Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
753
Q3YA36
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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RKPKTGILMLNMGGPETLGDVHDFLLRLFLDRDLMTLPIQNKLAPFIAKRRTPKIQEQYRRIGGGSPIKIWTSKQGEGMVKLLDELSPNTAPHKYYIGFRYVHPLTEEAIEEMERDGLERAIAFTQYPQYSCSTTGSSLNAIYRYYNQVGRKPTMKWSTIDRWPTHHLLIQCFADHILKELDHFPLEKRSEVVILFSAHSLPMSVVNRGDPYPQEVSATVQKVMERLEYCNPYRLVWQSKVGPMPWLGPQTDESIKGLCERGRKNILLVPIAFTSDHIDTLYELDIEYSQVLAKECGVENIRRAESLNGNPLFSKALADL...
4KLA_1_k12
0
-4.4
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444205
P35475
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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1IGZ_2_k12
0
-4.4
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s511
P00396
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CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCC2=C(O)OC3C=CC=CC3=C2)[C@H]1OC(C)O
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5EXO_1_k12
2
-5.8
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753
Q40280
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2WJ6_1_k12
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s849
Q07982
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7H4U_2_k12
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753
Q16539
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3MGA_1_k12
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5232593
P0DTC1
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
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4OWM_3_k12
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445395
Q28943
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7LJT_3_k12
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679
Q9KHT7
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s707
P21836
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4BUF_1_k12
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15906
P00720
[SH0][Branch1][Branch1][CH2][CH2][OH0][H][SH0][CH2][CH2][OH0][H]
OCCSSCCO
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5KHZ_1_k12
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78225628
P18031
[CH2][Branch1][=N][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCNC1CCCCC1
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4U3S_1_k12
0
-3.6
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444205
P31224
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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7B8E_3_k12
0
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s17
P32882
[NH0][Branch1][=C][CH2][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][Ring2][Ring1][Ring1]
OCCN1CCN(CCS(O)(O)O)CC1
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8R8E_4_k12
0
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445905
P77258
[C@][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Ring1][OH0][H][CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][S]
O=C(O)[C@]1(O)C=C[C@@H](O)[C@H](O)C1
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RSLANAPIMILNGPNLNLLGQRQPEIYGSDTLADVEALCVKAAAAHGGTVDFRQSNHEGELVDWIHEARLNHCGIVINPAAYSHTSVAILDALNTCDGLPVVEVHISNIHQREPFRHHSYVSQRADGVVAGCGVQGYVFGVERIAALAGRSLANAPIMILNGPNLNLLGQRQPEIYGSDTLADVEALCVKAAAAHGGTVDFRQSNHEGELVDWIHEARLNHCGIVINPAAYSHTSVAILDALNTCDGLPVVEVHISNIHQREPFRHHSYVSQRADGVVAGCGVQGYVFGVERIAALAG
1GU1_1_k12
1
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s428
Q9UFN0
[CH0][=CH0][CH0][=Branch2][Branch1][=C][=CH0][Branch2][Ring1][Branch1][NH0][Branch1][C][H][C@H1][NH0][Branch1][C][H][NH0][Branch1][C][CH3][CH0][Branch1][C][CH3][=CH1][Ring1][Branch2][NH0][Branch1][C][H][CH1][Ring1][P][NH0][Branch1][Ring1][CH2][CH3][CH0][Branch2][Ring1][C][CH0][Branch1][=C][NH0][Branch1][=Branch1][C@H1]...
CCN1C(C(=O)N(C2CC2)C2CC2)=CC2=C3C(=C(N[C@@H]4C=C(C)N(C)N4)NC21)NCN3C
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79025
P04746
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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3OLG_2_k12
0
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6503
P00740
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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8OL9_2_k12
0
-3
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90655273
I3R9M9
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OS(O)(O)CCN1CCOCC1
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2IVF_3_k12
0
-4.5
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s666
P76077
[C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][O][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][C@@H1][Branch2][Ring1][#Branch1][CH2]...
