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
9711
P00636
[C@@H1][Branch1][#Branch1][SH0][C@H1][Branch1][C][CH3][CH3][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][Ring2][Ring1][Ring1]
CC(C)S[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
QdIdPaSaLqKcDvVlFcLvQvDfFaKfIeGeVaAaLdPaVqRvVlFvSvNpSvMvDsVvEvLlIpTlKrHhFgNqSeMyTeAhElNqEcMlKaPqElSnIfLwRdRaDpApSvGrKdIiYgYgDdFcTpVrAvDvRsYvIlEvFsAnQvKvHsGnMhVaVyReGrHpTaLlVaWeHlSpQsThPdEqWcFlFqKdDdEpKvGsNdLgLdSaRlEvAvMnIlEvRsMsRlEvYsIlHlTvVsVlGlRvYcRaGpKrVhYqAeWyDqVqVaNeEaAqVaDdElNvQdPpDlGrLgRdRcSgLsWlYcQvVrInGrPdDcYs...
QIPSLKDVFLQDFKIGVALPVRVFSNSMDVELITKHFNSMTAENEMKPESILRRDASGKIYYDFTVADRYIEFAQKHGMVVRGHTLVWHSQTPEWFFKDEKGNLLSREAMIERMREYIHTVVGRYRGKVYAWDVVNEAVDENQPDGLRRSLWYQVIGPDYIELAFKFAHEADPDALLFYNDYNEFFPKKRDIIFKLVKEMREKGVPIHGIGMQQHLTLADNVGWIDIAIQKFKTISGIQIHITELDVSVYKSRSPSIIYQTPPSEVLHEQAEFYRKLFEIYRKHTDVITNVTFWGLKDDYSWLRFFFGRRNDWPLLFDEN...
8BBI_2_k12
2
-6
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177
P31939
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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SEPIRVLVTGAAGQIAYSLLYSIGNGSVFGKDQPIILVLLDITPMMGVLDGVLMELQDCALPLLKDVIATDKEEIAFKDLDVAILVGSMPRRDGMERKDLLKANVKIFKCQGAALDKYAKKSVKVIVVGNPANTNCLTASKSAPSIPKENFSCLTRLDHNRAKAQIALKLGVTSDDVKNVIIWGNHSSTQYPDVNHAKVKLQAKEVGVYEAVKDDSWLKGEFITTVQQRGAAVIKARKLSSAMSAAKAICDHVRDIWFGTPEGEFVSMGIISDGNSYGVPDDLLYSFPVTIKDKTWKIVEGLPINDFSREKMDLTAKELA...
4MDH_1_k12
0
-1.7
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444205
P04963
[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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EEPGSGIGYPYDNNTLPYVAPGPTDSRAPCPALNALANHGYIPHDGRAISRETLQNAFLNHMGIANSVIELALTNAFVVCEYVTGSDCGDSLVNLTLLAEPHAFEHDHSFSRKDYKQGVANSNDFIDNRNFDAETFQTSLDVVAGKTHFDYADMNEIRLQRESLSNELDFPGWFTESKPIQNVESGFIFALVSDFNLPDNDENPLVRIDWWKYWFTNESFPYHLGWHPPSPAREIEFVTSASSAVLAASVTSTPSSLPSGAIGPGAEAVPLSFASTMTPFLLATNAPYYAQDPTLGPND
2CIY_3_k12
0
-4.2
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439357
P31723
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5X4A_3_k12
0
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176
B0BA40
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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8UFT_5_k12
0
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134693755
Q9Y223
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COCCOCCOCCOCCOCCOc1ccc(C(C)(C)CC(C)(C)C)cc1
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SIGLAHNVTILGSGETTVVLGHGYGTDQSVWKLLVPYLVDDYKVLLYDHMGAGTTNPDYFDFDRYSSLEGYSYDLIAILEEFQVSKCIYVGHSMSSMAAAVASIFRPDLFHKLVMISPTPRLINTEEYYGGFEQKVMDETLRSLDENFKSLSLGTAPLLLACDLESAAMQEYCRTLFNMRPDIACCITRMICGLDLRPYLGHVTVPCHIIQSSNDIMVPVAVGEYLRKNLGGPSVVEVMPTEGHLPHLSMPEVTIPVVLRHIRQDITD
5Z95_2_k12
2
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s198
O13440
[C@H1][Branch1][S][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][CH0][Branch1][C][CH3][=OH0][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=C][NH0][CH2][NH0][Branch1][C][H][CH0][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][C...
