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
202
78,655
UN
78,655
A0A3L6G2C1
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
MAPSNIVVQSSSTPPVAGGDEEFAPSVWGDFFVTYAPPVSQASEQRMSERAELLKAQVCQAFDAASMDVAGLVTYVDTLERLGLDNHFRDLIGAALERIGAEELPEHGGGLHIVALRFRLLRQHGIWVSTDVFDAFREDAGGFCSSLCSDDPRGLLSLYNAAHMAVPGEVVLDDAIAFARGRLLDIISKGEVRSPVSEQITRALDIPLPRFTRRLETMHYIAEYEHEEAHDGLLLELARLNFVLVRALHLRELKDLSLWWRELYNTVKLPYARDRMVEIYFWTCGMLHEEEYSLARMFFAKTFGMVSLMDDTFDVHATLD...
0
203
76,143
UN
76,143
W5U2K2
[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N[C@@]43O1)[C@@H]2C(=O)OC.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N(C)[C@@]43O1)[C@@H]2C(=O)OC.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[...
null
C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MEEKQEKVAEFYDKVTGAWDLFYGVHLHDGYYEPGTTATMAISQDAVIRMIDELLRFAGVSEDPAKKPRSMLDVGSGLGGTCVYVAKKYDIQCTGITISPNQVKYAQDYAATEGVENKVSFDCGDALDMPYSDGKFDVVFTINCIEHVHDKEKFIREMVRVAAPGAAIIIASQAHPNLSPGESLKPRDKKILQKICDGAGAVSLCSSDDYVRWLTPLPVKEIKAADWTQNITPLYPLLMKEAFTWKGFTSIVLKGGWRAINLINAVRLVAKAANDGILKFAVVTGRKSI
0
204
80,279
UN
80,279
Q9Y6A2
[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)CCC=C(C)C)CC[C@]3(C)/C1=C/C[C@@]1([H])C(C)(C)[C@@H](O)CC[C@]21C.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O.O=O>>[H][C@]12CC[C@@]3(C)[C@]([H])([C@@H](C)C[C@@H]...
null
CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]12C.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O.O=O>>C[C@@H](C[C@@H](O)[C@@H]1OC1(C)C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[...
MSPGLLLLGSAVLLAFGLCCTFVHRARSRYEHIPGPPRPSFLLGHLPCFWKKDEVGGRVLQDVFLDWAKKYGPVVRVNVFHKTSVIVTSPESVKKFLMSTKYNKDSKMYRALQTVFGERLFGQGLVSECNYERWHKQRRVIDLAFSRSSLVSLMETFNEKAEQLVEILEAKADGQTPVSMQDMLTYTAMDILAKAAFGMETSMLLGAQKPLSQAVKLMLEGITASRNTLAKFLPGKRKQLREVRESIRFLRQVGRDWVQRRREALKRGEEVPADILTQILKAEEGAQDDEGLLDNFVTFFIAGHETSANHLAFTVMELSR...
0
205
79,179
UN
79,179
P76458
O=C([O-])C1CCCCC1.CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-]>>CC(C)(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.CCCC(=O)[O-]
2.3.1.315
CCCC(=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)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.CCCC(=O)O
MKTKLMTLQDATGFFRDGMTIMVGGFMGIGTPSRLVEALLESGVRDLTLIANDTAFVDTGIGPLIVNGRVRKVIASHIGTNPETGRRMISGEMDVVLVPQGTLIEQIRCGGAGLGGFLTPTGVGTVVEEGKQTLTLDGKTWLLERPLRADLALIRAHRCDTLGNLTYQLSARNFNPLIALAADITLVEPDELVETGELQPDHIVTPGAVIDHIIVSQESK
0
206
77,231
UN
77,231
P77788
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
MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD
0
207
79,055
UN
79,055
Q55891
CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*.*.*>>C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3)N2)NC1=O.[H]*[H].[H]*[H].[H]*[H].[H]*[H]
null
CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MAVTDLSLTNSSLMPTLNPMIQQLALAIAASWQSLPLKPYQLPEDLGYVEGRLEGEKLVIENRCYQTPQFRKMHLELAKVGKGLDILHCVMFPEPLYGLPLFGCDIVAGPGGVSAAIADLSPTQSDRQLPAAYQKSLAELGQPEFEQQRELPPWGEIFSEYCLFIRPSNVTEEERFVQRVVDFLQIHCHQSIVAEPLSEAQTLEHRQGQIHYCQQQQKNDKTRRVLEKAFGEAWAERYMSQVLFDVIQ
0
208
56,356
UN
56,356
O23024
O=C([O-])C1=CC(Br)=C(O)C=C1.[Br-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O.[H+].[H+].[H+]>>OC1=C(Br)C=C(Br)C=C1.O=C=O.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](...
null
Br.NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=C(O)c1ccc(O)c(Br)c1.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.O.O.O=C=O.Oc1ccc(Br)cc1Br
MYGNNNKKSINITSMFQNLIPEGSDIFSRRCIWVNGPVIVGAGPSGLAVAAGLKREGVPFIILERANCIASLWQNRTYDRLKLHLPKQFCQLPNYPFPDEFPEYPTKFQFIQYLESYAANFDINPKFNETVQSAKYDETFGLWRVKTISNMGQLGSCEFEYICRWIVVATGENAEKVVPDFEGLEDFGGDVLHAGDYKSGGRYQGKKVLVVGCGNSGMEVSLDLYNHGANPSMVVRSAVHVLPREIFGKSTFELGVTMMKYMPVWLADKTILFLARIILGNTDKYGLKRPKIGPLELKNKEGKTPVLDIGALPKIRSGKI...
0
209
80,771
UN
80,771
D3KU67
[NH3+][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[NH2+][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
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CN[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
MHRGRSASARQERDFRALMDLAHGFMASQVLFAGCALRVFDAAALGPVDAAALARSSGLSPRGTRLLLDACAGLGLLRRRRGAGPRGPAYTNSPLASTFLVAGSPLSQRSLLLYLAGTTYLCWGHLADGVREGRSQYARAVGVDADDPFTAIYRSEAERLLFMRGLQETWSLCGGRVLAAFDLSPFRVICDLGGGSGALARMAARLYPGSEVTVFETPDVVAAARAHFPPPADEDGAEPRVRFLSGDFFRSPLPPADLYVLARVLHDWADAACVELLRRVRGALRPGGAVLLVESVLSPGGAGPTRTLLLSLTMLLQARG...
0
210
13,961
UN
13,961
Q9F716
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)...
MPVSSDCQILKEDNVTHSFCGLACVGWLYQKIKDSFFLILGTHTCAHFLQNALGMMIFAKPRFGVALIEEADLSRAEPQLEAVIEEIKRDHNPSVIFLLSSCTPEVMKVDFKGLAHHLSTDKTPVLFVPASGLVFNFTQAEDSVLQALVPFCPEAPAGEKKVVFVGSVNDITADDLRTEAEQLGIPVGGFLPESRFDKLPAIGPDTVLAPIQPYLSRVCSRLNRERGSQVLTSLFPFGPDGTKTFWEDLAAMFGIKVDLSDRAEAAWEKIKPQTDLLKGKKIFLTADTMMELPLARFLKNAGAEVVECSSAYINKKFHAR...
0
211
79,175
UN
79,175
O18778
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
MDRNRASARLTVLLRHLGCRSAGTIIAHHTSGVGSLASFHPQQFQYTRENNVLSLEQRKFYEENGFLVIKNLVSDADIQRFRNEFERICRKEVKPLGLSVMRDVTITKSEYVPSEKVVSKVQDFQEDEELFRYCTLPEILKYVECFTGPNIMAMHTMLINKPPDSGKKTSRHPLHQDLHYFPFRPSNSIVCAWTAMEHIDRNNGCLVVLPGTHKGPLQPHDYPQWEGGVNIMFHGIQDYDKNNARVHLVMEKGDTVFFHPLLIHGSGRNKSQGFRKAISCHFADANCHYIDVEGTSQENIEKEVVDIVRKKYGFKDVTLK...
0
212
65,784
UN
65,784
P21395
CN(C)C(=O)NC1=CC=C(Cl)C=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CN(C)C(=O)Nc1ccc(Cl)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MDTLRYYLIPVVTACGLIGFYYGGYWVWLGAATFPALMVLDVILPKDFSARKVSPFFADLTQYLQLPLMIGLYGLLVFGVENGRIELSEPLQVAGCILSLAWLSGVPTLPVSHELMHRRHWLPRKMAQLLAMFYGDPNRDIAHVNTHHLYLDTPLDSDTPYRGQTIYSFVISATVGSVKDAIKIEAETLRRKGQSPWNLSNKTYQYVALLLALPGLVSYLGGPALGLVTIASMIIAKGIVEGFNYFQHYGLVRDLDQPILLHHAWNHMGTIVRPLGCEITNHINHHIDGYTRFYELRPEKEAPQMPSLFVCFLLGLIPPL...
0
213
78,483
UN
78,483
O35033
[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
MLNNRNVLLCVSGGIAVYKACALTSKLVQAGANVKVIMTESACRFVSPLTFQALSRHEVYTDTFKEQNPSVISHIDAADWADLIIVAPATANVIGKLANGIADDMLTTTLLAATAPVWIAPAMNVHMYDHPAVKRNISVLYQDGYCFIEPSEGYLACGYVGKGRLEEPENIVKLAEKHFAEETSAPLEGKHVVITAGPTREAIDPVRFFTNKSTGKMGYALAEAAVQLGARVILISGPVSLDQPKGLAEFIPVQSAADMREAVLSVYDASDIVIKTAAVADFTPKTVFDHKMKKQDGGMTLELKRTVDILKELGEKKKEQ...
0
214
76,583
UN
76,583
Q9V0N0
CC1(C)CC[C@@H](C(=O)[O-])N=C1C(=O)[O-].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](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=CN=C5N)[C@H](O)[...
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](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](O)[C@@H]3O)[C@@H](O)[C@H]2O)c1
MKIYILGAGAIGSLFGGLLANAGEDVLLIGRDPHVSAINEKGLKIVGIKDLNVKVEATTRVPEEKPDLIVLATKSYSTIEALKSARHIVKGSWVLSIQNGIGNEDKIIEFGGKAIGGITTNGAMVEAPGVIKWTGKGVTIIGLYPQGKEKFIEKVADVFNSADIETHVSENIISWIWAKAIVNSAINPIGTLLEVKNKVIRENDFLLSMAMEVVKEGCRVALQNGIEFDVPPMDLFFQTLEQTRENYNSMLQDIWRGKKTEVDYINGKIVEYAKAVNLEAPMNLLLWGLIKGKEALEGKK
0
215
56,304
UN
56,304
A1RXS9
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...
MGLTSVHVGLDDTDSPLGLCTTFVALAIVREASRIGAGFADLPYLVRLNPNVPLKTRGNGAVAIHFLVEEELVPRVEEAVVRALDDLSERHGKTDPAAILVKGDVPRAFRSVYLRALTEFIPSSYVRSVLERFKGESVKLLYSRSKRPRGLVGAVASLGAYPLEDYTYELIVYRSPEERSESRDISEDLLLELDRKYRPLVFATYDYSSRRVLAVPHGPDPVIFGLRSLDPEILVNVAVDVLEKISHAGYLLFKTNQGTSAHLQRYKPVALVRPYDSVVVRGSVAEKPTVISGGHVIVNVCDETGCLQIAFYKETGRLNR...