CCO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1OP(=O)(O)O
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4IIT_1_k12
1
-8.6
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174
P68400
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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KAPSHVPFLLIGGGTAAFAAARSIRARDPGARVLIVSEDPELPYMRPPLSKELWFSPNVTKTLRFKQWNGKERSIYFQPPSFYVSAQDLPHIENGGVAVLTGKKVVQLDVRDNMVKLNDGSQITYEKCLIATGGTPRSLSAIDRAGAEVKSRTTLFRKIGDFRSLEKISREVKSITIIGGGFLGSELACALGRKARALGTEVIQLFPEKGNMGKILPEYLSNWTMEKVRREGVKVMPNAIVQSVGVSSGKLLIKLKDGRKVETDHIVAAVGLEPNVELAKTGGLEIDSDFGGFRVNAELQARSNIWVAGDAACFYDIKLG...
8D3K_2_k12
0
-3.2
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s335
P24941
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][N][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=C][NH0][C@H1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1]...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCN[C@@H]43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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1NHR_1_k12
1
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444205
P0ABE6
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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IPVIEPSVPELVVKPGATVTLRCVGNGSVEWDGPPSPHWTLYSDGSSSILSTNNATFQNTGTYRCTEPGDPLGGSAAIHLYVKDPARPWNVLAQEVVVFEDQDALLPCLLTDPVLEAGVSLVRVRGRPLMRHTNYSFSPWHGFTIHRAKFIQSQDYQCSALMGGRKVMSISIRLKVQKVIPGPPALTLVPAELVRIRAAQIVCSASSVDVNFDVFLQHQNTKLAIPQQSDFHNNRYQKVLTLNLDVDFQHAGNYSCVASNVQGKHSTSMFFRVV
4WRL_2_k12
0
-4
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146018225
Q8CDM1
[CH3][NH0][C@H1][CH2][C@H1][CH2][NH0][Branch1][Ring1][CH1][=OH0][CH2][C@@][Ring1][#Branch2][Ring1][#Branch1][CH0][=Branch1][C][=OH0][CH0][=CH1][NH0][Branch1][C][H][CH1][=CH0][Ring1][P][Ring1][=Branch1]
CN1[C@H]2C[C@H]3CN(C=O)C[C@]31C(=O)c1c[nH]cc12
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5QXJ_2_k12
2
-5.7
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679
O04385
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
4Y3D_2_k12
0
-2.3
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753
P11838
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DIAAQHLADGIAASGPAPDLAAAAAFLEMGDRLGVVAHLDPDRTLETAEVAAALDLPEPALVRYLDAVESAGLVIREGEGRYRACPDFDTIRHQAGYISWTMNANRPFIENARDFFTDWDKAARTHVRDYREVAVSSQWMGSHAFYPTALATIIDAAPRKVVDLGAGTCRLLIEVLGAVPGSTGVGLDFAADACRAAEQAVAQAGMTDRLTVVERTIQSVATDPGVLEGADVIHAGFVFHDMLPEEEDVCDQVLANCRESLAPGGFLAITDAVPYLRNDRERRFSAAVSYYHGEFMRRRLQSEEEWVERLRGAGFSDVRA...
8RXF_1_k12
0
-3.2
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s1002
Q498M4
[NH0][Branch1][C][H][OH0][CH0][Branch1][O][CH0][=CH1][NH0][Branch1][C][H][CH1][=CH1][Ring1][=Branch1][=CH0][Branch2][Ring1][=Branch1][CH2][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][#Branch2][C@@H1][Ring2][Ring1][=Branch2][CH0][=CH0][Branch1][=Branch2]...
O=C(O)c1ccc(NCC2=C(c3cc[nH]c3)ON[C@H]2c2c(Cl)cccc2C(F)(F)F)cc1
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LTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLHKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFS
6T4J_3_k12
1
-13.6
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446466
O55173
[C@@H1][Branch1][Ring1][SH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](S)[C@H](O)[C@@H](O)[C@@H]1O
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HHAADYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDYSYSVKASILAGLDMIM...
6LBB_7_k12
0
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753
Q9HX08
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SEIESKVREATNDDPWGPSGQLMGEIAKATFMYEQFPELMNMLWSRMLKDNKKNWRRVYKSLLLLAYLIRNGSERVVTSAREHIYDLRSLENYHFVDEHGKDQGINIRQKVKELVEFAQDDDRLREERKKAKKNKDK
2V8S_1_k12
0
-2.4
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174
P97438
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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PLRLLSSVHYLTDGELPQLYDYPDDGTWLRANFISSLDGGATVDGTSGAMAGPGDRFVFNLLRELADVIVVGVGTVRIEGYSGVRMGVVQRQHRQARGQSEVPQLAIVTRSGRLDRDMAVFTRTEMAPLVLTTTAVADDTRQRLAGLAEVIACSGDDPGTVDEAVLVSQLAARGLRRILTEGGPTLLGTFVERDVLDELCLTIAPYVVGGLARRIVTGPGQVLTRMRCAHVLTDDSGYLYTRYVKT
4XT8_4_k12
0
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Q9WMX2
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CNC(=O)c1c(-c2ccc(F)cc2)oc2ccc(-c3cccc(C(=O)O)c3)cc12
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SMSYTWTGALITPCVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSARSKFGYGAKDVRNLSSKAVNHIRSVWKDLLEDTETPIDTTIMAKNEVFCVQPEKGGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPGQRVEFLVNAWKAKKCPMGFAYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKAAAACRAAKLQDCTMLVCGDDLVVICESAGTQEDEASLRAFTEA...
5PZM_1_k12
1
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8117
Q8N1Q1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5OGJ_3_k12
0
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s730
P9WNX1
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8CQ8_1_k12
1
-11.6
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445184
P0DOX5
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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3V95_3_k12
0
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8172
Q29ST3
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3NKU_2_k12
0
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s612
Q8CM25
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8GN1_12_k12
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6503
P0DOX7
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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7XTW_2_k12
0
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176
P03367
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5UOV_2_k12
0
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679
P0DTC1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMFNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
8E5C_1_k12
0
-2.2
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131953446
Q56F26
[CH0][Branch1][=Branch1][C@H1][Branch1][C][CH3][CH3][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring2][CH2][OH0][H][=CH0][Branch1][Ring1][OH0][H][CH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][NH0][CH1][=CH0][CH1][=CH1][CH1][=CH1][CH0][Ring1][=Branch1][=CH1][Ring1][=Branch2][=CH1][Ring2][Ring1][O]
CC(C)c1cc(C(=O)n2cc3ccccc3c2)c(O)c(CO)c1O
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EEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDALDKIRYESLTDPSKLDSGKELKIDIIPNPQERTLTLVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVVVITKHNDDEQYAWESSAGGSFTVRADHGEPIGRGTKVILHLKEDQTEYLEERRVKEVVKKHSQFIGYPITLYL
5UCI_2_k12
1
-9.3
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679
P0DTC1
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSlEvDcMqLqNpPhNdYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQqAdGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPwKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGsSgPtSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GDQ_1_k12
0
-2.4
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s687
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2CU0_1_k12
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6503
Q9FWR5
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6SC4_2_k12
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8064
Q9GLW0
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][CH2][OH0][H]
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4O81_1_k12
0
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444205
P29016
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3T8X_3_k12
0
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73330345
P50172
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4NMH_2_k12
1
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573
Q8DIF8
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DQESSGFAWWAGNARLINLSGKLLGAHVAHAGLIVFWAGAMTLFELAHFIPEKPMYEQGLILIPHIATLGWGVGPGGEVVDTFPFFVVGVVHLISSAVLGFGGVYHAIRGPETLEEYSSFFGYDWKDKNKMTTILGFHLIVLGIGALLLVAKAMFFGGLYDTWAPGGGDVRVITNPTLDPRVIFGYLLKSPFGGEGWIVSVNNLEDVVGGHIWIGLICIAGGIWHILTTPFGWARRAFIWSGEAYLSYSLGALSMMGFIATCFVWFNNTVYPSEFYGPTGPEASQAQAMTFLIRDQKLGANVGSAQGPTGLGKYLMRSPT...
4FBY_5_k12
1
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9903
P27487
[CH2][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][C@H1][CH2][CH2][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][N][Ring1][=Branch1][CH3][CH2][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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8QYI_2_k12
1
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174
P9WNP7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6LNK_1_k12
0
-2.6
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64960
P0DOX7
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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EVQLVESGAEVKKPGSSVKVSCKASGDTFIRYSFTWVRQAPGQGLEWMGRIITILDVAHYAPHLQGRVTITADKSTSTVYLELRNLRSDDTAVYFCAGVYEGEADEGEYDNNGFLKHWGQGTLVTVSSASTKGPSVFPLAPGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDIVMTQSPATLSVSPGERATLSCRASESVSSDLAWYQQKPGQAPRLLIYGASTRATGVPARFSGSGSGAEFTLTISSLQSEDFAVYYCQQYNNWPPRYT...