CC(=O)O[P@@](=O)(O)OC[C@@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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VHHVHPLPDSVPESEDLFAPPPRMQGKEGRPKPHIGPNYESYVKEWAKTVGPNSDEWWAAKARETLDWYDDFKTVRAGGFEHGDVQWFPEGTLNAAYNCLDRHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYGVKKGDAVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKVLITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVLRRTGNKVPMTEGRDKWWDEECAKMPAYCPCERMASEDPLFILYTSGSTGKPKGVVHSTAGYLLGTALTLKYVFDAHPDDRFACM...
5K8F_2_k12
1
-9.7
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174
P02550
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7L9E_1_k12
0
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8172
P35991
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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TLSIPPSIQCQTEAACRLITRVTGDTLRAIHLYGSAVAGGLKPNSDIDLLVTICQPLTEAQRATLMQELLALSSPPGASAEKRALEVTVVLYSQLVPWCFPPSREMQFGEWLREDICQGIYEPAQQDWDMVLLITQILETSIPLKGERAERLFTPAPAAQLLKALRYPLDLWQSTADVQGDEYHIVLTLARIWYTLSTGRFTSKDAAADWLLPQLPEDYAATLRAAQREYLGLEQQDWHILLPAVVRFVDFAKAHIPTQFTK
5G4A_3_k12
0
-2.4
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174
Q9Y2U9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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CPAERSGHVAVSDGRHMFVWGGYKSFYLPREELWIYNMETGRWKKINTEGDVPPSMSGSCAVCVDRVLYLFGGHHSRGNTNKFYMLDSRRVLQWERIDCQGIPPSSKDKLGVWVYKNKLIFFGGYGYLPKVLGTFEFDETSFWHPRGWNDHVHILDTETFTWSQPITTGKAPSPRAAHACATVGNRGFVFGGRYRDARMNDLHYLNLDTWEWNELIPQGICPVGRSWHSLTPVSSDHLFLFGGFTTDKQPLSDAWTYCISKNEWIQFNHPYTEKPRLWHTACASDEGEVIVFGGCANNLLVHHRAAHSNEILIFSV
8PIF_2_k12
0
-2.5
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5232593
P42212
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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GEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQKNGIKVNFKIRHNIEDGSVQLADHYQQNTPIGDGPVLLPDNHYLSTQVALSKDPNEKRDHMVLLEFVTAAGITHGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGKLTLKFICTTGKLPVPWPTLVTTFVQCFSRYPDHMKRHDFFKSAMPEGYVQERTIFFK...
2QLE_1_k12
0
-2.7
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753
P29597
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SFHRVDQKEITQLSHLGQGTRTNVYEGRLRELRVVLKVLDPSHHDIALAFYETASLMSQVSHTHLAFVHGVCVRGPENIMVTEYVEHGPLDVWLRRERGHVPMAWKMVVAQQLASALSYLENKNLVHGNVCGRNILLARLGLAEGTSPFIKLSDPGVGLGALSREERVERIPWLAPECLPLSTAMDKWGFGATLLEICFDGEAPLQSRSPSEKEHFYQRQHRLPEPSCPQLATLTSQCLTYEPTQRPSFRTILRDLTR
5C01_3_k12
0
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4I7T_1_k12
0
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679
P11609
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5L7F_4_k12
0
-2.3
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445395
Q5SIE3
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2V21_1_k12
2
-6.6
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174
P12945
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4P8I_1_k12
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174
O60885
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6GRW_1_k12
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s501
P54635
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4Z47_3_k12
2
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79025
Q42525
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4QS9_1_k12
1
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s133
P07550
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CCCCCCCCCCCCCCCCC[C@@H](O)OC[C@@H](O)CO
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3NY8_1_k12
0
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311
Q4L4Y7
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O=C(O)CC(O)(CC(=O)O)C(=O)O
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1R0B_1_k12
1
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P17164
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VdTdPdVdTpAd
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4CDR_2_k12
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64947
Q59288
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CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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1QJW_2_k12
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243
P18858
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2]
O=C(O)c1ccccc1
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6YH5_1_k12
2
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169972052
Q2NRL9
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][CH0][Ring1][O][=OH0][NH0][Branch1][C][H][CH2][NH0][Ring1][Branch2][C@@H1][OH0][C@H1][Branch1][#Branch2][CH2][OH0][PH0][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][Ring1][N]
NC1NC(=O)C2=C(N1)N([C@H]1CC[C@@H](COP(O)O)O1)CN2
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4EZ6_1_k12
2
-6.2
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s910
P09960
[CH1][Branch1][C][CH3][Branch2][Ring1][Branch2][CH1][=CH1][CH0][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH0][Ring1][N][=OH0][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH3]
CC1=C(C=CC(C)CCCC(C)CCCC(C)CCCC(C)C)C(=O)c2ccccc2C1=O
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2B76_1_k12
1
-9
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444205
P05121
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1A7C_1_k12
2
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174
Q13627
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6S1B_2_k12
