Datasets:
GENTEL-Lab
/
AlphaEnzyme-data

Dataset card Data Studio Files
xet
 Community
1
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
14,385
81,995
UN
81,995
P16165
CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C=C2O)=C1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>CCCC/C=C/C=C/CC1=C(C(=O)[O-])C(O)=CC(OC(=O)C2=C(C/C=C/C=C/CCCC)C=C(O)C(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2O)=C1.O=C1C=CN...
null
CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(O)cc(O)cc2C/C=C/C=C/CCCC)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCC/C=C/C=C/Cc1cc(OC(=O)c2c(C/C=C/C=C/CCCC)cc(O)c(C3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2O)cc(O)c1C(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP...
MAPADGESSPPPHVAVVAFPFSSHAAVLLSIARALAAAAAPSGATLSFLSTASSLAQLRKASSASAGHGLPGNLRFVEVPDGAPAAEETVPVPRQMQLFMEAAEAGGVKAWLEAARAAAGGARVTCVVGDAFVWPAADAAASAGAPWVPVWTAASCALLAHIRTDSLREDVGDQAANRVDEPLISHPGLASYRVRDLPDGVVSGDFNYVISLLVHRMGQCLPRSAAAVALNTFPGLDPPDVTAALAEILPNCVPFGPYHLLLAEDDADTAAPADPHGCLAWLGRQPARGVAYVSFGTVACPRPDELRELAAGLEASAAPF...
0
14,386
18,601
UN
18,601
E9CWP5
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
MAPAADSPTLQPAQPSDLNQYRGYDHVHWYVGNAKQAATYYVTRMGFERVAYRGLETGSKAVASHVVRNGNITFILTSPLRSVEQASRFPEDEALLKEIHAHLERHGDGVKDVAFEVDCVESVFSAAVRNGAEVVSDVRTVEDEDGQIKMATIRTYGETTHTLIERSGYRGGFMPGYRMESNADATSKFLPKVVLERIDHCVGNQDWDEMERVCDYYEKILGFHRFWSVDDKDICTEFSALKSIVMASPNDIVKMPINEPAKGKKQSQIEEYVDFYNGAGVQHIALRTNNIIDAITNLKARGTEFIKVPETYYEDMKIRL...
0
14,387
69,468
UN
69,468
A9R095
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](CO)[C@@H](O)[C@@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
2.6.1.122
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](CO)[C@@H](O)[C@@H]1N.O=C(O)CCC(=O)C(=O)O>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.N[C@@H](CCC(=O)O)C(=O)O
MQSFLPFSRPAIGSEEINAVANVLGSGWITTGPQNHQLETDFCQIFGCKHAIAVCSATAGMHITLLALGIGPGDEVITPSQTWVSTINMIVLLGAEPVMVDVDRDTLMVNAAAIEAAITPNTKAIIPVHYAGAPCDLDALRQISQRHGIPLIEDAAHAVGTRYRDQWIGEQGTAIFSFHAIKNITCAEGGLVATDDDELAARVRRLKFHGLGVDAFDRQIQGRSPQAEVVEPGYKYNLSDIHAAIAVVQLRRLPEINARRQALVASYHKALAHLPLQPLALPHYSHQHAWHLFMVRVDEERCGISRDQLMACLKDMGIGS...
0
14,388
73,831
UN
73,831
P61642
*[C@@H](O)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]([C@H](O)CO)O2)[C@@H](OP(=O)([O-])[O-])[C@@H]1OC(=O)C[C@@H](*)O.[H][C@]1([C@H](O)CO)O[C@](OP(=O)...
2.4.99.15
*[C@@H](O)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]([C@H](O)CO)O2)[C@@H](OP(=O)(O)O)[C@@H]1OC(=O)C[C@@H](*)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O[C@@]3(C(=O)O)C[C@...
MSPCGRARRQTSRGAMAVLAWKFPRTRLPMGASALCVVVLCWLYIFPVYRLPNEKEIVQGVLQQGTAWRRNQTAARAFRKQMEDCCDPAHLFAMTKMNSPMGKSMWYDGEFLYSFTIDNSTYSLFPQATPFQLPLKKCAVVGNGGILKKSGCGRQIDEANFVMRCNLPPLSSEYTKDVGSKSQLVTANPSIIRQRFQNLLWSRKTFVDNMKIYNHSYIYMPAFSMKTGTEPSLRVYYTLSDVGANQTVLFANPNFLRSIGKFWKSRGIHAKRLSTGLFLVSAALGLCEEVAIYGFWPFSVNMHEQPISHHYYDNVLPFSG...
0
14,389
81,167
UN
81,167
A0A0H3L116
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].O=C([O-])CCC(=O)[O-].O=C=O
null
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)C[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)C(=O)O.O=O>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O.O=C(O)CCC(=O)O.O=C=O
MMEYATHLSRQGYAFIPGDYYRSTEAMQFSNKEDFLDELEELKKGYENLLLDPYSPGNRWRGYAQCKKNEKGELTFGKFNPYKQTKAFNPDTGDIIRDYPLLPEAITRNRLFQTLLHDDLSLVDAYESIGPVDSLTIGIHFFRYQATENEPAYSSPVWLHKDDEDVVFVHMINASPNMLGGDSLIASHPRSIDRVLRLEQLFDTLVVNHDKLHAVTPVGARENSGPAQRDIILITFQKNEEKTACPV
0
14,390
77,967
UN
77,967
Q2YU68
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@]1([H])C2(C)C.O=P([O-])([O-])OP(=O)([O-])O
4.2.3.221
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C/C1=C\CC/C(C)=C/CC/C(C)=C/[C@@H]2[C@@H](CC/C(C)=C/CC/C(C)=C/CC1)C2(C)C.O=P(O)(O)OP(=O)(O)O
MYDIKKWRHIFKLDSAKHISDDDLDAICMSQTDAIMIGGTDDVTEDNVIHLMSRVRRYPLPLVLEISNIESVMPGFDFYFVPTVLNSTDVAFHNGTLLEALKTYGHSIDFEEVIFEGYVVCNADSKVAKHTKANTDLTTEDLEAYAQMVNHMYRLPVMYIEYSGIYGDVSKVQAVSEHLTETQLFYGGGISSEQQATEMAAIADTIIVGDIIYKDIKKALKTVKIKESSK
0
14,391
64,872
UN
64,872
B7MI34
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO>>[H]C(=O)CO.O=C(CO)COP(=O)([O-])[O-]
null
O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO>>O=C(CO)COP(=O)(O)O.O=CCO
MQNITQSWFVQGMIKATTDAWLKGWDERNGGNLTLRLDDADIAPYHDNFHQQPRYIPLSQPMPLLANTPFIVTGSGKFFRNVQLDPAANLGIVKVDSDGAGYHILWGLTNEAVPTSELPAHFLSHCERIKATNGKDRVIMHCHATNLIALTYVLENDTAVFTRQLWEGSTECLVVFPDGVGILPWMVPGTDEIGQATAQEMQKHSLVLWPFHGVFGSGPTLDETFGLIDTAEKSAQILVKVYSMGGMKQTISREELIALGQRFGVTPLASALAL
0
14,392
82,568
LR
82,567
Q5FVH2
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
MKPKLMYQELKVPVEEPAGELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQHPAPCYDPCEAVLVESIPEGLEFPNATTSNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLQQLQALAPRGVKVRIAVSKPNGPLADLQSLLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRPFDTRYNQETPMEICLNGTPALAYLASAPPPLCPGGRTPDLKALLSVVDNARSFI...
1
14,393
46,785
LR
46,784
Q704F0
*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
MQLDTISFNNPLNSETSEDTTKLPFTLGDLKAAIPAECFQPNVTKSLFYFFRDILIIGLLYAVASYLDSWLFFPIFWLMQGTMFWALFVVGHDCGHQSFSKQKWLNDLIGHLSHTPILVPYHGWRISHRTHHKNTGNIDNDESWYPVTESQYKDMPLAQKIGRYYVFLLAYPVYLFKRSPNKEGSHFLPSSSLFKPSEKWDVLTSTVLLIGMVGLLGFLTYQWGWMWLLKYYAVPYLVFIVWLDLVTFLHHTEPELPWYRGEDWTFLKGAISSIDRDYGLVYHIHHDIGTHVAHHIFLNIPHYNLLKATEAIKPVMGEYF...
1
14,394
76,579
UN
76,579
Q8YX96
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
MNERKYAILGTGALGGYYGAKLQKAGSDVHFLLKSDYEKVNQDGLLVESKDGDFTLPQVNAYNDVAKMPKCDVVVVALKTTQNHLLPKLLPPIVKNDGIVLVLQNGLGVEEEIAEILPQVHIIGGLCFLCSNKVGAGYIHHLDYGQITLGEYAHGYSNMGITDRMQQISHDFQTAGISIELLEDLLLGRWKKLVWNIPYNGLSVVLNARTDELMADTYTRTLVEQLMYEVKAGAKSMGRNIPDSFIQTMLDYTVKMKPYRTSMKIDYDECRPLEVEAIVGNPLHKAQEVGVNLPQINCLYHQLKFLDGRNRTGQLTVDS
0
14,395
76,579
UN
76,579
P0A395
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
MAKVAILGAGNVALTLAGDLARRLGQVSSIWAPISNRNSFNSVRSLGSLELVGPDYGGDFQPQLEDDLETAISGAAFIFLTVPTMGQQGILCELANFNLSSSVLVALPGSATSLACKQTLTPAFAPIAVIEATTSPYACRRVNAQVLMLSVKRTFEVASTQALSEEVRGGFEILFPNRLQWYQNPASIFFSNTNPVAHPAGILAAKDTIEQGISPIPKFYRKFVPQAITRVTAIDEERLTIVNALGLESETDFAYCKKWYGGHASNAREFYETFEGYADIETPRNMNHRYLSEDVKHILVLWVEIAEVIGVQVPEMKSVV...
0
14,396
82,199
UN
82,199
G2WW48
CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC(O)=CC(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)C1=CC([O-])=C([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)O1.O=C1C=CN([C@@H]2O[C@H](COP(=O)([...
null
CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)cc(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>CCCCCCC(C)C/C(C)=C\C(C)/C=C(C)/C=C/C(O)C(C)(C)c1cc(O)c([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c(=O)o1.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O)...
MDTLPKAKVLVVVTVGGSTNSAPMLEVCVILASRGHTIEFATLEGRQKFADPYPFVSAVHIVGPAISAADEEVHYRRFSTWDWDTAAGKRDIVDGKIAFDAFWPETYRRLGDVVRKTRPDFIFADYHVEAAVDVASDFRLPLAVMWPQMPWLVMPQKYIPGQSGMQQRCLTSEKASLTDRLFEMTFLLRSAPYFLRWLFFVRSMRKKEGVPPRQKQPKPDHLVLTNSYYGIEVPRDTPPLVHAVGPILSESWPAMGEPFASFFAARKRICYVAFGTHVILDSAQVDKIMRGLDAALAAGVIDGIVWSLSAVARRRIESER...
