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 |
|---|---|---|---|---|---|---|---|---|---|
14,893 | 80,211 | UN | 80,211 | A2QGH7 | 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 | MAPSQQEKYDIVIVGAGPVGIVLSLCMSRWGYKVKHIDNRPVPTATGRADGIQPRSTEILRNLGLKRQIMAFKPAKVYDVAFWDPLPGGQGIHRTGSWPSCPRFIDTRYPFTTLVHQGKIERVFLDEIQKAGTTVERPWTIVGFKNDGLDETYPVEVQLKSIDTNVIETVRTKYLFSGEGARSFIRQQLGIQIQYKDPISYVWGVMDGVVRTNFPDIETKCTIHSDAGSIMVIPREDNMVRLYVQIASSDDPDFDPRKTATAEDVQATARKILQPYWVEWDRVEWYSVYPIGQGISEKYTLDERVFMGGDACHTHSPKAG... | 0 |
14,894 | 78,811 | UN | 78,811 | Q1B6B3 | NC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>[H]C(=O)C[C@H]([NH3+])C(=O)[O-].NC(=[NH2+])NCCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@... | 1.5.1.55 | N=C(N)NCCCCNCC[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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>N=C(N)NCCCCN.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.N[C@@H](CC=O)C(=O)O | MTATLAVIGAGPKAVAVAAKAAELRNMGVDAPDVVVVERAGVGANWTAAGGWTDGQHRLGTSPEKDIGFPYRSSLVPRRNAELDDRMTRHSWQAYLVATSQFAEWIDRGRPAPNHHRWAAYLRWVADAIGMNVVHGEVERISIGGRGWELHTPESTVAADAVMITGPGQAERTLLPGHPRVMSIADFWRRTAGHELIVAERVAMIGGGETAASMLNELFRHRVSTITVISPQVTLFTRGEGFFENTLFSDPTGWTSLTLAERRDAMFRTDRGVFSARVQEALLADDRIRHLRGRVAHAVPRDGRIRLTLHTDRAGERVET... | 0 |
14,895 | 79,267 | UN | 79,267 | Q9Z8L0 | O=S(=O)([O-])OC1=CC=C2C=CC=CC2=C1.OC1=CC=CC=C1>>O=S(=O)([O-])OC1=CC=CC=C1.OC1=CC2=CC=CC=C2C=C1 | null | O=S(=O)(O)Oc1ccc2ccccc2c1.Oc1ccccc1>>O=S(=O)(O)Oc1ccccc1.Oc1ccc2ccccc2c1 | MSFLRRHISLFRSQKQLIDVFAPVSPNLELAEIHRRVIEDQGPALLFHNVIGSSFPVLTNLFGTKHRVDQLFSQAPDNLIARVAHLISSTPKLSSLWKSRDLLKRISSLGLKKARFRRFPFVSMSSVNLDHLPLLTSWPEDGGAFLTLPLVYTESPTLTTPNLGMYRVQRFNQNTMGLHFQIQKGGGMHLYEAEQKKQNLPVSVFLSGNPFLTLSAIAPLPENVSELLFATFLQGAKLLYKKTNDHPHPLLYDAEFILVGESPAGKRRPEGPFGDHFGYYSLQHDFPEFHCHKIYHRKDAIYPATVVGKPYQEDFYIGNK... | 0 |
14,896 | 80,883 | UN | 80,883 | Q9M6F0 | [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... | MEKTDLHVNLIEKVMVGPSPPLPKTTLQLSSIDNLPGVRGSIFNALLIYNASPSPTMISADPAKPIREALAKILVYYPPFAGRLRETENGDLEVECTGEGAMFLEAMADNELSVLGDFDDSNPSFQQLLFSLPLDTNFKDLSLLVVQVTRFTCGGFVVGVSFHHGVCDGRGAAQFLKGLAEMARGEVKLSLEPIWNRELVKLDDPKYLQFFHFEFLRAPSIVEKIVQTYFIIDFETINYIKQSVMEECKEFCSSFEVASAMTWIARTRAFQIPESEYVKILFGMDMRNSFNPPLPSGYYGNSIGTACAVDNVQDLLSGSL... | 0 |
14,897 | 50,340 | UN | 50,340 | P15393 | [H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>[H][C@@]12CCC3=CC(=O)C[C@H](O)[C@]3(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | 1.14.15.19 | C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C[C@H](O)[C@@]43C)[C@@H]1CC[C@@H]2O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALRVTADVWLARPWQCLHRTRALGTTAKVAPKTLKPFEAIPQYSRNKWLKMIQILREQGQENLHLEMHQAFQELGPIFRHSAGGAQIVSVMLPEDAEKLHQVESILPHRMPLEPWVAHRELRGLRRGVFLLNGADWRFNRLQLNPNMLSPKAIQSFVPFVDVVARDFVENLKKRMLENVHGSMSINIQSNMFNYTMEASHFVISGERLGLTGHDLKPESVTFTHALHSMFKSTTQLMFLPKSLTRWTSTRVWKEHFDSWDIISEYVTKCIKNVYRELAEGRQQSWSVISEMVAQSTLSMDAIHANSMELIAGSVDTTAI... | 0 |
14,898 | 58,824 | UN | 58,824 | Q6DF46 | COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>[H][C@]1(C2=C(C)C(=O)C(C)=C(OC)O2)C/C(=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)CO1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H].[H]O[H] | 1.14.15.37 | COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MRCLGGSSLSRLLRMLSQSQGRALSSTGPAVYDVVISGGGMVGTAMACALGSDPHLQHKKVLLLEAGNRKPFDHLPENFSNRVSSITPGSATLLASFGAWDHILAMRLKPYKRMQVWDACSDALITFDKDALEDMGYIVENDIIIEALTKQLELMSDHVEVMYRSRALSYSWPPPYNNGKATPWVEIELADGQRLHTKLLIGADGHNSMVRSAAGMQSVQWNYNHAAVVATLHLSEATDNNVAWQRFLPTGPIALLPLSDTCSSLVWSTSPEHASELVSMDEESFVDTVNSAFWSNENHSEFITSAGSLLHSALSFFMPT... | 0 |
14,899 | 82,567 | UN | 82,567 | A4IFJ5 | 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 | MSFIDPYQHIIVEHHYSHKFTVVVLRATKVTKGTFGDMLDTPDPYVELFISSTPDSRKRTRHFNNDINPVWNETFEFILDPNQENILEITLMDANYVMDETLGTTTFPISSMKVGEKKQVPFIFNQVTEMILEMSLEVCSSPDLRFSMALCDQEKAFRQQRKENIKENMKKLLGPKNSEGLHSTRDVPVVAILGSGGGFRAMVGFSGVMKALYESGILDCATYIAGLSGSTWYMSTLYSHPDFPEKGPEEINKELMKNVSHNPLLLLTPQKIKRYVESLWRKKSSGQPVTFTDIFGMLIGETLIHNRMNTTLSSLKEKVN... | 0 |
14,900 | 79,255 | UN | 79,255 | A0A2K9M484 | 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 | MEARVMTPFTYFSLPMQKQFLANQQAVQGKPYAEFFRSKISVPLSAVEKIQQGPMPLADTLTPSIEDLNRMLAADFISEEAGYALLPGPMAYVQSRKFFPNCTAEMLKWWFMWHPLEAERYTLWFPYAHVENPCVHHERLSDTTLSFEESLYGNTFCASEYVGDRLMHLHIHFRDPCELGFCPDLYRESKIDGSVSALMSLAHEPQVPVSLMAHLFKECPEGLYLTSRYWVGSHPAMQRFPGAERAAQLLEESGLGEVELETLAYEFAVHDMCEFNHLASILPSLHAQFSGAK | 0 |
14,901 | 79,315 | UN | 79,315 | Q652Q8 | [H][C@]12C[C@@H](O)[C@]3([H])[C@@]([H])([C@](C)(CCC=C(C)C)O[C@@H]4O[C@H](CO[C@@H]5O[C@@H](CO)[C@H](O)[C@H]5O)[C@@H](O)[C@H](O)[C@H]4O)CC[C@@]3(C)[C@]1(C)CC[C@@]1([H])C(C)(C)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)CC[C@]21C.[H]O[H]>>OC[C@@H]1OC(O)[C@H](O)[C@H]1O.[H][C@]... | null | CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO[C@@H]2O[C@@H](CO)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O)[C@H]1CC[C@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(C)(C)[C@@H]3CC[C@]12C.O>>CC(C)=CCC[C@](C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)... | MDLQEAAMEARNGHRIPPTEEKVIIDTDPGIDDSVAIMMAFEAPGVKVVGLTTIFGNCTTSHATRNALILCDRAGRPEVPVAEGSAEPLKGGKPHVADFVHGSDGLGNTSFPDPTTTNKVEQSAAEFLVDKVSESPGEISVLALGPLTNIALAMKKDSSFASKVKRIVVLGGAFFAAGNATPSAEANIHSDPEAADIVFTSGADIYVVGLNITTQVYFTDKDMLELRNSKGKHAQFLCDICKFYRDWHVHSYGVDALFLHDPVSFTALVHPEYFTFKKGVVRVETQGICKGHTSMDMGLKKWNSDNPWTGYSPISVAWTV... | 0 |
14,902 | 46,568 | UN | 46,568 | Q9M880 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALLLNSTMTVAMKQNPATAVSFMQTTCLGSSFSPPRHLQVSCVATNPSKTFRPIKEVSNQVTHTITQEKLEIFKSMENWAQENLLSYLKPVETSWQPQDFLPETKDEDRFYEQVKELRDRTKEIPDDYFVVLVGDMITEEALPTYQTVMNTLDGAKDETGVSLTPWAVWLRAWTAEENRHGDLLNKYLYLSGRVDTRHVEKTIQYLIGSGMDTKYENNPYNGYIYTSFQERATFISHANTAKLATTYGDTTLAKICGTIAADEKRHEMAYTRIVEKLFEIDPDGTVQALASMMRKRITMPAQLMHDGRDDNLFDHYAAV... | 0 |
14,903 | 69,316 | UN | 69,316 | Q9X759 | 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 | MNKKAMAAAVSMILAGGAHAAQQERPNVIVIIADDMGYSDISPFGGEIPTPNLQAMAEQGMRMSQYYTSPMSAPARSMLLTGNSNQQAGMGGMWWYDSTIGKEGYELRLTDRVTTMAERFKDAGYNTLMAGKWHLGFVPGATPKERGFNHAFAFMGGGTSHFNDAIPLGTVEAFHTYYTRDGERVSLPDDFYSSEAYARQMNSWIKATPKEQPVFAWLAFTAPHDPLQAPDEWIKRFKGQYEQGYAEVYRQRIARLKALGIIHDDTPLPHLELDKEWEALTPEQQKYTAKVMQVYAAMIANMDAQIGTLMETLKQTGRDK... | 0 |
14,904 | 51,008 | UN | 51,008 | P12691 | [Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+] | 1.1.2.7 | CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2] | MLEKHRVLDSAPEYVDKKKYLWILSTLWPATPMIGIWLANETGWGIFYGLVLLVWYGALPLLDAMFGEDFNNPPEEVVPKLEKERYYRVLTYLTVPMHYAALIVSAWWVGTQPMSWLEIGALALSLGIVNGLALNTGHELGHKKETFDRWMAKIVLAVVGYGHFFIEHNKGHHRDVATPMDPATSRMGESIYKFSIREIPGAFIRAWGLEEQRLSRRGQSVWSFDNEILQPMIITVILYAVLLALFGPKMLVFLPIQMAFGWWQLTSANYIEHYGLLRQKMEDGRYEHQKPHHSWNSNHIVSNLVLFHLQRHSDHHAHPT... | 0 |