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446996
P05164
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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7LF5_2_k12
0
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84265
P33183
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CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@@H]1O
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8R8C_1_k12
2
-5.5
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77970
P13513
[CH2][Branch1][Branch1][CH2][CH2][CH2][BrH0][CH2][CH2][OH0][H]
OCCCCCCBr
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1XVB_2_k12
2
-5.1
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8117
P22411
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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439352
Q8NW51
[C@@H1][Branch1][Ring2][CH2][SH0][H][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][SH0][H]
O[C@H](CS)[C@@H](O)CS
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3P7X_3_k12
0
-2.8
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s157
P35354
[CH0][Branch2][Ring2][Ring2][NH0][Branch2][Ring1][#C][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][P][NH0][Branch1][=N][CH0][=Branch1][C][=OH0][CH1][=CH1][CH2][NH0][Branch1][C][CH3][CH3][H][CH1][=CH1][Ring1][S][H][=CH1][CH0][Branch2][Ring2][=Branch1][NH0][Branch1][C][H][CH1][NH0][Branch1][C][H][CH2][NH0][Bran...
CN(C)CC=CC(=O)Nc1ccc(C(=O)Nc2cccc(NC3C=C(c4c[nH]c5ccccc45)NCN3)c2)cc1
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6OSP_2_k12
1
-11
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753
P28037
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4AVE_2_k12
0
-2.6
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[0,1,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,1,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
174
P52895
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SKYQCVKLNDGHFMPVLGFGTAAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDE...
2IPJ_3_k12
0
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P16581
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OCCO
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Q15485
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PCLTGPRTCKDLLDRGHFLSGWHTIYLPDCRPLTVLCDMDTDGGGWTVFQRRVDGSVDFYRDWATYKQGFGSRLGEFWLGNDNIHALTAQGTSELRTDLVDFEDNYQFAKYRSFKVADEAEKYNLVLGAFVEGSAGDSLTFHNNQSFSTKDQDNDLNTGNCAVMFQGAWWYKNCHTSNLNGRYLRGTHGSFANGINWKSGKGYNYSYKVSEMKVRPA
2J3U_6_k12
0
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753
P18031
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3OAN_1_k12
0
-3.1
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79015
P47929
[CH2][Branch1][Ring1][OH0][H][OH0][H]
OCO
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7G0K_1_k12
0
-2.3
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679
P05024
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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2AVO_1_k12
0
-2.1
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7LW4_1_k12
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s593
P08799
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6Z7U_2_k12
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444205
P15474
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7O52_2_k12
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174
P22303
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3S8I_1_k12
0
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12977
P9WQN9
[PH0][Branch1][Ring2][OH0][CH2][CH3][Branch1][Ring2][OH0][CH2][CH3][OH0][H]
CCOP(O)OCC
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1DQY_2_k12
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s758
Q9GZ28
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4ZB1_1_k12
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3CEP_2_k12
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446996
P01857
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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5D4Q_3_k12
0
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146018250
Q5XIM7
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C[C@H]1CCC[C@H](C[C@H]2Cc3cc(O)cc(O)c3C(=O)N2)C1
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6KBF_1_k12
1
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164946677
P55245
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P9WGR1
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5W32_2_k12
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s177
P36639
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6JVL_1_k12
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82313
995168
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4XM3_2_k12
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s499
P14639
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[NH3+]C[C@H]1O[C@@H](CC(=O)NCC2C=CC=CN2)[C@H](O)[C@@H]1O
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5QBH_1_k12
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753
O60885
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4IO4_1_k12
0
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753
P29473
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3DQS_1_k12
0
-3.8
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753
O54435
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7EHS_1_k12
0
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176
Q01269