1
14,397
51,008
UN
51,008
Q9Z4J7
[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]
MTTRTSPAPAGLLRPSLHCLAFAVALGSAGAALAKDVTWEDIANDDKTTGDVLQYGMGTHAQRWSPLKQVNADNVFKLTPAWSYSFGDEKQRGQESQAIVSDGVIYVTASYSRLFALDAKTGKRLWTYNHRLPDDIRPCCDVVNRGAAIYGDKVFFGTLDASVVALNKNTGKVVWKKKFADHGAGYTMTGAPTIVKDGKTGKVLLIHGSSGDEFGVVGRLFARDPDTGEEIWMRPFVEGHMGRLNGKDSTVTGDVKAPSWPDDRNSPTGKVESWSHGGGAPWQSASFDAETNTIIVGAGNPGPWNTWARTAKGGNPHDYD...
0
14,398
56,376
UN
56,376
Q6SSJ6
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
MQFHLNGFRPGNPLIAPASPLAPAHTEAVPSQVDVLIVGCGPAGLTLAAQLAAFPDIRTCIVEQKEGPMELGQADGIACRTMEMFEAFEFADSILKEACWINDVTFWKPDPAQPGRIARHGRVQDTEDGLSEFPHVILNQARVHDHYLERMRNSPSRLEPHYARRVLDVKIDHGAADYPVTVTLERCDAAHAGQIETVQARYVVGCDGARSNVRRAIGRQLVGDSANQAWGVMDVLAVTDFPDVRYKVAIQSEQGNVLIIPREGGHLVRFYVEMDKLDADERVASRNITVEQLIATAQRVLHPYKLDVKNVPWWSVYEIG...
0
14,399
78,783
UN
78,783
A0A193AUF6
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
MGSESSLVHVFLVSFPGQGHVNPLLRLGKRLASKGLLVTFTTPESIGKQMRKASNISDQPAPVGDGFIRFEFFEDGWDEDEPRRQDLDQYLPQLEKVGKVLIPQMIQKNAEQGRPVSCLINNPFIPWVSDVAETLGLPSAMLWVQSCACFLAYYHYYHGLVPFPSENAMEIDVQLPSMPLLKHDEVPSFLYPTTPYPFLRRAILGQYKNLEKPFCILMDTFQELEHEIIEYTSKICPIKTVGPLFKNPKAPNTTVKGDFMKADDCIGWLDSKPASSVVYVSFGSVVYLKQDQWDEIAYGLLNSGVNFLWVMKPPHKDSGY...
0
14,400
76,083
UN
76,083
P10635
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MGLEALVPLAVIVAIFLLLVDLMHRRQRWAARYPPGPLPLPGLGNLLHVDFQNTPYCFDQLRRRFGDVFSLQLAWTPVVVLNGLAAVREALVTHGEDTADRPPVPITQILGFGPRSQGVFLARYGPAWREQRRFSVSTLRNLGLGKKSLEQWVTEEAACLCAAFANHSGRPFRPNGLLDKAVSNVIASLTCGRRFEYDDPRFLRLLDLAQEGLKEESGFLREVLNAVPVLLHIPALAGKVLRFQKAFLTQLDELLTEHRMTWDPAQPPRDLTEAFLAEMEKAKGNPESSFNDENLRIVVADLFSAGMVTTSTTLAWGLLL...
0
14,401
49,412
UN
49,412
Q54QG0
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...
MNDSPIISVVLPFLIKDNDDKSLNYQGINNLIISIDSIIEQTFKEWELILVDDGSNNEILEQLLSKRYSTDNRIKFIINKENKGIVKSLNDAILNHCSPTSKYIARMDSDDISHPTRLQSQLKYLQSNETIDILGCPIKMFNNNKLIEILNNNNNNNNINNNVKELINIINNEESFKFIQHPDKDILMWSMFFNCCIVHPSVIFKRSIFTIEHCYEENNQFPFIEDYLFWLKSLIMKGLNISNIQSSTPLLYLRKHNNSISFKNIEKQKDSTANASCYYLNILFKRFNIDSEIIQNSSLSMKEIIQFFQLSPSSLSKINN...
0
14,402
69,468
UN
69,468
Q7BF87
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](CO)[C@@H](O)[C@@H]1[NH3+].O=C([O-])CCC(=O)C(=O)[O-]>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@H](O)[C@@H]1O.[NH3+][C@@H](CCC(=O)[O-])C(=O)[O-]
2.6.1.122
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](CO)[C@@H](O)[C@@H]1N.O=C(O)CCC(=O)C(=O)O>>CC(=O)N[C@@H]1C(=O)[C@H](O)[C@@H](CO)O[C@@H]1OP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O.N[C@@H](CCC(=O)O)C(=O)O
MQSFLPFSRPAIGSEEINAVANVLGSGWITTGPQNHQLETDFCQIFGCKHAIAVCSATAGMHITLLALGIGPGDEVITPSQTWVSTINMIVLLGAEPVMVDVDRDTLMVNAAAIEAAITPNTKAIIPVHYAGAPCDLDALRQISQRHGIPLIEDAAHAVGTRYRDQWIGEQGTAIFSFHAIKNITCAEGGLVATDDDELAARVRRLKFHGLGVDAFDRQIQGRSPQAEVVEPGYKYNLSDIHAAIAVVQLRRLPEINARRQALVASYHKALAHLPLQPLALPHYSHQHAWHLFMVRVDEERCGISRDQLMACLKDMGIGS...
0
14,403
74,155
UN
74,155
P40859
[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
MSTHFDVIVVGAGSMGMAAGYQLAKQGVKTLLVDAFDPPHTNGSHHGDTRIIRHAYGEGREYVPLALRSQELWYELEKETHHKIFTKTGVLVFGPKGESAFVAETMEAAKEHSLTVDLLEGDEINKRWPGITVPENYNAIFEPNSGVLFSENCIRAYRELAEARGAKVLTHTRVEDFDISPDSVKIETANGSYTADKLIVSMGAWNSKLLSKLNLDIPLQPYRQVVGFFESDESKYSNDIDFPGFMVEVPNGIYYGFPSFGGCGLKLGYHTFGQKIDPDTINREFGVYPEDESNLRAFLEEYMPGANGELKRGAVCMYTK...
0
14,404
76,387
UN
76,387
A9M4B1
[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
MSQNHTILQSLPVGQKVGIAFSGGLDTSAALLWMKLKGALPYAYTANLGQPDEDDYNAIPKKAMEYGAENARLIDCRAQLAHEGIAAIQCGAFHVSTGGIAYFNTTPLGRAVTGTMLVSAMKEDDVNIWGDGSTYKGNDIERFYRYGLLTNPALKIYKPWLDQQFIDELGGRHEMSEFLIANGFNYKMSVEKAYSTDSNMLGATHEAKDLEFLNSGIKIVKPIMGVAFWDENVEVSPEEVSVRFEEGVPVALNGKEYADPVELFLEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGMALFHIAYERLVTGIHNEDTI...
0
14,405
76,491
UN
76,491
A0A2C9EVE6
COC1=C(O)C=CC(/C=C/C(=O)[O-])=C1.[H]O[H]>>[H]C(=O)C1=CC(OC)=C(O)C=C1.CC(=O)[O-]
4.1.2.65
COc1cc(/C=C/C(=O)O)ccc1O.O>>CC(=O)O.COc1cc(C=O)ccc1O
MAAICQFTPKDISMEARNMTPFTYFSLPMQKLFLRNQAAVRNKPYAKYFRSEMRVPLSAVRKIQQGPMALEDTLTPSIEDINRLLEPDFVSEESGYALLPGPMAYVQSRKFFPGCTAQMFKWWFIWHPAESERYTLWFPYAHVSNPCVHHQRLCDESLSFEERLYGNTFCASEYVGDRLMHLHIDFQQPASLGLNTDLYREAKIDGSVSALMSLADHPEVPVSLMVHLFKEVPDGMYLTSRYWVGAHPSMARFPGAEKAASLLKENGFGEAELETLAYEFAVHDMCEFNHLASFLPDLYREFGTPAA
0
14,406
56,480
UN
56,480
Q57160
*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...
MKPEDFRASTQRPFTGEEYLKSLQDGREIYIYGERVKDVTTHPAFRNAAASVAQLYDALHKPEMQDSLCWNTDTGSGGYTHKFFRVAKSADDLRHERDAIAEWSRLSYGWMGRTPDYKAAFGCALGGTPGFYGQFEQNARNWYTRIQETGLYFNHAIVNPPIDRHLPTDKVKDVYIKLEKETDAGIIVSGAKVVATNSALTHYNMIGFGSAQVMGENPDFALMFVAPMDADGVKLISRASYEMVAGATGSPYDYPLSSRFDENDAILVMDNVLIPWENVLLYRDFDRCRRWTMEGGFARMYPLQACVRLAVKLDFITALL...
0
14,407
75,779
UN
75,779
Q91WL5
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)[O-]
null
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)O
MSASALSSIRFPGSISEYLQVASVLSLLLLLFKTAQLYLHRQWLLSSTQQFPSPPSHWLFGHKILKDQDLQDILTRIKNFPSACPQWLWGSKVRIQVYDPDYMKLILGRSDPKANGSYRFLAPWIGRGLLMLDGQTWFQHRRMLTPAFHYDILKPYTEIMADSVRVMLDKWEQIVGQDSTLEIFRHITLMTLDTIMKCAFSHEGSVQLDRKYKSYIQAVEDLNDLVFSRVRNIFHQNDIIYRVSSNGCKANSACKLAHDHTDQVIKSRRIQLQDEEELEKLKKKRRLDFLDILLFARMENGKSLSDKDLRAEVDTFMFEG...
0
14,408
56,304
UN
56,304
P23538
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...
MSNNGSSPLVLWYNQLGMNDVDRVGGKNASLGEMITNLSGMGVSVPNGFATTADAFNQFLDQSGVNQRIYELLDKTDIDDVTQLAKAGAQIRQWIIDTPFQPELENAIREAYAQLSADDENASFAVRSSATAEDMPDASFAGQQETFLNVQGFDAVLVAVKHVFASLFNDRAISYRVHQGYDHRGVALSAGVQRMVRSDLASSGVMFSIDTESGFDQVVFITSAWGLGEMVVQGAVNPDEFYVHKPTLAANRPAIVRRTMGSKKIRMVYAPTQEHGKQVKIEDVPQEQRDIFSLTNEEVQELAKQAVQIEKHYGRPMDIE...
0
14,409
30,495
UN
30,495
Q14T82
CC(C)[C@H](NO)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC(C)[C@@H](C(=O)[O-])N(O)O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC(C)[C@H](NO)C(=O)O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC(C)[C@@H](C(=O)O)N(O)O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MDYVNILLGLFFTWFLVNGLMSLRRRKISKKLPPGPFPLPIIGNLHLLGNHPHKSLAQLAKIHGPIMNLKLGQLITVVISSSVVAREVLQKQDLTFSNRFVPDVVHVRNHSDFSFVWLPVNSRWRTLRKIMNSSIFSGNKLDGNQHLRSKKVQELIDYCQKCAKNGEAVDIGRATFGTTLNLLSNTIFSKDLTNPFSDSAKEFKELVWNIMVEAWKTQFGGLLSFPLRKFDPQGIKRRMTNYFTKFLGLISGLIDERLKERNLRDNANIDVLDALLNISKRTQKRLTGIKSSSCLVSLFPTPFLPFIIICPFLYLLIFHR...