0
216
30,483
UN
30,483
O73853
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
MGWLICFCVFAAIIIVALYLRKIHGFLVDDRAPPNLPSLPIIGSLLSINSNSPPHIFFQQLQKKYGDIYSLDMGSNRVIIVNNHHHAKEVLLRKGKIFAGRPRTVTTDILTRDGKDIAFGDYSATWKFHRKIVHGALCMFGEGTASIEKIICREASSMCEILTNLQSSAADLAPELTRAVTNVVCTLCFSSSYKRGDPEFEAMLKYSQGIVDTVAKDSLVDIFPWLQLFPNEDLRILRRCVSIRDKLLQKKYEEHKADFSDNIQRDLFDALLRAKNSSENNNTSTQDVGLTDDHLLMTVGDIFGAGVETTTTVLKWSILY...
0
217
76,423
UN
76,423
F5HN73
CCCC[C@H](O)C1=C(CO)C(O)=CC=C1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCCC[C@H](O)C1=C(CO)C(O)=C(CC=C(C)C)C=C1.O=P([O-])([O-])OP(=O)([O-])O
null
CC(C)=CCOP(=O)(O)OP(=O)(O)O.CCCC[C@H](O)c1cccc(O)c1CO>>CCCC[C@H](O)c1ccc(CC=C(C)C)c(O)c1CO.O=P(O)(O)OP(=O)(O)O
MEISKKAATLLPKPFYVLSQALNLSNKDHTKWWYSTAPMFATMMAGAGYDVHAQYKFLCIHREVIIPALGPYPEKGQPMHWKSHLTRFGLPFELSFNYSKSLLRFAFEPLGSLTGTKDDPFNTQAIRPVLQDLKAMVPGLDLEWFDHFTKALVVSEEEARTLLDRDIEIPVFKTQNKLAADLEPSGDIVLKTYIYPRIKSIATGTPKERLMFDAIKAADKFGKVATPLAILEEFIAERAPTLLGHFLSCDLVKPSESRIKVYCMERQLDLASIEGIWTLNGRRNDPETLDGLDALRELWQLLPVTEGLCPLPNCFYEPGT...
0
218
77,883
UN
77,883
Q9XQJ6
O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H]>>O=C(COP(=O)([O-])[O-])[C@H](O)[C@H](O)CO.O=P([O-])([O-])O
3.1.3.109
O.O=C(COP(=O)(O)O)[C@H](O)[C@H](O)COP(=O)(O)O>>O=C(COP(=O)(O)O)[C@H](O)[C@H](O)CO.O=P(O)(O)O
KASVGFKAGVKEYKLTYYTPEYEVKDTDILAAFRVTPQPGVPPEEAGAAVAAESSTGTWTTVWTDGLTSLDRYKGRCYHIEPVAGEENQYICYVAYPLDLFEEGSVTNMFTSIVGNVFGFKALRALRLEDLRIPTSYTKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENVNSQPFMRWRDRFVFCAEAIYKAQAETGEIKGHYLNATAGTCEEMMKRAIFARELGVPIVMHDYLTGGFTANTSLAHYCRDNGLLLHIHRAMHAVIDRQKNHGMHFRVLAKALRLSGGDHIH...
0
219
78,411
UN
78,411
Q8RY79
COC(=O)NC1=NC2=C(C=CC=C2)N1.[H]O[H]>>NC1=NC2=CC=CC=C2N1.CO.O=C=O
3.1.1.122
COC(=O)Nc1nc2ccccc2[nH]1.O>>CO.Nc1nc2ccccc2[nH]1.O=C=O
MENGSGKVLKPMDSEQLREYGHLMVDFIADYYKTIEDFPVLSQVQPGYLHKLLPDSAPDHPETLDQVLDDVRAKILPGVTHWQSPSFFAYYPSNSSVAGFLGEMLSAGLGIVGFSWVTSPAATELEMIVLDWVAKLLNLPEQFMSKGNGGGVIQGSASEAVLVVLIAARDKVLRSVGKNALEKLVVYSSDQTHSALQKACQIAGIHPENCRVLTTDSSTNYALRPESLQEAVSRDLEAGLIPFFLCANVGTTSSTAVDPLAALGKIANSNGIWFHVDAAYAGSACICPEYRQYIDGVETADSFNMNAHKWFLTNFDCSLL...
0
220
80,771
UN
80,771
W6QL00
[NH3+][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[NH2+][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
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O>>CN[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
MTIINSRIIDIRQSTFEESIPDQVTAGLSTTPKTLPALLFYSGEGIRHWIEHSTAADFYPRHEELRILRARAAEMVDSIANNSVVVDLGSASLDKVLPLLEALEASKKNITFYALDLSFSELQSTLQSLPYEQFKFVKIGALHGTFEDGVQWLKDTPGVQDRPHCLLLFGLTVGNYSRPNAAKFLQNIASNALAASPVQSSILLSLDSCKMPTKVLRAYTAEGVVPFALASLDYGNTLFAPNKMGEKVFQPSDWYFLSEWNYMLGRHEASLITKGKEVRLGGPLNDIVIEKHEKIRFGCSYKYDTDERQVLFGSAGLTDV...
0
221
75,763
UN
75,763
Q5KQT6
CCCCCC/C=C/C=C/CCCCCCCC(=O)[O-].[H]O[H]>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)[O-]
null
CCCCCC/C=C/C=C/CCCCCCCC(=O)O.O>>CCCCCC/C=C/C(O)CCCCCCCCC(=O)O
MAISPTATELLLASFAFCLVFWVVRAWQPRVPKGLKSPPGPWGWPLLGHVLTLGKNPHLVLARLSQRYGDVLQIRIGSTPVLVLSGLDTIRQALVQQGDDFKGRPNLYSFSLVTDGHSMSFSPDSGPVWAARRRLAQSALNTFSIASDPASSSSCYLEDHVSKEAEALLSRLQEQMAEVGSFDPHSQVVLSVANVIGAMCFGQHFPQDSEEKLSLIHSSNIFVENAYSGNPVDFFPILQYIPTPGLQRFKAFNQKLVQFLQKIIQEHYQDFDENNIQDITGALLKHCKKGSRANGGRIPHEKIVSLINDIFGAGFDTVTT...
0
222
78,091
UN
78,091
Q575S8
C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-2]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.[N]=O.O=O>>C=CC1=C(C)/C2=C/C3=C(C=C)C(C)=C4/C=C5/C(C)=C(CCC(=O)[O-])C6=[N+]5[Fe-]5(N43)N3C(=C6)C(CCC(=O)[O-])=C(C)/C3=C/C1=[N+]25.O=[N+]([O-])[O-]
null
C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-2]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=O.[N]=O>>C=CC1=C(C)C2=Cc3c(C=C)c(C)c4n3[Fe-]35n6c(c(C)c(CCC(=O)O)c6=CC6=[N+]3C(=C4)C(C)=C6CCC(=O)O)=CC1=[N+]25.O=[N+]([O-])[O-]
MEKEREDEETEGRERPEPLTDVERGIIKDTWARVYASCEDVGVTILIRFFVNFPSAKQYFSQFQDMEDPEEMEKSSQLRKHARRVMNAINTVVENLHDPEKVSSVLVLVGKAHAFKYKVEPIYFKILSGVILEILAEEFGECFTPEVQTSWSKLMAALYWHITGAYTEVGWVKLSSSAV
1
223
23,044
UN
23,044
Q9FNJ8
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
MQTISPAFSCDLKSVIQPNLTAKKARYSHVNGKRVSVRCSYRSESFSFPNGVGSSRADWQSSCAILASKVVSAENSSSVAVVNGHSNGSVDLSLVPSKSQHNGKPGLIQPLTITDLSPAPSHGSTLRVAYQGVPGAYSEAAAGKAYPNSEAIPCDQFDVAFQAVELWIADRAVLPVENSLGGSIHRNYDLLLRHRLHIVGEVQIPVHHCLLALPGVRTDCITRVISHPQALAQTEGSLNKLTPKAAIEAFHDTAAAAEYIAANNLHDTAAVASARAAELYGLQILADGIQDDAGNVTRFLMLARDPIIPRTDRPFKTSIV...
0
224
78,983
UN
78,983
O65435
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
MEAIKTFSPKFGFQISLSPRTHLTPVRFPPTACPVKPANLVRLKATRALIRDPQESNRKFQKFPPSEWTNRFDSVSVDASEMDALRKEIDKIIPNVKKELMSSQGIESTKKKILMVYLLVSLGLAYHFEDEIEECLKEGFETIEEMMAGEDNLYTISIIFLVLRTYGHHMSSDIFQKFKGNDGNFKGCISGDAKGLLALYEAAQLRTTTEYIMEEALSFTSSNLELLAADGRCPPHLSKHIRNALGLSQHKQMEVLVAVEYISFYEQEKDHDKILLKFAKLNFKLMQLHYLEELKVVTKWYKEHDFASNLPPYFKYVIVE...
0
225
80,307
UN
80,307
Q4R4Q4
[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)[C@@H](O)CC[C@]21C.*>>[H][C@]12CC[C@]3(C)C(=CC[C@@]3([H])[C@@H]3C[C@H]([C@@H]4OC4(C)C)O[C@H]3OC(C)=O)[C@]1(C)[C@H](O)C[C@@]1([H])C(C)(C)C(=O)CC[C@]21C.[H]*[H]
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)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C>>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)C(=O)CC[C@]4(C)[C@H]3CC[C@]21C
MATNESVSIFSSASLAVEYVDSLLPENPLQEPFKNAWNYMLNNYTKFQIATWGSLIVHEALYFSFCLPGFLFQFIPYMKKYKIQKDKPETWENQWKCFKVLLFNHFCIQLPLICGTYYFTEYFNIPYDWERMPRWYFLLARCFGCAVIEDTWHYFMHRLLHHKRIYKYIHKVHHEFQAPFGMEAEYAHPLETLILGTGFFIGIVLLCDHVILLWAWVTIRLLETIDVHSGYDIPLNPLNLIPFYAGSRHHDFHHMNFIGNYASTFTWWDRIFGTDSQYHAYYEKKKKFEKKTE
0
226
80,215
UN
80,215
Q8W3Z2
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>[H][C@@]12CC[C@H](C(C)C)[C@@]1(C)CC[C@]1(C)/C3=C/C[C@@]4([H])C(C)(C)[C@@H](O)CC[C@]4(C)[C@@]3([H])CC[C@@]21C
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H]1OC1(C)C>>CC(C)[C@H]1CC[C@@H]2[C@]1(C)CC[C@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
MWKLKIAEGGPGLVSGNDFIGRQHWEFDPDAGTPQERAEVEKVREEFTKNRFQMKQSADLLMRMQLRKENPCQPIPPPVKVKETEVITEEAVITTLRRSLSFYSSIQAHDGHWPGESAGPLFFLQPFVMALYITGDLNTIFSPAHQKEIIRYLYNHQNEDGGWGFHIEGHSTMFGSALSYIALRILGEGLEDGEDGAMAKSRKWILDHGGLVAIPSWGKFWVTVLGLYEWSGCNPLPPEFWFLPDIFPIHPGKMLCYCRLVYMPMSYLYGKRFVGPITGLIQSLRQELYNEPYHQINWNKARSTVAKEDLYYPHPLIQDL...