14,905 | 56,304 | UN | 56,304 | A0A0X1KHF9 | 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... | MKPYVLKFQEIRPHSEALVGGKGMNLGACSNIEGVHVPAGFCLTTEAYKRTLAENNEFTQLLQRLSSLKTSDMDAIREISETIRTLIQHTQIPSEIASYMDATLLDVGGYEMPFAVRSSATAEDLPHASFAGQHDTYLNIIGKDALLQHISMCWASLFTERAIIYRIQNQFDHRKVQLAVVIQQMISPEASGILFTADPITSNRKSLSIDASFGLGEALVSGLVSADSYTVRENTITNKIIATKKLAIYSLKEGGTETRILEKSQQTKQTLTDQQIIQLAKLGRKIEAYFGKPQDIEWCLAEGAFYIVQSRPITTLYPIP... | 1 |
14,906 | 81,163 | UN | 81,163 | Q3LFU0 | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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-].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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].CC1=C(C)C=C2C(=C1)/N=C1/C(... | null | CCCCCCC/C=C/CCCC/C=C/[C@H](O)C[C@H](O)[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.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>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H... | MFSVFGLSIPISATELLLASATFCLVFWVVRAWQPRVPKGLKSPPGPWSWPLIGHVLTLGKSPHLALSRLSQRYGDVLQIRIGCTPVLVLSGLDTIRQALVRQGDDFKGRPDLYSFTLVADGQSMTFNPDSGPVWAARRRLAQNALKSFSIASDPASSSSCYLEEHVSKESEYLIGKFQELMAGSGRFDPYRYVVVSVANVICAMCFGRRYDHESQVLLSVVGLSNEFGAVAASGNPADFIPILRYLPNTALDDFKDLNRRFYIFMQKMLKEHYKTFEKGRIRDITDSLIEHCQGKRLDENANIQLSDEKIVNVVMDLFG... | 0 |
14,907 | 46,568 | UN | 46,568 | O22832 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H] | 1.14.19.40 | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC#C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MALKFNPLVASQPYKFPSSTRPPTPSFRSPKFLCLASSSPALSSGPKEVESLKKPFTPPREVHVQVLHSMPPQKIEIFKSMENWAEENLLIHLKDVEKSWQPQDFLPDPASDGFEDQVRELRERARELPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENNPYLGFIYTSFQERATFISHGNTARQAKEHGDIKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVMAFADMMRKKISMPAHLMYDGRNDNLFDNF... | 0 |
14,908 | 65,780 | UN | 65,780 | D5E3H2 | COC1=C(Cl)C=C(NC(=O)N(C)C)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(OC)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H] | null | COc1ccc(NC(=O)N(C)C)cc1Cl.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(OC)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MKKVTVDDFSSPENMHDVIGFYKKLTEHQEPLIRLDDYYGLGPAWVALRHDDVVTILKNPRFLKDVRKFTPLQDKKDSIDDSTSASKLFEWMMNMPNMLTVDPPDHTRLRRLASKAFTPRMIENLRPRIQQITNELLDSVEGKRNMDLVADFSFPLPIIVISEMLGIPPLDQKRFRDWTDKLIKAAMDPSQGAVVMETLKEFIDYIKKMLVEKRNHPDDDVMSALLQAHEQEDKLSENELLSTIWLLITAGHETTAHLISNGVLALLKHPEQMRLLRDNPSLLPSAVEELLRYAGPVMIGGRFAGEDIIMHGKMIPKGEM... | 0 |
14,909 | 78,655 | UN | 78,655 | F0ZLU4 | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@@H](C)[C@@]13C=CC[C@@]3(C)CC2(C)C.O=P([O-])([O-])OP(=O)([O-])O | null | CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CC[C@H]2C(C)(C)C[C@]3(C)CC=C[C@]123.O=P(O)(O)OP(=O)(O)O | MSLSLSDIKFPESWELIPNERNYIDYVYKESVELGVWRPDNKRDLIAHNNVVSLSKFFWPNMDFERLVMGGELMVWFFTFDDALDAGIYNDEQQAQVVKRMSDVFMNGTVEDDASGPEKMALHLRNKCEVMCGERKDTFNRFISSCIQWVDSIIPFNKIKIDGASPDIELYSYLRKINIGAFPCVTLTEVMLDHEIDHYVWYDPRWIKMNEDIAIITTLINDLVSYEKEVNDNAGDLNPLFFIQKQRKVPLTESFKEVVGLINHWVKDFTNLEESFMKSHKFKNSKQKRDFECMLEHLHYLASGSKLWSMQTPRYCSPTS... | 0 |
14,910 | 74,147 | UN | 74,147 | Q9KJF4 | 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](... | MSEQKPNKKPEKKPDITFFHPDLLEAPADGRAPYLKGYRCKKCGQLDFPKLSPCPSCWGEEFEVVPLSRRGKLYSFSDNFIGQAGMKTPYSFGYIDLPENLRIFAQLEGAPGSFRCDDEVELTVGTVRDNRDGVPLISYKFRKI | 1 |
14,911 | 13,961 | UN | 13,961 | P41646 | 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)... | MSTKIVETITLECETGNYHSFCPISCVSWLYQKIEDSFFLVVGTKTCGYFLQNALGVMIFAEPRYAMAELEEGDISAHLNDYEELKTLCIRIRKDRDPSVIIWIGTCTTEIIKMDLEGMAPKLEYEIGVPILVARANGLDYAFTQGEDTVLAVMAHRCPDQELPIGESKETKTKLFPFPLLKEKNLVEYANHPPLVIFGSLPSNLVSQLDTELRRQFIKVSGWLPAQRYADLPSLGDGVYVCGVNPFLSRTATTLIRRKKCELIVAPFPIGPDGTRAWIERICPVFGIEAQSLEEREERIWESLKDYLDLVRGKSVFFMG... | 0 |
14,912 | 64,168 | UN | 64,168 | Q9AGP1 | 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 | MSQNKSYRLPAEQSPAARIDRGEALVLSVDGKQLDAFRGDTVASAMLANGQRSCGNSMYLDRPRGIFSAGVEEPNALVTVAARHEEDINESMLAATTVPVTANLSATLLRGLGVLDPSTDPAYYDHVHVHTDVLVVGAGPAGLAAAREASRSGARVLLLDERAEAGGSLRDAAGEQIDGQDAAAWIDATAAELASAAETTHLQRTTVLGSYDANYVIAAQRRTVHLDAPSGAGVSRERIWHIRANQVVLATGAHERPIVFQNNDRPGIMLAGAVRSYLNRYGVRAGTRIVVATTNDSAYPLVADLAASGGVVAVVDARTT... | 0 |
14,913 | 80,951 | UN | 80,951 | B4TUM9 | [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)NCCSC(*)=O)C(*)=O>>[1*][C@H](CC(=O)NCC(=O)[O-])OC([2*])=O.*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(*)=O)C(*)=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.[1*][C@H](CC(=O)NCC(=O)O)OC([2*])=O | MLFGFFRNLFRVLYRVRVTGDVRALQGNRVLITPNHVSFIDGMLLALFLPVRPVFAVYTSISQQWYMRWLTPLIDFVPLDPTKPMSIKHLVRLVEQGRPVVIFPEGRISVTGSLMKIYDGAGFVAAKSGATVIPLRIDGAELTPFSRLKGLVKRRLFPRIQLHILPPTQIPMPEAPRARDRRKIAGEMLHQIMMEARMAVRPRETLYESLLAAQYRYGAGKNCIEDINFTPDTYRKLLTKKLFVGRILEKYSVEGEKIGLMLPNAAISAAVIFGAVSRRRIPAMMNYTAGVKGLTSAITAAEIKTIFTSRQFLDKGKLWH... | 0 |
14,914 | 81,159 | UN | 81,159 | Q8MI29 | 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... | MKSGIRVALVTGSNKGIGLAIVRDLCRLFSGEVVLTARDVARGQAAVQQLQAEGLSPRFHQLDIDDLQSIRTLRDFLLKEYGGLDVLVNNAGIAFKVADPTPFHIQAEVTMKTNFFGTRDVCTELLPLIKPQGRVVNISSMMSLRALKSCSPELQQKFRSETITEEELVGLMNKFAEDTKKGVHQKEGWPSSAYGVTKIGVTVLSRIHARKLSEQRKGDKILLNACCPGWVRTDMAGPSATKSPEEGAETPVYLALLPLDAEGPHGQFVMEKRVEQW | 0 |
14,915 | 78,487 | UN | 78,487 | A1T1K1 | NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC[NH3+])[C@@H](O)[C@H]2O)C=C1.O=C=O | null | Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1>>NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O=C=O | MTAATIPGLDNAPTKHQGLLEWVREVAELTQPDRVAWADGSQEEYDRLCAQLVEAGTFKKLNPEKQPNSYLALSDPSDVARVESRTFICSKREIDAGPTNNWMDPAEMRGILTDLYRGCMRGRTLWVVPFCMGPLDADDPKLGVEITDSEYVVVSMRTMTRMGAAALQKMGDDGFFVKALHSIGAPLEPGQKDVPWPCNDTKYITHFPETREIWSYGSGYGGNALLGKKCYSLRIASAMAHDEGWLAEHMLILKLISPENKAYYIAAAFPSACGKTNLAMLQPTIPGWRAETVGDDIAWMRFGKDGRLYATNPEFGFFGV... | 0 |
14,916 | 64,164 | UN | 64,164 | D3V9Q4 | C[C@]([NH3+])(CO)C(=O)[O-]>>C[C@H]([NH3+])C(=O)[O-].[H]C([H])=O | null | C[C@](N)(CO)C(=O)O>>C=O.C[C@H](N)C(=O)O | MEYFDIEEVSSKILHELLQYRRRFPESEHTIQYEENKVSEVQLPRIRAFVEQGKPIECILPAFPTKSPNPRKVLGKMPDMAEKLSLMFLNSLCQRIQLYYPPGAKIIICSDGHVFSDLIHVDDNTITDYQVEIEKLLHESGATHLSVFNLGNVESLTQYTDDYDQLRELLVKNYASSTEEIKAILKENEEGLLLYRAITRFLYEDSLLPEYTGSKNALQKDARQRSVGVIQRSWAWGNLLAEQFPQAIRLSIHPQSVESLKLGIHMMPTRDDWLTPWHGVAANINGQFVLMKSDEVKNLQGKLIHIRGVPSHYVIETESE... | 0 |