0
14,410
80,199
UN
80,199
Q5XI42
O=C([O-])C1=CC=C([N+](=O)[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](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.[H+].[H+]>>O=C([O-])C1=CC=C(NO)C=...
null
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.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)c1ccc([N+](=O)[O-])cc1>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@...
MDSFEDKLQQLREAFNAGRTRSAEFRAAQLQGLSHFLRDNKQQLQEALAQDLHKSAFESEVSEIAISQAEVDLALRNLRSWMKDEKVSKNLATQLDSAFIRKEPFGLVLIIVPWNYPLNLTLVPLVGAIAAGNCVVLKPSEISKATEKILAEVLPRYLDQSCFAVVLGGPQETGQLLEHRFDYIFFTGNTYVGKIVMAAAAKHLTPITLELGGKNPCYVDDNCDPQTVANRVAWFRYFNAGQTCVAPDYVLCSQEMQERLVPALQNAITRFYGDNPQTSPNLGRIINQKHFERLQGLLGCGRVAIGGQSDEGERYIAPTV...
0
14,411
66,920
UN
66,920
Q67TE2
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
MKLFIDTANVDDIREVASWGVLSGVTTNPSLVAKEGRDFMQVLREILEIVDGPISAEVISLQADDMVEEARQYYELHKNIVIKLPMTAEGLKACARLSAKGVRCNMTLIFSPNQALLCARAGAAFVSPFVGRLDDISTDGIQLIRDTAEIFDLHGIDTEIIAASIRTPGQVVEAAKAGAHIATIPPKVFHQMLKHPLTDSGIERFLKDWEAAKGRV
0
14,412
75,259
UN
75,259
A0A0A2K2F6
O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C([O-])=C2.O=O>>O=C1C=C(C2=CC(O)=C(O)C=C2)OC2=C1C(O)=C([C@@H]1O[C@H](CO)[C@@H](O)C(=O)[C@H]1O)C([O-])=C2.[H]OO[H]
1.1.3.50
O=O.O=c1cc(-c2ccc(O)c(O)c2)oc2cc(O)c([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(O)c12>>O=C1[C@@H](O)[C@H](c2c(O)cc3oc(-c4ccc(O)c(O)c4)cc(=O)c3c2O)O[C@H](CO)[C@H]1O.OO
MKLLGLLSGLVVVATALPQADFDLQSSLLTDPTKVAGTTFDYIIAGGGLTGLTVAARLTENPNITVLVIERGFYESNIGPIIENLNHYGDIFGTSVDQAFETIPLAIHNRTEIVRSGKGLGGSTLVNGGSWTRPHKAQVDSWESVFGMEGWNWDSLLPYMKKIEAARAPNAEQIAAGHYYDPSCHGTDGIVHVGPRDTGESFSPMIKSLMKNANNSGIPVQKDLGCGVPHGISMILNDVHEDQTRSDAAREWLLPNYQRSNLKILTGQMVGKVLFDTTTTTPKAVGVNFGTHAKVNFDVHARHEVLLASGSAVSPQILEH...
0
14,413
75,779
UN
75,779
Q9CX98
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)[O-]
null
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CC/C=C\CCCCC(=O)O
MSSLGDQRPAAGEQPGARLHVRATGGALLLCLLAVLLGWVWLRRQRACGIPPGPKPRPLVGNFGHLLVPRFLRPQFWLGSGSQTDTVGQHVYLARMARVYGNIFSFFIGHRLVVVLSDFHSVREALVQQAEVFSDRPRMPLISIMTKEKGIVFAHYGPIWKQQRRFSHSTLRHFGLGKLSLEPRIIEEFAYVKEAMQKHGEAPFSPFPIISNAVSNIICSLCFGQRFDYTNKEFKKVLDFMSRGLEICLHSQLFLINICPWFYYLPFGPFKELRQIERDISCFLKNIIREHQESLDASNPQDFIDMYLLHMEEEQGASRR...
0
14,414
30,479
UN
30,479
P27786
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
MWELVGLLLLILAYFFWPKSKTPNAKFPRSLPFLPLVGSLPFLPRRGHMHANFFKLQEKYGPIYSLRLGTTTAVIVGHYQLAREVLVKKGKEFSGRPQMVTLGLLSDQGKGVAFADSSSSWQLHRKLVFSTFSLFRDDQKLEKMICQEANSLCDLILTYDGESRDLSTLIFKSVINIICTICFNISFENKDPILTTIQTFTEGIVDVLGHSDLVDIFPWLKIFPNKNLEMIKEHTKIREKTLVEMFEKCKEKFNSESLSSLTDILIQAKMNAENNNTGEGQDPSVFSDKHILVTVGDIFGAGIETTSSVLNWILAFLVHN...
0
14,415
78,487
UN
78,487
O84716
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
MTGDWISKITHSGLKSWIEEVIALVSPDDVRLCDGSEAEYQQLCQQMQDAGVMTPLNPELHPNCFLVRSSPSDVARAEQFTFICTKTQEEAGPTNNWRDPQEMRAELHALFRECMRGRTLYIVPFCMGPLNSPFSLIGVEITDSPYVVCSMKIMTRMGASVLAMLGSNGTFYKCLHSVGKPLAPGEKDVAWPCDPEHMRIVHFQDDSSVMSFGSGYGGNALLGKKCVALRLASYLGHQQGWLAEHMLIIGVTNPEGRKKYFAAAFPSACGKTNLAMLMPKLPGWKVECIGDDIAWIRPGNDGRLYAVNPEFGFFGVALGT...
0
14,416
78,975
UN
78,975
Q8F4T8
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
MSHHSQIQKIQAREIMDSRGNPTVEVDVILLDGSFGRAAVPSGASTGEYEAVELRDGDKHRYLGKGVLKAVEHVNLKIQEVLKGENAIDQNRIDQLMLDADGTKNKGKLGANAILGTSLAVAKAAAAHSKLPLYRYIGGNFARELPVPMMNIINGGAHADNNVDFQEFMILPVGAKSFREALRMGAEIFHSLKSVLKGKKLNTAVGDEGGFAPDLTSNVEAIEVILQAIEKAGYKPEKDVLLGLDAASSEFYDKSKKKYVLGAENNKEFSSAELVDYYANLVSKYPIITIEDGLDENDWDGWKLLSEKLGKKIQLVGDDL...
0
14,417
74,155
UN
74,155
Q88Q83
[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
MSKQVVVVGGGVIGLLTAFNLAAKVGQVVVCDQGEVGRESSWAGGGIVSPLYPWRYSPAVTALAHWSQDFYPQLGERLFASTGVDPEVHTTGLYWLDLDDEAEALAWAAREQRPLSAVDISAAYDAVPVLGPGFKHAIYMAGVANVRNPRLVKSLKAALLALPNVSLREHCQITGFVQEKGRVTGVQTADGVLAADEVVLSAGAWSGDLLRTLGLELPVEPVKGQMILFKCAEDFLPSMVLAKGRYAIPRRDGHILVGSTLEHAGYDKTPTADALESLKASAVELLPELEGATVVAHWAGLRPGSPEGIPYIGPVPGHEG...
0
14,418
79,571
UN
79,571
P15106
NC(=[NH2+])NCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.O=P([O-])([O-])O.[H+]>>NC(=O)NCCC[C@H]([NH3+])C(=O)[O-].[H][N+]([H])([H])[H].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O
null
N=C(N)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O.O=P(O)(O)O>>N.NC(=O)NCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
MFQNADDVKKFIADEDVKFVDVRFCDLPGVMQHFTLPATAFDPDAEQAFDGSSIRGFQAIHESDMSLRPDLSTARVDPFRRDKTLNINFFIHDPITGEQYSRDPRNVAKKAEAYLASTGIADTAFFGPEAEFYVFDSVRFATRENESFYHIDSEAGAWNTGALEDNRGYKVRYKGGYFPVPPVDHFADLRAEISLELERSGLQVERQHHEVGTAGQAEINYKFNTLLAAADDLQLFKYIVKNVAWKNGKTATFMPKPIFGDNGSGMHVHQSLWSGGEPLFYDEQGYAGLSDTARYYIGGILKHAPSLLAFTNPTVNSYHR...
0
14,419
75,003
UN
75,003
A0A0G2K047
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)...
MKPSWLQCRKVTGAGTLGAPLPGSPSVRGAGVARRALVAGFGGRGCRALTTSSGGGEYKTHFAASVADPERFWGKAAEQISWYKPWTKTLENRYPPSTSWFVEGMLNICYNAIDRHIENGQGDKIAIIYDSPVTDTKATISYKEVLEQVSKLAGVLVKQGVKKGDTVVIYMPMIPQAIYAMLACARIGAIHSLIFGGFASKELSTRIDHVKPKVVVTASFGIEPGRKVEYMPLLEEALRIGQHKPDRLLIYNRPNMEKVPLMSGRDLDWEEEMAKAQSHDCVPVLSEHPLYILYTSGTTGLPKGVVRPTGGYAVMLNWTM...
0
14,420
76,083
UN
76,083
B2RXA7
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+]
null
CC1=C[C@H](O/C=C(C)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)CO)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MISWGLSCLSVLGAAGTTLLCAGLLLGLAQQLWTLRWTLSRDWASTLPLPKGSMGWPFFGETLHWLVQGSRFHSSRRERYGTVFKTHLLGRPVIRVSGAENVRTILLGEHRLVRSQWPQSAHILLGSHTLLGAVGEPHRQRRKVLARVFSRSSLEQFVPRLQGALRREVRSWCAAQRPVAVYQAAKALTFRMAARILLGLQLDEARCTELAHTFEQLVENLFSLPLDVPFSGLRKGIRARDQLYEHLDEAVAEKLQEKQTAEPGDALLLIINSARELGHEPSVQELKELAVELLFAAFFTTASASTSLILLLLQHPAAIT...
0
14,421
80,759
UN
80,759
Q70KH9
O=C(OCCO)C1=CC=C(C(=O)OCCO)C=C1.[H]O[H]>>O=C([O-])C1=CC=C(C(=O)OCCO)C=C1.OCCO.[H+]
null
O.O=C(OCCO)c1ccc(C(=O)OCCO)cc1>>O=C(O)c1ccc(C(=O)OCCO)cc1.OCCO
MREEQPHLATTWAARGWVEEEGIGSATLGRLVRAWPRRAAVVNKADILDEWADYDTLVPDYPLEIVPFAEHPLFLAAEPHQRQRVLTGMWIGYNERVIATEQLIAEPAFDLVMHGVFPGSDDPLIRKSVQQAIVDESFHTYMHMLAIDRTRELRKISERPPQPELVTYRRLRRVLADMPEQWERDIAVLVWGAVAETCINALLALLARDATIQPMHSLITTLHLRDETAHGSIVVEVVRELYARMNEQQRRALVRCLPIALEAFAEQDLSALLLELNAAGIRGAEEIVGDLRSTAGGTRLVRDFSGARKMVEQLGLDDAV...