0
227
65,788
UN
65,788
Q9KZF5
CN(C)C(=O)NC1=CC=C(Cl)C(Cl)=C1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>CNC(=O)NC1=CC=C(Cl)C(Cl)=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(Cl)c(Cl)c1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MTQETTTLTGQSPPPVRDWPALDLDGPEFDPVLAELMREGPLTRVRLPHGEGWAWLATRYDDVKAITNDPRFGRAEVTQRQITRLAPHFKPRPGSLAFADQPDHNRLRRAVAGAFTVGATKRLRPRAQEILDGLVDGILAEGPPADLVERVLEPFPIAVVSEVMGVPAADRERVHSWTRQIISTSGGAEAAERAKRGLYGWITETVRARAGSEGGDVYSMLGAAVGRGEVGETEAVGLAGPLQIGGEAVTHNVGQMLYLLLTRRELMARMRERPGARGTALDELLRWISHRTSVGLARIALEDVEVHGTRIAAGEPVYVS...
0
228
81,491
UN
81,491
B9ZUK6
CCCC[C@@H](C)[C@H](O)[C@H](C)C(=O)/C(C)=C/[C@@H](OC)[C@@H](O)[C@@H](OC)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](OC)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](OC)C(=O)N/C=C\...
MNTQPLERALAAFREVLGTAHVSTDESARAAAETATFATTHRIPAIISPGSAAEVEACVRIAREHGVPLYPVSTGKNWGYGSRVPTSDGAIVLSLARMNRILDFNEELAYVAIEPGVTMRQLVAYLNDRGSRLMLSVTGSTPDSSVVGNICDRGFGAGVNAERIAHICNIEVVLPNGERLNTGFGRFPGAQTASIHRWGIGPQLDGLFTQSNLGIVTRMTIWLAPRPRHHEIFYFRLRDERRVEAVTDIIRDLKLQGLPRASVSLWNDYKLVSMKGQYPWQEAAGKTPLPEALLAKLRRAWGGAAWLGGGAILAASQDQI...
1
230
65,808
UN
65,808
Q41510
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.O=O.[H+].[H+].[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]....
1.14.19.78
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCCC)C(*)=O.O=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCCCCC#C)C(*)=O.O.O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MALVFKSIGAHKTPPCTLNLASPALYHTRVTMASTITHPPPLKDRKISSTRRVRTYPLAPEKAEIFNSMHGWVEDTILPFLKPVEESWQPTDFLPDSTSDGFHEQVEELRKRTADLPDDYLVALVGAMVTEEALPTYQTMLNTTDVIYDESGASPVPWAVWTRAWTAEENRHGDIVNKYLYLSGRVDMKQIEKTIQYLIGSGMDPGADNNPYLAYIYTSYQERATAISHGSLGRLARQKGEMKLAQICGTISADEKRHEAAYSKIVEKLFELDPEGTMLALAYMMKMKIVMPARLMHDGKDPDMFQHFSAVSQRLGIYTA...
0
231
80,847
UN
80,847
Q6EPG8
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
MAQNVQENEQVMSTEDLLQAQIELYHHCLAFIKSMALRAATDLRIPDAIHCNGGAATLTDLAAHVGLHPTKLSHLRRLMRVLTLSGIFTVHDGDGEATYTLTRVSRLLLSDGVERTHGLSQMVRVFVNPVAVASQFSLHEWFTVEKAAAVSLFEVAHGCTRWEMIANDSKDGSMFNAGMVEDSSVAMDIILRKSSNVFRGINSLVDVGGGYGAVAAAVVRAFPDIKCTVLDLPHIVAKAPSNNNIQFVGGDLFEFIPAADVVLLKCILHCWQHDDCVKIMRRCKEAISARDAGGKVILIEVVVGIGSNETVPKEMQLLFD...
0
232
78,971
UN
78,971
Q0P570
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
MASEKPIVVVTCTAPVNIAVVKYWGKRDEELILPINSSLSVTLHQDQLKTTTTAAISRDFTEDRIWLNGREEDMGHPRLQACLREIRRLARKRRSDGHEDPLPLSLSYKVHVASENNFPTAAGLASSAAGYACLAYTLARVYGVDSDLSEVARRGSGSACRSLYGGFVEWQMGERPDGKDSVACQVAPESHWPELRVLILVVSAERKPMGSTAGMQTSVETSALLKFRAEALVPPRMAEMTRCIRERNFQAFGQLTMKDSNQFHATCLDTFPPISYLSDTSRRIIQLVHRFNAHHGQTKVAYTFDAGPNAVVFTLDDTVA...
0
233
27,706
UN
27,706
Q4L7W2
[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
MVKENICIVYGGKSAEHDVSKLTAQNVLNAIDKERYLVDIIYITNDGLWKKKENITEEIKEIESLNMTDIEAGEITILLKESSNGKPYDAIFPLLHGPNGEDGTIQGLFEVLDLPYVGNGVLAASSSMDKLVMKQLFEHRGLPQLPYISFLRSEYEKYEGNIIKLVKDKLTYPVFVKPANLGSSVGISKCNNEDELKSGIEEAFQFDRKLVIEQGINAREVEVAVLGNDYPETTWPGEVIKDVAFYDYKSKYKDGKISLQIPAELDEEVQMTLRNMALEAFKATDCSGLVRADFFVTEDNQIFINETNAMPGFTAFSMYP...
0
234
75,779
UN
75,779
O04353
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
MAAQIKKYITSDELKNHDKPGDLWISIQGKAYDVSDWVKDHPGGSFPLKSLAGQEVTDAFVAFHPASTWKNLDKFFTGYYLKDYSVSEVSKDYRKLVFEFSKMGLYDKKGHIMFATLCFIAMLFAMSVYGVLFCEGVLVHLFSGCLMGFLWIQSGWIGHDAGHYMVVSDSRLNKFMGIFAANCLSGISIGWWKWNHNAHHIACNSLEYDPDLQYIPFLVVSSKFFGSLTSHFYEKRLTFDSLSRFFVSYQHWTFYPIMCAARLNMYVQSLIMLLTKRNVSYRAHELLGCLVFSIWYPLLVSCLPNWGERIMFVIASLSVT...
0
235
78,719
UN
78,719
Q57NL6
O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O.[H]O[H]>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
3.2.1.218
O.O=C1[C@@H](O)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)O[C@H](CO)[C@H]1O>>O=C1[C@@H](O)C(O)O[C@H](CO)[C@H]1O.OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O
MIPPEIRRSVLLQKAIKLALAGTLLTFASFSATAADPSSDTETPQPPDILLGPLFNDVQNAKLLPDQKTFADAIPNSDPLMILADYRMQRNQSGFDLRHFVDVNFTLPKAGEKYVPPAGQSLREHIDGLWPVLTRSTKNVKKWDSLLPLPESYVVPGGRFREIYYWDSYFTMLGLAESGHWDKVADMVANFGYEIDAWGHIPNGNRTYYLSRSQPPFFAFMVELLAQHEGDDALKEYLPQLQKEYAYWMEGVETLQPGQQNQRVVKLEDGSVLNRYWDDRDTPRPESWVEDIATAKSNPNRPATEIYRDLRSAAASGWDF...
0
236
55,904
UN
55,904
Q48303
[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...
MARDPRFDILFTPLKLGSKTIRNRFYQVPHCNGAGTNSPGMNMAHRGIKAEGGWGAVNTEQCSIHPECDDTLRITARIWDQGDMRNLRAMVDHVHSHGSLAGCELFYGGPHAPAIESRTISRGPSQYNSEFATVPGCPGFTYNHEADIDELERLQQQYVDAALRARDTGFDLVNVYGAHAYGPMQWLNPYYNRRTDKYGGSFDNRARFWIETLEKIRRAVNDDVALVTRCATDTLYGTKGVELTEDGLRFIELASPYLDLWDVNIGDIAEWGEDAGPSRFYPIAHENDWIRHIKQATNKPVVGVGRYYDPEKMLQVIKAG...
0
237
78,815
UN
78,815
Q9EQ76
[NH3+]CCCC[NH3+].NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.O=O>>[NH3+]CCCCNO.NC(=O)C1=CC=C[N+]([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@H]3O[C@@H](N4C=NC5=C4N=CN=C5N)[C@H](OP(=O)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1...
1.14.13.252
NC(=O)C1=CN([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C=CC1.NCCCCN.O=O>>NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.NCCCCNO.O
MKRKVAVIGAGVSGLAAIRSCLEEGLEPTCFERSDDVGGLWKFSDHTEEGRASIYQSVFTNSSKEMMCFPDFPYPDDFPNFMHNSKLQEYITSFATEKNLLKYIQFETLVTRINKCPDFSTTGKWEVTTEKNSKKETAVFDAVMICSGHHVYPHLPKDSFPGLNRFKGKCFHSRDYKEPGTWKGKRVLVIGLGNSGCDIAAELSHVAQQVIISSRSGSWVMSRVWNDGYPWDMVVITRFQTFLKNNLPTAISDWWYMKQMNARFKHENYGLMPLNGTLRKEPVFNDELPARILCGTVSIKPNVKEFTETSAVFEDGTVFE...
0
238
78,987
UN
78,987
Q5EAD5
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>C[C@@H]1CCC2=C3C[C@@]4(C)CCC(C)(C)[C@H]4[C@@H]3CC[C@]21C.O=P([O-])([O-])OP(=O)([O-])O
4.2.3.225
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C[C@@H]1CCC2=C3C[C@@]4(C)CCC(C)(C)[C@H]4[C@@H]3CC[C@]21C.O=P(O)(O)OP(=O)(O)O
MAATEDERPTGSGEGERLDFLRDRHVRFFQRCLQVLPERYSSLETSRLTIAFFALSGLDMLDSLDVVNKDDIIEWIYSLQVLPTEDRSNLNRCGFRGSSYLGIPFNPSKNPGTAHPYDSGHIAMTYTGLSCLVILGDDLSRVNKEACLAGLRALQLEDGSFCAVPEGSENDMRFVYCASCICYMLNNWSGMDMKKAINYIRRSMSYDNGLAQGAGLESHGGSTFCGIASLCLMGKLEEVFSEKELNRIKRWCIMRQQNGYHGRPNKPVDTCYSFWVGATLKLLKIFQYTNFEKNRNYILSTQDRLVGGFAKWPDSHPDAL...
0
239
54,828
UN
54,828
B6BQB2
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
MSKVAIIGAGPCGLSILRAFEHLEKKGEKIPEIVCFEKQESWGGLWNYNWRTGSDQYGDPVPNSMYRYLWSNGPKECLEFADYSFDQHFGKSIPSFPPREVLQDYILGRVSKGNIKNKIKFNTRVINTVYRNDKFEINYQDKVNDKTLSDTFDYLVVSTGHFSVPFIPEYEGMSSFPGRIMHSHDFRDAEEFRGKNVIVLGSSYSAEDVALQCNKYGAKSVTIGYRHNPMGFKWPKGMKEVHYLDKLDGKKAIFKDGTEQDADVVILCTGYLHHFPFLDESLKLKTHNRLYPPKLYKGVVWQDNHKLLYLGMQDQFHTFN...
0
240
14,769
UN
14,769
Q0QLF1
[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
MKKRGKGVGSMWYGIGNTGLPNPAAAFVEIHGDGSANVMFGAADIGQGSGTAMAQIAAEELGLDYEKIHVTWGDTMVTPDGGATSASRQTLITGNAVILACRQAKETLAKTAAEKLDCAPEELSFRDNTVFITADPERSMTYGELMAAMKAAGRMAVGAGSYNPNTTGLAPENMSGIPFEVYSYATTIAEVEVDTETGEVDVLKVVSAHDVGTPINRSMVEGQIEGGVTMGQGFVLMEEIEVNTKNGAIKNPSMSKYIIPSNRDVPEIHSILVESEGGPGPFGAKGVGEPALIPMIPAVVAAIEDALGTRFTHTPIMPKD...