14,917 | 80,255 | UN | 80,255 | A2S7V6 | NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H]([NH3+])C(=O)[O-])=C2)NC1=O.O=C([O-])CC(O)(CC(=O)[O-])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C(OCC[C@H](NC(=O)C[C@](O)(CC(=O)[O-])C(=O)[O-])C(=O)[O-])=C2)NC1=O... | null | N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](N)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=C(O)CC(O)(CC(=O)O)C(=O)O>>N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)c(OCC[C@H](NC(=O)C[C@](O)(CC(=O)O)C(=O)O)C(=O)O)c2)NC1=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O.... | MTTILENLPAGQKVGIAFSGGLDTSAALHWMRIKGAVPYAYTANLGQPDEDDYDAIPKRAIQYGAEGARLIDCRAQLVAEGIAALQCGAFHISTAGVTYFNTTPIGRAVTGTMLVAAMKEDGVNIWGDGSTYKGNDIERFYRYGLLVNPDLKIYKPWLDQQFIDELGGRAEMSEFMRQAGFEYKMSAEKAYSTDSNLLGATHEAKDLESLESGIKIVNPIMGVAFWRDDVKIDKEEVTIRFEEGRPVALNGVEYKDAVALLLEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGLALLYIAYERLVTGIHNEDTIEQY... | 0 |
14,918 | 79,651 | UN | 79,651 | P56007 | 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 | MREAIIKRAAKELKEGMYVNLGIGLPTLVANEVSGMNIVFQSENGLLGIGAYPLEGSVDADLINAGKETITVVPGASFFNSADSFAMIRGGHIDLAILGGMEVSQNGDLANWMIPKKLIKGMGGAMDLVHGAKKVIVIMEHCNKYGESKVKKECSLPLTGKGVVHQLITDLAVFEFSNNAMKLVELQEGVSLDQVKEKTEAEFEVRL | 0 |
14,919 | 56,376 | UN | 56,376 | Q9SVQ1 | O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O | MEFVTETLGKRIHDPYVEETRCLMIPGPIIVGSGPSGLATAACLKSRDIPSLILERSTCIASLWQHKTYDRLRLHLPKDFCELPLMPFPSSYPTYPTKQQFVQYLESYAEHFDLKPVFNQTVEEAKFDRRCGLWRVRTTGGKKDETMEYVSRWLVVATGENAEEVMPEIDGIPDFGGPILHTSSYKSGEIFSEKKILVVGCGNSGMEVCLDLCNFNALPSLVVRDSVHVLPQEMLGISTFGISTSLLKWFPVHVVDRFLLRMSRLVLGDTDRLGLVRPKLGPLERKIKCGKTPVLDVGTLAKIRSGHIKVYPELKRVMHY... | 0 |
14,920 | 70,779 | UN | 70,779 | O24357 | OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O.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(... | 1.1.1.432 | 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.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O>>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[C@H]1OC(O)[C@H](O)[C@... | MEELVSCHHLPLLCLQSSVPPNGCLTFFQDSACQRCSHSEFSNGHPLNDVSLQNDVAVNPIVAKSIDPSADLQLLPLLESVKEEPTLSIIVVGASGDLAKKKIFPALFALFYENCLPENFTVFGFSRTEMNDEELRTMISKTLTCRIDQRENCGEKMDHFLQRCFYHSGQYNSEDDFSGLDCKLKEKEAGRLQNRLFYLSIPPNIFVDVVRCVSHRASSASGWTRVIVEKPFGRDSDSSRELTRSFKQYLSEDQIFRIDHYLGKELVENLSVLRFSNLVFEPLWSRNYIRNVQLIFSEDFGTEGRGGYFDNYGIIRDIMQ... | 0 |
14,921 | 56,272 | UN | 56,272 | C4R613 | [Fe+3].[Fe+3].[Fe+3].[Fe+3].CO.[H]O[H]>>[Fe+2].[Fe+2].[Fe+2].[Fe+2].[H]C(=O)[O-].[H+].[H+].[H+].[H+].[H+] | null | CO.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3]>>O=CO.[Fe+2].[Fe+2].[Fe+2].[Fe+2] | MITHRSNNVQYEVTPPSVEEDLGPQFEFYWTRQKDPHSIRRKLILAKHPEVAKLCGPEWRTKYIASAVVLLQLSIAYALKNTPVLSFKFLALAYVVGATANQNCFLCIHELSHNLAFRKPLHNKLFAIWVNLPIGVPYSASFQPYHQLHHKFLGDEVLDTDLPTPLEATVLSSLLGKAFFATFQIFFYALRPMMVTSIDMTFIHLLNVLVCLVSDFILIKFGSANSLWYLILSSFFAGSLHPTAGHFIAEHYLLDPPKHYTQFQDVPPLETYSYYGMLNLFTWNVGYHNEHHDFPFIAWSKLPLLRTIAHDFYQPLPKHT... | 0 |
14,922 | 76,543 | UN | 76,543 | Q4WHT8 | CC(=O)N[C@@H](CSC(CC(=O)[O-])C(=O)[O-])C(=O)[O-]>>CC(=O)N[C@@H](CS)C(=O)[O-].O=C([O-])/C=C/C(=O)[O-] | null | CC(=O)N[C@@H](CSC(CC(=O)O)C(=O)O)C(=O)O>>CC(=O)N[C@@H](CS)C(=O)O.O=C(O)/C=C/C(=O)O | MASWLQIPKNSPFSLANIPFGIISSAKITSPVAAVAVGDYALNLSIFASSGGFSQLPVIQPHLGVFSQPTLNAFAALGRPVHRQVREYIQSVFRADTPFPQILKDNSTLQKEALLPLSEVTNHLPMHIGDYTDFYAGLNHAYNVGVLFRGPENALQPNYKHLPVGYHGRASSVVTSGTPIRRPNGQILANPAANPKVPTFSPCKRLDIELELAAFVSKSNELGKPVSIDEAEDHIFGVVLMNDWSARDIQAWEYVPLGPFNAKNFATTITPWVVLLDALEPFRTAGLEPGNRESLLPYLREKRELNAYDIPLEVEITNAG... | 0 |
14,923 | 74,843 | UN | 74,843 | P17988 | [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... | MEFSRPPLVHVKGIPLIKYFAETIGPLQNFTAWPDDLLISTYPKSGTTWMSEILDMIYQGGKLEKCGRAPIYARVPFLEFKCPGVPSGLETLEETPAPRLLKTHLPLSLLPQSLLDQKVKVIYIARNAKDVVVSYYNFYNMAKLHPDPGTWDSFLENFMDGEVSYGSWYQHVKEWWELRHTHPVLYLFYEDIKENPKREIKKILEFLGRSLPEETVDSIVHHTSFKKMKENCMTNYTTIPTEIMDHNVSPFMRKGTTGDWKNTFTVAQNERFDAHYAKTMTDCDFKFRCEL | 0 |
14,924 | 66,920 | UN | 66,920 | A7HT46 | O=S(=O)([O-])C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O.[H]C(=O)[C@H](O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.14 | O=C[C@H](O)[C@H](O)COP(=O)(O)O.O=S(=O)(O)C[C@H]1OC(O)(CO)[C@@H](O)[C@@H]1O>>O=C(CO)[C@@H](O)[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)CS(=O)(=O)O | MKFFVDTADIAEIRELADTGLLDGVTTNPSLIAKSGRNFLEVVEEICGVVEGPVSAEVTALDAPTMIEEGRKLAKIAKNIAVKVPLTWDGLKTCKVLTGEGTMVNVTLCFSANQALLAAKAGATFISPFIGRLDDINLDGMELIHEIREIYDNYPALETEILAASIRSANHVKDAALAGADVATVPPAVLKGLAAHPLTDKGLEMFMADWKKTGQKIL | 0 |
14,925 | 49,508 | UN | 49,508 | O75390 | [H]P(=O)([O-])CC(O)(CC(=O)[O-])C(=O)[O-]>>O=C([O-])C/C(=C/[PH](=O)[O-])C(=O)[O-].[H]O[H] | null | O=C(O)CC(O)(C[PH](=O)O)C(=O)O>>O.O=C(O)C/C(=C/[PH](=O)O)C(=O)O | MALLTAAARLLGTKNASCLVLAARHASASSTNLKDILADLIPKEQARIKTFRQQHGKTVVGQITVDMMYGGMRGMKGLVYETSVLDPDEGIRFRGFSIPECQKLLPKAKGGEEPLPEGLFWLLVTGHIPTEEQVSWLSKEWAKRAALPSHVVTMLDNFPTNLHPMSQLSAAVTALNSESNFARAYAQGISRTKYWELIYEDSMDLIAKLPCVAAKIYRNLYREGSGIGAIDSNLDWSHNFTNMLGYTDHQFTELTRLYLTIHSDHEGGNVSAHTSHLVGSALSDPYLSFAAAMNGLAGPLHGLANQEVLVWLTQLQKEVG... | 0 |
14,926 | 80,499 | UN | 80,499 | Q881F7 | [H][C@@]1(C(=O)[O-])CC[NH2+]1.[H]O[H]>>[NH3+]CCC(O)C(=O)[O-] | null | O.O=C(O)[C@@H]1CCN1>>NCCC(O)C(=O)O | MQIDFNSDMGESFGAWTIGDGVDTELMAFISSANIATGFHAGDPSTMRRTIEQAKRLGVAIGAHPGFRDLVGFGRRHINAPAQELVDDMLYQLGALRELARVQGVPLQHFKPHGALYMHLARDEEAARLLVENLQRLEPDLLLYCMPGSVICNVAQELGQPVVREFYADRAYDLSGSIVFTRNVRAHDPAEVAARVIRACQQGLVRTVEGDDLAIQFDSICLHSDTPGALALAQATRQALDGAGIEVRTPR | 0 |
14,927 | 22,480 | UN | 22,480 | Q5XI42 | [O-][N+]1=CC=C(NO)C2=C1C=CC=C2.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>O=[N+]([O-])C1=CC=[N... | 1.7.1.9 | NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.[O-][n+]1ccc(NO)c2ccccc21>>NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3... | MDSFEDKLQQLREAFNAGRTRSAEFRAAQLQGLSHFLRDNKQQLQEALAQDLHKSAFESEVSEIAISQAEVDLALRNLRSWMKDEKVSKNLATQLDSAFIRKEPFGLVLIIVPWNYPLNLTLVPLVGAIAAGNCVVLKPSEISKATEKILAEVLPRYLDQSCFAVVLGGPQETGQLLEHRFDYIFFTGNTYVGKIVMAAAAKHLTPITLELGGKNPCYVDDNCDPQTVANRVAWFRYFNAGQTCVAPDYVLCSQEMQERLVPALQNAITRFYGDNPQTSPNLGRIINQKHFERLQGLLGCGRVAIGGQSDEGERYIAPTV... | 0 |
14,928 | 77,183 | UN | 77,183 | P49189 | 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 | MSTGTFVVSQPLNYRGGARVEPADASGTEKAFEPATGRVIATFTCSGEKEVNLAVQNAKAAFKIWSQKSGMERCRILLEAARIIREREDEIATMECINNGKSIFEARLDIDISWQCLEYYAGLAASMAGEHIQLPGGSFGYTRREPLGVCVGIGAWNYPFQIASWKSAPALACGNAMVFKPSPFTPVSALLLAEIYSEAGVPPGLFNVVQGGAATGQFLCQHPDVAKVSFTGSVPTGMKIMEMSAKGIKPVTLELGGKSPLIIFSDCDMNNAVKGALMANFLTQGQVCCNGTRVFVQKEILDKFTEEVVKQTQRIKIGDP... | 0 |
14,929 | 80,087 | UN | 80,087 | Q06069 | [SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[NH3+]CCS(=O)(=O)[O-].[H]O[H].[H]O[H]>>[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[S... | null | NCCS(=O)(=O)O.O.O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe+]2[SH]3[Fe+]41>>NCC(=O)O.O=S(O)O.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4[Fe]1[SH]1[Fe]2[SH]3[Fe+]41.[SH]12[Fe]3[SH]4... | MKEVIAVKEITRFKTRTEEFSPYAWCKRMLENDPVSYHEGTDTWNVFKYEDVKRVLSDYKHFSSVRKRTTISVGTDSEEGSVPEKIQITESDPPDHRKRRSLLAAAFTPRSLQNWEPRIQEIADELIGQMDGGTEIDIVASLASPLPIIVMADLMGVPSKDRLLFKKWVDTLFLPFDREKQEEVDKLKQVAAKEYYQYLYPIVVQKRLNPADDIISDLLKSEVDGEMFTDDEVVRTTMLILGAGVETTSHLLANSFYSLLYDDKEVYQELHENLDLVPQAVEEMLRFRFNLIKLDRTVKEDNDLLGVELKEGDSVVVWMS... | 0 |