0
14,422
76,095
UN
76,095
Q00557
CC1=C[C@H](O/C=C(C=O)\C=C\C2=C(C)CCCC2(C)C)OC1=O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)[O-])OC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+].[H+]
null
CC1=C[C@H](O/C=C(C=O)\C=C\C2=C(C)CCCC2(C)C)OC1=O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)O)OC1=O.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O
MSSIYGLLNFMSATELLLAITVFCLGFWVVRALRTQVPKGLKTPPGPWGLPILGHVLTLGKNPHLSLTKLSKQYGDVLQIRIGSTPVVVLSGLDTIRQALVRQGDDFKGRPDFYSFTLITNGKSMTFNPDCGPVWAARRRLAQDALKSFSIALDPASASSCYLEEYVIKEADYLISKFQKLMAEVGHFDPDRYLVVSVTNVICAMCFGQRYDHDDQELLSIVNLSNEFGKVTGSGYPPDFIPILRYLPNSSLDAFKDLNKKFYSFMQKSVKEHYRTFEKGHIRDITDSLIEHCQDKSLDENANVQLSDDRVINIIVDLFG...
0
14,423
81,487
UN
81,487
Q0SYY5
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
MNNNTTAPTYTLRGLQLIGWRDMQHALDYLFADGQLKQGTLVAINAEKMLTIEDNAEVRELINAAEFKYADGISVVRSVRKKYPQAQVSRVAGADLWEELMARAGKEGTPVFLVGGKPEVLAQTEAKLRNQWNVNIVGSQDGYFKPEQRQALFERIHASGAQIVTVAMGSPKQEIFMRDCRLVHPDALYMGVGGTYDVFTGHVKRAPKIWQTLGLEWLYRLLSQPSRIKRQLRLLRYLRWHYTGNL
0
14,424
78,983
UN
78,983
P53610
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@H](C)[C@@]13CCC(C)=C3C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.224
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2C[C@@]3(C)CCC(C)(C)[C@H]3[C@@H]3CC[C@H](C)[C@]23CC1.O=P(O)(O)OP(=O)(O)O
MAATEDDRLAGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLDRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLIILGDDLSRVDKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAISYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL...
0
14,425
14,769
UN
14,769
Q38Q87
[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
MLSPIEAIVGLVTFTFLFFFLWTKKSQKPSKPLPPKIPGGWPVIGHLFHFNDDGDDRPLARKLGDLADKYGPVFTFRLGLPLVLVVSSYEAVKDCFSTNDAIFSNRPAFLYGDYLGYNNAMLFLANYGPYWRKNRKLVIQEVLSASRLEKFKHVRFARIQASIKNLYTRIDGNSSTINLTDWLEELNFGLIVKMIAGKNYESGKGDEQVERFKKAFKDFMILSMEFVLWDAFPIPLFKWVDFQGHVKAMKRTFKDIDSVFQNWLEEHINKREKMEVNAEGNEQDFIDVVLSKMSNEYLGEGYSRDTVIKATVFSLVLDAA...
0
14,426
69,312
UN
69,312
P65076
O=S(=O)([O-])O/N=C(\[S-])CC1=CC=CC=C1>>N#CSCC1=CC=CC=C1.O=S(=O)([O-])[O-]
4.8.1.7
O=S(=O)(O)O/N=C(\S)Cc1ccccc1>>N#CSCc1ccccc1.O=S(=O)(O)O
MTDLITVKKLGSRIGAQIDGVRLGGDLDPAAVNEIRAALLAHKVVFFRGQHQLDDAEQLAFAGLLGTPIGHPAAIALADDAPIITPINSEFGKANRWHTDVTFAANYPAASVLRAVSLPSYGGSTLWANTAAAYAELPEPLKCLTENLWALHTNRYDYVTTKPLTAAQRAFRQVFEKPDFRTEHPVVRVHPETGERTLLAGDFVRSFVGLDSHESRVLFEVLQRRITMPENTIRWNWAPGDVAIWDNRATQHRAIDDYDDQHRLMHRVTLMGDVPVDVYGQASRVISGAPMEIAG
0
14,427
65,768
UN
65,768
Q5S3I3
*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
MTFVRNAWYVAALPEELSEKPLGRTILDTPLALYRQPDGVVAALLDICPHRFAPLSDGILVNGHLQCPYHGLEFDGGGQCVHNPHGNGARPASLNVRSFPVVERDALIWIWPGDPALADPGAIPDFGCRVDPAYRTVGGYGHVDCNYKLLVDNLMDLGHAQYVHRANAQTDAFDRLEREVIVGDGEIQALMKIPGGTPSVLMAKFLRGANTPVDAWNDIRWNKVSAMLNFIAVAPEGTPKEQSIHSRGTHILTPETEASCHYFFGSSRNFGIDDPEMDGVLRSWQAQALVKEDKVVVEAIERRRAYVEANGIRPAMLSCD...
0
14,428
80,883
UN
80,883
Q8Y0J4
[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...
MTRYARIIGTGSYLPPKRVTNHELAAQLAEQGIETSDEWIVTRSGIRARHYAEPDVTCSDLAAKAAERAIEAAGIDRAEIDLILVATSTPDFVFPSAACLVQQKLGLSNHCAAFDLQAVCSGFVYGLATADKFIRAGGYRNALVIGAEVFSRILDFNDRTTCVLFGDGAGAVVLQASDEPGILSTALHADGSHADILCVPGNVAGGAIKGSAFLYMDGQAVFKLAVNVLDKVAREALALAEVESSQIDWLIPHQANIRIMQGTAKKLGLPGERMVVTVDEHGNTSAASIPLALDAAVRDGRIQKGHHVLLEGVGGGFTWG...
0
14,429
49,504
UN
49,504
Q6YZX6
[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
MAAEHPFKNILTTLPKPGGGEYGKFYSLPALNDPRIDKLPYSIRILLESAIRNCDNFQVNQNDVEKIIDWENTSPKLAEIPFKPARVLLQDFTGVPAVVDLAAMRDAMAKLGSDANKINPLVPVDLVIDHSVQVDVARSPNAVQSNMELEFKRNNERFGFLKWGSTAFHNMLVVPPGSGIVHQVNLEYLGRVVFNTDGIMYPDSVVGTDSHTTMIDGLGVAGWGVGGIEAEATMLGQPMSMVLPGVVGFKLTGKLQNGVTATDLVLTVTQMLRKHGVVGKFVEFYGEGMGKLSLADRATIANMSPEYGATMGFFPVDHVT...
0
14,430
75,907
UN
75,907
B7IPS7
[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
null
*N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
MPKVRTKDLIEQFQLELISGEEGIHRPIDTSDLSRPGIEMAGFFTYYPADRVQLLGKTELTFFDTLTTEQKQERMKALCTEETPCIIITRNQDVPDELLQASRESGMPLLRSSQTTTRLSSRLTNYLEGKLAPTTAVHGVLVDIYGVGVLITGQSGVGKSETALELVKRGHRLVADDSVEIRQEDEDTLVGSSPDLIEHLLEIRGLGIINVMTLFGAGAVRNYKRITLVINLEIWDQKKNYDRLGLDEEKMKIIDTELTKITLPVRPGRNLAVIIEVAAMNFRLKRMGVNAAQQFSERLMSAIELGNQE
0
14,431
81,103
UN
81,103
Q9P885
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC=C(C)[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1COP(=O)(O)OP(=O)(O)O
MLNSHNRTEERSTEDIILEPYTYLISQPGKDIRAKLISAFDLWLHVPKDVLCVINKIIGMLHNASLMIDDVQDDSDLRRGVPVAHHIYGVPQTINTANYVIFLALQEVMKLNIPSMMQVCTEELINLHRGQGIELYWRDSLTCPTEEEYIDMVNNKTSGLLRLAVRLMQAASESDIDYTPLVNIIGIHFQVRDDYMNLQSTSYTNNKGFCEDLTEGKFSFPIIHAIRKDPSNRQLLNIISQKPTSIEVKKYALEVIRKAGSFEYVREFLRQKEAESLKEIKRLGGNPLLEKYIETIRVEATND
0
14,432
81,495
UN
81,495
Q6F9F6
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=...
MRFSLFVHMERVSDQQTQKQLYDEMIELCQIADRGGMHAIWTGEHHAMNFTIAPNPFLNIADLANKTKHVRLGTGTVVAPFWHPIKLAGEAAMTDIISNGRLDIGIARGAYSFEYERMVPGMDAWSAGQRLREMIPAIKNLWKGDYEHNGEFWQFPKTTSAPQPLQQPNPPIWVAARDPNSHEFAVQNGCNVQVTPLHLGDEEVEKLMGHFNSACEKFQDIERPEIMLLRHTYVADSEEDAQVAANEMNVFYNYFGAWFKNEREINQGLIAPLSDEEIAAHPFYTPEAMRKNNVIGQAQEVIDRLKAYEAMGYDEYSFWI...
0
14,433
78,519
UN
78,519
Q3SZM5
[H][C@]1([C@H](O)CO)O[C@]2(C(=O)[O-])C[C@H](O)[C@@H](NC(C)=O)[C@@]1([H])O2.[H]O[H]>>[H][C@@]1([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)[O-])C[C@H](O)[C@H]1NC(C)=O
null
CC(=O)N[C@H]1[C@H]2O[C@@](C(=O)O)(C[C@@H]1O)O[C@@H]2[C@H](O)CO.O>>CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O
MDSVEKGAATSVSNPRGRPSRGRPPKLQRNSRGGQGRGVEKPPHMAALILARGGSKGIPLKNIKHLAGVPLIGWVLRAALDSGVFQSIWVSTDHDEIENVAKQFGAQVHRRSSEASKDSSTSLDAIIEFLNYHNEVDIVGNIQATSPCLHPTDLQKVAEMIREEGYDSVFSVVRRHQFRWGEIQKGVREMTEPLNLNPAKRPRRQDWDGELYENGSFYFAKRHLIEMGYLQGGKMAYYEMRAEHSVDIDVDIDWPIAEQRVLRYGYFGKEKLKEIKLFVCNIDGCLTNGHIYVSGDQKEIISYDVKDAIGISLLKKSGIE...
0
14,434
70,811
UN
70,811
Q4R6M8
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
MADAEASAELPEEARPDGGTLRVLRDMASRLRIHSIRATCSTSSGHPTSCSSSAEIMSVLFFYIMRYKQSDPENPDNDRFVLAKRLSFVDVATGWLGQGLGVACGMAYTGKYFDRASYRVFCLMSDGESSEGSVWEAMAFASYYSLDNLVAIFDVNRLGHSGALPAEHCIDIYQRRCEAFGWNTYVVDGRDVEALCQVFWQASQVKHKPTAVVAKTFKGRGTPSIEDAESWHGKPMPRERADAIIKLIESQIETSRNLDPQLPIEDSPEVNITDVRMTSPPDYRVGDKIATRKACGLALAKLGYANDRVIVLDGDTKYST...
