVFTSEHRKEILRYIYCHQKEDGGWGLHIEGHSTMFCTTLNYICMRILGESPDGGHDNACGRAREWILSHGGVTYIPSWGKTWLSILGVFDWSGSNPMPPEFWILPSFFPVHPAKMWSYCRMVYLPMSYLYGKRFVGPITSLILQLRKELYLQPYEEINWMKVRHLCAKEDTYYPRPLV... | 0 |
13,908 | 82,567 | UN | 82,567 | Q6GLL2 | 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 | MDLDVLNMFLVAGGTLLVPILAFVTSFLLWPAALIKIYYWYWRRALGMQVKFSSYGNYKFCYTSRGKPGNKASVLMLHGFSAHKDMWLSVVKFLPKNLHLVCVDMPGHEGTTRSALDDYSICGQVKRIHQFVESIGLNKRTFHLVGTSMGGNVAGVYAAQHPTDISSLTLICPAGLMYPTESKFLKHLKGLEKSGDDQRILLIPSTAGEMEDMLRLCSFVRFKIPQQVLQGLVDVRIPHNEFYRQLFMALVNEKSRHSLQENMNKIVAPTQIIWGKQDQVLDVSGAEVLAGSIRGCQVEILENCGHSVVMERPRKSAKLM... | 0 |
13,910 | 65,820 | UN | 65,820 | Q9M880 | *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 | MALLLNSTMTVAMKQNPATAVSFMQTTCLGSSFSPPRHLQVSCVATNPSKTFRPIKEVSNQVTHTITQEKLEIFKSMENWAQENLLSYLKPVETSWQPQDFLPETKDEDRFYEQVKELRDRTKEIPDDYFVVLVGDMITEEALPTYQTVMNTLDGAKDETGVSLTPWAVWLRAWTAEENRHGDLLNKYLYLSGRVDTRHVEKTIQYLIGSGMDTKYENNPYNGYIYTSFQERATFISHANTAKLATTYGDTTLAKICGTIAADEKRHEMAYTRIVEKLFEIDPDGTVQALASMMRKRITMPAQLMHDGRDDNLFDHYAAV... | 0 |
13,911 | 78,823 | UN | 78,823 | P46643 | C[C@H](CCNC(N)=[NH2+])C(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]>>C[C@H](CCNC(N)=[NH2+])[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-] | 2.6.1.126 | C[C@H](CCNC(=N)N)C(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O>>C[C@H](CCNC(=N)N)[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O | MALAMMIRNAASKRGMTPISGHFGGLRSMSSWWKSVEPAPKDPILGVTEAFLADPSPEKVNVGVGAYRDDNGKPVVLECVREAEKRLAGSTFMEYLPMGGSAKMVDLTLKLAYGDNSEFIKDKRIAAVQTLSGTGACRLFADFQKRFSPGSQIYIPVPTWSNHHNIWKDAQVPQKTYHYYHPETKGLDFSALMDDVKNAPEGSFFLLHACAHNPTGVDPTEEQWREISQLFKAKKHFAFFDMAYQGFASGDPARDAKSIRIFLEDGHHIGISQSYAKNMGLYGQRVGCLSVLCEDPKQAVAVKSQLQQLARPMYSNPPLH... | 0 |
13,912 | 78,503 | UN | 78,503 | B0KUT6 | CC(=O)N(O)CCCP(=O)([O-])O.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)([O-])O.O=C([O-])CCC(=O)[O-].O=C=O | null | CC(=O)N(O)CCCP(=O)(O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CC(=O)N(O)C[C@@H](O)CP(=O)(O)O.O=C(O)CCC(=O)O.O=C=O | MNAFTQIDELVMPLPLEPQGYTIAPSKQSPRLLELTFARETVEAFVQAVAQWPVQALEYKSFLRFRVGEILDELCQGTLRPVLLNTILDRASGGMLITPVGLDDVSQAEDMVKFTTACAHLIGRSNYDAMSGQFYARFVVVNSDNSDSYLRQPHRVMELHNDGTFVNQITDYVLMLKIDEKNMEGGNSLLLHLDDWEQCDEFFRHPMARREMRWTAPPSKKVAEDVFHSVFDTDAEGRPTMRYIDQFVQPENYEEGIWLNALSDSLEGSEKKVSVPVGVGSFLLINNLFWLHGRDRFTPHEGLRRELMRQRGYVAFPKPL... | 0 |
13,913 | 66,716 | UN | 66,716 | C4K4G2 | 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 | MMNKLQALRQFSTIVADTGDISAIQSYQPEDTTTNPSLILNATKIPAYRHLIDRSVAWAKRQSSDPKQHQIDATDKLAVDIGVEILKLIPGRISTEVDACLSYDIHASIEKAQKLISLYHEADIHKDRILIKLAATWQGIRAAEALEKLGIRCNLTLLFSFAQARACAEAGVFLISPFVGRILDWYKKNSDTKEFLPTQDPRVLSVQKIYHYYKKHGYETVVMGASFRNTAEILELAGCDRLTISPALLQELSEQQGTVEQKLVFRGALKEKPTPLTESEFYWQHNQDPMAVEKLSEGIRKFAEDQEKLKNVISNLLA | 0 |
13,914 | 80,867 | UN | 80,867 | Q9Y2Z9 | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(O)C=C(C)OC1=O.[H]*[H].O=O>>CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1.*.[H]O[H] | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O.O=O>>C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C.O | MAARLVSRCGAVRAAPHSGPLVSWRRWSGASTDTVYDVVVSGGGLVGAAMACALGYDIHFHDKKILLLEAGPKKVLEKLSETYSNRVSSISPGSATLLSSFGAWDHICNMRYRAFRRMQVWDACSEALIMFDKDNLDDMGYIVENDVIMHALTKQLEAVSDRVTVLYRSKAIRYTWPCPFPMADSSPWVHITLGDGSTFQTKLLIGADGHNSGVRQAVGIQNVSWNYDQSAVVATLHLSEATENNVAWQRFLPSGPIALLPLSDTLSSLVWSTSHEHAAELVSMDEEKFVDAVNSAFWSDADHTDFIDTAGAMLQYAVSL... | 0 |
13,915 | 46,772 | UN | 46,772 | Q9M880 | *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 | MALLLNSTMTVAMKQNPATAVSFMQTTCLGSSFSPPRHLQVSCVATNPSKTFRPIKEVSNQVTHTITQEKLEIFKSMENWAQENLLSYLKPVETSWQPQDFLPETKDEDRFYEQVKELRDRTKEIPDDYFVVLVGDMITEEALPTYQTVMNTLDGAKDETGVSLTPWAVWLRAWTAEENRHGDLLNKYLYLSGRVDTRHVEKTIQYLIGSGMDTKYENNPYNGYIYTSFQERATFISHANTAKLATTYGDTTLAKICGTIAADEKRHEMAYTRIVEKLFEIDPDGTVQALASMMRKRITMPAQLMHDGRDDNLFDHYAAV... | 0 |