14,930 | 76,767 | UN | 76,767 | Q00763 | 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 | MGSTGETQMTPTQVSDEEAHLFAMQLASASVLPMILKTAIELDLLEIMAKAGPGAFLSTSEIASHLPTKNPDAPVMLDRILRLLASYSILTCSLKDLPDGKVERLYGLAPVCKFLTKNEDGVSVSPLCLMNQDKVLMESWYYLKDAILDGGIPFNKAYGMTAFEYHGTDPRFNKVFNKGMSDHSTITMKKILETYKGFEGLTSLVDVGGGTGAVVNTIVSKYPSIKGINFDLPHVIEDAPSYPGVEHVGGDMFVSVPKADAVFMKWICHDWSDAHCLKFLKNCYDALPENGKVILVECILPVAPDTSLATKGVVHVDVIM... | 0 |
14,931 | 15,681 | UN | 15,681 | Q8XRV9 | [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 | MLHVSMVGCGAIGQGVLELLKSDPDLCFDTVIVPEHGMDRARAAIAPFAPRTRVMTRLPAQADRPDLLVECAGHDALREHVVPALEQGIDCLVVSVGALSEPGLAERLEAAARRGHAQMQLLSGAIGAIDALAAARVGGLDAVVYTGRKPPRAWKGTPAERQFDLDALDRTTVIFEGKASDAALLFPKNANVAATLALAGLGMERTHVRLLADPTIDENIHHVEARGAFGGFELIMRGKPLAANPKTSALTVFSVVRALGNRAHAVSI | 0 |
14,932 | 13,961 | UN | 13,961 | Q32RS2 | 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)... | MKIAYWMYAGPAHIGTLRVASSFKNVHAIMHAPLGDDYFNVMRSMLERERDFTPVTASIVDRHVLARGSQEKVVENITRKDKEERPDLIVLTPTCTSSILQEDLQNFVDRAAMTSQSDVILADVNHYRVNELQAADRTLEQVVRYYLDKAHRQENLNQPITEVPSVNIIGMFTLGFHNQHDCRELKRLFQDLGIKVNEVIPEGGSVENLRNLPKAWLNIVPYREVGLMTALYLEKEFGMPYVATTPMGIVDTAKFIREIQHHINKWAPILLGKVVDYEEYIDQQTRFVSQAAWFSRSIDCQNLTGKKAVVFGDTTHAAAM... | 0 |
14,934 | 78,811 | UN | 78,811 | E3PY99 | NC(=[NH2+])NCCCC[NH2+]CC[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1.[H]O[H]>>[H]C(=O)C[C@H]([NH3+])C(=O)[O-].NC(=[NH2+])NCCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@... | 1.5.1.55 | N=C(N)NCCCCNCC[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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O>>N=C(N)NCCCCN.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.N[C@@H](CC=O)C(=O)O | MEKVKVIIMGLGAMGGGMADMLLKKQGVEIVGVVGRGKMLGTSMYDHISTPRGDREDVIVGAMEDVITEKAADVVLLCTDSFTRKAFDKIKFIVEKKINVISSAEEMAYPMAQEPELAKEIDRLAKENGVSVLGTGINPGLIMDLLVILMTGCCEEVHSILSRRVNSLSPFGPAVMEEQGIGITVEEFNKGVQEGTLAGHVGFHESIGMIADAIGWKLSAPITQSMEPIVTDVDRKSPYGFAKAGNVAGCAMKGFGYVDGELKIEMDHPQQIEPEQVGVQTGDYVIINGVPNINMVNSPEVPGGIGTIAMCVNMIPQIIN... | 0 |
14,935 | 74,071 | UN | 74,071 | B6J0K1 | *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]... | MLKAPRFWYQPRSLLGGILSPFSFLYQIIVRIRRGLYAVGLKKISKFPVSIVIVGNITVGGSGKTPFVIWLANELKNRGFRPGVVSRGYGGKANRFPQTVTENSDPLQVGDEAVLLMKKIDCPMVVCRDRGAAVKHLLRNFQCDVVIGDDGLQHYSLGRDLEIALLDDRHLGNGRCLPAGPLREPKSRLNTVDFVVPKQLRPNEIYQLKNPAKKIDFNELKELTVHAVAGIGNPGYFFKQLETLGANVIAHPFRDHYFYRSEDFNFDDDHLIILTEKDAIKCKQFDDERLFCFSVDAVVPDQFQNDFFRLISNIILRKQA... | 0 |
14,936 | 30,483 | UN | 30,483 | Q9M7B7 | CC[C@H](C)[C@H](NO)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC[C@H](C)[C@@H](C(=O)[O-])N(O)O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+] | null | CC[C@H](C)[C@H](NO)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC[C@H](C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O | MAMNVSTTATTTASFASTSSMNNTAKILLITLFISIVSTVIKLQKRASYKKASKNFPLPPGPTPWPLIGNIPEMIRYRPTFRWIHQLMKDMNTDICLIRFGKTNVVPISCPVIAREILKKHDAVFSNRPKILCAKTMSGGYLTTIVVPYNDQWKKMRKVLTSEIISPARHKWLHDKRAEEADQLVFYINNQYKSNKNVNVRIAARHYGGNVIRKMMFSKRYFGKGMPDGGPGPEEIMHVDAIFTALKYLYGFCISDYLPFLEGLDLDGQEKIVLNANKTIRDLQNPLIEERIQQWRSGERKEMEDLLDVFITLQDSDGKP... | 1 |
14,937 | 58,824 | UN | 58,824 | Q54EN1 | COC1=C(C)C(=O)C(C)=C(CC/C(C)=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)O1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>[H][C@]1(C2=C(C)C(=O)C(C)=C(OC)O2)C/C(=C/C(C)=C/C2=CC=C([N+](=O)[O-])C=C2)CO1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H].[H]O[H] | 1.14.15.37 | COc1oc(CC/C(C)=C/C(C)=C/c2ccc([N+](=O)[O-])cc2)c(C)c(=O)c1C.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>COc1oc([C@H]2C/C(=C/C(C)=C/c3ccc([N+](=O)[O-])cc3)CO2)c(C)c(=O)c1C.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1 | MLRLINKTINKNDLIKINNSKRFCSTTTNSTINKDNIYDIIIIGGGLVGSTMACSIGNNNTTKHLKVALIESSKIQTVEQSISNAIPEIRTISFNNQTIELFKSINVWDTIKSTKRVNPFNQVRVWDTSGFEGIHFQDNDIIDDGNNTTAMGYIIENNIVTSSLLSKVKQFENIELFEQLSVKSMNDYNEETIRTTSILPSVTLSNDQQLHAKLIIGADGGNSILKKQLQVPSIGRVYNQKAVVCTLKLGIKQDNNNNSSNNNNNNNNTLFQRFLPTGPIALLPLANGYANIIWSTNLMHAQYLLELDDESFLEQVKDSF... | 0 |
14,938 | 76,103 | UN | 76,103 | A0A0B5L781 | 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 | MSAASPASIIQELASAAKQYENNESGAREALIAQSRALIASLEVPSEFIQHTFWSQPALSAIVRLATDVNLFQYLKDAQEEGLNAEALASKTGMDVSLFARLARHLVAMNVITSRNGVFYGTALSNGLAAENYQQSIRFCHDVSRPSFGAFPSFFKGNGYKTPALGTTDGPFQSAHKVDISFPQWLVGNPPYLQYFNSYMSAYRAGKPNWCDNGFYPVADRLLNGFDASVSDVLLVDVGGGRGHDIATFGSQFSPLPGRLVLQDREQVINSIPADESRQFEATTHDIFTTQPVKHARAYYMHSVPHGFGDEDAVKIMANL... | 0 |
14,939 | 76,436 | LR | 76,435 | W6QEK0 | CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@@H](C(C)(C)O)O2.*.*>>CCCC[C@@H]1OC(=O)C2=C1C=CC1=C2O[C@H](C(C)(C)O)C1.[H]*[H].[H]*[H] | null | CCCC[C@H](O)c1ccc2c(c1CO)O[C@H](C(C)(C)O)C2>>CCCC[C@@H]1OC(=O)c2c1ccc1c2O[C@H](C(C)(C)O)C1 | MVQISNVWGFGLAIMASLAAAAPKDCPDGLCLRTRANLSPLEVSQELGPLISNASSIFGPSDSRWANATARYQQYAAPKFTVVVRVARESDVSVIIKYANRNSLPFYAVNRGHGLPISQAKFSGLEIDMQLLTGITIQSNGKSALFQGGTYDQQVMDTLWEEGYVTTTGSCGCVGMLGPALGGGHGRQQGFHGLISDNILKLNVVLADGTTATVSNTSHTDLFWAMKGAGHNFGVVTSFEMSIYPTQVHSWYYKNYVFTQDKLEDLFEQLNVLQGNGTQPVKMAAQYGIYMMDSTVSATEAIIWWTFGYAGSQSEAQQYL... | 1 |
14,940 | 56,304 | UN | 56,304 | Q8PZP7 | 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... | MIIGIDDTDSNEGMCTTYLGALLLEELQEYGNIETLPLLVRLNPTIPYKTRGNAAVALKLKTDCPEKVIAHVTSRIEELARMECEKTNPGAVFIQDKDYGRLRPVLMRFLEEAVRDVIEIKKAKDLISILGIASKGFKNGRGLIGALAACGAMLDQDGLDFTFEHLAYRQKDRWGTPREVDKKSFFEADKETYPETWDTVDLTNRLVVCVPHSADPVLFGIRGESPEIVNKAASLIRAEPVERFAVYRTNQGTDMHLLPAQNIAETRDMHSYRLEGTVSAAPKTLEGGHVIFAVRDREGAEIDCAAFEPTKNFRSLIRKL... | 0 |
14,941 | 80,847 | UN | 80,847 | A9X7L0 | 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 | MGSLSESHTQYKHGVEVEEDEEESYSRAMQLSMAIVLPMATQSAIQLGVFEIIAKAPGGRLSASEIATILQAQNPKAPVMLDRMLRLLVSHRVLDCSVSGPAGERLYGLTSVSKYFVPDQDGASLGNFMALPLDKVFMESWMGVKGAVMEGGIPFNRVHGMHIFEYASSNSKFSDTYHRAMFNHSTIALKRILEHYKGFENVTKLVDVGGGLGVTLSMIASKYPHIQAINFDLPHVVQDAASYPGVEHVGGNMFESVPEGDAILMKWILHCWDDEQCLRILKNCYKATPENGKVIVMNSVVPETPEVSSSARETSLLDVL... | 0 |
14,942 | 69,340 | UN | 69,340 | P49189 | C/C=C/SO>>CC/C=[S+]\[O-] | 5.3.99.12 | C/C=C/SO>>CC/C=[S+]\[O-] | MSTGTFVVSQPLNYRGGARVEPADASGTEKAFEPATGRVIATFTCSGEKEVNLAVQNAKAAFKIWSQKSGMERCRILLEAARIIREREDEIATMECINNGKSIFEARLDIDISWQCLEYYAGLAASMAGEHIQLPGGSFGYTRREPLGVCVGIGAWNYPFQIASWKSAPALACGNAMVFKPSPFTPVSALLLAEIYSEAGVPPGLFNVVQGGAATGQFLCQHPDVAKVSFTGSVPTGMKIMEMSAKGIKPVTLELGGKSPLIIFSDCDMNNAVKGALMANFLTQGQVCCNGTRVFVQKEILDKFTEEVVKQTQRIKIGDP... | 0 |
14,943 | 23,044 | UN | 23,044 | Q9ZHY3 | 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 | MSQTIDELLIPHRNAIDTIDAEILRLLNERAQHAHAIGELKGTGAVYRPEREVAVLRRIQDLNKGPLPDESVARLFREVMSECLAVERPLTIAYLGPQGTFTQQAAIKHFGHAAHTMACPTIDDCFKQVETRQADYLVAPVENSTEGSVGRTLDLLAVTALQACGEVVLRIHHNLLRKNNGSTEGIAKVFSHAQALAQCNDWLGRRLPNAERIAVSSNAEAARLVAESDDGTVAAIAGRTAAEIYGLDMVAECIEDEPNNTTRFLVMGHHETGASGSDKTSLAVSAPNRAGAVASLLQPLTESGISMTKFESRPSKSVLW... | 0 |