0
14,435
76,107
UN
76,107
O80449
COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C([O-])CCC(=O)C(=O)[O-].O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C([O-])CCC(=O)[O-].O=C=O
null
COC(=O)C(/C=C/C1=C(C)CCCC1(C)C)=C/O[C@H]1C=C(C)C(=O)O1.O=C(O)CCC(=O)C(=O)O.O=O>>CC1=C[C@H](O/C=C(\C=C\C2=C(C)CCCC2(C)C)C(=O)OCO)OC1=O.O=C(O)CCC(=O)O.O=C=O
MATCWPEPIVSVQSLSQTGVPTVPNRYVKPAHQRPVFNTTQSDAGIEIPVLDMNDVWGKPEGLRLVRSACEEWGFFQMVNHGVTHSLMERVRGAWREFFELPLEEKRKYANSPDTYEGYGSRLGVVKDAKLDWSDYFFLNYLPSSIRNPSKWPSQPPKIRELIEKYGEEVRKLCERLTETLSESLGLKPNKLMQALGGGDKVGASLRTNFYPKCPQPQLTLGLSSHSDPGGITILLPDEKVAGLQVRRGDGWVTIKSVPNALIVNIGDQLQILSNGIYKSVEHQVIVNSGMERVSLAFFYNPRSDIPVGPIEELVTANRP...
0
14,436
33,087
UN
33,087
Q6DJA3
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
MDPPCSLSARFEGSFAYLTIRDRLPQILTKVIDTVHRNKNKFFEDNGEEGVEAEKKALSFFSKLRNEIQTDKPVLPLTDNQSDTELWNQYLDYQKTLLNKGETPSWFKSPWLYVECYMYRRIQEGLVLSPPISEYDVFREGKTESFFQSQPAIIALCTYLQELKNNVANLSENQKKEELSKLLQVCLWGNKCDLSISGGLDNSQKFSILSSLESFMPFILVNDMESVWAVLSGSKNLESGKELMKRVDIVLDNAGFELITDFVLADALLSLRLASEVHFHAKCMPWFVSDTTKHDFNWTIKHLQAANHKWMSKCGVNWKE...
0
14,437
64,856
UN
64,856
M1V9Q0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C3CC[C@H](C)[C@]31C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.222
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2CC[C@H](C)[C@]23C[C@@]2(C)CCC(C)(C)[C@H]2[C@@H]3CC1.O=P(O)(O)OP(=O)(O)O
MTDPAVTPLAFSIPQLYCPFPTAIHPEVDTLTRAGMDFMTHHGFCNTEADRLVVANIDAGAIVARWYPNPDFPVDRLQMVTDFLYLYFLIDDLRFEVINSDTGLAGPIALFAQHLDLWEYPQAHRREELDLFHQAIHDLASRMAELTTPTKAARMRRSINGWFLALLREIALFNDDHAVMAEEYLPIRVVTVASRLMIDVNGFICPAEVPGDEWYSLKVQAAAEAAMSVCLYDNELYSAGKEQWLKSRATAHDRRPRNLVALIQAQTGGSTEHALQEVAEYRNRTVCLYLNLRSQLEKTASPALLAYLSVLDGVISGNLD...
0
14,438
66,920
UN
66,920
Q8DXP1
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
MKYFLDTADVSEIRRLNRLGIVDGVTTNPTIISREGRDFKEVINEICQIVDGPVSAEVTGLTCDEMVTEAREIAKWSPNVVVKIPMTEEGLAAVSQLSKEGIKTNVTLIFTVAQGLSAMKAGATFISPFVGRLEDIGTDAYALIRDLRHIIDFYGFQSEIIAASIRGLAHVEGVAKCGAHIATIPDKTFASLFTHPLTDKGIETFLKDWDSFKKK
0
14,439
74,147
UN
74,147
P17764
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](...
MAALAVLHGVVRRPLLRGLLQEVRCLGRSYASKPTLNDVVIVSATRTPIGSFLGSLASQPATKLGTIAIQGAIEKAGIPKEEVKEVYMGNVIQGGEGQAPTRQATLGAGLPIATPCTTVNKVCASGMKAIMMASQSLMCGHQDVMVAGGMESMSNVPYVMSRGATPYGGVKLEDLIVKDGLTDVYNKIHMGNCAENTAKKLSISREEQDKYAIGSYTRSKEAWDAGKFANEITPITISVKGKPDVVVKEDEEYKRVDFSKVPKLKTVFQKENGTVTAANASTLNDGAAAVVLMTAEAAQRLKVKPLARIAAFADAAVDPI...
0
14,440
76,387
UN
76,387
A2S7V6
[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
MTTILENLPAGQKVGIAFSGGLDTSAALHWMRIKGAVPYAYTANLGQPDEDDYDAIPKRAIQYGAEGARLIDCRAQLVAEGIAALQCGAFHISTAGVTYFNTTPIGRAVTGTMLVAAMKEDGVNIWGDGSTYKGNDIERFYRYGLLVNPDLKIYKPWLDQQFIDELGGRAEMSEFMRQAGFEYKMSAEKAYSTDSNLLGATHEAKDLESLESGIKIVNPIMGVAFWRDDVKIDKEEVTIRFEEGRPVALNGVEYKDAVALLLEANRIGGRHGLGMSDQIENRIIEAKSRGIYEAPGLALLYIAYERLVTGIHNEDTIEQY...
0
14,441
80,847
UN
80,847
Q6YSY5
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
MPVLPWLAAAATTPVRRSPPLPATPRALLRLPASSFPPWSNCAKSGLPPRGPFATAADTPLGGSLPEPEEERDTLLDGALRAARFRDEESRRPDPLFIDPYAAVLLSLDVASEDKDLLALHLMPSAEHYRLVTRYIDDKLQHFISNSDDLRQIVLLTDGMDTRPYRLSWPRLSVVYDVSPRRVFITASQQLRGAGAKISRNCVVLHTSSESPDLQAGLNKNGFNGNRPSLWVLQGLPLFTFKSLEDLLLVIGNLAMKGSIFIGEVPRFTQWGAATDMASEQDRLENLFFTQGFRVSFVHYEEVAKDVGLGLDSPPEIHGR...
0
14,442
80,207
UN
80,207
Q9SP06
NC(=[NH2+])NCCC[C@@H]1NC(=O)C(CC2=CC=C(O)C=C2)NC1=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>>NC(=[NH2+])NCCC[C@@H]1NC(=O)/C(=C/C2=CC=C(O)C=C2)NC1=O.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+]
null
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.N=C(N)NCCC[C@@H]1NC(=O)C(Cc2ccc(O)cc2)NC1=O.O=O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.N=C(N)NCCC[C@@H]1NC(=O)/C(=C/c2ccc(O)cc2)NC1=O.O.O
SLVAVVITTFLYLIFRDSSPKGLPPGPKPWPIVGNLLQLGEKPHSQFAQLAETYGDLFSLKLGSETVVVASTPLAASEILKTHDRVLSGRYVFQSFRVKEHVENSIVWSECNETWKKLRKVCRTELFTQKMIESQAEVRESKAMEMVEYLKKNVGNEVKIAEVVFGTLVNIFGNLIFSQNIFKLGDESSGSVEMKEHLWRMLELGNSTNPADYFPFLGKFDLFGQSKDVADCLQGIYSVWGAMLKERKIAKQHNNSKKNDFVEILLDSGLDDQQINALLMEIFGAGTETSASTIEWALSELTKNPQVTANMRLELLSVVG...
0
14,443
80,979
UN
80,979
P9WEX9
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
MSTSAPNTNELNSPVLETQPLAGDAALLHSSIADGYEEIIRAPFDYLLNLPGKDVRSKMISAFNQWLCIPADKLEVIKRIVMLLHNASLLIDDIQDSSKLRRGLPVSHHIFGVPQTINAANYAYFLAQQELPKLGDPKAFEIYTEELLSLHRGQGMDIYWREASKCPTEEEYFSMVSHKTGGLFRLAIRLMQLASDKNCDFVPLVNVLGVIFQIRDDYLNLQSHAYTVNKGFGEDLTEGKYSFPIIHSIRSDPTNIQLSSILKQRTTDVDVKLFAVECIKATGSFEHCKEKIAELVAEARQLIKEMGNSVPGSAEAVDRV...
0
14,444
51,008
UN
51,008
Q4R4P4
[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]
MAPAPPPAASFSPSEVQRRLAAGACWVRRGARLYDLSSFVRHHPGGEQLLRARAGQDISADLDGPPHRHSANARRWLEQYYVGELRGEQQGSMENEAVALEETQKTDPAMEPRFKVVDWDKDLVDWQKPLLWQVGHLGEKYDEWVHQPVTRPIRLFHSDLIEGLSKTVWYSVPIIWVPLVLYLSWSYYRTFAQGNVRLFTSFTTEYALAVPKSMFPGLFMLGIFLWSLIEYLIHRFLFHMKPPSDSYYLIMLHFVMHGQHHKAPFDGSRLVFPPVPASLVIGVFYLCLQLILPEAVGGTVFAGGLLGYVLYDMTHYYLHF...
0
14,445
81,531
UN
81,531
Q9FYC4
CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](O)[C@H]1O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.[H+]
null
CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](O)[C@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>CCC/C=C/C=C/C=C(\C)[C@@H]1OC[C@H](C)[C@H](OC)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MSTSFTMIGGEGPNSYREHSKYQGALVIAAKEKINEAISTKLDIDFTSNLVNIADFGCSSGPNTFTAVQTLIDAVENKYKKESNIEGIEFQVFFNDSSNNDFNTLFKTLPPARLYFASGVPGSFFGRVLPKNSLHVGVSSYSLHFVSKVPKEIKDRDSLVWNKDIHCSGSSKEVVKLYLGQYKIDVGSFLTARAQELVSGGLLLLLGSCRPTGVQMFETVEGMMIDFIGSSLNEIANQGLIDQQKLDTFKLPIYAPNVDELKQIIEDNKCFTIEAFEKISHAKGEYPLDPEYLTSAFKVTVGGSVASLFGQDGMEKTYEL...
0
14,446
56,304
UN
56,304
Q18FU7
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...
MTVIGIDDTDSRNRGMCTTYLATRIATAIEHAGGTVERRLLIRLNPAVEHKTRGNAAIALHTDIDPTDAVEISTQFIDSLAISDDPNTSPGVVITDTCTPHSVADSVIDFCWDAIREFHTIADTVDLIEQVGYHHQGWDGGRGRIGALAAVGAWAALTEWTIEHIAYRQFNRCGTDRDVDEKSVFEAAKRQYPAVWDTVDREEDDAVCVPNAPGPILYGIRGDDVAAVKTVAAEIDSEPVERSSTFITNQGTDIHLRPGTIGSLRDNRAYRVTGTVITDPETRPGGHVFVTLGKRETTEEDHIEETSSKESAVLTDTHHL...