13,916 | 79,227 | UN | 79,227 | A0A1B2CTB2 | [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 | MTQDVVTVSSQTAGTIKESGTHSNPDNKTTSPSTWKSLSKYACFDSEAERQWWNDSGALIARFLDIAKGDIHEQYQYLLFVREVVIPALGPYPPIRRCCINITEIGIELSLNYQGPGKPVFRVSLDPISEMSGTPMDPLNIDTVNDTVARLASIGLKDFDRTLHYHFMSEFCMPEEKAKTYQQDSREPMAWSQMILGFDFKDGNVVTKEYIWTRHAAHASGLHPHAIIRRAISRVDDQMRCSAAVNLVLEYMETFNADIPVPFFSWDLIDPSESRLKLYGIAWQWSWAKVEEVCTLGGKLQGPATDRSIGLLRKLWGILK... | 0 |
13,917 | 13,961 | UN | 13,961 | Q7VD38 | 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)... | MELTLWTYEGPPHIGAMRIATSMKGLHYVLHAPQGDTYADLLFTMIERRGSRPPVTYTTFQARDLGGDTAELVKGHIFEAVERFKPEALLVGESCTAELIQDQPGSLAKGMGLNIPIVSLELPAYSKKENWGASETFYQLIRGLLKEISEDSSNNAKQSWQEEGRRPRVNLLGPSLLGFRCRDDVLEIQKILGENGIDINVIAPLGASPSDLMRLPKADANVCLYPEIAESTCLWLERNFKTPFTKVVPIGVKATQDFLEELYELLGMEVSNSISNSDQSKLPWYSKSVDSNYLTGKRVFIFGDGTHVLAAARIANEELG... | 0 |
13,918 | 55,904 | UN | 55,904 | P17549 | [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... | MLALLLSPYGAYLGLALLVLYYLLPYLKRAHLRDIPAPGLAAFTNFWLLLQTRRGHRFVVVDNAHKKYGKLVRIAPRHTSIADDGAIQAVYGHGNGFLKSDFYDAFVSIHRGLFNTRDRAEHTRKRKTVSHTFSMKSIGQFEQYIHGNIELFVKQWNRMADTQRNPKTGFASLDALNWFNYLAFDIIGDLAFGAPFGMLDKGKDFAEMRKTPDSPPSYVQAVEVLNRRGEVSATLGCYPALKPFAKYLPDSFFRDGIQAVEDLAGIAVARVNERLRPEVMANNTRVDLLARLMEGKDSNGEKLGRAELTAEALTQLIAGS... | 0 |
13,919 | 76,243 | UN | 76,243 | O22827 | *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 | MSAEEKNLIEILEEGHKVDVVKYIDYVSAPQAGAIATFSGTTRDMFEGKTVLELRYEAYVPMATRCLSSICTTARSTWDIHKIAVAHRLGPVPVGETSVLIAVSSVHRADGLDACKFLIDELKASVPIWKKEVYTNGEIWKENSEFMEKRLELAEKRDSIVKKTVVEEHRRRGCCGSKVRVEEDEEHKDITGDNKSSS | 0 |
13,920 | 74,155 | UN | 74,155 | Q9D826 | [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]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.[H]C([H])=O.[NH3+]CC(=O)[O-].[H+].[H+] | 1.5.7.3 | CNCC(=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.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 | MAAQTDFWDAIVIGAGIQGCFTAYHLAKHSKSVLLLEQFFLPHSRGSSHGQSRIIRKAYPEDFYTMMMKECYQTWAQLEREAGTQLHRQTELLLLGTKENPGLKTIQATLSRQGIDHEYLSSVDLKQRFPNIRFTRGEVGLLDKTGGVLYADKALRALQHIICQLGGTVCDGEKVVEIRPGLPVTVKTTLKSYQANSLVITAGPWTNRLLHPLGIELPLQTLRINVCYWREKVPGSYGVSQAFPCILGLDLAPHHIYGLPASEYPGLMKICYHHGDNVDPEERDCPKTFSDIQDVQILCHFVRDHLPGLRAEPDIMERCM... | 0 |
13,921 | 82,567 | UN | 82,567 | Q03649 | 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 | MRLKELLPNFLIVHQEVPEDPIAFKSTDKRENENKEITIPELIDTKVPELADGATDTLYGLLVNGHLQTAYGSFRHFDNIYKVQYKRMIIKYPHGGEGTVDFAVNGRSTKRRKVEKEYVPTSQPVFNGNLKRRYSYYSPDDPKLNSDDAKPMLIILHGLTGGSRESYVRAIVHEITTKYDFEACVFNARGCCYSAITTPLLYNGGWTNDIRYCVNDLRKRFPNRKFYMMGFSLGASIMTNYLGEESDRTKIECAISVSNPFDLYNSAYFINSTPMGSRFYSPALGHNLLRMVRNHLSTLEENPDFKDVIEKHLKKIRTVR... | 0 |
13,922 | 78,979 | UN | 78,979 | O93830 | 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 | MSNLPPDEKVILFDKSKHVQYIVEQESHRSFEYWLSEHLRMNGLYWGVTALITMNELSALAQQDVIDYIMLCWDDKTGAFGSFPKHDGHILSTLSALQVLKIYDQELTVLNDNNESSNGNKRERLIKFITGLQLPDGSFQGDKYGEVDTRFVYTAVSSLSLLNALTDSIADTASAFIMQCFNFDGGFGLIPGSESHAAQVFTCVGALAIMNKLDLLDVENKKVKLIDWLTERQVLPSGGFNGRPEKLPDVCYSWWVLSSLSILKRKNWVDLKILENFILTCQDLENGGFSDRPGNQTDVYHTCFAIAGLSLIDYKKYGFK... | 0 |
13,923 | 56,356 | UN | 56,356 | Q9FVQ0 | 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 | METVVVIVGAGPAGLATSVCLNQHSIPNVILEKEDIYASLWKKRAYDRLKLHLAKEFCQLPFMPHGREVPTFMSKELFVNYLDAYVARFDINPRYNRTVKSSTFDESNNKWRVVAENTVTGETEVYWSEFLVVATGENGDGNIPMVEGIDTFGGEIMHSSEYKSGRDFKDKNVLVVGGGNSGMEISFDLCNFGANTTILIRTPRHVVTKEVIHLGMTLLKYAPVAMVDTLVTTMAKILYGDLSKYGLFRPKQGPFATKLFTGKAPVIDVGTVEKIRDGEIQVINGGIGSINGKTLTFENGHKQDFDAIVFATGYKSSVCN... | 0 |
13,924 | 80,847 | UN | 80,847 | Q5G5T6 | C[NH2+][C@@H](CC1=CNC2=C1C=CC=C2)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[NH+](C)[C@@H](CC1=CNC2=C1C=CC=C2)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.[H+] | null | CN[C@@H](Cc1c[nH]c2ccccc12)C(=O)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>>CN(C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O | MPALPVIDIRSNHVEDSLPEQIIKGLTSQPKTLPPLLFYSNEGLEHWNHHSRQPDFYPRRQEIEILKQGGNDIARSIAPSSVILDLGSANLEKVGYLLEALEAQEKDVLYFALDISAPQLATTLKEIPSSNFRHVRFAGLHGTFEDGLRWINETPEIRDLPHCVLLLGLTIGNFSRQNAAAFLQNIANHALTGASKNKSSILLSLDSCKVPTKVTRAYTSDGVVPFALQALTYAKALLCDRIDNGIDEKVLSCNLRPEHWHYLSEWNFALGRHEASLIPRFGDVCLGSMLQDIVVKKDEKVRFACSYKYDAKERQKLFLD... | 0 |