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3LOR_1_k12
0
-3
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92209481
I2DBY1
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1AIQ_2_k12
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753
P55366
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6G96_3_k12
0
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5288834
P03366
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C[C@H](O)CC(C)(C)O
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5O4N_3_k12
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444205
P27487
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445184
P0DOX4
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7K0B_2_k12
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176
P29473
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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1DMJ_5_k12
0
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21541975
P00760
[NH0][Branch1][C][CH3][CH1][=CH1][NH0][Branch1][C][H][NH1][Ring1][#Branch1]
CN1C=CNN1
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6U22_1_k12
0
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92209481
Q07422
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Ring2][Ring1][Branch1][OH0][H]
O=c1ccn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1
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5T0L_2_k12
1
-8.5
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5288834
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3NUB_1_k12
1
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s820
Q6DPI6
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NC1=CCN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1
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LEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKLEMRIGHGFDVHAFGGEGPIIIGGVRIPYEKGLLAHSDGDVALHALTDALLGAAALGDIGKLFPDTDPAFKGADSRELLREAWRRIQAKGYTLGNVDVTIIAQAPKMLPHIPQMRVFIAEDLGCHMDDVNVKATTTEKLGFTGRGEGIACEAVALLIKA
1H48_1_k12
1
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92209620
P22303
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5F2D_1_k12
1
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10040501
P46926
[C@H1][Branch1][Ring1][OH0][H][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][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring2][Ring1][Branch2]
CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]1O
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MKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPLGCYKKLIEYYKNGDLSFKYVKTFNMDEYVGLPRDHPESYHSFMWNNFFKHIDIHPENTHILDGNAVDLQAECDAFEEKIKAAGGIELFVGGIGPDGHIAFNEPGSSLVSRTRVKTLAMDTILANARFFDGELTKVPTMALTVGVGTVMDAREVMILITGAHKAFALYKAIEEGVNHMWTVSAFQQHPRTVFVCDEDATLELKVKTVKYFKGLMLVHNKLVDPLYSIKEMKLIILEHYSQASEWAAKYIRNRIIQFNPGPEKYFTLGLPTGSTPL...
1NE7_2_k12
2
-7
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176
P36639
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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ASRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGARRELQEESGLTVDALHKVGQIVFEFVGEPELMDVHVFCTDSIQGTPVESDEMRPCWFQLDQIPFKDMWPDDSYWFPLLLQKKKFHGYFKFQGQDTILDYTLREVDTV
8A0T_2_k12
0
-3.2
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679
Q06187
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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GSWEIDPKDLTFLKELGTGQFGVVKYGKWRGQYDVAIKMIKEGSMSEDEFIEEAKVMMNLSHEKLVQLYGVCTKQRPIFIITEYMANGCLLNYLREMRHRFQTQQLLEMCKDVCEAMEYLESKQFLHRDLAARNCLVNDQGVVKVSDFGLSRYVLDDEYTSSVGSKFPVRWSPPEVLMYSKFSSKSDIWAFGVLMWEIYSLGKMPYERFTNSETAEHIAQGLRLYRPHLASEKVYTIMYSCWHEKADERPTFKILLSNILDVMDEES
6W06_3_k12
0
-1.3
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50990897
Q07523
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1QFG_6_k12
0
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10299876
O52866
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CC(C)c1cc(Oc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)ccc1O
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5HKB_2_k12
1
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s211
O95180
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CCCCCCC(=O)O[C@@H](COC(C)=O)COP(=O)(O)O
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5VB8_1_k12
2
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56837805
Q64610
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5LQQ_4_k12
1
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176
P0DOX7
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7EBD_2_k12
0
-3.2
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284
P30656
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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4ZBR_6_k12
0
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25150859
P95748
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PQADYSGEIAELYDLVHQGKGKDYHREAADLAALVRRHSPKAASLLDVACGTGMHLRHLADSFGTVEGLELSADMLAIARRRNPDAVLHHGDMRDFSLGRRFSAVTCMFSSIGHLAGQAELDAALERFAAHVLPDGVVVVEPWWFPENFTPGYVAAGTVEAGGTTVTRVSHSSREGEATRIEVHYLVAGPDRGITHHEESHRITLFTREQYERAFTAAGLSVEFMPGGPSGRGLFTGLPGA
3PFH_2_k12
1
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445318
Q8DIF8
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CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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4L8M_1_k12
2
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s667
P32882
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