0
14,447
51,008
UN
51,008
Q99UW8
[Fe+3].[Fe+3].CO>>[Fe+2].[Fe+2].[H]C([H])=O.[H+].[H+]
1.1.2.7
CO.[Fe+3].[Fe+3]>>C=O.[Fe+2].[Fe+2]
MIDKNQTCGVGQDSVPYMICLIHILEEWFGVEQLEDYLNFANYLLWVFTPLILLILPYFTIFLLYLTIIFLHIYKRKNVLKEAYSHNLWDGARKTVATLWDGHAAVWHGYEVHGMEKIPEDGPALIIFYHGAIPIDFYYFMAKIFIHKGRTCRVVADHFVFKIPGFSLLLDVFCALHGPREKCVEILRSGHLLAISPGGVREALISDETYNIVWGHRRGFAQVAIDAKVPIIPMFTQNIREGFRSLGGTRLFRWLYEKFRYPFAPMYGGFPVKLRTYLGDPIPYDPQITAEELAEKTKNAVQALIDKHQRIPGNIMSALL...
0
14,448
80,947
UN
80,947
P9WM66
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.[NH3+]CC(=O)[O-]>>[1*][C@@H](O)CC(=O)NCC(=O)[O-].*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[H+]
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@@H](*)O)C(*)=O.NCC(=O)O>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCS)C(*)=O.[1*][C@@H](O)CC(=O)NCC(=O)O
MSHTDLTPCTRVLASSGTVPIAEELLARVLEPYSCKGCRYLIDAQYSATEDSVLAYGNFTIGESAYIRSTGHFNAVELILCFNQLAYSAFAPAVLNEEIRVLRGWSIDDYCQHQLSSMLIRKASSRFRKPLNPQKFSARLLCRDLQVIERTWRYLKVPCVIEFWDENGGAASGEIELAALNIP
0
14,449
54,828
UN
54,828
Q9EQ76
C[NH2+]C.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+]>>C[NH3+].[H]C([H])=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...
1.14.13.238
CNC.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>>C=O.CN.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
MKRKVAVIGAGVSGLAAIRSCLEEGLEPTCFERSDDVGGLWKFSDHTEEGRASIYQSVFTNSSKEMMCFPDFPYPDDFPNFMHNSKLQEYITSFATEKNLLKYIQFETLVTRINKCPDFSTTGKWEVTTEKNSKKETAVFDAVMICSGHHVYPHLPKDSFPGLNRFKGKCFHSRDYKEPGTWKGKRVLVIGLGNSGCDIAAELSHVAQQVIISSRSGSWVMSRVWNDGYPWDMVVITRFQTFLKNNLPTAISDWWYMKQMNARFKHENYGLMPLNGTLRKEPVFNDELPARILCGTVSIKPNVKEFTETSAVFEDGTVFE...
0
14,450
76,519
UN
76,519
A0A0H3JX98
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.[H]O[H]>>*N[C@@H](CCCC[NH3+])C(*)=O.O=C([O-])CCCC[C@@H]1CCSS1
3.5.1.138
*N[C@@H](CCCCNC(=O)CCCC[C@@H]1CCSS1)C(*)=O.O>>*N[C@@H](CCCCN)C(*)=O.O=C(O)CCCC[C@@H]1CCSS1
MYLIEPIRNGEYITDGAIALAMQVYVNQHIFLDEDILFPYYCDPKVEIGRFQNTAIEVNQDYIDKHSIQVVRRDTGGGAVYVDKGAVNMCCILEQDTSIYGDFQRFYQPAIKALHTLGATDVIQSGRNDLTLNGKKVSGAAMTLMNNRIYGGYSLLLDVNYEAMDKVLKPNRKKIASKGIKSVRARVGHLREALDEKYRDITIEEFKNLMVTQILGIDDIKEAKRYELTDADWEAIDELADKKYKNWDWNYGKSPKYEYNRSERLSSGTVDITISVEQNRIADCRIYGDFFGQGDIKDVEEALQGTKMTREDLMHQLKQL...
0
14,451
80,847
UN
80,847
P10950
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
MCSQEGEGYSLLKEYANGFMVSQVLFAACELGVFELLAEALEPLDSAAVSSHLGSSPQGTELLLNTCVSLKLLQADVRGGKAVYANTELASTYLVRGSPRSQRDMLLYAGRTAYVCWRHLAEAVREGRNQYLKAFGIPSEELFSAIYRSEDERLQFMQGLQDVWRLEGATVLAAFDLSPFPLICDLGGGSGALAKACVSLYPGCRAIVFDIPGVVQIAKRHFSASEDERISFHEGDFFKDALPEADLYILARVLHDWTDAKCSHLLQRVYRACRTGGGILVIESLLDTDGRGPLTTLLYSLNMLVQTEGRERTPAEYRAL...
0
14,452
46,788
UN
46,788
P22337
*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
1.14.19.36
*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC)OC(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*OC[C@@H](COC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC)OC(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MALKLNPFLSQTQKLPSFALPPMASTRSPKFYMASTLKSGSKEVENLKKPFMPPREVHVQVTHSMPPQKIEIFKSLDNWAEENILVHLKPVEKCWQPQDFLPDPASDGFDEQVRELRERAKEIPDDYFVVLVGDMITEEALPTYQTMLNTLDGVRDETGASPTSWAIWTRAWTAEENRHGDLLNKYLYLSGRVDMRQIEKTIQYLIGSGMDPRTENSPYLGFIYTSFQERATFISHGNTARQAKEHGDIKLAQICGTIAADEKRHETAYTKIVEKLFEIDPDGTVLAFADMMRKKISMPAHLMYDGRDDNLFDHFSAVAQ...
0
14,453
76,679
UN
76,679
A7ZAI1
[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...
MAEIRKLKNYINGEWVESKTDQYEDVINPATKEVMCQVPISTREDVEYAVRSASEAFQTWSKTAVPRRARILFNYQQLLQQNKEELARLITLENGKNTTEALGEVGRGIENVEFAAGAPSLMMGDSLASIATDVEAANYRYPIGVVGGIAPFNFPMMVPCWMFPMAISLGNTFILKPSERTPLLTEKLAELFEQAGLPKGVFNVVHGAHDVVNGVLEHPDIKAISFVGSKPVGEYVFKKGSEHLKRVQALTGAKNHTIVLNDAHLEDTVTNIIGAAFGSAGERCMACAVVTVEEGIADEFMAKLQEKAADIKIGNGLDDG...
0
14,454
50,812
UN
50,812
O46515
[H][C@@]12CCC3=CC(=O)CC[C@]3(C)[C@@]1([H])CC[C@]1(C)C(=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(=O)CC[C@@]21[H].S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
1.14.15.19
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C[C@@]12C(=CC(=O)C[C@@H]1O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MLVRGLPLRSVLVKGCQPLLSAPREGPGHPRVPTGEGAGMSSHSPRPFKEIPSPGDNGWINLYHFWREKGPKKLHYHHFQNFQKYGPIYREKLGNVESVYIVDPEDVALLFKFEGPHPERFLIPPWTAYHQYFQKPVGVLFKSSDAWKKDRLALNPEVMALESIKNFIPLLDPVSQDFVSLLHRRMEQQGSGKFSGPIIEDLFRFAFESITNVIFGERQGMLDEIVDPEAQRFIDAVYKMFHTSVPMLSLPPDLFRLFRTKTWRDHVAAWDTVFSKAEQYTEKFYQDLKQKRHFDSYPGIFYRLLASNKLPFKDIQANVT...
0
14,455
79,651
UN
79,651
Q54JD9
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
MLSRNLKTLVKNKNILYFTTSTSKSNKIYENAKEAVKDIPNGSKLLVGGFGLCGIPENLISAVRDTGVKDLTVVSNNAGVDDFGLGVLLKSRQIKRMISSYVGENATFESQYLKGELEVELTPQGNLAERLRAGGAGIPAFYTSTGVGTVLVEEGGFPIKYANDGSGKVEIKSEPRPTQLYNGRKYCLEESITGDYALIKAWKADTRGNLVFRNTARNFNPPMATAAKITIAEVEEIVDAGEIKPDEVHVPGIYIQRIVKGPSFEKRIERLTVQKEKTGEAAAKPKDEAAAKRERIVRRAALEFEDGMYCNLGIGMPTLA...
0
14,456
79,531
UN
79,531
Q87Q30
O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]2O)C=C1.[H+]>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)C=C1.O=P([O-])([O-])OP(=O)([O-])O
null
Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1.O=C(CO)[C@@H](O)[C@H](O)[C@H](O)COP(=O)(O)O>>Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO)[C@@H](O)[C@H]2O)c(=O)n1.O=P(O)(O)OP(=O)(O)O
MNVALIFAGGVGTRMQNSTKPKQFLELYNKPVIIYTLEKFEENKNIDAIVVVCVEPWIDYLRKLLFKFDIQKVKFVIPGGETGQESIFNGLCKIEEEFDHNSVVLIHDGVRPLINDEIINRNIEAVKSHGSAITTCPPVETFVLVDNEDVVKDVHDRSLSRLAKAPQSFYLRDILKVHRQAREDCYTEAIDSCSLMTKYGYDVRLVSGISENIKITSPIDFFIFKAIIDTQENLQVFG
0
14,457
69,272
UN
69,272
P9WKZ1
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
MTDLITVKKLGSRIGAQIDGVRLGGDLDPAAVNEIRAALLAHKVVFFRGQHQLDDAEQLAFAGLLGTPIGHPAAIALADDAPIITPINSEFGKANRWHTDVTFAANYPAASVLRAVSLPSYGGSTLWANTAAAYAELPEPLKCLTENLWALHTNRYDYVTTKPLTAAQRAFRQVFEKPDFRTEHPVVRVHPETGERTLLAGDFVRSFVGLDSHESRVLFEVLQRRITMPENTIRWNWAPGDVAIWDNRATQHRAIDDYDDQHRLMHRVTLMGDVPVDVYGQASRVISGAPMEIAG
0
14,458
78,491
UN
78,491
A4XD40
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.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>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])CCCNO)[C@@H](O)[C@H]2O)C=C1.NC(=O)C1=CC=...
null
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.NCCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.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@...
MNRRRERVVVVGAGLAGSLVALYLARQGHEVDVFERRPDPRSALGRPEGRSINLGLSARGMRALDGVGLLADVLKHSVPMRDRVVHSPDGGIRTQPYGVREHEILHSVLREELISLVVTAAEAEPGVRFHFDSLLASLDRETGTVDVAPTAGGETRTVTADLIVGADGAFSTIRQQMQHGLRANYAQEFLPWGYKELTIPVDADGQPRVRLEALHVWPGHEAMMIAHPNRDGSLTCTLFMAHEGPVSFAALDTPTAVRDFFRQRFPDAEELMPDLVREVTEHPVGHLVTVRSDPWRYADRVVLIGDAAHAVYPFYGQGMN...
0
14,459
79,295
UN
79,295
Q2FE74
[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
14,460
69,336
UN
69,336
Q41233
*/C=C/SO>>*C/C=[S+]\[O-]
5.3.99.12
*/C=C/SO>>*C/C=[S+]\[O-]
MICLVILTCIIMSNSFVNNNNMVQAKMTWTMKAAEEAEAVANINCSEHGRAFLDGIISEGSPKCECNTCYTGPDCSEKIQGCSADVASGDGLFLEEYWKQHKEASAVLVSPWHRMSYFFNPVSNFISFELEKTIKELHEVVGNAAAKDRYIVFGVGVTQLIHGLVISLSPNMTATPDAPESKVVAHAPFYPVFREQTKYFDKKGYVWAGNAANYVNVSNPEQYIEMVTSPNNPEGLLRHAVIKGCKSIYDMVYYWPHYTPIKYKADEDILLFTMSKFTGHSGSRFGWALIKDESVYNNLLNYMTKNTEGTPRETQLRSLK...