13,925 | 59,233 | LR | 59,232 | D5SK09 | 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 | MTISVPQLDCPLSRPVHPEGERADAYAVEWLRGVGLMADEADAAPVLAVGLGRLAACYVDENASWDTLAFMTILMAWYAEYDDRAIDSTGAIDGLTDAEVAELHRALGEILRDRPAPDPSDPVQRGLADVWRTLNGLASDWDRAAFVDTTLRYFEANRYERVNIRRGIPPTPSAHIGMRRHGGHVYGMYILGAAVNGYRPERRVLDHAAVRELETLAANYTSWANDLHSFAREHRMGQVNNLVWSVHHHEGLTFQQAADRVADLCDKELAAYLELRQTLPELGIPLTGATGRHVRFLEDMMWSMVDWSARSARYDVVPEA... | 1 |
13,926 | 69,536 | UN | 69,536 | B7NFL3 | O=P([O-])([O-])OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=P([O-])([O-])OC[C@H]1OC(O)(COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+] | 2.7.1.234 | Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@]1(O)OC[C@@H](O)[C@H](O)[C@@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)OC[C@H]1OC(O)(COP(=O)(O)O)[C@@H](O)[C@H]1O | MIKKIGVLTSGGDAPGMNAAIRGVVRSALTEGLEVMGIYDGYLGLYEDRMVQLDRYSVSDMINRGGTFLGSARFPEFRDENIRAVAIENLKKRGIDALVVIGGDGSYMGAMRLTEMGFPCIGLPGTIDNDIKGTDYTIGFFTALSTVVEAIDRLRDTSSSHQRISVVEVMGRYCGDLTLAAAIAGGCEFVVVPEVEFSREDLVNEIKAGIAKGKKHAIVAITEHMCDVDELAHFIEKETGRETRATVLGHIQRGGSPVPYDRILASRMGAYAIDLLLAGYGGRCVGIQNEQLVHHDIIDAIENMKRPFKGDWLDCAKKLY | 0 |
13,927 | 78,231 | UN | 78,231 | O60909 | *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... | MSRLLGGTLERVCKAVLLLCLLHFLVAVILYFDVYAQHLAFFSRFSARGPAHALHPAASSSSSSSNCSRPNATASSSGLPEVPSALPGPTAPTLPPCPDSPPGLVGRLLIEFTSPMPLERVQRENPGVLMGGRYTPPDCTPAQTVAVIIPFRHREHHLRYWLHYLHPILRRQRLRYGVYVINQHGEDTFNRAKLLNVGFLEALKEDAAYDCFIFSDVDLVPMDDRNLYRCGDQPRHFAIAMDKFGFRLPYAGYFGGVSGLSKAQFLRINGFPNEYWGWGGEDDDIFNRISLTGMKISRPDIRIGRYRMIKHDRDKHNEPN... | 0 |
13,928 | 78,663 | UN | 78,663 | F7J186 | [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... | MISRIPRLLFENILVPVADVLTKSVSNFAGHKSDQSYNSNATRVSTISDEEIEFYLNLKSAVLLLCLALCIAGFSVLMYFLYVLVFVPYNRVKRLGSIGYQNHEEGHLSKKDIANLVRRRRKVGDDLPPVFPNGWFRLVDSQQLEPGQVKQVTALGEHFAVFRSKSGKASILDAYCPHMGGNLAVGGIVKNDCLECPFHGWRFDGDGKCVAIPYSEKIPTFAKTKSWPCREVNKAIFVWFHCDGKEPEWEIPDISEISTGKFTYKGRVEHHANTHIQDVPENGSDLAHLSHLHVPHAMSGANLSTQYSSWWNFAEHIFKA... | 0 |
13,929 | 23,044 | UN | 23,044 | Q5W9R9 | 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 | MGVTVIPRLLGLKDEKKIATTVGEARLSGINYRHPDSALVSYPVAAAAPLGRLPAGNYRIAIVGGGAGGIAALYELGRLAATLPAGSGIDVQIYEADPDSFLHDRPGIKAIKVRGLKAGRVSAALVHNGDPASGDTIYEVGAMRFPEIAGLTWHYASAAFGDAAPIKVFPNPGKVPTEFVFGNRVDRYVGSDPKDWEDPDSPTLKVLGVVAGGLVGNPQGENVAMYPIANVDPAKIAAILNAATPPADALERIQTKYWPEFIAQYDGLTLGAAVREIVTVAFEKGTLPPVDGVLDVDESISYYVELFGRFGFGTGGFKPL... | 0 |
13,930 | 79,847 | UN | 79,847 | Q1CIM5 | *P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CC1=CC=C(O)C=C1.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OC(=O)[C@@H]([NH3+])CCCNC(N)=[NH2+]>>NC(=[NH2+])NCCC[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC1=O.*P(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C(N)N=CN=C32)[C@H](O)[C@@H]1O.*P(=O)... | null | *P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)CCCNC(=N)N.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OC(=O)[C@@H](N)Cc1ccc(O)cc1>>*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.*P(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N=C(N)NCCC[C@@H]1NC(=O)[C@H](Cc2c... | MTSSNLIKQLQERGLVAQVTDEDALAERLAQGPISLYCGFDPTADSLHLGHLVPLLCLKRFQLAGHRPVALVGGATGMIGDPSFKASERKLNTEDTVNEWVEKIRHQVSPFLDFDCGENSAIAANNYDWFGGMNVLTFLRDIGKHFSVNQMINKEAVKQRLNRDDSGISFTEFSYNLLQAYDFACLNKNHGVALQIGGSDQWGNITSGIDLTRRLHQQQVYGLTVPLITKADGTKFGKTEGGAVWLDPKKTSPYKFYQFWINTADADVYRFLKFFTFMSLEEINALEEEDKNSGKAPRAQYVLAENVTGMVHGPEGLAAA... | 0 |
13,931 | 68,808 | UN | 68,808 | P13482 | OC[C@H]1O[C@H](OC[C@H]2OC(O)(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)(CO)[C@@H](O)[C@@H]1O | 3.2.1.219 | O.OC[C@H]1O[C@H](OC[C@H]2OC(O)(CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O>>OC[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O | MKSPAPSRPQKMALIPACIFLCFAALSVQAEETPVTPQPPDILLGPLFNDVQNAKLFPDQKTFADAVPNSDPLMILADYRMQQNQSGFDLRHFVNVNFTLPKEGEKYVPPEGQSLREHIDGLWPVLTRSTENTEKWDSLLPLPEPYVVPGGRFREVYYWDSYFTMLGLAESGHWDKVADMVANFAHEIDTYGHIPNGNRSYYLSRSQPPFFALMVELLAQHEGDAALKQYLPQMQKEYAYWMDGVENLQAGQQEKRVVKLQDGTLLNRYWDDRDTPRPESWVEDIATAKSNPNRPATEIYRDLRSAAASGWDFSSRWMDN... | 0 |