14,944 | 79,083 | UN | 79,083 | A2XW22 | C[C@H](CC[NH3+])[C@@H]([NH3+])C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[... | null | C[C@H](CCN)[C@@H](N)C(=O)NCCCC[C@H](N)C(=O)O.NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1>>C[C@@H]1CC=N[C@H]1C(=O)NCCCC[C@H](N)C(=O)O.N.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2... | MNALAATSRNFRQAARLLGLDSKLEKSLLIPFREIKVECTIPKDDGTLASFIGFRVQHDNARGPMKGGIRYHPEVDPDEVNALAQLMTWKTAVAAIPYGGAKGGIGCAPGELSTSELERLTRVFTQKIHDLIGAHTDVPAPDMGTNSQTMAWILDEYSKFHGHSPAVVTGKPIDLGGSLGRDAATGRGVMYATEALLAEHGKSISGSTFVIQGFGNVGSWAARIIHEKGGKVIALGDVTGSIRNKNGLDIPALMKHRNEGGALKDFHDAEVMDSSELLVHECDVLIPCALGGVLNRENAPDVKAKFIIEAANHPTDPEAD... | 0 |
14,945 | 80,647 | UN | 80,647 | Q67WQ7 | *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 | MAISMASPLSSWPWAFLGSYKYLLYGPVVGKVVQEWREQGRLPLGTSWCLHLILLLALRSLTMLFFTRRRRVVDDGVDFRQIDTEWDWDNMVIMQTLIAAVLVTSRVFPATSDLSAWDLRGWAIAVVLHVAVSEPAFYWAHRALHLGPLFSRYHSLHHSFQATQALTAGFVTPLESLILTLVAWAPLAGAFMAGHGSVSLVYGHILLFDYLRSMGYSNVEVISHKTFQDFPFLRYLIYTPSYLSLHHREKDSNFCLFMPLFDALGGTLNPKSWQLQKEVDLGKNHRVPDFVFLVHVVDVVSSMHVPFAFRACSSLPFATH... | 0 |
14,946 | 76,243 | UN | 76,243 | B4KBH3 | *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 | MDHIKLIRNKIDINHIHQLIIDQSCGACSVFVGTTRDHFEGKKVISLEYEAYESMALKEMGKICSELRIRWPTLKHIAIYHRLGSVPVAEESVVIAVSAPHRPAALESVSFAVDKLKSSVPIWKKEIYENDQIGEWKANMECPWPQFTETSSNAFEYSLCKIERQVENISESKLVQIRVSDIELTRRIKCFLKRKRDEINLHNIIDFKQQLRDSPRAESMLPKDSCARTQSILVKQQQSISHIKVHRAFEDRRQTRPDYSSQLNKLMATKHKHCELVKSNVLKNARLQNIEEYMRITPDDEDNIYNRIKNIENRILILES... | 0 |
14,947 | 79,175 | UN | 79,175 | Q9JJN4 | O=C([O-])C1CCCCC1.CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)[O-]>>CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-])[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C([O-])CCC(=O)[O-] | 2.3.1.315 | CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCC(=O)O.O=C(O)C1CCCCC1>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1CCCCC1.O=C(O)CCC(=O)O | MAALRLLAWALPRGVSALRPPPALPHRLIRRYVSDRSGSVHFYTDPVKAVEGVKDGSTVMLGGFGLCGIPENLIGALKTKGVKDLKIVSSNVGVDDFGLGILLASKQVRRVVCSYLGENALCEKLYLAGELELEMTPQGTLAERIRAGGTGVPAFYTPTGYGTLVQEGGSPIRYAPDGHLITLSEPREVREFQGRFYLLEHAIRADFALIKGWKADRSGNVIFRGSARNFNVPMCKAADISVVEVEEIVDVGTFAPEDIHVPNIYVDRVIKGPKFEKRIERLTTRDSKPAPGSKDNDPSRTRIIKRAALEFQDGMYANLG... | 0 |
14,948 | 80,223 | UN | 80,223 | A0A2R4SBW0 | [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... | MPDSSLVLVAIAGAAYIFWLVFHRYLVRSPLDNLPSPPSSPFLGNLPDIIHRQSHLWWRHVSNTYGPATKLTAFFGIQMLYTFDPKAMYSILVKDTELYPKKTAAYDDFTLFIGPGLLFAEGAQHRRQRKWLNPVFSVAQLRDVSHVFYGVAYKLEEAIRNRVGAQSQNLDVNGWMARTTLEMLGQAGLGYSFDKFTEDSTDSYGEALKSFFPVINHVPLLNLFVMTLANHIPKWLMRRVLRLAVPFPHVLRLLRISETMQKRSSEIIQQKKTALQKGDKALIHQVGEGKDIMSVLLKSNMNAPSDSEKLPDEELLAQMS... | 0 |
14,949 | 18,601 | UN | 18,601 | Q5EA20 | O=C([O-])C1=C(C(=O)[O-])C(O)=C(O)C=C1.[H+]>>O=C([O-])C1=CC(O)=C(O)C=C1.O=C=O | 4.1.1.69 | O=C(O)c1ccc(O)c(O)c1C(=O)O>>O=C(O)c1ccc(O)c(O)c1.O=C=O | MTTYSDKGEKPERGRFLHFHSVTFWVGNAKQAASYYCSKLGFEPLAYKGLETGSREVVSHVVKQGQIVFVFSSALNPWNKEMGDHLVKHGDGVKDIAFEVEDCDYIVQKARERGAKIVREPWVEQDKLGKVKFAVLQTYGDTTHTLVEKMNYTGRFLPGFEAPPFMDPQLSKLPSCSLEIIDHIVGNQPDQEMVSASEWYLKNLQFHRFWSVDDTQVHTEYSSLRSVVVANYEESIKMPINEPAPGKKKSQIQEYVDYNGGAGVQHIALKTKDIITAIRHLRERGVEFLAVPSTYYKQLREKLKMAKIRVKENIDILEEL... | 0 |
14,950 | 82,203 | UN | 82,203 | Q09426 | 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)[... | MKSYTPYFMLLWSAVGIARAAKIIIVPPIMFESHLYIFKTLASALHERGHHTVFLLSEGRDIDPSNHYSLQRYPGIFNSTTSDAFLQSKMRNIFSGRLTAVELVDILDHYTKNCDMMVGNQALIQGLKKEKFDLLLVDPNDMCGFVIAHLLGVKYAVFSTGLWYPAEVGAPAPLAYVPEFNSLLTDRMNFLERMKNTGVYLISRMGVSFLVLPKYERIMQKYNLLPAKSMYDLVHGSSLWMLCTDVALEFPRPTLPNVVYVGGILTKPASPLPEDLQRWVDGAQEHGFVLVSFGAGVKYLSEDIANKLAGALGRLPQKVI... | 0 |
14,951 | 69,651 | UN | 69,651 | Q9CPU4 | CC(C)(OO)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-].[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)[O-])C(=O)[O-]>>CC(C)(O)C1=CC=CC=C1.[NH3+][C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])C(=O)NCC(=O)[O-])C(=O)[O-].[H]O[H] | null | CC(C)(OO)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O.N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O>>CC(C)(O)c1ccccc1.N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O.O | MAVLSKEYGFVLLTGAASFVMVLHLAINVGKARKKYKVEYPVMYSTDPENGHMFNCIQRAHQNTLEVYPPFLFFLTVGGVYHPRIASGLGLAWIIGRVLYAYGYYTGDPSKRYRGAVGSLALFALMGTTVCSAFQHLGWIRPGLGYGSRSCHH | 0 |
14,952 | 81,487 | UN | 81,487 | G3XD94 | CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)[O-])[C@@H](O)[C@@H]1O.[H+]>>CC(=O)N[C@H]1[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=CC(=O)NC3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O | 4.1.1.128 | CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)O[C@H](C(=O)O)[C@@H](O)[C@@H]1O>>CC(=O)N[C@H]1[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2O)OC[C@@H](O)[C@@H]1O.O=C=O | MIDVNTVVEKFKSRQALIGIVGLGYVGLPLMLRYNAIGFDVLGIDIDDVKVDKLNAGQCYIEHIPQAKIAKARASGFEATTDFSRVSECDALILCVPTPLNKYREPDMSFVINTTDALKPYLRVGQVVSLESTTYPGTTEEELLPRVQEGGLVVGRDIYLVYSPEREDPGNPNFETRTIPKVIGGHTPQCLEVGIALYEQAIDRVVPVSSTKAAEMTKLLENIHRAVNIGLVNEMKIVADRMGIDIFEVVDAAATKPFGFTPYYPGPGLGGHCIPIDPFYLTWKAREYGLHTRFIELSGEVNQAMPEYVLGKLMDGLNEA... | 0 |
14,953 | 80,323 | UN | 80,323 | C7MGB3 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](O)[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@... | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]... | MITTTALVPARRSAVRTLLATVTEHDGVSPLDEAALLALDGEDARHLLLTADGAATDTHAAEATAGSAASADPADPADPAAPADPADPADETLLGYVSVLGDGTVQGMVDPAHRRRGHGSALLRAALALRPDAGVWVHGALEGSLAFLTDAGLTETRRLLTLRRDLGGAQPLPSAPAPTLEGLRLDTFEESRDAEAWVAVNVRAFADHPEQGALTRADLEQRLAQPWFDAEDMLVALRDETLVGFVWIKREQPGATDRDAEIYVVATDPSVQGHRVAGHLMATVLERLERDGVPGVELYVEADNAPALRLYENWGFEVSG... | 0 |
14,954 | 70,811 | UN | 70,811 | P66962 | O=C(CO)[C@H](O)CS(=O)(=O)[O-].[H]C(=O)[C@H](O)COP(=O)([O-])[O-]>>[H]C(=O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)COP(=O)([O-])[O-] | 2.2.1.15 | O=C(CO)[C@H](O)CS(=O)(=O)O.O=C[C@H](O)COP(=O)(O)O>>O=C(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=CCS(=O)(=O)O | MFNEKDQLAVDTLRALSIDTIEKANSGHPGLPMGAAPMAYTLWTRHLNFNPQSKDYFNRDRFVLSAGHGSALLYSLLHVSGSLELEELKQFRQWGSKTPGHPEYRHTDGVEVTTGPLGQGFAMSVGLALAEDHLAGKFNKEGYNVVDHYTYVLASDGDLMEGISHEAASFAGHNKLSKLVVLYDSNDISLDGELNKAFSENTKARFEAYGWNYLLVKDGNDLEEIDKAITTAKSQEGPTIIEVKTTIGFGSPNKAGTNGVHGAPLGEVERKLTFENYGLDPEKRFNVSEEVYEIFQNTMLKRANEDESQWNSLLEKYAET... | 0 |
14,955 | 33,087 | UN | 33,087 | Q57HA5 | 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 | MELYLDTANVAEVERLARIFPIAGVTTNPSIVAASKESIWDVLPRLQNAIGEEGTLFAQTMSRDAKGMVEEAKRLNNAIPGIVVKIPVTAEGLAAIKLLKKEGIVTLGTAVYSASQGLLAALAGAKYVAPYVNRVDAQGGDGIRMVQELQTLLEHHAPDSMVLAASFKTPRQALDCLLAGCQAITLPLDVAQQMLNTPAVESAIEKFEQDWKNAFGNLNL | 0 |