2NY5_3_k12
0
-4.9
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444205
P00720
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH3][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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CTSIVAQDSRGHIYHGRNLDYPFGNVLRKLTVDVQFLKNGQIAFTGTTFIGYVGLWTGQSPHKFTVSGDERDKGWWWENAIAALFRRHIPVSWLIRATLSESENFEAAVGKLAKTPLIADVYYIVGGTSPREGVVITRNRDGPADIWPLDPLNGAWFRVETNYDHWKPAPKEDDRRTSAIKALNATGQANLSLEALFQILSVVPVYNNFTIYTTVMSAGSPDKYMTRIRNP
6DXX_1_k12
0
-4.6
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174
Q0A2Q7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SIEPFLRTTPRPLRLPDGPLCHQRSKFLLMDALKLSIEDPSHEGEGIPLYDAIKCMKTFFGWKEPNIVKPHEKGINPNYLMAWKQVLAELQDIENEEKIPRTKNMKRTSQLKWALGEEPEPRSLASWVQNEFNKACELTDSSWIELMRRNYFTAEVSHCRATEYIMKGVYINTALLNASCAAMDDFQLIPMISKCRTKEGRRKTNLYGFIIKGRSHLRNDTDVVNFVSMEFSLTDPRLEPHKWEKYCVLEIGDMLLRTAIGQVSRPMFLYVRTNGTSKIKMKWGMEMRRCLLQSLQQIESMIEAESSVKEKDMTKEFFEN...
6SYI_1_k12
0
-2.8
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s34
P43405
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5CXZ_1_k12
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77003887
Q96T88
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COc1ccc2c(c1)cc(C(=O)NS(=O)(=O)N1CCOCC1)n2CC(=O)O
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4MUG_3_k12
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445027
P9WPQ5
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C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
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3FPA_1_k12
2
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s75
P23687
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O=C1NC(N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)NC1=Cc1ccc2c(c1)SCN2
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MHLICQSGDVLSARYEIVDTLGEGAFGKVVECIDHKAGGRHVAVKIVKNVDRYCEAARSEIQVLEHLNTTDPNSTFRCVQMLEWFEHHGHICIVFELLGLSTYDFIKENGFLPFRLDHIRKMAYQICKSVNFLHSNKLTHTDLKPENILFVQSDYTEAERTLINPDIKVVDFGSATYDDESTRHYRAPEVILALGWSQPCDVWSIGCILIEYYLGFTVFPTHDSKEHLAMMERILGPLPKHMIQKTRKRKYFHHDRLDWDEHSSAGRYVSRACKPLKEFMLSQDVEHERLFDLIQKMLEYDPAKRITLREALKHPFFDLL...
8P04_1_k12
1
-11.1
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174
154014
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5D26_1_k12
0
-1.9
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s749
P18946
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C[C@@H](O)[C@H](N)[C@@H]1NC(Cc2ccc(O)cc2)C(=O)N1CC=O
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7E9Y_1_k12
1
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8117
P50097
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4G2Y_2_k12
0
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753
Q9S7E4
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DSKKIVGVFYKANEYATKNPNFLGCVENALGIRDWLESQGHQYIVTDDKEGPDCELEKHIPDLHVLISTPFHPAYVTAERIKKAKNLKLLLTAGIGSDHIDLQAAAAAGLTVAEVTGSNVVSVAEDELMRILILMRNFVPGYNQVVKGEWNVAGIAYRAYDLEGKTIGTVGAGRIGKLLLQRLKPFGCNLLYHDRLQMAPELEKETGAKFVEDLNEMLPKCDVIVINMPLTEKTRGMFNKELIGKLKKGVLIVNNARGAIMERQAVVDAVESGHIGGYSGDVWDPQPAPKDHPWRYMPNQAMTPHTSGTTIDAQLRYAAG...
3N7U_1_k12
0
-3.4
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753
O25046
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdYdQdAkGdVfKdDqYlRlLvTqYaYeTaPqDpYdTdPaKdDlTqDwIkLkAwAkFkRkVfTaPfQdPpGpVdPdFpEsErAlAlAsAvVlAqAaEqSlSwTpGdTdWgTiTdVdWpTcDcLvLvTdDpLcDnRqYqKgGkChCfYrDdIwEaPdLdPpGvEdDdNrQiFiIiAtYmIiAiYgPhLnDvLrFdEdEaGaSdVpTpNrMvLcTcSrInVvGnNpVsFqGpFdKpArLtKpAaLmReLtEqDdLmRaIhPhVqAvYsLlKvTsFfQqGfPaPlHaGfIlQvVrEvRcDvKvLqNvKdYdGqRaPaLaLeGe...