13,932 | 80,883 | UN | 80,883 | Q6P632 | [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... | MTSLRPFTCDDLFRFNNINLDPLTETYGIPFYLQYLAHWPEYFIVAEAPGGELMGYIMGKAEGSVAREEWHGHVTALSVAPEFRRLGLAAKLMELLEEISERKGGFFVDLFVRVSNQVAVNMYKQLGYSVYRTVIEYYSASNGEPDEDAYDMRKALSRDTEKKSIVPLPHPVRPEDIE | 0 |
13,933 | 22,984 | UN | 22,984 | Q47208 | 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 | MIHAFIKKGCFQDSVSLMIISRKLSESENVDDVSVMMGTPANKALLDTTGFWHDDFNNATPNDICVAIRSEAADAGIAQAIMQQLEEALKQLAQGSGSSQALTQVRRWDSACQKLPDANLALISVAGEYAAELANQALDRNLNVMMFSDNVTLEDEIQLKTRAREKGLLVMGPDCGTSMIAGTPLAFANVMPEGNIGVIGASGTGIQELCSQIALAGEGITHAIGLGGRDLSREVGGISALTALEMLSADEKSEVLAFVSKPPAEAVRLKIVNAMKATGKPTVALFLGYTPAVARDENVWFASSLDEAARLACLLSRVTA... | 1 |
13,934 | 75,759 | UN | 75,759 | O77810 | 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 | MALSQFVPFSATELLLTSTVFCLVFWVFKGLRPRVPKGLKSPPEPWRWPLLGHVLTLGKNPHLALTKMSQRYGDVLQIHIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDLYSFTLITDGQSMSFSPDSGPVWAARRRLAQNALNTFSIASDPASSSSCYLEEHVSKEAEALIGRLQELMAGPGRFDPYNQIVESVVKVIGAMCFGQHFPESSDEMLSLMKNSHVFVENATSGNPVDFFPILRYLPNPALQRFKAFNQRFLRFLRETVQEHYQDSDKNSVQDITGALFKHCEKRSGASGDLIPQEKIVNLVNDIFGAGFD... | 0 |
13,935 | 69,316 | UN | 69,316 | Q32KH0 | 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 | MLLLWLSVFAASALAAPDRGAGGRRRGAAGGWPGAPNVVLVVSDSFDGRLTFYPGSQAVKLPFINLMKAHGTSFLNAYTNSPICCPSRAAMWSGLFTHLTESWNNFKGLDPNYTTWMDIMEKHGYRTQKFGKLDYTSGHHSISNRVEAWTRDVAFLLRQEGRPMINLIPKKTKVRVMEGDWKNTDRAVNWLRKEASNSTQPFVLYLGLNLPHPYPSPSSGENFGSSTFHTSLYWLKKVSYDAIKIPKWSPLSEMHPVDYYSSYTKNCTGKFTKKEIKNIRAFYYAMCAETDAMLGEIILALRQLDLLQNTIVIYTSDHGE... | 0 |
13,936 | 29,775 | UN | 29,775 | Q0K3R9 | 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 | MKATGTFFFVVGPSGAGKDSLIDGARAALDGDYVFARRVITRPDGSAGEEHEGVTEAEFARRQRSGEFLVTWDAHDLRYGLPKSLMCELERGRNVVANGSRGVIAELAARLPRFVVVLVTAPHDVLARRIAARGRESGDQVASRVARAGAPVPPHVPCITVSNHSTLEAGTARFVEALRTGTRTSAAERPASRTNLMAKLRGEPLDEAAYVAVLQDAIAGRYTEAELTEFLVAATRTLTDEEVVALARARTAFTPRIDWDEPVVVDKHSMGGVPGSRITLIVVPIVAAYGLAMPKTSSRAITSAAGTADAMETIARVDLA... | 0 |
13,937 | 42,352 | UN | 42,352 | Q8G340 | [H][C@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H] | 1.5.99.4 | CN1CCC[C@@H]1c1cccnc1.O>>CN1CCC[C@@H]1c1ccc(O)nc1 | MAKTDLARRVYNHTWKLDPIIRSLLDTDFYKLLMLQMIWGLYPRVDATFSLINRTSSVRLADEIDEGELRAQLDHARTLRFSKKEMIWLAGNTFYGRKQIFQPEFLAWLHDFQLPEYELRRKDGQYELHFHGPWTHTTMWEIPALAIINELRSRAAMKNLGPFSLDVLYARAKAKMWSKVERLRQLPDLKISDFGTRRRHSFLWQRWCVEALKEGIGSAFTGTSNVLLAMDTDLEALGTNAHELPMVLAALAKTDDELRSAPYRVLQDWNRYYGGNLLIVLPDAFGTAAFLRNAPDWVADWTGFRPDSAPPIEGGERIIE... | 0 |
13,938 | 79,651 | UN | 79,651 | P9WPW3 | O=C([O-])CCC(=O)CC(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(=O)CC(=O)[O-].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-] | 2.3.1.318 | 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.O=C(O)CCC(=O)CC(=O)O>>CC(=O)CC(=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)CCC(=O)O | MSAPGWSRDEMAARVAAEFEDGQYVNLGIGMPTLIPNHIPDGVHVVLHSENGILGVGPYPRREDVDADLINAGKETVTTLPGAAFFSSSTSFGIIRGGHLDVAVLGAMQVSVTGDLANWMIPGKMVKGMGGAMDLVHGARKVIVMMEHTAKDGSPKILERCTLPLTGVGCVDRIVTELAVIDVCADGLHLVQTAPGVSVDEVVAKTQPPLVLRDLATQ | 0 |
13,939 | 13,961 | UN | 13,961 | P16127 | 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)... | MASLLGTSSSAIWASPSLSSPSSKPSSSPICFRPGKLFGSKLNAGIQIRPKKNRSRYHVSVMNVATEINSTEQVVGKFDSKKSARPVYPFAAIVGQDEMKLCLLLNVIDPKIGGVMIMGDRGTGKSTTVRSLVDLLPEINVVAGDPYNSDPIDPEFMGVEVRERVEKGEQVPVIATKINMVDLPLGATEDRVCGTIDIEKALTEGVKAFEPGLLAKANRGILYVDEVNLLDDHLVDVLLDSAASGWNTVEREGISISHPARFILIGSGNPEEGELRPQLLDRFGMHAQVGTVRDADLRVKIVEERARFDSNPKDFRDTYK... | 1 |
13,940 | 78,771 | UN | 78,771 | I5AX49 | 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>>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)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)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 | MEKQVIQSVGFRNIKNGNGEITGFQFKVKLPYYRGVFLSQIRPGTLFVDGQKIEKDQITWTINGEEYTNQEMRGDFKTHWATTKPAVLKVKMPGGLAQGYHDLKYGFCFTSSYMPPIIQDGLDPDKESMVYMPEFGHHVNERRLLIV | 1 |