14,956 | 78,975 | UN | 78,975 | B7N715 | C[C@@](O)(CCOP(=O)([O-])[O-])CC(=O)[O-]>>C/C(=C\C(=O)[O-])CCOP(=O)([O-])[O-].[H]O[H] | 4.2.1.182 | C[C@@](O)(CCOP(=O)(O)O)CC(=O)O>>C/C(=C\C(=O)O)CCOP(=O)(O)O.O | MSKIVKIIGREIIDSRGNPTVEAEVHLEGGFVGMAAAPSGASTGSREALELRDGDKSRFLGKGVTKAVAAVNGPIAQALIGKDAKDQAGIDKIMIDLDGTENKSKFGANAILAVSLANAKAAAAAKGMPLYEHIAELNGTPGKYSMPVPMMNIINGGEHADNNVDIQEFMIQPVGAKTVKEAIRMGSEVFHHLAKVLKAKGMNTAVGDEGGYAPNLGSNAEALAVIAEAVKAAGYELGKDITLAMDCAASEFYKDGKYVLAGEGNKAFTSEEFTHFLEELTKQYPIVSIEDGLDESDWDGFAYQTKVLGDKIQLVGDDLF... | 0 |
14,957 | 81,319 | UN | 81,319 | Q57LN3 | *[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 | MSQTITLIKDKILSDNYFTLRNITYDLTRRNGEVIRHKREVYDRGNGATILLYNSTKKTVLLVRQFRVATWVNGNQDGMLIETCAGLLDNDEPEVCIRKEAIEETGYDVGEVRKIFELYMSPGGVTELIHFFIAEYHDSERASIGGGVEDEEIEVLELPFSRALEMVRSGEIRDGKTVLLLNYLQTSHLMD | 0 |
14,958 | 81,151 | UN | 81,151 | B5QX66 | [NH3+]C(C(=O)[O-])C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O>>CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.O=C=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](O)/C=C/CCCC/C=C/CCCCCCC)C(*)=O.NC(C(=O)O)C(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCC/C=C/CCCC/C=C/[C@H](O)CC(=O)[C@H](N)C(=O)O.O=C=O | MSWQQRVDDALTARRATDTLRRRYVVSQGAGRWLVANGRQYLNFSSNDYLGLSQHPQIIRAWQQAATRFGVGSGGSGHISGYSVAHQALEEELAQWLGYPRALLFISGFAANQAVITALMKKNDRIVADRLSHASLLEAANLSPAQLRRFIHNDTQHLSRLLQSPCVGQQLVVTEGVYSMDGDSAPLAEIQHIARRHHAWLLVDDAHGIGVTGDEGRGTCWQRGVKPELLVVTFGKGFGVSGAAVLCSESVADYLLQFARHLVYSTSMPPAQAQALSASLAVIRSDEGRERREKLAALVQRFRAGVNASRFTLLNAHSAI... | 0 |
14,959 | 77,231 | UN | 77,231 | P22413 | 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 | MERDGCAGGGSRGGEGGRAPREGPAGNGRDRGRSHAAEAPGDPQAAASLLAPMDVGEEPLEKAARARTAKDPNTYKVLSLVLSVCVLTTILGCIFGLKPSCAKEVKSCKGRCFERTFGNCRCDAACVELGNCCLDYQETCIEPEHIWTCNKFRCGEKRLTRSLCACSDDCKDKGDCCINYSSVCQGEKSWVEEPCESINEPQCPAGFETPPTLLFSLDGFRAEYLHTWGGLLPVISKLKKCGTYTKNMRPVYPTKTFPNHYSIVTGLYPESHGIIDNKMYDPKMNASFSLKSKEKFNPEWYKGEPIWVTAKYQGLKSGTF... | 0 |
14,960 | 56,272 | UN | 56,272 | O75845 | [Fe+3].[Fe+3].[Fe+3].[Fe+3].CO.[H]O[H]>>[Fe+2].[Fe+2].[Fe+2].[Fe+2].[H]C(=O)[O-].[H+].[H+].[H+].[H+].[H+] | null | CO.O.[Fe+3].[Fe+3].[Fe+3].[Fe+3]>>O=CO.[Fe+2].[Fe+2].[Fe+2].[Fe+2] | MDLVLRVADYYFFTPYVYPATWPEDDIFRQAISLLIVTNVGAYILYFFCATLSYYFVFDHALMKHPQFLKNQVRREIKFTVQALPWISILTVALFLLEIRGYSKLHDDLGEFPYGLFELVVSIISFLFFTDMFIYWIHRGLHHRLVYKRLHKPHHIWKIPTPFASHAFHPIDGFLQSLPYHIYPFIFPLHKVVYLSLYILVNIWTISIHDGDFRVPQILQPFINGSAHHTDHHMFFDYNYGQYFTLWDRIGGSFKNPSSFEGKGPLSYVKEMTEGKRSSHSGNGCKNEKLFNGEFTKTE | 0 |
14,961 | 76,387 | UN | 76,387 | Q8E272 | [NH3+][C@@H](CCCCNO)C(=O)[O-].[NH3+][C@@H](CCC(=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>>[NH3+][C@@H](CCCCNN[C@@H](CCC(=O)[O-])C(=O)[O-])C(=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+].[H+] | null | N[C@@H](CCC(=O)O)C(=O)O.N[C@@H](CCCCNO)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@@H](CCCCNN[C@@H](CCC(=O)O)C(=O)O)C(=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 | MGKEKLILAYSGGLDTSVAIAWLKKDYDVIAVCMDVGEGKDLDFIHDKALTIGAIESYILDVKDEFAEHFVLPALQAHAMYEQKYPLVSALSRPIIAQKLVEMAHQTGATTIAHGCTGKGNDQVRFEVAIAALDPELKVIAPVREWKWHREEEITFAKANGVPIPADLDNPYSIDQNLWGRANECGVLENPWNQAPEEAFGITKSPEEAPDCAEYIDITFQNGKPIAINNQEMTLADLILSLNEIAGKHGIGRIDHVENRLVGIKSREIYECPAAMVLLAAHKEIEDLTLVREVSHFKPILENELSNLIYNALWFSPATK... | 0 |
14,962 | 12,885 | UN | 12,885 | P38287 | *O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)C3... | 2.4.1.110 | *O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)[C@@H]3O)c3c(=O)[nH... | MKKELKILIIANIALLISIIHYTFDLLTLCIDDTSKDALTDEQLNPPNGFNSTFYESPPQLIPKIIHQTYKTNDIPEQWVKGRQKCIDLHPDYTYILWTDEMSDTFIKQEYPWFLDTFRSYEYPIERADAIRYFILSHYGGIYIDLDDGCERRLDPLLKVPAFLRKTSPTGVSNDVMGSVPRHPFFLKVIKSLKHYKKNWYIPYMTIMGSTGPLFISVVWKQYKRWSNTAENGAVRILQPADYKMHNNSFFSISKGSSWHTGDANFMKTLENHILSCVVTGFIFGFFILYGEFTFYTWLCSGPFNNKRYYIQWLSDKFKL... | 0 |
14,963 | 81,495 | UN | 81,495 | Q57160 | 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=... | MKPEDFRASTQRPFTGEEYLKSLQDGREIYIYGERVKDVTTHPAFRNAAASVAQLYDALHKPEMQDSLCWNTDTGSGGYTHKFFRVAKSADDLRHERDAIAEWSRLSYGWMGRTPDYKAAFGCALGGTPGFYGQFEQNARNWYTRIQETGLYFNHAIVNPPIDRHLPTDKVKDVYIKLEKETDAGIIVSGAKVVATNSALTHYNMIGFGSAQVMGENPDFALMFVAPMDADGVKLISRASYEMVAGATGSPYDYPLSSRFDENDAILVMDNVLIPWENVLLYRDFDRCRRWTMEGGFARMYPLQACVRLAVKLDFITALL... | 0 |
14,964 | 49,504 | UN | 49,504 | Q9ZCF4 | [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 | MSKVHNSEYIKELVVDNTSYKIYDINKAASDIGLPLKKLPYSLRVLLENVLRTNGNKENLLVFKEWLKTKKSNTEIDFMPARVLMQDFTGVPAIVDLAAMRDAMQKIGCNPLKINPLIPVDLVIDHSVSVDSYGNKESFDQNVHMEMKRNIERYQFLKWGQQAFNNFKVVPPGTGICHQVNLEFLSQVVWHNDGTAYPDSLVGTDSHTTMVNGLSVLGWGVGGIEAESAMLGQPITMIIPEVIGVKLIGKLAGMATATDLVLTITEILRRKKVVGKFVEFFGNGLRNLTISDRATISNMSPEYGATCGFFPIDQETLKYL... | 0 |
14,965 | 78,771 | UN | 78,771 | Q7F8T6 | 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 | MSMACTKVWRSTMYTPRRLKRTTPASRVSSTAMAAANGDASHGANGGIQIQSKEMKTAIHSNDSPKTLLKSESLHEYMLNTMVYPRENEFMRELRLITSEHTYGFMSSPPEEGQLLSLLLNLTGAKNTIEVGVFTGCSVLATALAIPDDGKVVAIDVSREYFDLGLPVIKKAGVAHKVDFREGAAMPILDNLLANEENEGKFDFAFVDADKGNYGEYHERLLRLVRAGGVLAYDNTLWGGSVALEDDSVLEEFDQDIRRSIVAFNAKIAGDPRVEAVQLPVSDGITLCRRLV | 0 |
14,966 | 80,960 | LR | 80,959 | Q8A248 | CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O>>CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCCCCCCCC)C(*)=O.CCCCCCCCCCCCC[C@@H](O)CC(=O)NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.CCCCCCCCCCCCCCCC(=O)O[C@H](CCCCCCCCCCCCC)CC(=O)NCC(=O)O | MTDDSLFLIDVDKILRTKAPKQYKYIPKFVVSYLKKIVHQDEINVFLNESKDKLGVDFLEACMEFLDAKVEVKGIENLPKEGLYTFVSNHPLGGQDGVALGYVLGRHYDGKVKYLVNDLLMNLRGLAPLCVPINKTGKQAKDFPKMVEAGFQSDDQMIMFPAGLCSRRQNGVIRDLEWKKTFIIKSIQAKRDVVPVHFGGRNSDFFYNLANVCKALGIKFNIAMLYLADEMFKNRHKTFTVTFGKPIPWQTFDKSKTPAQWAEYVKDIVYKL | 1 |
14,967 | 69,272 | UN | 69,272 | A6KXG8 | 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 | MEENYKLSHLRELEAESIHIIREVAAEFENPVMLYSIGKDSSVMVRLAEKAFYPGKVPFPLMHIDSKWKFREMIEFRDQYAKEHGWNLIVESNMEAFNAGVGPFTHGSKVHTDLMKTQALLHGLDKYRFDAAFGGARRDEEKSRAKERIFSFRDRFHQWDPKNQRPELWDIYNAKIHKGESIRVFPLSNWTELDIWQYIRLENIPIVPLYFAKERPVVNIDGNLIMADDDRLPEEYRDRIEMKKVRFRTLGCWPLTGAVESDADTIEKIVEEMMTTTKSERTTRVIDFDQDASMEQKKREGYF | 0 |
14,968 | 56,476 | UN | 56,476 | Q7X281 | *N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=C(Br)N1)C(*)=O.[Br-].CC1=CC2=C(C=C1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N3C=NC4=C3N=CN=C4N)[C@H](O)[C@@H]1O)C1=C(N2)C(=O)NC(=O)N1.O=O>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC(Br)=C(Br)N1)C(*)... | null | *N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc(Br)[nH]1)C(*)=O.Br.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1cc(Br)c(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=... | MKVACIGAGPGGLFFATLLKRSRPDAEVVVFERNRPDDTFGFGVVFSDATLDAIDAADPVLSEALEKHGRHWDDIEVRVHGERERVGGMGMAAVVRKTLLSLLQERARAEGVQMRFQDEVRDPAELDDFDLVVVCDGANSRFRTLFADDFGPTAEVASAKFIWFGTTYMFDGLTFVHQDGPHGVFAAHAYPISDSLSTFIVETDADSWARAGLDAFDPATPLGMSDEKTKSYLEDLFRAQIDGHPLVGNNSRWANFATRRARSWRSGKWVLLGDAAHTAHFSVGSGTKMAMEDAVALAETLGEASRSVPEALDLYEERRR... | 0 |