0
14,461
80,223
UN
80,223
A0A0B4L1W8
[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...
MELLFVSLLSLFLLILLPLSLLFLFPSSFSTTTTEANKNSANLPPGLTGWPVVGESFQFLAAGWRGNPEKFIFDRIAKYSSYVYKTNLMLERTAVFCGAPAHKFLFSNENKLVQSWWPSSVNKIFPSSNQTSSKEEAMKMRKMLPNFFKPEALQGYIGIMDTIAQRHFAADWDNKDYIVVFPLCKRYTFWLACKIFMSIEDPKDVDRFLARFNLVAEGLLSIPIDLPGTPFHHSIKAAEFIREHLVAIIKQRKIDLAEGKASPTQDIMSYMLLTPDEDGKFMKEYDIADKILGLLVGGHDTASSACAFIVKYLAELPQVY...
0
14,462
80,299
UN
80,299
K4GHS2
[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@]34C[C@]3(CC[C@@]4([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[C@]34C[C@]23CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3C[C@@H](O)[C@]24C)C(O)O1
MVSEITHKSYPLHFVLFPFMAQGHMIPMVDIARLLAQRGVKITIVTTPHNAARFENVLNRAIESGLPISIVQVKLPSQEAGLPEGNETFDSLVSMELLVPFFKSVNMLEEPVQKLFEEMSPQPSCIISDFCLPYTSKIAKKFNIPKILFHGMCCFCLLCMHVLRKNHEIVENLKSDKEHFVVPYFPDRVEFTRPQVPVATYVPGDWHEITGDMVEADKTSYGVIVNTCQELEPAYANDYKEARSGKAWTIGPVSLCNKVGADKAERGNKADIDQDECLKWLNSKEEGSVLYVCLGSICNLPLSQLKELGLGLEESQRPFI...
0
14,463
56,352
UN
56,352
P15245
[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
MTKYSESYCDVLIVGAGPAGLMAARVLSEYVRQKPDLKVRIIDKRSTKVYNGQADGLQCRTLESLKNLGLADKILSEANDMSTIALYNPDENGHIRRTDRIPDTLPGISRYHQVVLHQGRIERHILDSIAEISDTRIKVERPLIPEKMEIDSSKAEDPEAYPVTMTLRYMSDHESTPLQFGHKTENSLFHSNLQTQEEEDANYRLPEGKEAGEIETVHCKYVIGCDGGHSWVRRTLGFEMIGEQTDYIWGVLDAVPASNFPDIRSPCAIHSAESGSIMIIPRENNLVRFYVQLQARAEKGGRVDRTKFTPEVVIANAKKI...
0
14,464
70,803
UN
70,803
P51010
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=C[C@H](O)[C@H](O)CS(=O)(=O)[O-].O=C(CO)[C@@H](O)[C@H](O)COP(=O)([O-])[O-]
2.2.1.15
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(CO)[C@@H](O)[C@H](O)COP(=O)(O)O.O=C[C@H](O)[C@H](O)CS(=O)(=O)O
MSSRTSDSVTSHDRLANAIRFLAIDAVEAANSGHPGLPMGAADIATVLFTKVLKYDPSRPFWPDRDRFVLSAGHGSMLLYSVLHLAGYEKVTIDEIKRFRQLGSLTPGHPENFVTEGIETTTGPLGQGIATAVGMAMAERLLAARFGSDVVDHYTYALASDGDLMEGISQEAADLAGHLKLSKLIVMWDDNKISIDGPTSISGSTNQLARFAASGWATAAVDGHDPEAILAALEAAKASDRPTLIACRTTIGFGSPKKAGSEKVHGSPLGAEEIVATRAALGWEAPAFVVPEDALNGWRAAGAAGRAAREAWEARFAARP...
0
14,465
78,415
UN
78,415
O74865
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
MSETGIIPKSTDYTDWPADVCKYSQVFEDVLVVGTYMLDESTKLRHGKLVLYDTKEDVLKRVFDMHCDAILDFKWSPHDASVLAVAHSTGHVSFYRHQFRAELMFLRGIKVADSSVLMLSLDFSDSGKELAVSMSNGSVLIIDIDSGVIKNKWKEHDYEAWTCHYSRQDNNLLYSGGDDAALVCYDQRIPNSCIWRDIQVHHSGVVSILSRAPFGPYIATGEYGDFMHTLDTRNIGKPLFSANLGGGVWRLEHMETTENYHKVLGILMHRGAQVLRISNDFSSIDASKRIFKEHESMCYGGDWRHTDGLLATCSFYDKRV...
0
14,466
80,263
UN
80,263
Q6HCP7
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...
MDKKKVVLAYSGGLDTSVAIKWLQEKNYDIIALCLDLGEGKDLAFVKEKALSVGAIKSYMIDVQEEFANEYALMAMQAHTLYEGKYPLVSALSRPLIAKKLVEIAEQEGATAVAHGCTGKGNDQVRFEVSIQALNPYLEVIAPVREWKWSREEEIAYAKENNVPIPINLDSPFSIDQNLWGRSNECGILEDPWAAPPEDAYEMTLALEDTPNKPEFVEIGFEAGVPTTLNGTAYPLSELIKTLNALAGKHGVGRIDHVENRLVGIKSREVYECPAAMTLITAHKELEDLTLVKEVAHFKPMIEQKITELIYNGLWFSPLK...
0
14,467
75,907
UN
75,907
D2TV87
[H][C@]1([C@@H](O)CO)O[C@@H](OP(=O)([O-])OP(=O)([O-])OC[C@H]2O[C@@H](N3C=NC4=C(N)N=CN=C43)[C@H](O)[C@@H]2O)[C@@H](O)[C@@H](O)[C@@H]1O.*N[C@@H](CO)C(*)=O>>*N[C@@H](CO[C@H]1O[C@]([H])([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@H](O)[C@H]1O.[H+]
null
*N[C@@H](CO)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O[C@@H]2O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O>>*N[C@@H](CO[C@H]1O[C@H]([C@@H](O)CO)[C@@H](O)[C@H](O)[C@@H]1O)C(*)=O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
MQKSLATFFISPPEIPTQHGPDNILYDFNDGARVLLPEGKWHVRLLDADSGNILFCCDINNGWVTSSKKYFVRFRIQVFRQGEDSPLLDETLNLTDRDVLISFPTGTLGDLLGWFPYAERFQSLHQCRLECTMAQDIIDLLAPQYPQICFSTPEKPRTTEPYATYRVGLYFGGDTNNQPVDFRQVGFHRSAGYILGVDPREAPVRLNLSAPCTIREPYVCIATQSTCQAKYWNNGTGWSEVVAHLKSLGYRVLCIDREAHYGQGFVWNHIPWGAEDFTGSFPLQERVNLLRHASFFIGLASGLSWLAWATGIPVVLISGF...
1
14,468
75,003
UN
75,003
Q8K0L3
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)...
MHHLWKIPRLFTLWGNEISCRTFHMNIKKLIPIQWGHQEAPAKFNFASDVIDHWASVEKAGKRSSGPALWWMNGSGKEIKWSFRELSEASKQTANVLSGACGLHRGDRVAVVLPRIPEWWLMILGCMRTGLVFMPGTIQMRSSDILYRLQASKARAIVAGDEVAQEVDAVAPDCSFLKIKLLVSENSREGWLNFKALLKEASTIHQCVETESRESAAIYFTSGTSGPPKMAEHSHCSLGIKAKMDAASWTGLSTSDIIWTISDTAWIMNILGAFLEPWVLGACIFVHLLPKFDSQTVLKVLSSYPINTLVGAPIIYRMLL...
0
14,469
80,979
UN
80,979
Q758K0
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
MDSVEGLALGPVIWTASQEELLRQPYNHLVTQPGKNFRNTLIRVFNGFYGLSERQVAAVTELVEMLHVASLLIDDIEDNSAWRRGVAAAHVVYGSPMTINTANYMYFVSMSLLGQLAAQRPAGPLQDLLKVFNEEMMNLHRGQGLDIYWRDTFTVPSEHDYLRMVMHKTGGLFRLTVRIMEALREGPDGPGSTLVPLSNLLGVLYQVRDDYLNLTDSRMSENKGFADDITEGKFSYPIIHGLQYARVHDPAGYDFLVSVLRQRTTDITTKRRVVRYLADVSGSLAYTKQRIIELATLIKTKYIPASGTELCNVIDSLTSF
0
14,470
12,885
UN
12,885
O67214
*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...
MNVGIFSRWNATCGVSLHAEMIGRELLRRGYPITVFAPYLESASRWWHHKLIRPDEEYVVRCYEELSPDGKEGKIDIEKVLEREIDFLIVESYEKLPYKDVEKLVKILKDKGIPSIAIIHEGDYEDIRYTDMNIFEKVCVFDERYVKEVLKDRVSEEKVEIIPYPCYPVREGSREFAEDGVIKFFSFGRQPKEEYCPYIEGLKVFKRDFPNVKYRIVRAMEPLKIFEDFVEQEERILDYEEIVKELHSADFHLLPKGNTKRVVVSSTLYQVLGTLTLTVVPDNRFFETLPHGEEAPVIFYRDVLELVKELKKASADEEYR...
0
14,471
81,103
UN
81,103
Q92236
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC=C(C)[C@H](COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=CC[C@H]2C(C)(C)CCC[C@]2(C)[C@H]1COP(=O)(O)OP(=O)(O)O
MIPTADPILSFNPEALPPSALHMLSLSPKAMEKMSGISNPLVSPNAIPPRTSSTGIPTSLNATPTKPVLRPVPEGDWLSQKQLSPRAQMSNAGYGVMQAPNPPPDPERYAHEDLEFTAKRSWTDEKENVVRGPYDYVISHPGKDFRAQLIGAFNVWLDVPTSSLEVITRVVGMLHESSLLIDDVQDSSELRRGFPVAHNIFGVAQTINSGNYIYFVALQELHKLNNPELITIFSDELVNLHRGQGMDLFWCDTLTCPTEEDYLEMVGNKTGGLFRLGIKLMAAEANGPSPTDCVPLVNLIGLIFQIRDDYMNLSSKEYSH...
0
14,472
79,315
UN
79,315
Q0TFS8
[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)...