13,941 | 78,815 | UN | 78,815 | P36365 | [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 | MVKRVAIVGAGVSGLASIKCCLEEGLEPTCFERSCDLGGLWRFTEHVEEGRASLYNSVVSNSSKEMSCYSDFPFPEDYPNFVPNSLFLEYLQLYATQFNLLRCIYFNTKVCSITKRPDFAVSGQWEVVTVCQGKQSSDTFDAVMVCTGFLTNPHLPLDSFPGIQTFKGQYFHSRQYKHPDVFKDKRVLVVGMGNSGTDIAVEASHLAKKVFLSTTGGAWVISRVFDSGYPWDMIFMTRFQNMLRNLLPTPVVSWLISKKMNSWFNHVNYGVAPEDRTQLREPVLNDELPGRIITGKVLIKPSIKEVKENSVVFNNTPKEE... | 0 |
13,942 | 46,772 | UN | 46,772 | Q9SZ42 | *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 | MAVSLPTKYPLRPITNIPKSHRPSLLRVRVTCSVTTTKPQPNREKLLVEQRTVNLPLSNDQSLQSTKPRPNREKLVVEQRLASPPLSNDPTLKSTWTHRLWVAAGCTTLFVSLAKSVIGGFDSHLCLEPALAGYAGYILADLGSGVYHWAIDNYGDESTPVVGTQIEAFQGHHKWPWTITRRQFANNLHALAQVITFTVLPLDLAFNDPVFHGFVCTFAFCILFSQQFHAWAHGTKSKLPPLVVALQDMGLLVSRRQHAEHHRAPYNNNYCIVSGAWNNVLDESKVFEALEMVFYFQLGVRPRSWSEPNSDWIEETEISN... | 0 |
13,943 | 70,807 | UN | 70,807 | A7FPH4 | O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-] | 5.3.1.37 | O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O | MNIDIVISADHIDEKGLINKTVIIIDILRATSVITTAINNGCKKVIPVLTVEEAKDIAKNSEEDIILGGERNALKIDGFNFSNSPLEYTKKYVEGKTVVLSTTNGTRAINNSFNAKTILISALINSKATAKAIDKLHEDLIIINSGTNGQFSIDDFICSGYLIDCLYNIRKDLELSDIAKTAHYIYTNNKDIESFVKKATHYSRLKSLNLEKDLEYCFQKDIIDVVPQYKDGYIIKSNI | 0 |
13,944 | 59,236 | UN | 59,236 | Q9FT37 | 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 | MAQLSFNAALKMNALGNKAIHDPTNCRAKSEGQMMWVCSKSGRTRVKMSRGSGGPGPVVMMSSSTGTSKVVSETSSTIVDDIPRLSANYHGDLWHHNVIQTLETPFRESSTYQERADELVVKIKDMFNALGDGDISPSAYDTAWVARVATISSDGSEKPRFPQALNWVFNNQLQDGSWGIESHFSLCDRLLNTTNSVIALSVWKTGHSQVEQGTEFIAENLRLLNEEDELSPDFEIIFPALLQKAKALGINLPYDLPFIKYLSTTREARLTDVSAAADNIPANMLNALEGLEEVMDWKKIMRFQSKDGSFLSSPASTACV... | 0 |
13,945 | 80,203 | UN | 80,203 | J7H670 | 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 | MNVFFMFSLLFLAALGSCADDRNPLGECFRETDYEEFLEIAKNGLRATSNPKHVVIVGAGMSGLSAAYVLAEAGHQVTVLEASERAGGRVRTYRNDKEGWYANLGPMRLPEKHRIVREYIRKFGLQLNEFHQENDNAWHFIKNIRKRVGEVKEDPGLLQYPVKPSEEGKSAGQLYEESLGKVAEELKRTNCSYILNKYDTYSTKEYLLKEGNLSPGAVDMIGDLLNEDSGYYVSFIESLKHDDIFGYEKRFDEIVDGMDKLPTSMYQAIKEKVRFNARVIKIQQNDREVTVTYQTSANEMSPVTADYVIVCTTSRATRRI... | 0 |
13,946 | 69,412 | UN | 69,412 | P36014 | CC(C)(C)OO.[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)(C)O.[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)(C)OO.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)(C)O.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 | MQEFYSFSPIDENGNPFPFNSLRNKVVLIVNVASHCAFTPQYKELEYLYEKYKSHGLVIVAFPCGQFGNQEFEKDKEINKFCQDKYGVTFPILHKIRCNGQKQDPVYKFLKNSVSGKSGIKMIKWNFEKFVVDRNGKVVKRFSCMTRPLELCPIIEELLNQPPEEQI | 0 |
13,947 | 69,272 | UN | 69,272 | Q9WWU5 | 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 | MSNAALATAPHALELDVHPVAGRIGAEIRGVKLSPDLDAATVEAIQAALVRHKVIFFRGQTHLDDQSQEGFAKLLGEPVAHPTVPVVDGTRYLLQLDGAQGQRANSWHTDVTFVEAYPKASILRSVVAPASGGDTVWANTAAAYQELPEPLRELADKLWAVHSNEYDYASLKPDIDPAKLERHRKVFTSTVYETEHPVVRVHPISGERALQLGHFVKRIKGYSLADSQHLFAVLQGHVTRLENTVRWRWEAGDVAIWDNRATQHYAVDDYGTQPRIVRRVTLAGEVPVGVDGQLSRTTRKG | 0 |
13,949 | 70,807 | UN | 70,807 | Q0SPZ8 | O=C[C@H](O)[C@H](O)CS(=O)(=O)[O-]>>O=C(CO)[C@H](O)CS(=O)(=O)[O-] | 5.3.1.37 | O=C[C@H](O)[C@H](O)CS(=O)(=O)O>>O=C(CO)[C@H](O)CS(=O)(=O)O | MKIDVIISADYIDSEALKGKIAVVIDMLRATSVITTALYNGAKKVIPVVSVEEAFEKAKELKSLGEEVLLGGERKALKIDGFDFSNSPLEYKREIVEGKNVIMSTTNGTRALNLCSKADKVIVASVLNGQAVAKYLENEEKEIVFVNSGTNGEFSSDDFMCAGYIISELCKNKEVELTDIAKTAKYVYESSEGIEEFIKDAKHYNILKNLGLEEDLKYCSTKNLIDLVFEFKNGEIKTVESGIKVKI | 0 |
13,950 | 80,267 | UN | 80,267 | A4FDS0 | 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... | MSKVLTSLPVGQRVGIAFSGGLDTSVAVAWMRENGAVPCTYTADIGQYDESDIASIPGRAEAYGAEISRLVDCREALVEEGLAALSCGAFHIRSGGRTYFNTTPLGRAVTATLLVRAMLADDVLIWGDGSTFKGNDIERFYRYGLLANPRLRIYKPWLDTAFVGELGGRKEMSEWLQERDLPYRDSAEKAYSTDANIWGATHEAKKLEHLDTGIEIVDPIMGVPFWDDSVEIATEDVTLSFVQGRPVAINGKEFDSPVDLVHEANAVGGRHGLGMSDQIENRIIEAKSRGIYEAPGMALLFIAYERLVNAIHNEDTIASY... | 0 |