14,969 | 55,904 | UN | 55,904 | A2R6G7 | [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... | MEIPHKATVLVIGGGPGGSYTASALAREGIDIVLLEADVFPRFIDLDETFVNYGFVRKNASHGSLADTDFILQPGADTFAWNVVRSECDDLMFKHASNSGARAFDGVKVTAIEFDPLDESAIDDHPGRPVSASWKAKDGRTGSISFDYLVDASGRAGIASTKYLKSRTYNSYLKNVASWGYWRGATPYGVGTSVEGQPYFEALQDGSGWVWFIPLHNGTTSVGVVMNQELATQKKKSSTVTSSRAFYLESVEGARVISQLLQPANLDGEIKQASDWSYNASSYGSPYLRIVGDAGAFIDPYFSSGVHLAVSGGLSAAVSI... | 0 |
14,970 | 69,536 | UN | 69,536 | P0AEX2 | 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 | MSRRVATITLNPAYDLVGFCPEIERGEVNLVKTTGLHAAGKGINVAKVLKDLGIDVTVGGFLGKDNQDGFQQLFSELGIANRFQVVQGRTRINVKLTEKDGEVTDFNFSGFEVTPADWERFVTDSLSWLGQFDMVCVSGSLPSGVSPEAFTDWMTRLRSQCPCIIFDSSREALVAGLKAAPWLVKPNRRELEIWAGRKLPEMKDVIEAAHALREQGIAHVVISLGAEGALWVNASGEWIAKPPSVDVVSTVGAGDSMVGGLIYGLLMRESSEHTLRLATAVAALAVSQSNVGITDRPQLAAMMARVDLQPFN | 0 |
14,971 | 68,809 | LR | 68,808 | Q9AI62 | 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 | MRSTPHWKEAVVYQVYPRSFMDSNGDGTGDLNGIISKLDYLQQLGITLLWLSPVYRSPMDDNGYDISDYEEIADIFGSMSDMERLIAEAKARDIGILMDLVVNHTSDEHPWFIDALSSKNSAYRDFYIWRAPAADGGPPDDSRSNFGGSAWTLDEASGEYYLHQFSTRQPDLNWENPRVREAIHAMMNRWLDKGIGGFRMDVIDLIGKEVDPQIMANGRHPHLYLQQMNRATFGPRGSVTVGETWSATPEDALLYSAEERQERQELTMVFQFEHIKLFWDEQYGKWCNQPFDLLRFKAVIDKWQTALADHGWNSLFWSNH... | 1 |
14,972 | 62,376 | UN | 62,376 | Q1INQ6 | 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 | MKLRGCGTALVTPFKQDGSVDFAAQRALVEWQIESGIDFLVPCGTTGETPTLSHDEWLKVIAQTVEVNHGRVPIVAGATSNNTAEAVEKAKEVAAIKGVDAILTASPYYNKPTQEGQYLHFKAIAEAVDKPLVLYNVPGRTAANIETATLLRLAKIPNIIAVKEASGSLPQIMDVCAQKPEDFTVLSGDDALTLPILAVGGVGLVSVASNQIPKELSEMVRAALNNDWATARKLHNHFLALMNANFLESNPGPVKAVLAMMGRIEENYRLPMVPMRPENRAKLEKIAAEAGVLKNATVAQ | 0 |
14,973 | 80,323 | UN | 80,323 | P37506 | [H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)OC(=O)C[C@H](O)[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@... | null | CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]4C(C)(C)OC(=O)C[C@H](O)[C@]4(C)[C@H]3CC[C@]21C.CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O>>CC(=O)O[C@@H]1O[C@@H]([C@@H]2OC2(C)C)C[C@H]1[C@@H]1CC=C2[C@]3(C)[C@H](O)C[C@H]... | MIMKMTHLNMKDFNKPNEPFVVFGRMIPAFENGVWTYTEERFSKPYFKQYEDDDMDVSYVEEEGKAAFLYYLENNCIGRIKIRSNWNGYALIEDIAVAKDYRKKGVGTALLHKAIEWAKENHFCGLMLETQDINISACHFYAKHHFIIGAVDTMLYSNFPTANEIAIFWYYKF | 0 |
14,974 | 62,560 | UN | 62,560 | H6WZF2 | [H][C@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>[H][C@]1(C(=C)C)CC=C(CO)CC1.[H]*[H] | 1.17.99.8 | C=C(C)[C@H]1CC=C(C)CC1.O>>C=C(C)[C@H]1CC=C(CO)CC1 | MNTEPSPNHYSAISSSDQNLTRRSGNYQPTMWDFEYIQSIHNDYAGDKYMKRFNELKEEMKKMIMAEGSQELEKLELIDNLQRLGVSYHFKHEIMQILSSIKQHSTPADSLYATALKFRLLREHGFHISQEIFDGLSETHTKDTKGMLYLYEASFLATEGESELEQAWTEKHLREYLKNKNIDQNVAKLVHRALELPLHWRMLRLEARWFISFYKKRQDMIPLLLELAILDFNIVQAAHIQDLKYVARWWKETGLAENLPFARDRLVENFFWTIGVNFLPQYGYFRRIETKVNALVTTIDDVYDVFGTLDELQCFTDAIQ... | 0 |
14,975 | 79,063 | UN | 79,063 | Q7NL65 | 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.*.*>>CCC1=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)=C4CC)N3)N2)NC1=O.[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>>CCC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O | MTLYEPFLERAQQVLTRRLELAPYPIPVGFERKEALVRGEAVVTTSTAWQSPKLRQIRAAHVQGGGALQVLNFVISPRLEYDLPFFGADLVTLPGGHLIALDMQPLFRDDPAYQAKYTEPIVPLFEAHRAHLEWGGDFPEEARPFFSPAFLWTRPKETGTVETRVFAAFVDYLNAYLDFVERAEPVTHPEGLAAVERAQLRYLHYRAEKDPARGMFRRFYGPEWTEEYIHGFLFDLERRREAVHR | 0 |
14,976 | 62,560 | UN | 62,560 | A0A1D6HSP4 | [H][C@]1(C(=C)C)CC=C(C)CC1.*.[H]O[H]>>[H][C@]1(C(=C)C)CC=C(CO)CC1.[H]*[H] | 1.17.99.8 | C=C(C)[C@H]1CC=C(C)CC1.O>>C=C(C)[C@H]1CC=C(CO)CC1 | MELASTMSVAMALAAAIFVVLCSVVASARGRREKALKLPPGPRGWPVLGSLGALAGALPPHRALAALAARHGPLMHLRLGSYHTVVASSADAARLVLRTHDSALADRPDTAAGEITSYGYLGIVHTPRGAYWRMARRLCATELFSARRVESFQDVRAQEMRALARGLFGCAAGRRAVAVREHVAGATMRNILRMAVGEKWSGCYGSPEGEAFRRSLDEAFAATGAVSNVGEWVPWLGWLDVQGFKRKMKRLHDLHDHFYEKILVDHEERRRLAQASGGEFVATDLVDVLLQLSEESTKLESESEARLPRDGVKALIQDII... | 0 |
14,977 | 81,375 | UN | 81,375 | Q4WXZ5 | *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 | MLQSIPGPQHILKALTGSLGLSTIFEPDHEASQNSFQCSKPELSCHAQYHGQDTCCFNYPGGQMLQTQFWDADPAVGPVDSWTIHGLWPDFCDGGFDQYCDSKRRYSNISLILVDSGRADLLEYMSDFWKDFRGDDEDLWEHEWNKHGTCISTLETTCYADYYPQQEVVDYFNKTVEIFQKLPTYQTLANAGIVPSHTETYTLDEIQAALAKAHAAPVTIRCRNRALNEVWYHFNIAGSLQTGTFVPSEPDGLKTNCPATGIHYIPKKHREPSRTTDTPSQPTTTGTPFKGRGNLIVSSMGGRRGCIISRGKWFASGTCA... | 0 |
14,978 | 80,267 | UN | 80,267 | B3ECP2 | 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... | MSKEKIALAYSGGLDTSVMIKWLKDKYDAEIVAVTGNLGQQKEIENLESKAYSTGASAFRFVDLRKTFVEEYIWRALKAGALYEDVYPLATALGRPLLAKALVDVALEENCTMLAHGCTGKGNDQVRFEVTFASLAPHLKILAPLREWEFTSREAEIAYALEHNIPVSATKKSPYSIDENIWGISIECGVLEDPMVTPPEDAYQITTSPENAPDTPASVEIEFVKGIPVALDGERMSGLDMIQKLNDIGAANGIGRLDMIENRVVGIKSREIYEAPAATILHFAHRELERLTLEKTVFQYKKNISQDYANIIYNGTWFSP... | 0 |
14,979 | 78,971 | UN | 78,971 | A4G255 | 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 | MSKRPTIAITCGEPAGIGPEISIRAAWELRADVKSILIGDAAFLAMIAGAINPDIHLSALSWQAVRNSGLPAFPRDQITVIDCPLAAHVVPGRLDAQNGRYVLQTLDIAIDGAMQHWFDAIVTAPLQKSTINDAGVPFTGHTEYLADKTATKQVVMMLATNATLQPLRVALATTHLALKDVAAAITFDSLAGIIDILHADLQQKFGIAKPRILVTGLNPHAGEGGYLGREEIDVITPVLQAAQAKGYDVRGPYPADTLFQQKLLAGADCVLAMYHDQGLPVLKYASFGLGVNITLGLPIIRTSVDHGTALDLAAAGLGQA... | 0 |
14,980 | 79,295 | UN | 79,295 | D3SN37 | [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 | MRSIRMRAEFQGEHVSGAERIVPYHEVEKTVLELLKRPRVYDKVVITVERLKDVEIVPKALPILSYDFKSVEEARAFAVSKLVEAGVPKPVAELAIKLLHEGPNPKGGNMRGAVLMDVETGERLEPDRERGIRTTRMDWKDRKYIKEVLKKRGIKREYLERLIDALAVATKNVYCGVLAELCWSDDPEYTTGYVAGPHIGYVRIKPMKEEGVPIGGRVYFIRKENLEKIIQCLQEKPILINNL | 0 |
14,981 | 78,659 | UN | 78,659 | Q2LA60 | [H][C@@]12CC[C@@H](C(=O)[O-])[C@@]13C=CC[C@@]3(C)CC2(C)C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>[H][C@]12CC[C@H]3C(=O)OC4C(=O)C[C@@](C)(CC1(C)C)[C@@]432.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(... | null | CC1(C)C[C@]2(C)CC=C[C@@]23[C@H](C(=O)O)CC[C@@H]13.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>CC1(C)C[C@]2(C)CC(=O)C3OC(=O)[C@@H]4CC[C@@H]1[C@]342.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)... | MLLLGLLLLTALAGARLLWNKWKYRSLHLPPLAPGFLHLLQPDLPIYLLGLTQKLGPVYRLRLGLQDVVVLNSKRTIEEALIRRWVDFAGRPQMPSYKLVSQHYQDLSLGDYSLLWKAHKKLTRSALLLGIRNSMEPLVEQLTQEFCERMRAQAGTPVAIQKEFSFLTCSVICCLTFGDKEDTLVHAFHDCVEDLMKSWEHWSIQVLDIVPFLRFFPNPGLRRLKQALENRDRIVEKQLRQHKDSMVAGQWRDMTDYMLQGMGKPKVEKGHGRLLEGHVHMSVVDLFIGGTETTATTLSWAVAFLLHHPEIQQRLQEELD... | 0 |