0
241
75,907
UN
75,907
Q8S8Y9
[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
MNGEESFVEDCSVFVEIDPSGRYGRYDEILGKGASKTVYRAFDEYEGIEVAWNQVKLRNFTRNPEELEKFFREIHLLKTLNHQNIMKFYTSWVDTNNLSINFVTELFTSGTLRQYRLRHRRVNIRAVKQWCKQILKGLLYLHSRSPPIIHRDLKCDNIFINGNQGEVKIGDLGLAAILRKSHAVRCVGTPEFMAPEVYDEEYNELVDVYAFGMCVLEMVTFDYPYSECTHPAQIYKKVTSGKKPEAFYLVKDPEVREFVEKCLANVTCRLTALELLQDPFLQDDNMDGFVMRPIDYYNGYDETGVFLRHPLIDDPLYHDQ...
0
242
81,531
UN
81,531
P22509
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
MKPGFSPRGGGFGGRGGFGDRGGRGGGRGGRGGFGGGRGGFGGGGRGRGGGGGGFRGRGGGGGRGGGFQSGGGRGRGGGRGGKRGNQSGKNVMVEPHRHEGVFICRGKEDALVTKNLVPGESVYGEKRVSISEGDDKIEYRAWNPFRSKLAAAILGGVDQIHIKPGAKVLYLGAASGTTVSHVSDIVGPDGLVYAVEFSHRSGRDLINLAKKRTNIIPVIEDARHPHKYRMLIAMVDVIFADVAQPDQTRIVALNAHTFLRNGGHFVISIKANCIDSTASAEAVFASEVKKMQQENMKPQEQLTLEPYERDHAVVVGVYR...
0
243
80,875
UN
80,875
Q9FJV8
CC1=CC(O)=C(C/C=C(\C)CC/C=C(\C)CC/C=C(\C)CC[C@@H]2OC2(C)C)C(=O)O1>>[H][C@@]1(CC/C(C)=C/CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@H](O)C1(C)C
null
C/C(=C\CC/C(C)=C/Cc1c(O)cc(C)oc1=O)CC/C=C(\C)CC[C@@H]1OC1(C)C>>C=C1CC[C@H](O)C(C)(C)[C@@H]1CC/C(C)=C/CC/C(C)=C/Cc1c(O)cc(C)oc1=O
MWRLRIGAEARQDPHLFTTNNFAGRQIWEFDANGGSPEELAEVEEARLNFANNKSRFKASPDLFWRRQFLREKKFEQKIPRVRIEDAEKITYEDAKTALRRGVLYYAACQANDGHWPSEVSGSMFLDAPFVICLYITGHLEKIFTLEHVKELLRYMYNTQNEDGGWGLDVESHSVMFCTVLNYICLRILGVEPDHDGQKSACARARKWILDHGGATYAPMVAKAWLSVLGVYDWSGCKPLPPEIWMLPSFSPINGGTLWIYIRDLLMGMSYLYGKKFVATPTALILQLREELYPQPYSKIIWSKARNRCAKEDLLYPKSF...
0
244
79,687
UN
79,687
Q54TW4
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)([O-])OP(=O)([O-])[O-]>>[H][C@@]12C/C=C(/C)[C@]3([H])CC[C@H](C)[C@]3([H])C[C@@]1(C)CC[C@]1(C)CC[C@H](C(=C)C)[C@]12[H].O=P([O-])([O-])OP(=O)([O-])O
null
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/COP(=O)(O)OP(=O)(O)O>>C=C(C)[C@H]1CC[C@@]2(C)CC[C@]3(C)C[C@H]4[C@@H](C)CC[C@H]4/C(C)=C\C[C@H]3[C@H]12.O=P(O)(O)OP(=O)(O)O
MLCFNDFNFPKEWEVVPNSFKYIDIVIKEIIGFGLIKENDQELKMIVNQAISIAAYFWPYANEEQMVMGGSVLCWCVLFDDPLDTNKLDEKKGLEIVSRTEKLLLTRTLPNNPTNLEKYGFTIFEKCLKYCGTNTHMYDMLIKLTVQWIYSIIPFNKLNESPVHPETLKYIRKINIGIEFTQSIFYIINSNNKVDLIVLANPLYQKLVDLSSLNISFVNDAASFCKEIKDGGSDNNLFIILMKRLGGIEFIKEAYKQLTDLSNGYIDEFCYYEKLLLSSLSKQQQNEIQIFIDHLKYLMKGNQIWSTKTIRYATEDHPII...
0
245
65,768
UN
65,768
P71875
*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
MSTDTSGVGVREIDAGALPTRYARGWHCLGVAKDYLEGKPHGVEAFGTKLVVFADSHGDLKVLDGYCRHMGGDLSEGTVKGDEVACPFHDWRWGGDGRCKLVPYARRTPRMARTRSWTTDVRSGLLFVWHDHEGNPPDPAVRIPEIPEAASDEWTDWRWNRILIEGSNCRDIIDNVTDMAHFFYIHFGLPTYFKNVFEGHIASQYLHNVGRPDVDDLGTSYGEAHLDSEASYFGPSFMINWLHNRYGNYKSESILINCHYPVTQNSFVLQWGVIVEKPKGMSEEMTDKLSRVFTEGVSKGFLQDVEIWKHKTRIDNPLLV...
0
246
23,044
UN
23,044
O14361
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
MSASKIAFLGPRGTFSHQAALLARPDSLLCSLPSFAAVLEALSSRQVDYAVLPIENSTNGAVIPAYDLLKGRDDIQAVGEVLVPAHHCIIGKSLENVQKILSHPQAFGQCSKWISANVPNAEFVSVSSTSQAAALASKDITGTIVAISSELCAVENQFNLLVKNIEDDSNNRTRFLLLRSGGFQDDLSPLKEKSLLQFYLSHPKKLSAVFEVFAAHKVVITNLVVRPSCKFPWTYIYFVECLGMEKHLIDRVGKYCDTFTFMGSYTNQISYF
0
247
80,255
UN
80,255
Q2G1N1
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....
MQNHTAVNTAQAIILRDLVDALLFEDIAGIVSNSEITKENGQTLLIYERETQQIKIPVYFSALNMFRYESSQPITIEGRVSKQPLTAAEFWQTIANMNCDLSHEWEVARVEEGLTTAATQLAKQLSELDLASHPFVMSEQFASLKDRPFHPLAKEKRGLREADYQVYQAELNQSFPLMVAAVKKTHMIHGDTANIDELENLTVPIKEQATDMLNDQGLSIDDYVLFPVHPWQYQHILPNVFAKEISEKLVVLLPLKFGDYLSSSSMRSLIDIGAPYNHVKVPFAMQSLGALRLTPTRYMKNGEQAEQLLRQLIEKDEALA...
0
248
78,519
UN
78,519
Q8Z3G5
[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
MSKAGASLATCYGPVSTHVMTKAENIRLLILDVDGVLSDGLIYMGNNGEELKAFNVRDGYGIRCALTSNIEVAIITGRKAKLVEDRCATLGIVHLYQGQSNKLIAFSDLLEKLAIAPENVAYVGDDLIDWPVMEKVGLSVAVADAHPLLIPRADYVTHIAGGRGAVREVCDLLLLAQGKLDEAKGQSI
0
249
76,447
UN
76,447
Q2S8F7
[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
MSEKLAARLEKLRRRHPQALADIYRGIEKEGLRVDSKGFIAQSDHPQALGSALTHPNITTDYSEALLELITPVTREVDELLTSLQEIHQFVHANLPAGESLWAGSMPSLLDGDESIRIAEYGESNLGKIKHVYRRGLAYRYGRIMQSIAGVHFNFSLGDDFWRAYQEVLAQSAPLQEFKSESYFSLIRNFRRWSWLLMYLFGASPALDRSFLNGRDHKLDQFGTDTLGLPHATSLRMSDLGYQNNAQSSLKICFNHLSTYVKTLYDATHTPFPRYEAIGLQRDGEYIQLNANLLQIENEYYNTIRPKRVTQSGEKPIQAL...
0
250
78,231
UN
78,231
Q7SYI5
*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C3=C2N=C(N)...
null
*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(=O)[nH]c(N)nc...
MKALGARSAFYVGFLVGTCSLYLLLRQAGFTRDSGSREPGTHDKTLLEMLEEENKNWKKERSALFNLNHPHHTGEDGALADSLYKRVRILCWVMTGPDNLEKKARHVKATWSRHCNIVVFISSVDNPDFPTVGLNTKEGRDQLYWKTIRAFHYVMEKHSDEADWFLKADDDTYVIVDNLRWILARHSPEDPVYFGRRFKPYVKQGYMSGGAGYVLSKEALRRFVEGFRTKVCTHTTSVEDLAMGQCMEKIGVKAGDSRDTMQRETFHPFVPESHLTGTFPKTFWYWNYCYYPIVQGPQCCSDLAVSFHYVDASHMYLLEY...
0
251
77,079
UN
77,079
C4ZQY9
C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+]
null
CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3
MNRLPSSASALACSAHALNLIEKRTLDHEEMKALNREVIEYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRKPFMPLLPGFRHVPFGNIEAMRTALNECKKTGDDVAAVILEPIQGEGGVILPPPGYLTAVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS...
0
252
80,979
UN
80,979
Q9SLG2
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
MEAQNIFLYLLIVFLSLHFVFTTLKGRLSPANTRRLIRLLHIPIKSPVAAAIFARKDTREFLDSSIKLVNEEDDFGFSFDFKPYMISKAETINRALDEAIPLIEPLNIHKAMRYAILAGGKRVRPILCLAACELVGGEERLAIQAACAVEMIHTMSLIKDDLPCMDNDDLRRGKPTTHKVFGESVAILSGGALLALAFEHLTEADVSSKKMVRAVKELAKSIGTKGLVAGQAKDLSSEGLEQNDVGLEDLEYIHVHKTGSLLEASAVIGAVIGGGTEKEIEKVRNFARCIGLLFQVVDDILDETKSSEELGKTAGKDKVA...
0
253
76,423
UN
76,423
C8VJQ1
CCCC[C@H](O)C1=C(CO)C(O)=CC=C1.CC(C)=CCOP(=O)([O-])OP(=O)([O-])[O-]>>CCCC[C@H](O)C1=C(CO)C(O)=C(CC=C(C)C)C=C1.O=P([O-])([O-])OP(=O)([O-])O
null
CC(C)=CCOP(=O)(O)OP(=O)(O)O.CCCC[C@H](O)c1cccc(O)c1CO>>CCCC[C@H](O)c1ccc(CC=C(C)C)c(O)c1CO.O=P(O)(O)OP(=O)(O)O
MLCKTGGCVEGRAAEDQSTRKVHWGQEGSGQSPEARPRALDMISRLEPSRGPSHAHWWHIISPQLAVMLEETGYPVEKQLEILTFLYHWVIPYLAPVAAGNAASSCNWKSLLPSAIVPLEYSWKWDSSGKAREPEIRLTIEVFGELSGTQFDPLNQAPAMELLYRLSSILPGVNQILASHFRCKFFDHDNVKYMEEPRLDTLPRSTMLTYMTPRKLGQQGFAPLSEYVSAIQALGQASGRTLDTLTNFLSTSPEGVHLHPFGLAFDNVEPSSSRLKLYFFSNRTSYNSMREVLTLGGRIYSESYDMEEKLRTIYSLAQLL...