13,951 | 14,769 | UN | 14,769 | H8ZPX1 | [H][C@@]1(C2=CC=CN=C2)CCC[NH+]1C.*.[H]O[H]>>[H][C@@]1(C2=CN=C(O)C=C2)CCC[NH+]1C.[H]*[H] | 1.5.99.4 | CN1CCC[C@H]1c1cccnc1.O>>CN1CCC[C@H]1c1ccc(O)nc1 | MANDKGDISKDGVSRRKFLGGAVIGAAAAAGVGSQILSLSATAQGADKERVGPLQSNVDYDAVVIGGGFAGVTAARELSRSGLKTLVLEGRSRLGGRTFTSKLDGEKVELGGTWVHWTQPNVWTEVMHYGLEIEETVGLASPETVIWVTDNQVKRAPAAEAFEIFGAACTEYYKEAHNIYPRPFDPFFAKKALQEMDGLSASEYLNKLSLTREQKDMMDSWLSGNGHNYPETIAYSEIMRWFALSNFNMPTMFDSIARYKIKSGTVSLLEAMVAESDMEVQLSTPVLKVKQDSHRVLITTEEGTIAASAVVMAVPLNTMG... | 0 |
13,952 | 79,055 | UN | 79,055 | Q3AMI3 | CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*.*.*>>C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3)N2)NC1=O.[H]*[H].[H]*[H].[H]*[H].[H]*[H] | null | CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O | MFDPFLEELLSGIKARGAVPVEVPHGLEHNQSSKRSSTIKSWLWDVPGFRRWRVTRLDAGDSLQVLNSVAYPDYTYDHPLMGVDLLWFGAKQKLVAVLDFQPLVQDKDYLERYFDGLKSLNAQFPDLNGEETMRSFDPNQYFSSWLLFCRGGAEQATSSLPTAFSAFLKTYWDLHDKAVKIPSSINPIEVAQLQKNYDIYSAERDPAHGLFTSHFGSEWSDRFLHEFLFPASQPK | 0 |
13,953 | 78,823 | UN | 78,823 | Q4R5L1 | C[C@H](CCNC(N)=[NH2+])C(=O)C(=O)[O-].[NH3+][C@@H](CC(=O)[O-])C(=O)[O-]>>C[C@H](CCNC(N)=[NH2+])[C@H]([NH3+])C(=O)[O-].O=C([O-])CC(=O)C(=O)[O-] | 2.6.1.126 | C[C@H](CCNC(=N)N)C(=O)C(=O)O.N[C@@H](CC(=O)O)C(=O)O>>C[C@H](CCNC(=N)N)[C@H](N)C(=O)O.O=C(O)CC(=O)C(=O)O | MAPPSVFSEVPQAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGTGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIIVLHACAHNPTGTDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILRVLSQMEKIVRITWSNPPAQGARIVADTLSNPELFEEW... | 0 |
13,954 | 49,412 | UN | 49,412 | Q866C9 | 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... | MWPLSHRHLCLAFLLVCVLSAISFFLHIHQDSFPHGLGLSVLCPDRRLVTHPVAIFCLPGTPMSPNTSSPCPQHAASLSGTWTIYPDGRFGNQMGQYATLLALAQLNGRQAFILPAMHAALAPVFRITLPVLAPEVDSRTPWRELRLHDWMSEEYADLGDPFLKLSGFPCSWTFFHHLREQIRSEFTLHDHLREEAQSVLRRLHLGRSGDRPRTFVGVHVRRGDYLQVMPQRWRGVVGNSAYLREAMDWFRARHEAPVFVVTSNGMEWCRENIDASKGDVVFAGDGQEASPWKDFALLTQCNHTIMTIGTFGFWAAYLAG... | 0 |
13,955 | 79,299 | UN | 79,299 | Q8LPS1 | [NH3+]CCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])OP(=O)([O-])O.[H+] | null | NCCCCCN(O)C(=O)CCC(=O)NCCCCCN(O)C(=O)CCC(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O>>Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.O=C1CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN1.O=P(O)(O)OP(=O)(O)O | MDSSSSSSSAAARRRINAIHSHLVTSSRSSPLLRSNPTAGEFCLDNGYSVVLPEKLNTGSWNVYRSAKSPFKLVSRFPDHPDIATLHDNFEHAVHDFRDYKYLGTRVRVDGTVGDYKWMTYGEAGTARTALGSGLVHHGIPMGSSVGIYFINRPEWLIVDHACSSYSYVSVPLYDTLGPDAVKFIVNHATVQAIFCVAETLNSLLSCLSEMPSVRLVVVVGGLIESLPSLPSSSGVKVVSYSVLLNQGRSNPQRFFPPKPDDVATICYTSGTTGTPKGVVLTHANLIANVAGSSFSVKFFSSDVYISYLPLAHIYERANQ... | 0 |
13,956 | 80,235 | UN | 80,235 | Q64410 | [H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@]4([H])[C@](C(=O)[O-])([C@H](O)C[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(=O)[O-])([C@H](O)[C@@H](O)[C@H](O... | null | CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4[C@](C)(C(=O)O)[C@@H](O)C[C@@H](O)[C@]4(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(=O)O)[C@@H](O)[C@H](O)[C@@H](O)[C@]4(C(=O)O)[C@H]3CC[C@@]21C.Cc1cc... | MWELVTLLGLILAYLFWPRQGSSGTKYPKSLPSLPVVGSLPFLPKSGHMHVNFFKLQKKYGPIYSFRLGSTTTVVIGHHQLARELLIKKGKEFSGRPLTTTVALLSDNGKGIAFADSSATWQLHRRLVLSSFSLFRDGEQKLENIICQELSALCDFLATCDGQVKDLSSSIFMTVVNIICMICFSVSYKEGDMELVTIRRFTTGFVNSLSDDNLVDIFPWLKIFPNKTLEMIRKYTEIRGAMLSKILKECKEKFRSDSVSNLIDLLIQAKVNENNNNSSLDQDSNLFSDKHILTTLGDIFGAGVETSSSVVLWVIAFLLH... | 0 |
13,957 | 76,579 | UN | 76,579 | Q9V0N0 | 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 | MKIYILGAGAIGSLFGGLLANAGEDVLLIGRDPHVSAINEKGLKIVGIKDLNVKVEATTRVPEEKPDLIVLATKSYSTIEALKSARHIVKGSWVLSIQNGIGNEDKIIEFGGKAIGGITTNGAMVEAPGVIKWTGKGVTIIGLYPQGKEKFIEKVADVFNSADIETHVSENIISWIWAKAIVNSAINPIGTLLEVKNKVIRENDFLLSMAMEVVKEGCRVALQNGIEFDVPPMDLFFQTLEQTRENYNSMLQDIWRGKKTEVDYINGKIVEYAKAVNLEAPMNLLLWGLIKGKEALEGKK | 0 |