GYQAGVKDYRLTYYTPDYTPKDTDILAAFRVTPQPGVPFEEAAAAVAAESSTGTWTTVWTDLLTDLDRYKGCCYDIEPLPGEDNQFIAYIAYPLDLFEEGSVTNMLTSIVGNVFGFKALKALRLEDLRIPVAYLKTFQGPPHGIQVERDKLNKYGRPLLGCTIKPKLGLSAKNYGRAVYECLRGGLDFTKDDENINSQPFQRWRDRFLFVADAIHKAQAETGEIKGHYLNVTAPTCEEMLKRAEFAKELEMPIIMHDFLTAGFTANTTLSKWCRDNGMLLHIHRAMHAVMDRQKNHGIHFRVLAKCLRMSGGDHIHTGTV...
3ZXW_1_k12
0
-4.1
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753
P40261
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdDpDpKlKeIaVeVeGeAeTqLcVpPpGpGvEvLlLvEvElLcKqPvLvIsKvEvKvGpYhTgLyEdVyKdNyFdDdDdYdIpLvPrNlEvAcLqNlNvGvEvIgDfAkNyLwFyQfHfEvPvYvLvKvEvAcVcKvAvKpGvYrKqIkMdAfGdKdKfLwYkVfCfPwAwIfLkYfSaYpKaIdKqSaVpDvEpFqKaKaGpDfTeIeAeIwSeNlNpPqSvSrCqSqKvNvLvRvYqLcEvSvIvGpLqLfTdLfPdKdGdDpGdLgVdShPpKvDrItIdEdNgPvKrGhIyQdFyKdEhLdDhIqAlQcIvPlSv...
KDDKKIVVGATLVPGGELLEELKPLIKEKGYTLEVKNFDDYILPNEALNNGEIDANLFQHEPYLKEAVKAKGYKIMAGKKLYVCPAILYSYKIKSVDEFKKGDTIAISNNPSSCSKNLRYLESIGLLTLPKGDGLVSPKDIIENPKGIQFKELDIAQIPSSLPDVTAAFIDTTYAVPAGLDAKKNGIYTAPINDEYANLLAFRTEDKDSEKIKVLQDVLTSDKARSLIEEKYKGIVIPTF
4OTE_3_k12
0
-3.6
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174
O57380
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdWdEdVpGdCdGdApPpVdPdLdVqKdCdDdEpNpSdPlYfRaTdIlTqGrDaCqNqNfRvRvShPrAcLfGqAgAfNfRdAfLfAaRaWpLdPqAfEaYaEqDvGqLaAfLhPfFaGqWqTdQpRpKgTpRdNpGpFhRhVfPfLfAlRlEvVcScNvKvIfVaGaYdLdDdElEpGpVfLfDdQqNwRfSfLlLvFlMlQlWlGlQvIqVqDlHlDqLaDfFdAfPaEfTdEdLpGpSpNpEdHcSvKqTvQvCcEqEvYpCvIdQdGdDqNfCwFdPwIrMaFdPdKdNpDdPpKcLcKvTvQrGhKgCtMdPtFg...
SWEVGCGAPVPLVKCDENSPYRTITGDCNNRRSPALGAANRALARWLPAEYEDGLALPFGWTQRKTRNGFRVPLAREVSNKIVGYLDEEGVLDQNRSLLFMQWGQIVDHDLDFAPETELGSNEHSKTQCEEYCIQGDNCFPIMFPKNDPKLKTQGKCMPFFRAGFVCPTPPYQSLAREQINAVTSFLDASLVYGSEPSLASRLRNLSSPLGLMAVNQEAWDHGLAYLPFNNKKPSPCEFINTTARVPCFLAGDFRASEQILLATAHTLLLREHNRLARELKKLNPHWNGEKLYQEARKILGAFIQIITFRDYLPIVLGSE...