0
254
77,659
UN
77,659
P21636
[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC1(O)C4=C[C@H](CCCCC/C=C/C)[C@H]2C[C@H](O)C(=O)CC/C=C/C)C(=O)OC3=O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@@]12/C3=C(\C[C@@]4(CC(=O)[O-])C(=O)OC15O[C@]([H])(C(=O)CC/C=C/C)C[C@@H]2[C@@H](CCCCC/C=C/C)C=C54)C(=O)OC3=O.CO.NC1=NC=NC2=...
null
C/C=C/CCCCC[C@H]1C=C2C3(O)OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@H](O)C(=O)CC/C=C/C.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C/CCCCC[C@H]1C=C2C34OC(=O)[C@]2(CC(=O)O)CC2=C(C(=O)OC2=O)[C@H]3[C@@H]1C[C@@H](C(=O)CC/C=C/C)O4.CO.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O...
MAEAGMRKILIIGIGSGNPEHMTVQAINALNCADVLFIPTKGAKKTELAEVRRDICARYVTRKDSRTVEFAVPVRRTEGVSYDGSVDDWHAQIAGIYEALLSKELGEEGTGAFLVWGDPMLYDSTIRIVERVKARGEVAFAYDVIPGITSLQALCASHRIPLNLVGKPVEITTGRRLHESFPEKSQTSVVMLDGEQAFQRVEDPEAEIYWGAYLGTRDEIVISGRVAEVKDRILETRAAARAKMGWIMDIYLLRKGADFDE
0
255
78,499
UN
78,499
P77788
CC(=O)N(O)CCCP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=CC(N)=NC2=O)[C@H](O)[C@@H]1O.[H]O[H]>>CC(=O)N(O)CCCP(=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
CC(=O)N(O)CCCP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@H](O)[C@@H]1O.O>>CC(=O)N(O)CCCP(=O)(O)O.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)n1
MKMIEVVAAIIERDGKILLAQRPAQSDQAGLWEFAGGKVEPDESQRQALVRELREELGIEATVGEYVASHQREVSGRIIHLHAWHVPDFHGTLQAHEHQALVWCSPEEALQYPLAPADIPLLEAFMALRAARPAD
0
256
30,479
UN
30,479
P19100
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
MWVLLVFFLLTLTYLFWPKTKGSGAKYPRSLPVLPVVGSLPFLPRRGHQHMNFFKLQDKYGPIFSFRLGSKTTVVIGDHQLAKEVLLKKGKEFSGRPRVMTLDILSDNQKGIAFADHGTSWQLHRKLALSTFSLFKGGNLKLENIINQEIKVLCDFLATRNGESIDLAQPLSLAMTNIVSFICFNFSFKKGDPALQAIVNFNDGILDAVGKEILYDMFPGIRILPSQTLENMKQCVRMRNELLREILENRKENYSRNSITNLLDIMIQAKTNAESNTGGPDHNLKLLSDRHMLATVADIFGAGVETSASVVKWIVAFLLH...
0
257
13,961
UN
13,961
P36208
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)...
MKLAHWMYAGPAHIGTLRVASSSKNVHAIMHAPLGHHYFNVMRSMLERERDFTPATASTVDRHVLARGSQEKVVDNVLRKDKEERPDLIILTPTCTSSILQEDLQNFADRASIISDSNVIFADVDHYRVNELQAADRTLEQVVRYYLDRSHRQETLDQSVTDAPSANLIGIFTLGFHNQHDCRELRRLLRDLDIEMNQVIPEGGSVEDLKNLPKAWLNLIPYREVGLMTAMYFEKEFGMPYISTIPMGAVDMAECIRQIQRYVNTLAHISSSKEVDYEPYIDGQTRFVSQAAWFSRSIDCQNLTGKETVVFGDATHAASI...
0
258
74,523
UN
74,523
A8MUP2
[NH3+]CCCC[C@H]([NH3+])C(=O)[O-].C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>C[NH+](C)CCCC[C@H]([NH3+])C(=O)[O-].NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[C@@H](O)[C@H]1O.NC1=NC=NC2...
null
C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.NCCCC[C@H](N)C(=O)O>>CN(C)CCCC[C@H](N)C(=O)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MAALRRMLHLPSLMMGTCRPFAGSLADSCLADRCLWDRLHAQPRLGTVPTFDWFFGYDEVQGLLLPLLQEAQAASPLRVLDVGCGTSSLCTGLYTKSPHPVDVLGVDFSPVAVAHMNSLLEGGPGQTPLCPGHPASSLHFMHADAQNLGAVASSGSFQLLLDKGTWDAVARGGLPRAYQLLSECLRVLNPQGTLIQFSDEDPDVRLPCLEQGSYGWTVTVQELGPFRGITYFAYLIQGSH
0
259
82,199
UN
82,199
D3UAG3
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)...
MGDVIVLYASPGMGHIVAMVELGKFIVHRYGPHKFSITILYTCGSIVDTASIPVYIRRISHSHPFISFRQFPRVTNNITRNISVPAITFDFIRQNDPHVRSALQEISKSATVRAFIIDLFCTSALPIGKEFNIPTYYFHTSGAAVLAAFLYLPKIDEQTKTTESFKDLRDTVFEFPGWKSPLKATHMVQLVLDRNDPAYSDMIYFCSHLPKSNGIIVNTFEELEPPSVLQAIAGGLCVPDGPTPPVYYVGPLIEEEKELSKDADAAEKEDCLSWLDKQPSRSVLFLCFGSMGSFPAAQLKEIANGLEASGQRFLWVVKKP...
0
260
77,079
UN
77,079
Q5PC95
C[NH+](C)CCCCC[NH3+].CC1CCC2C3(C)[CH+]C4CC12CCC4(C)O3>>CC1CCC2C13CCC1(C)OC2(C)C([NH2+]CCCCC[NH+](C)C)C1C3.[H+]
null
CC1CCC2C3(C)CC4CC12CCC4(C)O3.CN(C)CCCCCN>>CC1CCC2C13CCC1(C)OC2(C)C(NCCCCCN(C)C)C1C3
MNRLPSSASALACSAHALNLIEKRTLNHEEMKALNREVIDYFKEHVNPGFLEYRKSVTAGGDYGAVEWQAGSLNTLVDTQGQEFIDCLGGFGIFNVGHRNPVVVSAVQNQLAKQPLHSQELLDPLRAMLAKTLAALTPGKLKYSFFCNSGTESVEAALKLAKAYQSPRGKFTFIATSGAFHGKSLGALSATAKSTFRRPFMPLLPGFRHVPFGNIDAMSMAFSEGKKTGDEIAAVILEPIQGEGGVILPPQGYLTEVRKLCDEFGALMILDEVQTGMGRTGKMFACEHENVQPDILCLAKALGGGVMPIGATIATEEVFS...
0
261
78,231
UN
78,231
P08037
*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O)C3=C2N=C(N)NC3=O)O[C@@H]1COP(*)(=O)[O-].O=C1C=CN([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)C(=O)N1>>*O[C@H]1[C@@H](O)[C@H](N2C=C(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)C3=C2N=C(N)...
null
*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O)c3c(=O)[nH]c(N)nc32)O[C@@H]1COP(*)(=O)O.O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)[nH]1>>*O[C@H]1[C@@H](O)[C@H](n2cc(CN[C@H]3C=C[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c3c(=O)[nH]c(N)nc...
MKFREPLLGGSAAMPGASLQRACRLLVAVCALHLGVTLVYYLAGRDLRRLPQLVGVHPPLQGSSHGAAAIGQPSGELRLRGVAPPPPLQNSSKPRSRAPSNLDAYSHPGPGPGPGSNLTSAPVPSTTTRSLTACPEESPLLVGPMLIEFNIPVDLKLVEQQNPKVKLGGRYTPMDCISPHKVAIIIPFRNRQEHLKYWLYYLHPILQRQQLDYGIYVINQAGESMFNRAKLLNVGFKEALKDYDYNCFVFSDVDLIPMNDHNTYRCFSQPRHISVAMDKFGFSLPYVQYFGGVSALSKQQFLSINGFPNNYWGWGGEDDD...
0
262
33,087
UN
33,087
Q9KXN1
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
MSADTLQIAYSPCPNDTFVFDALAHGRVPGAPALDVTFADIDITNGMAERGELDVLKVSYAVLPYVLDDWALLPCGGALGRGCGPLVLTREADADLRGRTVAVPSETSTAYLLFRLWAADTVPGGVGEIVVMPFHEIMPAVRDGKVDAGLVIHEARFTYQNYGLHKLADMGEHWEHTTGLPIPLGAIIARRSLGAPALTRLADAVRASVRAAWDDPEASRPYVMEHAQEMDPAVADQHIGLYVNEFTADLGEDGYAAIRGLLTRAAAEGLVPALGPDALAFP
1
263
81,320
LR
81,319
Q4R583
*[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
MKPKLMYQELKVPAEEPANELPMNEIEAWKAAEKKARWVLLVLILAVVGFGALMTQLFLWEYGDLHLFGPNQRPAPCYDPCEAVLVESIPEGLDFPNASTGNPSTSQAWLGLLAGAHSSLDIASFYWTLTNNDTHTQEPSAQQGEEVLRQLQTLAPKGVNVRIAVSKPNGPQPQTDLQALLQSGAQVRMVDMQKLTHGVLHTKFWVVDQTHFYLGSANMDWRSLTQVKELGVVMYNCSCLARDLTKIFEAYWFLGQAGSSIPSTWPRFYDTRYNQETPMEICLNGTPALAYLASAPPPLCPSGRTPDLKALLNVVDNARS...
1
264
76,995
UN
76,995
Q53450
[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.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+]>>[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]...
1.18.1.2
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.[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>>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...
MTMTLAVYGKGGIGKSTTSCNISVALAKRGKKVLQIGCDPKHDSTFTLTGFLIPTIIDTLQEKDFHYEDIWPEDVIYKGYGGVDCVEAGGPPAGAGCGGYVVGETVKLLKELNAFDEYDVILFDVLGDVVCGGFAAPLNYADYCLIVTDNGFDALFAANRIAASVREKARTHPLRLAGLIGNRTSKRDLIEKYVSHVPMPVLEVLPLIEDIRVSRVKGKTLFEMAEGDSMLDYVCDFYLNIADQVLAAPEGVVPSEASDRELFSLLSDYYLNPPVEKTQEDELDLMMV
0
265
30,495
UN
30,495
Q0IIF9
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
MASPGLPQPPTEDAAWPLRLLHAPPGLLRLDPTGGALLLLVLAALLGWSWLWRLPERGIPPGPAPWPVVGNFGFVLLPRFLRRKSWPYRRARNGGMNASGQGVQLLLADLGRVYGNIFSFLIGHYLVVVLNDFHSVREALVQQAEVFSDRPRVPLTSIMTKGKGIVFAHYGPVWRQQRKFSHSTLRHFGLGKLSLEPKIIEEFRYVKEEMQKHGDAPFNPFPIVNNAVSNIICSLCFGRRFDYTNSEFKQMLNFMSRALEVCLNTQLLLVNICSWLYYLPFGPFKELRQIEKDLTLFLKKIIKDHRESLDVENPQDFIDM...