13,958 | 75,759 | UN | 75,759 | Q9BYJ1 | 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 | MAVYRLCVTTGPYLRAGTLDNISVTLVGTCGESPKQRLDRMGRDFAPGSVQKYKVRCTAELGELLLLRVHKERYAFFRKDSWYCSRICVTEPDGSVSHFPCYQWIEGYCTVELRPGTARTICQDSLPLLLDHRTRELRARQECYRWKIYAPGFPCMVDVNSFQEMESDKKFALTKTTTCVDQGDSSGNRYLPGFPMKIDIPSLMYMEPNVRYSATKTISLLFNAIPASLGMKLRGLLDRKGSWKKLDDMQNIFWCHKTFTTKYVTEHWCEDHFFGYQYLNGVNPVMLHCISSLPSKLPVTNDMVAPLLGQDTCLQTELER... | 0 |
13,959 | 56,304 | UN | 56,304 | Q81BR3 | CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/C=N/N4CC[NH+](C)CC4)=C(NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)/C(O)=C\2C(/[O-])=C\3C.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H]O[H]>>CO[C@H]1/C=C/O[C@@]2(C)OC3=C(C2=O)C2=C(O)\C(/... | 2.7.9.6 | CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O>>CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(/C=N/N5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C... | MSSFVLDFQEIEKTQLFLVGGKGLNLGELSNIQGIQVPEGFCVTTVGYEQAIGKNGAFQTLLNQLAMLKIEERDRIGEISKQIREVIMAVEIPVDVVESVAHYLSHFGDEHAYAVRSSATAEDLPYASFAGQQDTYLNVIGKENILQHIKKCWASLFTDRAVIYRMQNGFDHNQVSICVVIQKMVFPEASGILFTADPITSNRKVLSIDASFGLGEALVSGLVSADNYKVKEDEIVEKVIATKKLAIYGRKEGGTERKKIAPNQQKFQTLTEQQILQLARIGRQIEAYFGCPQDIEWCLVDDTIYIVQSRPITTLYPIPE... | 1 |
13,960 | 30,491 | UN | 30,491 | P27786 | 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 | MWELVGLLLLILAYFFWPKSKTPNAKFPRSLPFLPLVGSLPFLPRRGHMHANFFKLQEKYGPIYSLRLGTTTAVIVGHYQLAREVLVKKGKEFSGRPQMVTLGLLSDQGKGVAFADSSSSWQLHRKLVFSTFSLFRDDQKLEKMICQEANSLCDLILTYDGESRDLSTLIFKSVINIICTICFNISFENKDPILTTIQTFTEGIVDVLGHSDLVDIFPWLKIFPNKNLEMIKEHTKIREKTLVEMFEKCKEKFNSESLSSLTDILIQAKMNAENNNTGEGQDPSVFSDKHILVTVGDIFGAGIETTSSVLNWILAFLVHN... | 0 |
13,961 | 75,003 | UN | 75,003 | Q5REB8 | 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)... | MKPSWLQCHKVTSAGGLGGPLPGSSPARGASAALRALVVPGPRGGLGGRGCRALSSGSGSEYKTHFAASVTDPERFWGKAAEQISWYKPWTKTLENKHSPSTSWFVEGMLNVCYNAVDRHIENGKGDKIAIIYDSPVTNTKATFTYKEVLEQVSKLAGVLVKHGIKKGDTVVIYMPMIPQAMYTMLACARIGAIHSLIFGGFASKELSSRIDHVKPKVVVTASFGIEPGRRVEYVPLVEEALKIGQHKPDKILIYNRPNMEAVPLAPGRDLDWDEEMAKAQSHDCVPVLSEHPLYILYTSGTTGLPKGVIRPTGGYAVML... | 0 |
13,962 | 78,971 | UN | 78,971 | Q99JF5 | 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 | MASEKPQDLMVTCTAPVNIAVIKYWGKRDEALILPINSSLSVTLHQDQLKTTTTVAISKDFTEDRIWLNGREEDVGQPRLQACLREIRRLARKRRSTEDGDTLPLSLSYKVHVASVNNFPTAAGLASSAAGYACLAYTLAQVYGVEGDLSEVARRGSGSACRSLYGGFVEWQMGEQADGKDSIARQIAPEWHWPQLRILILVVSADKKQTGSTVGMQTSVETSTLLKFRAESVVPERMKEMTRCIQEQDFQGFAQLTMKDSNQFHATCLDTFPPISYLNDTSRRIIQLVHRFNTHQGQTKVAYTFDAGPNAVIFTLEDTV... | 0 |
13,963 | 56,356 | UN | 56,356 | F2K079 | 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 | MKKRIAIIGAGLSGIAAIKQLTDEGHHVVCYEKAESFGGVFAAKKIYEDLHLTISNYFMAYSDFLPTEQSLKFWSKQEYVQYLKRYLAHFDIEKHIVYNHKVVNAEQNGDKWTVKVQSGSGEETESEFDMVVVCSGHFQEPKTPDLEGLSDFMGDIIHSNDYRDKMAFKGKRVMCVGLGESSADITSEISEVAEKCILSLRRYPAVAPRYMAFQEDPYFTIDTSWLTSRIVNKLPFSYHRGITKNIFHKYVNSRNLHLRIRGEWLHKSGPSIHQAVTKNERLFKPIAEGKVLPNIGGIERFEGNTVIFKDGTHEEIDAIV... | 1 |
13,964 | 49,440 | UN | 49,440 | P76458 | CC(C)CCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)C[C@@H](O)C(=O)[O-]>>CC(C)C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].CC(C)CCC(=O)[O... | 2.8.3.24 | CC(C)CCC(=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(C)C[C@@H](O)C(=O)O>>CC(C)CCC(=O)O.CC(C)C[C@@H](O)C(=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 | MKTKLMTLQDATGFFRDGMTIMVGGFMGIGTPSRLVEALLESGVRDLTLIANDTAFVDTGIGPLIVNGRVRKVIASHIGTNPETGRRMISGEMDVVLVPQGTLIEQIRCGGAGLGGFLTPTGVGTVVEEGKQTLTLDGKTWLLERPLRADLALIRAHRCDTLGNLTYQLSARNFNPLIALAADITLVEPDELVETGELQPDHIVTPGAVIDHIIVSQESK | 0 |
13,965 | 78,411 | UN | 78,411 | Q48MQ5 | COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>NC1=NC2=CC=CC=C2N1.CO.O=C=O | 3.1.1.122 | COC(=O)Nc1nc2ccccc2[nH]1.O>>CO.Nc1nc2ccccc2[nH]1.O=C=O | MNASATVAGVDLPDGQPARVLHARPEPLRMKPGETALVVVDMQNAYASLGGYLDLAGFDVSSTGPVIVNINKACAAARAAGIPVIFFQNGWDPAYVEAGGPGSPNWHKSNALKTMRKRPELEGQLLAKGGWDYQLVDELKPQPGDIVVPKIRYSGFFNSSFDSVLRSRGIRNLVFTGIATNVCVESTLRDGFHLEYFGVVLADATHQAGPDFAQQAALFNIETFFGWISSVDDFCTTFSPVGQPS | 0 |