4GM7_5_k12
0
-1.9
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444205
P12821
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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4GTX_2_k12
0
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196
Q9ER97
[CH2][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CCCCC(=O)O
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AEAWSPATDERLRAAGIDAEDARRVVVTALEEDLRYGADVTSDATVPADAVTEAVVASRQPGVLAGLPVALAVLDLVTGGRFEVAECRADGDRLGPGDVALRVTAATRELLVAERTMLNLLCHLSGVATLTARWNDALAGTHCKVRDSRKTLPGLRLLEKYAVRRGGGQNHRLGLGDAILIKDNHIVAGGSAGAALQAARAHTPGLPCEVEVTTLAELDEVLALGADEVMLDNFTVEQCVEAVRRRDAARTRTRLEASGGLTLDVAAAYARTGVDLLAVGALTHSAPALDLGLDFAPEAWSPATDERLRAAGIDAEDARR...
7XGL_3_k12
2
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679
P16152
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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AEFIVGGKYKLGRKIGSGSFGDIYLATNITNGEEVAVKLESQKARHPQLHYESKLYKILQGGVGIPHIRWYGQEKDYNVLVMDLLGPSLEDLFNFCSRRFTMKTVLMLADQMISRIEYVHTKNFIHRDIKPDNFLMGIGRHCNKLFLIDFGLAKKYRDNRTRQHIPYREDKNLTGTARYASINAHLGIEQSRRDDMESLGYVLMYFNRTSLPWQGLKAATKKQKYEKISEKKMSTPVEVLCKGFPAEFAMYLNYCRGLRFEEAPDYMYLRQLFRILFRTLNHQYDYTFDWTMLKQKA
6GZD_4_k12
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8200
P85991
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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7R3T_3_k12
0
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444205
P12821
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][C]
CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5AM9_1_k12
0
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176
Q58F21
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753
P0DTC1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdLkTaFkYdPdAlWeLeTeVeSaEfGqAdNwAdTkFiTkCiSfLaSpNdWdSdElDqLkMkLkNfWkNwRfLqSdPpSvNgQdTtEdKtQaAwAiFaShNnGnLaSiQgPgVdQpDdAvRqFfQgIwIaQqLdPpNvRrHgDmFiHiMgNiIrLgDrTdRdRqNvDvSwGgIkYmLkCmGkAmIwSdLpHpPpKhLtKdIiEdEiShPdGiAhEtLyVgVyTdMdLpFkTeVkTaAfPpKaEaVeYaTeVeDeVaGqSaSkVdSkLgEkCiDfFiDdRpRvElLaEvGqIkRdAkSfLkQfKaVpEpTvStLdQtSdEp...
SLTFYPAWLTVSEGANATFTCSLSNWSEDLMLNWNRLSPSNQTEKQAAFSNGLSQPVQDARFQIIQLPNRHDFHMNILDTRRNDSGIYLCGAISLHPKLKIEESPGAELVVTMLFTVTAPKEVYTVDVGSSVSLECDFDRRELEGIRASLQKVETSLQSERATLLEEQLPLGKALFHIPSVQVRDSGQYRCLVICGAAWDYKYLTVKVKASYMRIDTRILEVPGTGEVQLTCQARGYPLAEVSWQNVSVPANTSHIRTPEGLYQVTSVLRLKPQPSRNFSCMFWNAHMKELTSAIIDP
3BP6_1_k12
0
-3.7
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753
P39840
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
NdTkLdKkIfEfAqEvSpYfLpYdSkNdDqVwQdKwEdPaCaSpEvGgGdEiNkViGaYrIwNaNaGfSiWkMtSkYhPfGfIaNwFdPaSaSwGfNkYkLkIkEkYwRkVkAeSfAqVdDfGfGwRkFkSwSkDdLwEaAvGnEpTgVtLfGgEmLdSgVhPdNnTlGnGdWqQrNnWiTdTmVdSiQdTiVgNtVdShAgGdTtYtQiFmGmLiYtSiInSgGhGgWmNmItNgWiImRmImTgKd
NTLKIEAESYLYSNDVQKEPCSEGGENVGYINNGSWMSYPGINFPSSGNYLIEYRVASAVDGGRFSSDLEAGETVLGELSVPNTGGWQNWTTVSQTVNVSAGTYQFGLYSISGGWNINWIRITK
5FUI_2_k12
0
-3.7
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174
A5F6B5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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TDSPVLALAKELISRQSVTPADAGCQDLMIERLKALGFEIESMVFEDTTNFWARRGTQSPLFVFAGHTDVVPAGPLSQWHTPPFEPTVIDGFLHGRGAADMKGSLACMIVAVERFIAEHPDHQGSIGFLITSDEEGPNGTVRVVETLMARNELIDMCIVGEPSSTLAVGDVVKNGRRGGGFLTDTGELLAAVVAAVEEVNHQAPALLTTGGTSDGRFIAQMGAQVVELGPVNATIHKVNECVRIADLEKLTDMYQKTLNHLLG
4OP4_3_k12
0
-2.3
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31291
P27338
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH1][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCC=O
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GNAAAACKGSEQESVKEFLAKAKEDFLKKWETPSQNTAQLDQFDRIKTLGTGSFGRVMLVKHKESGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLVKLEFSFKDNSNLYMVMEYVAGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLLIDQQGYIQVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKG...