0
266
82,167
UN
82,167
D4I2N1
CN1C(=O)C2=CC=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)C(=O)[O-].O=O>>CN1C(=O)C2=C(O)C=CN2C=C1CCCNC(N)=[NH2+].O=C([O-])CCC(=O)[O-].O=C=O
null
Cn1c(CCCNC(=N)N)cn2cccc2c1=O.O=C(O)CCC(=O)C(=O)O.O=O>>Cn1c(CCCNC(=N)N)cn2ccc(O)c2c1=O.O=C(O)CCC(=O)O.O=C=O
MNPADLPDTLDVAPLTGETGEPCSFGILIKPCRAGRHIGELSVTWLRALVYSHQLVVLRGFDHFASSDSLTRYCATFGEIMMWPYGAVLELVEHANPDDHIFANSYVPLHWDGMYLDTVPEFQLFQCVHAAGDMQGGRTTFSSTNAALRIATPAVRELWARAHGRYQRSVELYSNTVEAPIIGIHPLREFPVIRFCEPPDENDATFLNPSSYSFGGINKDEEEMLLVSLMKTLRDPRVYYAHQWQTGDFVLSDNLSLLHGREQYTHHSGRHLRRVHIHGRPQIANHHLVRSE
0
267
79,219
UN
79,219
Q5AR53
CSC1=NC(CCC(=O)[O-])=C(O)N1.[H]O[H]>>O=C([O-])CCC1NC(=O)NC1=O.CS
null
CSc1nc(CCC(=O)O)c(O)[nH]1.O>>CS.O=C(O)CCC1NC(=O)NC1=O
MGYPKAFTSSDSEPEPDLSRDLGNPVMGNPGVVSRSSSTVAQHSVRNNPTGPDGRLAGLWNARALLRFPAEVNGVRLDFKSVSSRRPTSRLSLLPYSLCSICPSSQATMTSKDHVKSQIPRLSAINDLHKIWPTVEEHGAAIIESFLSLDIVRRLNEEVDPFVKIEPIPAAKTKDHPNHVLSTTTRLVNVLAPISKAYREDVLNSKVLHRICSDAFHVYGDYWVLMGAVMELAPSNPAQPLHRDMRFSHPIVEYLKPDAPATSINFLVALSPFTAENGATHVILGSHKWQNLSNVSMDATVRALMNPGDALLITDSTIHC...
0
268
80,323
UN
80,323
C0ZP17
[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]...
MGWTDSLPAGSAEQVSALLDRATEFDGKAPVSEQGRHAVAGRGAARHFVELDGDTVVGYAQLQAGSDEHPDMAELVVDPQARRRGIGTRLAAAVFDEGRPGTRVWAHGNVDAAVEFAKSLDLVSVRELLQLRRPLDAPQLPEIVVPEGVTMRTYRGPEDDSEILRVNNAAFSWHPEQGGWTQAEIDERTAEGWFDPAGLFMAFADTDPDTLLGFHWTKVHAPEGDDPELGEVYVVGIDPAAQGRGLGRVLTLAGMHYLRDRGLGTVLLYVEGDNTAALHTYERLGFDRFHVDMAYARAL
0
269
81,375
UN
81,375
Q5AKB1
*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
MKYSILAILAHLLTNIKATQEVFTLSDLPPDSCPIDSPISCSKNAQELENVNSCCYESPAGVILLTQFWDYNPATGPDNLFTQHGLWGNMCSYGYPQFCDPSLEINPNGEIIRSIIVDQFGDEELYNNMSYSWKDYHGKDSSFWAHEYNKHGTCFSTIKPSCYLSNTPKNQNLYDFFRIAIGLFNKLPTYDWLAEAGIVPTNSKTYSLSEIQSALNDKFGANVFIKCDYNHAINEIWYYHHVKGSLLQHNFLPIDSVAHTNCPSTGIKYPPKGKVAHPTLTTKTTTGTSTTIHNPTGIPARSYVHLSGKSGCLISNGKWY...
0
270
81,995
UN
81,995
Q5VMI0
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...
MPSSGDAAGRRPHVVLIPSAGMGHLVPFGRLAVALSSGHGCDVSLVTVLPTVSTAESKHLDALFDAFPAVRRLDFELAPFDASEFPSADPFFLRFEAMRRSAPLLGPLLTGAGASALATDIALTSVVIPVAKEQGLPCHILFTASAAMLSLCAYFPTYLDANAGDGGGVGDVDIPGVYRIPKASIPQALHDPNHLFTRQFVANGRSLTSAAGILVNTFDALEPEAVAALQQGKVASGFPPVFAVGPLLPASNQAKDPQANYMEWLDAQPARSVVYVSFGSRKAISGEQLRELAAGLETSGHRFLWVVKSTVVDRDDAAEL...
0
271
56,376
UN
56,376
A0A0K2JKU1
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
MVDRDIRIAVVGAGVAGLTVAALLRDRGVDCRVFERAPRLVAVGAGIQLSPNGVRVLHGLGLRDSLAATGVRARAIETRSWADGAPIARTPLGDRCEELYGAPYYLIHRADLHRCLTSLLPASAVELGRACARVEERPDAVRLHFTDGTMADADLVIGADGVHSVVRRSVVRDAPRYAGYAVHRGLVPASVVPSFRDDPRVMFWLGPGRHVTYYPVAGGRTVHFSAVGVSPEESPGGGPEDLGAAFGHWHEEVRRVVTSASSVTRWGLYDRDIPDRYATGRVVLLGDAAHPTLPYLSQGANQALEDVTTLVGCLDARPGA...
0
272
76,107
UN
76,107
Q39103
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
MPAMLTDVFRGHPIHLPHSHIPDFTSLRELPDSYKWTPKDDLLFSAAPSPPATGENIPLIDLDHPDATNQIGHACRTWGAFQISNHGVPLGLLQDIEFLTGSLFGLPVQRKLKSARSETGVSGYGVARIASFFNKQMWSEGFTITGSPLNDFRKLWPQHHLNYCDIVEEYEEHMKKLASKLMWLALNSLGVSEEDIEWASLSSDLNWAQAALQLNHYPVCPEPDRAMGLAAHTDSTLLTILYQNNTAGLQVFRDDLGWVTVPPFPGSLVVNVGDLFHILSNGLFKSVLHRARVNQTRARLSVAFLWGPQSDIKISPVPKL...
0
274
80,299
UN
80,299
Q6YTF1
[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
MENSQMWLLWGALSVALFFYFSTLRRRYAGGKPLPPGPTPLPLIGNLHLVGGGTFHHKLRDLARVHGPVMTLKLGLATNVVISSREAAIEAYTKYDRHLAARATPDTFRACGFADRSMVFIPSSDPQWKALRGIHASHVFTPRVLAAVRPIRERKVGDLIAYLRAHAGEEVLVGHAMYTGILNMVSFSYFSVDIVDMGSQMARELREVVDDIILVVGKPNVSDFYPFLRPLDLQGLRRWTTKRFNRVFSIMGDIIDRRLAHIRDNKPRHDDFLDSILELMAAGKIDRVNVLNMLFEAFVAGADTMALTLEWVMAELLKNP...
0
275
76,995
UN
76,995
A6YGA4
[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.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+]>>[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]...
1.18.1.2
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.[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>>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...
MKLAVYGKGGIGKSTTSCNISIALARRGKKVLQIGCDPKHDSTFTLTGFLIPTIIDTLQSKDYHYEDVWPEDVIYQGYGGVDCVEAGGPPAGAGCGGYVVGETVKLLKELNAFYEYDVILFDVLGDVVCGGFAAPLNYADYCIIVTDNGFDALFAANRIVASVREKARTHPLRVAGLVGNRTDARDLIDKYVEVCPMPVLEVLPLIEDIRISRVKGQTLFEIAETQTAVSYVCDYFLNIADQLLSQPEGVVPNELGDRELFSLLSDFYLNPTSNSEKNANISGLEPDSLDFLIV
0
277
79,532
LR
79,531
A0A0Q3NN41
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
MKNIALIFAGGTGQRMNLISGMPKQFLLINDKPIIIHTLEIFSKHQEIDGIVVVCLKEYINDLHCSIKQYSIKKIISIVEGGDTGQKSIFNGLDSIKKYSKINPYIVIHDGVRPLITHDEISKGLSCAYLKGNAISISKATETILYNEQEASILNRDKCFHVKAPQIFQFQDIYNLHMMAQKDCFEFIDSASMASHYGKELYFVECSNNNIKLTTPKDFYMVQALMQAQTIESIFGV
1
278
79,255
UN
79,255
A0A3G9GX61
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
MQNLGASMDNNKKFKVVIVGGSIAGLTLAHCLSKFGIDYVVLEKRREIAPQEGASVGIMPNGGRVLEQLGLFDDVERAIEPLSVAQLVYPDGFCSESEYPKKLCERFGFPLAFLDRQMLLESLYANLPDITRVKTNSAVIAVEHEDDRVRVLTTDNCSYEGHLVVGADGIHSTIRKEMWRAASSLHQGQVEDTNSMMNITYACVYGISSAHPLLKPGQQITCFNDGWSILSVVGKNGRTFWFLFLKLEREYKYNEAPKYTKEDAIANCDRLSAHTFWDTVTFGDVWSRREVFTMTPLEEGVFEQWSCGRIVCIGDSMHKF...
0
279
56,352
UN
56,352
P05182
[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
MAVLGITIALLVWVATLLVISIWKQIYNSWNLPPGPFPLPILGNIFQLDLKDIPKSFTKLAKRFGPVFTLHLGSRRIVVLHGYKAVKEVLLNHKNEFSGRGDIPVFQEYKNKGIIFNNGPTWKDVRRFSLSILRDWGMGKQGNEARIQREAQFLVEELKKTKGQPFDPTFLIGCAPCNVIADILFNKRFDYNDKKCLRLMSLFNENFYLLSTPWIQLYNNFADYLRYLPGSHRKIMKNVSEIKQYTLEKAKEHLQSLDINCARDVTDCLLIEMEKEKHSQEPMYTMENVSVTLADLFFAGTETTSTTLRYGLLILMKYPE...
0
280
47,045
LR
47,044
Q92NF6
C[N+](C)(C)CC(=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(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[N+](C)(C)C.CC(=O)CC(=O)[O-]
2.3.1.317
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[N+](C)(C)CC(=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)C[N+](C)(C)C
MPLSMNREVFITCAVTGAGDTVSKSSHVPVTPKQIAESAIEAAKAGAAVVHCHVRDPETGAPARRLDLYREVTDRIRSADIDVVLNLTAGMGGDLVFGNVESPFPVDEKGTDMAGATERVAHVAECLPEICTLDCGTMNFSLGDYVMTNTPSMLREMARQMTALGVRPEIEAFDTGHLWFAKQLAEEGLIEDPVLIQLCMGIPWGAPDDLNTFMAMVNNVPSNWTFSAFSIGRNAMAYPAAAVLAGGNVRVGLEDNLYVGKGQLATNAQLVEKAVSVVESMGAKIIGPEEVRRKLKLTKR
1
281
76,427
UN
76,427
Q99028
CCCC[C@H](O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.*>>CCCCC(=O)C1=C(CO)C2=C(C=C1)C[C@H](C(C)(C)O)O2.[H]*[H]
null
CCCC[C@H](O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2>>CCCCC(=O)c1ccc2c(c1CO)O[C@@H](C(C)(C)O)C2
KERAMHVGRKKGQIVDTVVQEQRPSVLLELGAYCGYSAVRMARLLLPSARLLTIELNPDNAAIAQQVVDFAGLQDRVTVVVGASQDIIPQLKKKYDVDTLDMVFLDHWKDRYLPDTLLLEECGLLRKGTVLLADNVICPGAPDFLAHVRGCGRFECTHFSSYLEYSQMVDGLEKAVYKGPGSPAQP
0
282
51,636
UN
51,636
P85097
O=[Se]([O-])[O-].[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O.[H]O[H]>>O=[Se](=O)([O-])[O-].[1*]C1=C(O)C([4*])=C([3*])C(O)=C1[2*]
1.97.1.14
O.O=[Se](O)O.[1*]C1=C([2*])C(=O)C([3*])=C([4*])C1=O>>O=[Se](=O)(O)O.[1*]c1c([2*])c(O)c([3*])c([4*])c1O
FSPIDRYNDNHTQETYEDREWENVYRSTHGVNCTGSCSWKDGIVTWEGQELNYPTTGPDMPDFEPRGASYSWYLYSANRGVLWSMWQEELQNNESPLDAWKSSWQEVNELIAASNVYTVKTYGPDRVAGFSPIPAMSMVSYASGARTPDAHFFTEVRVVSVSPDFAESTKLCDLWLAPKQGTDAAMALAMGHVMLREFHLDNPSDYFLNYCRQYTDFPFLVTLSKQKGDQFVADRAADLVDALGQENNPEWKPVLWNENTNDFATPHGTMGSRGKWNLEQRLEDEETGEKLSVLGIEDEIGTVRLQLADGSTALVTTVYD...