13,966 | 65,788 | UN | 65,788 | A8WGA0 | 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 | MALQSTILHMARKNLLQESCRQLLIQTHGLHKSVASGSLEIAAHSQADLKEESAVSPAEEVQKAARVKSLKEMPGPSTVANLLEFFYRDGFSRIHEIQMEHAKKYGKIFKSRFGPQFVVSIADRDMVAQVLRSESATPQRGNMESWKEYRDLRGRSTGLISAEGDEWLKMRSVLRQLIMRPRDVAVFSSDVNDVVADLVKRVKTLRSQQDDSQTVLNINDLFFKYAMEGVATILYETRLGCLENEIPKMSQEYITALHLMFSSFKTTMYAGAIPKWLRPIIPKPWEEFCSSWDGLFKFSQIHVDKRLSEIKKQMEKSEEI... | 0 |
13,967 | 80,956 | LR | 80,955 | Q8A247 | *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 | MEEIIKPVSKELLKAELTEDRRLRMTNKSNNQIYIITHQNAPNVMREIGRLREIAFRAAGGGTGLSMDIDEYDTMEHPYKQLIVWNPEAEEILGGYRYLLGTDVRFDEAGAPILATSHMFHFSDAFIKEYLPQTIELGRSFVTLEYQSTRAGSKGLFALDNLWDGLGALTVVMPNVKYFFGKVTMYPSYHRRGRDMILYFLKKHFNDREELVTPMEPLILETSDEELRTLFCKDTFKEDYKILNTEIRKLGYNIPPLVNAYMSLSPTMRMFGTAINYEFGDVEETGILIAVDEILEDKRIRHIQTFIESHPDALKMPCES... | 1 |
13,968 | 13,961 | UN | 13,961 | P37824 | 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)... | MKLAYWMYAGPAHIGTLRVASSFKNVHAIMHAPLGDDYFNVMRSMLERERDFTPVTTSIVDRHVLARGSQEKVVENITRKDNEEAPDLITLTPTCTSSILQEDLQIFVNRASISESNNGHSGIDKATSDVILADVNHYRVNELQAADRTLEQIVRFYLEKEKKLNTNTIPTKTKKPSANIIGIFTLGFHNQHDCRELKRLLNNLGIEVNEIIPEGGSVTNLKNLPHAWFNLVPYREIGLMRAVYLEKEFNMPYVAISPLGIIDTAVCIREIEKILNNLSLNGYQSSLPEGHKLTNEELNGLSQKNNEPSLPEEHRQLDGA... | 0 |
13,969 | 77,659 | UN | 77,659 | P9WPB7 | [H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O.CO.NC1=NC=NC2=... | null | C/C=C/CCCCC[C@H]1C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@H](O)C(=O)CC/C=C/C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C/CCCCC[C@H]1C=C2C34OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@@H](C(=O)CC/C=C/C)O4.CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O... | MPDELKPHFANVQAHYDLSDDFFRLFLDPTQTYSCAYFERDDMTLQEAQIAKIDLALGKLGLQPGMTLLDVGCGWGATMMRAVEKYDVNVVGLTLSKNQANHVQQLVANSENLRSKRVLLAGWEQFDEPVDRIVSIGAFEHFGHERYDAFFSLAHRLLPADGVMLLHTITGLHPKEIHERGLPMSFTFARFLKFIVTEIFPGGRLPSIPMVQECASANGFTVTRVQSLQPHYAKTLDLWSAALQANKGQAIALQSEEVYERYMKYLTGCAEMFRIGYIDVNQFTCQK | 0 |
13,970 | 13,961 | UN | 13,961 | Q8LU58 | 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)... | MKIAVYGKGGIGKSTTSCNISIALARRGKRVLQIGCDPKHDSTFTLTGFLIPTIIDTLQSKDYHYEDVWPEDVIYKGYGGVDCVEAGGPPAGAGCGGYVVGETVKLLKELNAFYEYDVILFDVLGDVVCGGFAAPLNYADYCIIITDNGFDALFAANRIAASVREKARTHPLRLAGLVGNRTSKRDLIDKYVEACPMPVLEVLPLIEDIRVSRVKGKTLFEMAESQESLNYVCDFYLNIADQILSCPEGVVPKEVPDRELFSLLSDFYLNPTLSEKENTLSPSSLDFMMV | 0 |
13,971 | 74,844 | LR | 74,843 | Q80XH4 | [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... | MAKPFFRLQKFLRRTQFLLLFLTAAYLMTGSLLLLQRARVALPQALRAPGSLQALPVATVALGVGLLDGRSLRDPHSSPDLLLDVDTLRSPLARLPPGIRWPRRNRSSLRRRWLHHLTSDPQGPPTLSPEASGPANHNRGNYLGCFSEEGQERTLKGAVFYDLRKMTVSHCQDACAERSYVYAGLEAGAECYCGNRLPATRVSLKECNQECKGEKGSMCGAVRRLSVYSVGLQQPGSKKRRTATYRGCFPLPENVTHTFSSSMTQANMTVETCSGFCSQKEFPLAILRGWDCYCAYPTPQFSLRDAVDGALCSQAPETQG... | 1 |
13,972 | 80,267 | UN | 80,267 | Q8XMJ7 | 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... | MYMKKFNKVILAYSGGLDTSIIIPWLKENYGCEVIAVVGNVGQSDELVGLKEKAIKTGASKIYIEDLTKEFVEDYIFPTIQAGAKYEGKYLLGTSFARPIIAKRLVEIAKLEGADAICHGCTGKGNDQVRFELAIKTFNPEMQIIAPWRTWEIKSREEEIQYAIDNEVPINITYETNYSKDKNLWHLSHEGLDLEFPENEPKYDKILELCNTLEKAPNEAEYITLGFEKGIATSLNGEKLDGVTLLQELNKIGGKHGIGVIDMVENRLVGMKSRGVYETPGGSILYKAHKDLEELCLDKETSHYKEIVSLKFADLVYNGQ... | 0 |
13,973 | 65,768 | UN | 65,768 | P30099 | *C1=C(*)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*C1=C(*)C=C(NC(=O)NC)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.38 | *c1ccc(NC(=O)N(C)C)cc1*.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*c1ccc(NC(=O)NC)cc1*.C=O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MGACDNDFIELHSRVTADVWLARPWQCLHRTRALGTTATLAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPRRMHLEPWVAHRELRGLRRGVFLLNGAEWRFNRLKLNPNVLSPKAVQNFVPMVDEVARDFLEALKKKVRQNARGSLTMDVQQSLFNYTIEASNFALFGERLGLLGHDLNPGSLKFIHALHSMFKSTTQLLFLPRSLTRWTSTQVWKEHFDAWDVISEYANRCIWKVHQELRLGSSQTYSGIVAALITQGALPLDAIKANSME... | 0 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.