MEKRKIILDCDPGHDDAIAIMMAAKHPAIDLLGITIVAGNQTLDKTLINGLNVCQKLEINVPVYAGMPQPIMRQQIVADNIHGETGLDGPVFEPLTRQAENTHAVKYIIDTLMASDGDITLVPVGPLSNIAVAMRMQPAILPKIREIVLMGGAYGTGNFTPSAEFNIFADPEAARVVFTSGVPLVMMGLDLTNQTVCTPDVIARMERAGGPAGELFSDIMNFTLKTQFENYGLAGGPVHDATCIGYLINPDGIKTQEMYVEVDVNSGPCYGRTVCDELGVLGKPANTKVGITIDTDWFWGLVEECVRGYIKTH
0
14,473
56,376
UN
56,376
Q84BZ3
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
MEQTASPVVFAARDDASDVHFPHDDGSRVPYKVFSSRAVYDREQERIFRGPTWNFVALEAEIPNAGDFKSTFVGDTPVVVTRTEDGALSAWVNRCAHRGAQVCRKSRGNASSHTCVYHQWSFDNEGNLLGVPFRRGQKGMTGMPADFDPKQHGLRKLRVDSYRGLVFATFSDDVAPLPDYLGAQMRPWIDRIFHKPIEYLGCTRQYSKSNWKLYMENVKDPYHASMLHLFHTTFNIFRVGMKARSIPDANHGLHSIITVTKTGDDTSAAYKQQNIRSFDEGFHLEDESILDLVSEYDEDCTNHIQPIFPQLVIQQIHNTL...
0
14,474
80,235
UN
80,235
P20815
[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...
MDLIPNLAVETWLLLAVSLVLLYLYGTRTHGLFKRLGIPGPTPLPLLGNVLSYRQGLWKFDTECYKKYGKMWGTYEGQLPVLAITDPDVIRTVLVKECYSVFTNRRSLGPVGFMKSAISLAEDEEWKRIRSLLSPTFTSGKLKEMFPIIAQYGDVLVRNLRREAEKGKPVTLKDIFGAYSMDVITGTSFGVNIDSLNNPQDPFVESTKKFLKFGFLDPLFLSIILFPFLTPVFEALNVSLFPKDTINFLSKSVNRMKKSRLNDKQKHRLDFLQLMIDSQNSKETESHKALSDLELAAQSIIFIFAGYETTSSVLSFTLYE...
0
14,475
77,651
UN
77,651
Q8NWR6
C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)[O-])C(=O)OC1=O.[H+]>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2CCCCC/C=C/C)C(=O)OC3=O.O=C=O
null
C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O.C/C=C/CCCCC/C=C/C1=C(CC(=O)O)C(=O)OC1=O>>C/C=C/CCCCC[C@@H]1[C@@H](CCCCC/C=C/C)C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@@H]13.O=C=O
MTNERKEVSEAPVNFGANLGLMLDLYDDFLQDPSSVPEDLQVLFSIIKNDDSIVPALKSTSSQNSDGTIKRVMRLIDNIRQYGHLKADIYPVNPPKRKHVPKLEIEDFDLDQQTLEGISAGIVSDHFADIYDNAYEAILRMEKRYKGPIAFEYTHINNNTERGWLKRRIETPYKVTLNNNEKRALFKQLAYVEGFEKYLHKNFVGAKRFSIEGVDALVPMLQRTITIAAKEGIKNIQIGMAHRGRLNVLTHVLEKPYEMMISEFMHTDPMKFLPEDGSLQLTAGWTGDVKYHLGGIKTTDSYGTMQRIALANNPSHLEIV...
0
14,476
78,983
UN
78,983
Q41594
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CC[C@H](C)[C@@]13CCC(C)=C3C[C@@]1(C)CCC(C)(C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
4.2.3.224
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C2C[C@@]3(C)CCC(C)(C)[C@H]3[C@@H]3CC[C@H](C)[C@]23CC1.O=P(O)(O)OP(=O)(O)O
MAQLSFNAALKMNALGNKAIHDPTNCRAKSERQMMWVCSRSGRTRVKMSRGSGGPGPVVMMSSSTGTSKVVSETSSTIVDDIPRLSANYHGDLWHHNVIQTLETPFRESSTYQERADELVVKIKDMFNALGDGDISPSAYDTAWVARLATISSDGSEKPRFPQALNWVFNNQLQDGSWGIESHFSLCDRLLNTTNSVIALSVWKTGHSQVQQGAEFIAENLRLLNEEDELSPDFQIIFPALLQKAKALGINLPYDLPFIKYLSTTREARLTDVSAAADNIPANMLNALEGLEEVIDWNKIMRFQSKDGSFLSSPASTACV...
0
14,477
22,464
UN
22,464
P47195
[NH3+][C@@H](CC1=CC=C(O)C=C1)C(=O)[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>O=C([O-])[C@H](CC1=CC=C(O)C=C1)NO.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H+].[H+]
null
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.N[C@@H](Cc1ccc(O)cc1)C(=O)O.O=O>>Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O=C(O)[C@H](Cc1ccc(O)cc1)NO
MDYIVGFVSISLVALLYFLLFKPKHTNLPPSPPAWPIVGHLPDLISKNSPPFLDYMSNIAQKYGPLIHLKFGLHSSIFASTKEAAMEVLQTNDKVLSGRQPLPCFRIKPHIDYSILWSDSNSYWKKGRKILHTEIFSQKMLQAQEKNRERVAGNLVNFIMTKVGDVVELRSWLFGCALNVLGHVVFSKDVFEYSDQSDEVGMDKLIHGMLMTGGDFDVASYFPVLARFDLHGLKRKMDEQFKLLIKIWEGEVLARRANRNPEPKDMLDVLIANDFNEHQINAMFMETFGPGSDTNSNIIEWALAQLIKNPDKLAKLREEL...
0
14,478
81,171
UN
81,171
Q17427
CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](OC(C)=O)[C@@H](O)[C@H](O)[C@H]([NH3+])C(=O)[O-].CC(C)(COP(=O)([O-])OP(=O)([O-])OC[C...
null
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.CCCCCC[C@@H](O)CCCCCC/C=C/[C@H](O)[C@@H](O)[C@H](O)[C@H](N)C(=O)O>>CC(C)(COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS.CCCCCC[C@@H](O)CCCCCC/C=C/...
MSHIFDASVLAPHIPSNLPDNFKVRPLAKDDFSKGYVDLLSQLTSVGNLDQEAFEKRFEAMRTSVPNYHIVVIEDSNSQKVVASASLVVEMKFIHGAGSRGRVEDVVVDTEMRRQKLGAVLLKTLVSLGKSLGVYKISLECVPELLPFYSQFGFQDDCNFMTQRF
0
14,479
80,087
UN
80,087
O33819
[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...
MSPKLPQHGTVGVRTPLVDGVEKVTGKAKYTADIAAPDALVGRILRSPHAHARILAIDTSAAEALEGVIAVCTGAETPVPFGVLPIAENEYPLARDKVRYRGDPVAAVAAIDEVTAEKALALIKVDYEVLPAYMTPKAAMKAGAIALHDDKPNNILREVHAEFGDVAAAFAEADLIREKTYTFAEVNHVHMELNATLAEYDPVRDMLTLNTTTQVPYYVHLKVAACLQMDSARIRVIKPFLGGGFGARTEGLHFEIIAGLLARKAKGTVRLLQTREETFIAHRGRPWTEVKMKIGLKKDGKIAALALEATQAGGAYAGYG...
0
14,481
76,447
UN
76,447
B7NSH3
[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
MIPDVSQALAWLEKHPQALKGIQRGLERETLRVNADGTLATTGHPEALGSALTHKWITTDFAEALLEFITPVDGDIEHMLTFMRDLHRYTARNMGDERMWPLSMPCYIAEGQDIELAQYGTSNTGRFKTLYREGLKNRYGALMQTISGVHYNFSLPMAFWQAKCGDIAGADAKEKISAGYFRVIRNYYRFGWVIPYLFGASPAICSSFLQGKPTSLPFEKTECGMYYLPYATSLRLSDLGYTNKSQSNLGITFNDLYEYVAGLKQAIKTPSEEYAKIGIEKDGKRLQINSNVLQIENELYAPIRPKRVTRSGESPSDALL...
0
14,482
81,375
UN
81,375
C0HKG6
*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
MAPAEARGALPGWISVLGWGLALCSLCGAGPLWSGSHEWKKLILTQHWPPTVCKEVNSCQDSLDYWTIHGLWPDRAEDCNQSWHFNLDEIKDLLRDMKIYWPDVIHRSSNRSQFWKHEWVKHGTCAAQVDALNSEKKYFGKSLDLYKQIDLNSVLQKFGIKPSINYYQLADFKDALTRIYGVVPKIQCLMPEQGESVQTVGQIELCFTKEDLHLRNCTEPGEQLSSRQEAWLAMEASTHGMMVCEDGPIFYPPPTKTQH
0
14,483
56,472
UN
56,472
Q48303
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C1=CC=CN1)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=C(Br)N1)C(*)=O.CC1=C...
null
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)c1ccc[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)c1ccc(Br)[nH]1)C(*)=O.Cc1cc2nc3c(=O)[nH]c(...
MARDPRFDILFTPLKLGSKTIRNRFYQVPHCNGAGTNSPGMNMAHRGIKAEGGWGAVNTEQCSIHPECDDTLRITARIWDQGDMRNLRAMVDHVHSHGSLAGCELFYGGPHAPAIESRTISRGPSQYNSEFATVPGCPGFTYNHEADIDELERLQQQYVDAALRARDTGFDLVNVYGAHAYGPMQWLNPYYNRRTDKYGGSFDNRARFWIETLEKIRRAVNDDVALVTRCATDTLYGTKGVELTEDGLRFIELASPYLDLWDVNIGDIAEWGEDAGPSRFYPIAHENDWIRHIKQATNKPVVGVGRYYDPEKMLQVIKAG...
0
14,484
77,179
UN
77,179
O49312
[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
MCNNNNTSCVNISSMLQPEDIFSRRCIWVNGPVIVGAGPSGLAVAADLKRQEVPFVILERANCIASLWQNRTYDRLKLHLPKQFCQLPNLPFPEDIPEYPTKYQFIEYLESYATHFDLRPKFNETVQSAKYDKRFGLWRVQTVLRSELLGYCEFEYICRWLVVATGENAEKVVPEFEGLEDFGGDVLHAGDYKSGERYRGKRVLVVGCGNSGMEVSLDLCNHDASPSMVVRSSVHVLPREVLGKSTFELSVTMMKWMPVWLVDKTLLVLTRLLLGNTDKYGLKRPEIGPLELKNTAGKTPVLDIGAISMIKSGKIKIVAG...
0
14,485
80,979
UN
80,979
A0A7J6HWR9
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12CCC(C)=C(COP(=O)([O-])OP(=O)([O-])[O-])[C@@]1(C)CCCC2(C)C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>CC1=C(COP(=O)(O)OP(=O)(O)O)[C@@]2(C)CCCC(C)(C)[C@@H]2CC1
MADLKAKFLNVYSVLKSELLQDPAFEFTDISRQWVERMTDYNVPGGKLNRGLSVIDSYKLLKGEELTEEEIFLASALGWCIEWLQAYFLVLDDIMDNSHTRRGQPCWYKVPKVGMIAANDGVLLRNHIFRILKNHFKDKPYYVDLLDLFNEVEFQTASGQMLDLISSEGENDLSKFSLSLHRRIVQYKTAYYSFYLSVACALLMSGENLEDHVDVKNILVQMGIYFQVQDDYLDCFVDPKILGKIGTDIEDFKCSWLVVKALELSNEEQKKILNENYGKADPEKVAKVKALYKELDLEGEFADYESKSYEKLITSIESHP...
0