4DFZ_1_k12
2
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8182
Q7NDN8
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC
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4ILB_3_k12
2
-5
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753
P12915
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SAPAIIILPGEDAEAYRLAWLSYGYGNVDIGPMYFTEFGADGIVKSLGRAADGQRSQAPIALRSVGGMQELEEKTCIRFVPRTTESDYVEIFTSGSGCWSYVGRISGAQQVSLQANGCVYHGTILHALMHAIGFYHEHTRMDRDNYVTINYQNVDPSMTSNFDIDTYSRYVGEDYQYYSIMHYGKYSFSIQWGVLETIVPLQNGIDLTDPYDKAHMLQTDANQINNLYTNECSLR
3LQ0_1_k12
0
-3.1
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176
930367
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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IALSEIVSVVNTSDGRIEVFGVGTDNAVWHNRQTAPHSGSSWTGWISLNGKVTSKPVVYINTDGRLEVFARGTDNALWHIWQTATNAGWSNWQSLGGTITSNPAVYVNTDGRIDVFARGTDNALWHISQTAAHSGPWSSWQSLNGVITSNPAVHINSDGRLEVFARGTDNALWHIWQTAPDSNQWSGWDSLGGVITSDPVVIGTADGRLEVFARGSNNALYHIWQTVPHGGPWSNWASLNGVITSAPAVVKNSDGRLEVFARGTNNALYHIWQTVSHSGPWSNWATLNGTITSAPTAVEDADGRLEVFARGTDNALWNIW...
6RFZ_1_k12
0
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284
O68874
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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QLSEQLAELEKRSGGRLGVAVLDTATGRRIAYRGDERFPMCSTFKALLAAAVLARVDQGKERLDRRITYGKEDLVDYSPVTEKHVGDGMTVAELCEAAITLSDNTAANLLLEALGGPAALTAFLRSIGDEVTRLDRWEPELNEAAPGDPRDTTTPAAMAATLRTLLLGDALSPASRQQLVDWLVANKTGDKRLRAGLPADWRVGDKTGTGGHGTTNDIAVIWPPGRAPIVVTVYLTESQVDADARDAVIAEVGRLVVEAF
4B88_1_k12
0
-2.9
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s11
Q5REQ8
[SH0][Branch2][Ring1][C][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][NH0][Branch1][C][H][CH1][Ring1][Branch2][CH3][CH1][SH0][CH1][Branch1][Ring1][SH0][CH3][NH0][Branch1][C][H][NH0][Ring1][Branch2][H]
CSC1NNC(SC2=C(C)NNC2C)S1
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2YE7_1_k12
2
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753
Q13526
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4J7U_1_k12
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867
P00327
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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4XMV_2_k12
0
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7SCE_2_k12
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62551
P07062
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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5K8Y_1_k12
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753
P28482
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8PT0_3_k12
0
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21270543
P00918
[OH0][CH2][CH2][NH0][Branch1][Ring1][CH2][CH3][CH1][=CH1][Ring1][Branch2]
CCN1C=COCC1
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HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
4WW6_2_k12
0
-3.9
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7510236
P0DTC1
[OH0][=S@@][=Branch1][C][=OH0][Branch1][S][NH0][CH2][CH2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][CH2][CH2][Ring1][=Branch2][CH0][=CH1][CH0][Branch1][C][CH3][=CH1][CH1][=CH0][Ring1][#Branch1][CH3]
CC(=O)N1CCN(S(=O)(=O)c2cc(C)ccc2C)CC1
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCqGpTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNsFiLfViQgAdGpNhVdQtLfRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNsPpKsTrPwKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrShPgSdGdViYgQmCwAtMcRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGnStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
5RFI_2_k12
2
-6.7
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753
O96935
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdIkHdYfRpKvDpYdKdPdSdGqFkIaIfNaQeVkTeLwNeIwNeIdHdDdQfEkTiIkViRkSiVkLtDwMmDfIgSdKpHpNdVdGlEaDwLdVkFwDfGaVaGpLwKaIwNpEfIkSdIkNqNpKhKtLdVdEdGpEvEqYwTdYdDdNrEtFmLiTtIgFgSsKvFpVdPdKhSgKtFiAmFiSmStEmVtImIdHgPqEdTqNqYlAqLqTaGaLwYhKqSfKpNlIkIiVkShQqCpEpApTpGrFvRsRhIdTdFiFhInDrRwPwDqMrMwAyKwYyDkVyTkVyTkAdDqKcEvKfYfPvVdLkLdSwNd...