14,982 | 73,655 | UN | 73,655 | Q84UB8 | [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] | MGADGTMSPVLTKRRPDQEINKLDIKPNHEVDIARRAPHSKPPFTLSDLRSAIPPHCFHRSLLMSSSYLIRDFALAFLFYHSAVTYIPLLPKPLACMAWPVYWFLQGSNMLGIWVIAHECGHQAFSNYGWVNDAVGFFLHTSLLVPYFPFKYSHRRHHSNTNSVEHDEVFVPRHKDGVQWYYRFFNNTPGRVLTLTLTLLVGWPSYLAFNASGRPYDGFASHYNPNAQIFNLRERFWVHVSNIGILAIYYILYRLATTKGLPWLLSIYGVPVLILNAFVVLITFLQHSHPALPHYNSDEWDWLRGALATVDRDYGFLNEV... | 0 |
14,983 | 78,484 | LR | 78,483 | Q0ZQ41 | [NH3+]C(CCP(=O)([O-])O)C(=O)[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCC([NH3+])C(=O)[O-])[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O | null | NC(CCP(=O)(O)O)C(=O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1>>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)CCC(N)C(=O)O)[C@@H](O)[C@H]2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O | MNENRTFATPDAVPVRAVVLAAGLGSRLGEPSSRRPKPLTPVAGRPILAHTLGHLAGVGVQEVVLVVGHLREAVRELAGGEYAGMKIHYVVNPDPSTTNNLRSVRLAREFLDQDVFLLEGDVVFEPAVLERLAAAPEASAVAASRPLRPLAGTVVRADADGVLTDYVDDRRQAGAFDHPGALKTANLYLLREAFLRERFLPALEELDRRLAGQGYYDYAVSDGLAAGGHAWRVADISDLAWYEVDDPGDQRQADFRFSPPREQQRILESLHGGYWRYGVTDHALLYNVHFPPAEMMEILRSDFDAVLRNYPSAHAPLTEL... | 1 |
14,984 | 80,871 | UN | 80,871 | Q9FI37 | 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 | MWRLRTGPKAGEDTHLFTTNNYAGRQIWEFDANAGSPQEIAEVEDARHKFSDNTSRFKTTADLLWRMQFLREKKFEQKIPRVIIEDARKIKYEDAKTALKRGLLYFTALQADDGHWPAENSGPNFYTPPFLICLYITGHLEKIFTPEHVKELLRHIYNMQNEDGGWGLHVESHSVMFCTVINYVCLRIVGEEVGHDDQRNGCAKAHKWIMDHGGATYTPLIGKALLSVLGVYDWSGCNPIPPEFWLLPSSFPVNGGTLWIYLRDTFMGLSYLYGKKFVAPPTPLILQLREELYPEPYAKINWTQTRNRCGKEDLYYPRSF... | 0 |
14,985 | 27,706 | UN | 27,706 | A7HVV0 | [NH3+][C@H](CO)C(=O)[O-].C[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>>C[C@@H]([NH3+])C(=O)N[C@H](CO)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+] | 6.3.2.35 | C[C@@H](N)C(=O)O.N[C@H](CO)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>>C[C@@H](N)C(=O)N[C@H](CO)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 | MSQAKHVAVLKGGWSAEREVSLVSGKGCAEALRKHGYRVTEIDAGRDLADQILKVKPDVAFNALHGRWGEDGCVQGLLEILRVPYTHSGVLASALAMHKERAKFVFRAAGLPVAESVVVPREQAAHGHVMDPPYVIKPVSEGSSVGVFIVRAGDNRPPAELTSAEWNLGDEVMAERYIAGRELTCAVMGEEIFGVTEIIANTTFYDYEAKYQTGGSRHIIPAPIDADIYAEVQRVTLAAHKALGCRGVSRADFRFDDTRPGKPELILLEVNTQPGMTPTSLVPELANLAGYSYGELVSWMVEEASCDR | 0 |
14,986 | 56,376 | UN | 56,376 | B4XY99 | O=C([O-])C1=CC(Br)=C(O)C(O)=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=CC(Br)=CC(Br)=C1O.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C... | null | Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1cc(O)c(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1cc(Br)cc(Br)c1O | MTTEAADATDRLVTAFDHHDPGYTPRTAERINTEIRERGVTWSPAYGGIWILSRYADVRAALTDWRTYSSARGVHFPRAEGMPMFSPIDYDPPAQRGIRERMAAPMTGDAVSAMVPELRRMVARLLAPLAGRGHGDLMAEFAEPFAIEVLGVAFGLSESCRARIREATRTMWTYISADRDASKFWPAFHALLAEEVERVRDEPDGSYLARLAAMRRDGSPLPDEELYSIIVSFCVAGHDNTMNSITRLVHTLAQDPALQLRLRREPELRPAVAEEALRRWCPTDRFTRVTTREVTVAGTVIPAGARVVLLFDAANRDPEK... | 0 |
14,987 | 49,512 | UN | 49,512 | Q1R6S0 | 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 | MMSESNKQQAVNKLTEIVANFTAMISTRMPDDVVDKLKQLKDAETSSMGKIIYHTMFDNMQKAIDLNRPACQDTGEIMFFVKVGSRFPLLGELQSILKQAVEEATVKAPLRHNAVEIFDEVNTGKNTGSGVPWVTWDIVPDGDDAEIEVYMAGGGCTLPGRSKVLMPSEGYEGVVKFVFENISTLAVNACPPVLVGVGIATSVETAAVLSRKAILRPIGSRHPNPKAAELELRLEEGLNRLGIGPQGLTGNSSVMGVHIESAARHPSTIGVAVSTGCWAHRRGTLRVHADLTFENLSHTRSAL | 0 |
14,988 | 49,504 | UN | 49,504 | O08451 | [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 | MQDKRTVKVGTVADTAVGGRTKSLGVEVTDSVNSFGARNRVKVGDKSYQIYRLDAVPNTEKLPYSLKVLAENLLRNEDGSNITKDHIEAIANWDPKAGASIEIQYTPARVVMQDFTGVPCIVDLATMREAIADLGGNPEKVNPLAPADLVIDHSVIADLFGTADAFERNVEIEYQRNGERYQFLRWLQGAFSDFKVVPPRRIVHQVNIEYLARVVMERVGVAYPDTCVGTDSHTTMVNGLGVLGWGVGGIEAEAAMLGQPVSMLIPRVVGFKLTGEDPAPGAATDVVLTVTEICAKHGVVGKFVEFYGEGVAEVPLANRA... | 0 |
14,989 | 82,567 | UN | 82,567 | A0A1S3ZP85 | 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 | MASTKIDDKVSIPGPVTGTGNSRFLIVSHENGGIWDLVRFGVWGNKESGDKFLHYSAGGGLLEEHLVRSDDSGGGDDRGGEVPDHRWVIFVSIIVRKLIAIFGKPMEWTGYLVEFFLNLFSLNGNFLGLLYNILHGKVVMPHRGSETFISAIGHLDGRINLYKSETLTKEIGEPDFWQKIGIGHRDLMDLCMMASKLAYENEKVVRNVVNLHWKMHFVDFYNCWNDFEKEMSTQVFLLCDKPKDANLILVSFRGTEPFDADDWITDFDYSWYEIPKLGKVHMGFLEALGLGNRTNASTFHEQLFVNNLKFANLENVHATI... | 0 |
14,991 | 81,495 | UN | 81,495 | Q9SWG0 | 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=... | MQRFFSARSILGYAVKTRRRSFSSRSSSLLFDDTQLQFKESVSKFAQDNIAPHAERIDKTNSFPKDVNLWKLMGEFNLHGITAPEEYGGLGLGYLYHCIAMEEISRASGSVALSYGAHSNLCINQLVRNGTAAQKEKYLPKLISGEHVGALAMSEPNAGSDVVGMKCKAEKVDGGYILNGNKMWCTNGPSAETLVVYAKTDTKAGSKGITAFIIEKGMTGFSTAQKLDKLGMRGSDTCELVFENCFVPEENILDKEGKGVYVLMSGLDLERLVLAAGPLGIMQACLDNVLPYIRQREQFGRPVGEFQFIQGKVADMYTAL... | 0 |
14,992 | 77,179 | UN | 77,179 | Q54527 | [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.O=O>>[H][C@]1([C@@H](O)C(N)=O)O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.O=C=O.[H]O[H] | null | 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.O=O>>NC(=O)[C@H](O)[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.O.O=C=O | MSSSSPGEPLEPTDQDLDVLLKNLGNLVTPMALRVAATLRLVDHLLAGADTLAGLADRTDTHPQALSRLVRHLTVVGVLEGGEKQGRPLRPTRLGMLLADGHPAQQRAWLDLNGAVSHADLAFTGLLDVVRTGRPAYAGRYGRPFWEDLSADVALADSFDALMSCDEDLAYEAPADAYDWSAVRHVLDVGGGNGGMLAAIALRAPHLRGTLVELAGPAERARRRFADAGLADRVTVAEGDFFKPLPVTADVVLLSFVLLNWSDEDALTILRGCVRALEPGGRLLVLDRADVEGDGADRFFSTLLDLRMLTFMGGRVRTRD... | 0 |
14,993 | 78,783 | UN | 78,783 | Q94A84 | O=C1C=C(C2=CC=C(O)C(O)=C2)OC2=CC([O-])=CC(O)=C12.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[... | null | O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1 | MKITKPHVAMFASPGMGHIIPVIELGKRLAGSHGFDVTIFVLETDAASAQSQFLNSPGCDAALVDIVGLPTPDISGLVDPSAFFGIKLLVMMRETIPTIRSKIEEMQHKPTALIVDLFGLDAIPLGGEFNMLTYIFIASNARFLAVALFFPTLDKDMEEEHIIKKQPMVMPGCEPVRFEDTLETFLDPNSQLYREFVPFGSVFPTCDGIIVNTWDDMEPKTLKSLQDPKLLGRIAGVPVYPIGPLSRPVDPSKTNHPVLDWLNKQPDESVLYISFGSGGSLSAKQLTELAWGLEMSQQRFVWVVRPPVDGSACSAYLSAN... | 0 |
14,994 | 81,127 | UN | 81,127 | L7T8H2 | COC1=CC(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=CC(OC)=C1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>COC1=C2\OCO\C2=C/C(C[C@H]2CN(C(C)=O)[C@@H](CC3=CC=CC=C3)CN2C(=O)/C=C/C2=CC=CC=C2)=C\1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H]... | null | COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc(OC)c1O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>COc1cc(C[C@H]2CN(C(C)=O)[C@@H](Cc3ccccc3)CN2C(=O)/C=C/c2ccccc2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O | MEMEMSVLAMSSTLILALAMALIFLFKAKSSSAIKWPPGPKTLPIIGNLHQLGGDELHIVLAKLARVHGAIMTIWMAKKPVIVVSDVNSVWEVLVSKSSDYAARDAAEISKIVSASSHSINTSDSGPYWQTLRRGLTHGPLGPLNISAQIPIQQRDMQRVIREMQQDAAANGGIIKPLDHLKRSSTRLVSRLIFGDTFDNDPYNDSMHEVVQDLNRFGGIALLEQAFSFAKHLPSYKRGVKEFHIHKRKIDDLVRPVVASANPPSNSYLGFLQSQNYSEEIIIACIFELYLLAMDSSASTATWALAFMIRDQQVQEKLYQ... | 0 |
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