0
284
79,063
UN
79,063
Q31BD0
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
MLSESLTKTKLTDPLILELLQNIREHRSMLEDLKSIKVDPELSNIISNEIGRELYIENEFHKARGFRKLHIEVAEFSKNLKILHCVFFPDPKFDIPIFGMDLVKINDIVSAAIVDLSPASQNQGVKYEKFLSKVDKSSFTSLREIPKWGEIFSENVFFASLKSKSEENDFCKVVDEYLSILIKLSKEAKPEFKEEIIKERKNYQKNYCVQQMKNEKTSMVLLKYFDEKWVNNYIKTVLFDF
0
285
79,055
UN
79,055
Q7V586
CCC1=C(C)C(CC2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(CC4NC(=O)C(C)=C4CC)N3)N2)NC1=O.*.*.*.*>>C=CC1=C(C)/C(=C/C2=C(C)C(CCC(=O)[O-])=C(CC3=C(CCC(=O)[O-])C(C)=C(/C=C4\NC(=O)C(C)=C4C=C)N3)N2)NC1=O.[H]*[H].[H]*[H].[H]*[H].[H]*[H]
null
CCC1=C(C)C(Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O>>C=CC1=C(C)/C(=C/c2[nH]c(Cc3[nH]c(/C=C4\NC(=O)C(C)=C4C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
MFDPLLEKLHSSIRIQGGETAAVPDGLRECRNEKKNSWIRSWLWQVPGFRRWRVSRLDAGESLQVLNSVAYPNYNIDQPLMGLDLLWFGKRQKLVAILDFQPLIQDQSYLERHFQGLKTLQNRFPELSGEETMRLFDPNQYFSPWLLFCRGGAEKATNSLPEAFNAFLHCYWELHQQNSDKASLIPAAEVKQLQIAYDIYSAERDPAHGLFTSHFGKAWSDRFLHEFLFPASTKADSSPPADADDDLPR
0
286
76,143
UN
76,143
Q84UB5
[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N[C@@]43O1)[C@@H]2C(=O)OC.C[S+](CC[C@H]([NH3+])C(=O)[O-])C[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1O>>[H][C@]12C[C@]3([H])N(C/C1=C/C)[C@]1([H])C[C@]4(C5=C(C=CC=C5)N(C)[C@@]43O1)[C@@H]2C(=O)OC.NC1=NC=NC2=C1N=CN2[C@@H]1O[C@H](CSCC[C@H]([NH3+])C(=O)[O-])[...
null
C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.C[S+](CC[C@H](N)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O>>C/C=C1/CN2[C@@H]3C[C@@]45c6ccccc6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O
MEVVEVLHMNGGNGDSSYANNSLVQQKVILMTKPITEQAMIDLYSSLFPETLCIADLGCSLGANTFLVVSQLVKIVEKERKKHGFKSPEFYFHFNDLPGNDFNTLFQSLGAFQEDLRKHIGESFGPCFFSGVPGSFYTRLFPSKSLHFVYSSYSLMWLSQVPNGIENNKGNIYMARTSPLSVIKAYYKQYEIDFSNFLKYRSEELMKGGKMVLTLLGRESEDPTSKECCYIWELLAMALNKLVEEGLIKEEKVDAFNIPQYTPSPAEVKYIVEKEGSFTINRLETSRVHWNASNNEKNGGYNVSRCMRAVAEPLLVSHFD...
0
287
79,535
UN
79,535
A4VMU6
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@@H](O)CO)[C@@H](O)[C@H]2O)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)([O-])[O-])[C@@H]3O)[C@@H](O)[C@H]2O)=C1>>NC1=NC(=O)N([C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])OC[C@@H](O...
null
NC(=O)c1ccc[n+]([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)c1.Nc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO)[C@@H](O)[C@H]2O)c(=O)n1>>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...
MAVYNYDVVVLGSGPAGEGAAMNAVKAGRKVAVVDNRPLVGGNCTHLGTIPSKALRHSVRQIMQYNTNPLFRQIGEPRWFSFPDVLKSAEKVISKQVTSRTSYYARNRIDTFFGTASFSDEQSVEVVCLNGMVEKLVANQFVIATGSRPYRPADIDFNHPRIYDSDTILTLSHTPRRMIIYGAGVIGCEYASIFSGLGVLVDLIDNREQLLSFLDDEISDALSYHLRNNNVLIRHNEEYERVEGLENGVILHLKSGKKIKADAFLWSNGRTGNTDKLGLENIGLKANSRGQVQVDEHYRTEIGNIYAAGDVIGWPSLASA...
0
288
13,961
UN
13,961
Q3AWT6
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)...
MSGPTLLKESGPREVFCGLTSIVWLHRRMPDAFFLVVGSRTCAHLIQSAAGVMIFAEPRFGTAILNERDLAGLADAQEELDRVAKELLQRRPEIRTLFLVGSCPSEVIKLDLSRAAERLTDELQGRVRVVNYSGSGIETTFTQGEDGALAALIPFLPSSDERQLLLVGTLADAVEDRLVHLFNKLNINAIKSLPPRQSTDLPAVGPGTTVLLTQPYLTTTARLLKDRGARVLTAPFPLGAEGSRRWMETAARDFEVDEAQIDSVLSPLMERAQIALAPHREVLKGKRIFLLPESQLELPLARFLQRECGMELVEVGTPYL...
0
289
65,772
UN
65,772
P10612
CC(C)C1=CC=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(C(C)C)C=C1.[H]C([H])=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H]
null
CC(C)c1ccc(NC(=O)N(C)C)cc1.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>C=O.CNC(=O)Nc1ccc(C(C)C)cc1.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MLARGLALRSVLVKGCQPFLSAPRECPGHPRVGTGEGACISTKTPRPFSEIPSPGDNGWINLYRFWKEKGTQKIHYHHVQNFQKYGPIYREKLGNLESVYIIDPEDVALLFKFEGPNPERYNIPPWVAYHQHYQKPVGVLLKKSGAWKKDRLVLNTEVMAPEAIKNFIPLLDTVSQDFVGVLHRRIKQQGSGKFSGDIREDLFRFAFESITNVIFGERLGMLEEIVDPEAQKFIDAVYQMFHTSVPMLNLPPDLFRLFRTKTWRDHVAAWDTIFNKAEKYTQNFYWDLRRKREFNNYPGILYRLLGNDKLLSEDVKANVT...
0
290
70,803
UN
70,803
A6YB01
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
MSLNLAALAQAANEARGLGMDAVEKAASGHLGLPLGCAELGATLFGHAFRYNPDKPEWLNRDIFVLSAGHGSMFLYAWLHLSGYKVSLDDIKQFRQLSSTTPGHPEFRDTPGVEATTGPLGQGVGNGLGYAVACKMAQAHFNTKDHKIFDQKVVVLAGDGCLQEGVAQEASALAGHLHLDNLIIFYDSNDVTLDAMAIESQSEDTAKRYEAYGFEVVTVKEGHNIERILEAYEHAKNSTSGKPQLIILKTTIAKGITEVAGTNKGHGEAGVKFVAAARKGLGLPEEKFFVSKGTRDYFQAHKEKLQKEYASWEKLYSEWR...
0
291
33,087
UN
33,087
D4GL26
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
MVNLVIVSHSAMLGEGVEMLARQMLTGDNCRIAVAAGIDDPDHPIGTDPIKVMEAIEAVADTDHVLVMMDMGSALLSAETALDLLDPVIAEKVRLCAAPLVEGTLAATVSAAAGADIDTVIDVAMNALAAKQAQLGITPPAHAASLPAQAPDSDARSVTVTIRNHHGLHVRPASRLVAALAGMNADLVLEKQGQCVKPDSLNQIALLQVRCHDAVTLSASGPDAERALAAFESLAAEDFGEHPESMALKTSASTVEKVQGKAVFYPLPLAQPARHPCSDVGQEERRLQQAIVDTLNDLNALAALAEKKYGASVAAIFSGH...
0
292
78,523
UN
78,523
O97859
[H][C@@]1([C@H](O)[C@H](O)CO)OC(C(=O)[O-])=C[C@H](O)[C@H]1NC(C)=O.[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]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1O.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
MEEVTSCSFSSPLFQQEDKRGVTYRIPALIYVPPAHTFLAFAEKRSSSKDEDALHLVLRRGLRTGQSVQWEPLKSLMKATLPGHRTMNPCPVWERKSGYVYLFFICVQGHVTERQQIMSGRNPARLCFICSQDAGYSWSDVRDLTEEVIGPEVTHWATFAVGPGHGIQLQSGRLIIPAYAYYIPFWFFCFRLPYRARPHSLMIYSDDLGATWHHGRLIKPMVTVECEVAEVIGKAGHPVLYCSARTPNRHRAEALSIDHGECFQKPVLSHQLCEPPHGCQGSVVSFCPLEIPGGCQDLAGEDAPAIQQSPLLCSSVRPEP...
0
293
80,199
UN
80,199
C4TP09
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@...
MRTQVGIIGAGPAGLLLSHLLYLQGIESIIIENRTREEIEGTIRAGVLEQGTVDLMNQMGVGARMMKEGHFHEGFELRFNGRGHRINVHELTGGKYVTVYAQHEVIKDLVAARLQTGGQIHFNVGDVSLHDVDTSSPKIRFRPNKDGELQEIECDFIAGCDGFRGPSRPAIPQSVRKEYQKVYPFSWLGILVEAPPSAHELIYANHERGFALVSTRSPQIQRLYLQVDAQDHIDNWSDDRIWSELHARLETRDGFKLLEGPIFQKGIVSMRSFVCDPMQHGRLFLAGDAAHIVPPTGAKGLNLAAADVQVLARGLEAYYK...
0
294
75,771
UN
75,771
P33266
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)[O-].[H]O[H]>>CC/C=C\C/C=C\C[C@@H](O)CCCCCCCCC(=O)[O-]
null
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.O>>CC/C=C\C/C=C\C[C@@H](O)CCCCCCCCC(=O)O
LFQLELKNIPKSFTRLAQRFGPVFTLYVGSRRVVVVHGIKAVKEVLPGPQGRVLGQRRHPAFHAHRDRGIIFNNGPTWKDIRRFSLTTLRNYGMGKQGNESRIQREAHFLLEALRKTQGQPFDPTFLIGCAPCNVIADILFRKRFDYNDEKFLRLMYLFNENFQGLSCPWLQLYNNFPSLLHYLPGSHRKVMKNVAEIKEYVSERVKEHHQSLDPNCPRDLTDCLLVEMEKEKHSAERLYTMDGITVTVADLFFAGTETTSTTLRYGLLILMKYPEIEEKLHEEIDRVIGPSRIPAIKDRQEMPYMHAVVHEIQRFITLV...