KIHYRKDYKPSGFIINQVTLNINIHDQETIVRSVLDMDISKHNVGEDLVFDGVGLKINEISINNKKLVEGEEYTYDNEFLTIFSKFVPKSKFAFSSEVIIHPETNYALTGLYKSKNIIVSQCEATGFRRITFFIDRPDMMAKYDVTVTADKEKYPVLLSNGDKVNEFEIPGGRHGARFNDPPLKPCYLFAVVAGDLKHLSATYITKYTKKKVELYVFSEEKYVSKLQWALECLKKSMAFDEDYFGLEYDLSRLNLVAVSDFNVGAMENKGLNIFNANSLLASKKNSIDFSYARILTVVGHEYFHQYTGNRVTLRDWFQLT...
8EYD_1_k12
0
-4.7
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445184
Q91MA7
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
PdGdAdTdLdCdLdGdHdHdAfVdPpNdGfTaLwVaKcTdIpTpDdDrQtIfEtVfTrNdAwTdEwLqVaQfSeSdSaTpGlKaIaCaNcNpPdHwRnIeLaDeGqIvDqCdTdLpIvDcAlLlLqGaDqPqHvCnDvVvFqQaNfEhTfWgDqLeFyVeEdReSpKnAhFdSgNqCaYfPaYaDaVePdDpYpAvSvLvRsSfLqVvAqSqSlGgTtLsEhFwIdTfEdGdFkTdWqTpGfVwTdQkNfGdGfSdNqAsCrKdRhGpPpGdStGgFhFrSpRfLwNiWdLtTfKgSdGpSqTaYqPdVkLgNkVdTkMd...
PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRMTSARISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPE
5VTX_2_k12
0
-2.9
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753
P0A6I8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
EdVfAeIkGeIwDeLlGdTqTfYkSiCwViGwIaCaRdNlGnVdViDdItIfAaNaDpQvGrNhRsTiTfPtSlYkVwAfFaTdDlTaEdRiLdIgGtDpAvAlKvNvQcAcSlRvNfPqEqNrTiVdFgDrAlKlRqLqIqGlRdKfFcSpEdTvTsVnQvSvDcMcKvHvWgPsFyTdVwKdGaGdSpDvGrKfPiMwItEwVhSaYhQsGnEdKiKdTtFdHgPsElEcIsSsSlMvVnLlKlKsMnKqEvVsAvEcTvYvLvGvKhPhVhKaNeAfVeIyTeVdPaApYpFdNdDpSsQsRqQvAsTvKcDvAsGc...
EVAIGIDLGTTYSCVGICRNGVVDIIANDQGNRTTPSYVAFTDTERLIGDAAKNQASRNPENTVFDAKRLIGRKFSETTVQSDMKHWPFTVKGGSDGKPMIEVSYQGEKKTFHPEEISSMVLKKMKEVAETYLGKPVKNAVITVPAYFNDSQRQATKDAGAIAGLNVLRIINEPTAAAIAYGLGGEQNILIFDLGGGTFDVSLLTLEDGIFEVKATSGDTHLGGEDFDNKLVNFCVQDFKKKNGGKDVSKNSKSLRRLRTQCEKAKRVLSSSAQATIEVDSLFDGIDYNVNITRAKFEELCMDQFRNTLIPVEKVLKDAK...
6RZQ_1_k12
0
-3.8
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439427
P36871
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