0
295
80,947
UN
80,947
A8ZUS7
*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
MSKLDFVEAELEKRRAASRLRTLRPVAPADGAAVTINGARLLNVCSNDYLGLSCHPLLVERAQAFAAQWGAGATASRLVCGNYTCFDRVEEKLARLKQTPAALVLNSGYQANTTLLPALCDRDSLILSDRLNHNSIIMGCRLARCAVTLFDHNDPAHLEKLLVETANRGFSRRLIVTESVFSMDGDCCDMDALAGLAQAHDALLMVDEAHATGVFGEQGMGLTCGKPVDVVMGTFGKGCGSFGAYVACSSALRDFFVNRCAGFIYSTGLPPAVLGSIDAALDLVPAMDAERQTLLDNAAHLRVRLATFGFDTGASSSQIL...
0
296
74,071
UN
74,071
A5UG81
*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]...
MYQFQQDNQYFIFNFDRTFDQATEFFQAEFWQKQERVIGSAKGRGTTYFLQTEDWFGVNCALRHYYRGGLWGKLNKDRYRFSDLETTRSFAEFHLLQRLYEAGFPVPKPIAARIQKGKLGICYQADILTEKIENAQDLTALLQTQTLPKETWTQIGRLIRKLHDLQICHTDLNAHNILLQQIEQEQKCWLLDFDKCGEKSGDFWKVQNLNRLKRSFEKEIRRMNIQFTEQNWADLTAAYHQ
0
297
77,751
UN
77,751
P51044
C/C=C/CCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)([O-])OP(=O)([O-])OC[C@H]1O[C@@H](N2C=NC3=C2N=CN=C3N)[C@H](O)[C@@H]1OP(=O)([O-])[O-].O=C([O-])CC(=O)C(=O)[O-].[H]O[H]>>C/C=C/CCCCC/C=C/C(C(=O)[O-])C(O)(CC(=O)[O-])C(=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...
null
C/C=C/CCCCCC/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O.O.O=C(O)CC(=O)C(=O)O>>C/C=C/CCCCC/C=C/C(C(=O)O)C(O)(CC(=O)O)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
MASTLRLGTSALRSSSIAAKPVVQSAAFNGLRCYSTGKAKSLKETFAEKLPAELEKVKKLRKEHGSKVIGEVTLDQAYGGARGVKCLVWEGSVLDSEEGIRFRGRTIPECQELLPKAPGGQEPLPEGLFWLLLTGEIPTEQQVRDLSAEWAARSDLPKFIEELIDRCPSTLHPMSQFSLAVTALEHESAFAKAYAKGINKKDYWNYTFEDSMDLIAKLPTIAAKIYRNVFKDGKVAPIQKDKDYSYNLANQLGYGDNNDFVELMRLYLTIHSDHEGGNVSAHTTHLVGSALSSPMLSLAAGLNGLAGPLHGLANQEVLNW...
0
298
81,131
UN
81,131
L7X3S1
COC1=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=CC(OC)=C1O.CC1=C(C)C=C2C(=C1)NC1=C(NC(=O)NC1=O)N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].O=O>>COC1=C2OCOC2=CC(C[C@H]2C[NH2+][C@@H](CC3=CC=CC=C3)CN2)=C1.CC1=C(C)C=C2C(=C1)/N=C1/C(=O)[N-]C(=O)N=C1N2C[C@H](O)[C@H](O)[C@H](O)COP(=O)([O-])[O-].[H]O[H].[H]O[H].[H+]
null
COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc(OC)c1O.Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2.O=O>>COc1cc(C[C@H]2CN[C@@H](Cc3ccccc3)CN2)cc2c1OCO2.Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c2cc1C.O.O
MRTESIKTNRPMDLLLQYLQPISVALVVIALVWNYGRRNPTKKLAPEASGGRPIMGHLHLFNDGELTHRKLGAMADTYGPVFNIRFGSHKTLVVSDWEIVKECFTTNDKLFSNRPGTLGIKLMFYDADSVGYAPYGAYWRDLRKISTLKLLSNHRIDTIKHLRSSEVESCFESLYSQWGNGEKSGEFAPVRMDSWLGDLTFNVVARIVAGKKNFSANGDVGAQRYKAAMDEAMRLMRFFAFSDVIPSLSWLDNLRGLVREMKKCASEIDSIMATWVEEHRVKRNSGGNSQLEHDFIDVCLDIMEHSSLPGDDPDLVVKST...
0
299
46,572
UN
46,572
E3PZS3
*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1.O=O.[H+].[H+]>>*N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1.[H]O[H].[H]O[H]
1.14.19.40
*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCCC)C(*)=O.O=O.S1[Fe]S[Fe+]1.S1[Fe]S[Fe+]1>>*N[C@@H](COP(=O)(O)OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)CCCC=C)C(*)=O.O.O.S1[Fe+]S[Fe+]1.S1[Fe+]S[Fe+]1
MELHLALRASPLPAADPGRRPPPPRGNFATNCTAAINSTHISQEKFRSLDSWVEHNMLTFLKPVEKCWQPQDFLPDPSHLSAEELGDAVREIHERAAEIPDEVWVCMVGNMVTEEALPTYQSLISSVLGGTVAGSTPWDRWIRGWSAEENRHGDLLNKYLYLTGRLDMRQVEKTIQYLIGSGMDVGVGNSILCGFIYTCFQEKATFIPHGNTARLAKHHGDTTLAKICGLVAADEKRHAAAYTNLMRKLFEVDPNESMLAFAHVMQARVTMPASRMFDGRDPHLFTHFSDVSQKIGVYTVGDYSEMLDFFLKEWDISAIV...
0
301
66,956
UN
66,956
P9WMZ3
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)([O-])OP(=O)([O-])O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.NC1=NC2=C(N=CN2[C@@H]2O[C@H](COP(=O)([O-])OP(=O)([O-])O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)...
2.4.1.378
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\CC/C(C)=C\COP(=O)(O)OP(=O)(O)O[C@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H]1O.Nc1nc2c(ncn2[C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)c(=O)[n...
MSRVLLVTNDFPPRRGGIQSYLGEFVGRLVGSRAHAMTVYAPQWKGADAFDDAARAAGYRVVRHPSTVMLPGPTVDVRMRRLIAEHDIETVWFGAAAPLALLAPRARLAGASRVLASTHGHEVGWSMLPVARSVLRRIGDGTDVVTFVSSYTRSRFASAFGPAASLEYLPPGVDTDRFRPDPAARAELRKRYRLGERPTVVCLSRLVPRKGQDTLVTALPSIRRRVDGAALVIVGGGPYLETLRKLAHDCGVADHVTFTGGVATDELPAHHALADVFAMPCRTRGAGMDVEGLGIVFLEASAAGVPVIAGNSGGAPETVQ...
0
302
80,255
UN
80,255
A1A1W7
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....
MLERETMSDQNRLVLAYSGGLDTSVAISYLKERTGKDVVAVSLDVGQGGESLETIKQRALACGAVEAYVVDARDEFANEYCMKALKANAMYEGVYPLVSAISRPLISKHLVRAAHQFGADTISHGCTGKGNDQVRFEVSIASIDPTLKAISPIRDLSLTRDVEIAFAKEHKLPIVQTEKSPFSIDQNVWGRAIETGFLEDPWNGPTKDCYSYTDDPAFPPVEDEVVIEFKQGVPVKIDGHDVTPLQAIEEMNRRAGAQGIGRIDLIEDRLVGIKSRELYEAPGAVALITAHQELENCCLEREQHRIKRDIDKRWAELVYD...
0
303
22,480
UN
22,480
P27463
[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...
MKKQGSPSNPAPVLPALPEPLKDLKIKYTKIFINNEWHDSVSGKKFEVFNPANEEKICEVAEGDKADIDKAVKAARKAFELGSPWRTMDASERGRLLNKLADLVERDRLTLATMEAIDGGKLFSTAYLMDLGACIKTIRYCAGWADKIHGRTVPMDGNFFTFTRHEPVGVCGQIIPWNFPLVMFIWKIAPALCCGNTVVVKPAEQTPLSALYMGSLIKEAGFPPGVVNIVPGFGPTAGAAISHHMDIDKVSFTGSTEVGKLIKEAAGKTNLKRVTLELGGKSPNIIFADADLDEAAEFAHIGLFYHQGQCCIAGSRIFVE...
0
304
78,483
UN
78,483
A5VQP4
[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
MQAQSLAEVTVISKAAAVIVAAGRGERAGQSAEGPKQYRLIGAEAVLARTLRAFTDCPLIGTIAVVIHPDDHALYRRAVPEKHENVILVTGGPTRQESTRLGLLALKDEAPQYVLIHDGVRPFIGQDLLERIIANLTPDNGVLPALAVSDTLKRAAADGMVETTISRTGLFAAQTPQAFPYAPILDAHEKAFAINRTDFTDDAAIAEWQEIAVRIIEGSADNTKLTWAKDIEMADKRLRQDHAVFPDIRTGNGYDVHSFEPGDHVTLCGVKIPHEAKLNGHSDADVALHALTDALLATRGAGDIGTHFPPSDPQWKGAAS...
0
305
80,879
UN
80,879
A0A2K8FQU5
[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.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@]1(CC/C(C)=C/CC2=C(O)C=C(C)OC2=O)C(=C)CC[C@@]2([H])C(C)(C)[C@@]([H])(OC(C)=O)CC[C@]12C.CC(C)(COP...
null
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.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]2C(C)(C)[C@@H](OC(C)=O)CC[C@]2(C)[C@H]1CC/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)nc...
MASKMVEIVSKMFIKPSSPTPQSLRRYNLSSIDQTIDSEVTSLAFFYTYNPSHESSKIGDLLKNSLSKTLVSYYQFAGRLIENDYIDCNDEGVEFVEVRIHGRMNDILKRGKSFATDLVLPTRIIALHEDSLLIVQLSHFDCGGIAIGFGASHKVSDGVSNVMFMKDWASSTSLSTFHKPTPLLTADSIFPPEDNKLLSNKSIVSFQQCLGKRFVFSTEAIEKLKSKAIEYGIQKPSRVEVVTAFLCQCAANCDLPRKKPYAIISAVNLRPYLALPQNSIGNIFSFYFCINDEGMDNQFSALISKLRNGKQKLLENIISK...
0
306
81,159
UN
81,159
Q99L04
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...
MVAPMKGQVCVVTGASRGIGRGIALQLCKAGATVYITGRHLDTLRATAQEAQSLGGRCVPVVCDSSQESEVKSLFEQVDREQKGRLDVLVNNAYAGVQAILNTTNKSFWEVPASIWDDINNVGLRGHYLCSVYGARLMVPAGKGLIVIVSSPGGLQHMFNVPYGVGKAACDRLAADCAHELRRHGVSYVSLWPGLVQTEMVKEFMAKEDTPEDPLFKKMKPDFSSAESPEMSGKCVVALATDPNILNLSGKVLPSCDLARRYGLKDIDGRPVKDYFSLGYALSQVSSLGWLNSFLPGFLRVPKWVVTLYNSKF
0