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
8742
P77258
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][Ring1][S]
O=C(O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
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EPTRIAILGKEDIIVDHGIWLNFVAHDLLQTLPSSTYVLITDTNLYTTYVPPFQAVFEAAAPRDVRLLTYAIPPGEYSKSRETKAEIEDWMLSHACTRDTVIIALGGGVIGDMIGYVAATFMRGVRFVQVPTTLLAMVDSSIGGKTAIDTPMGKNLIGAFWQPRRIYIDLAFLETLPVREFINGMAEVIKTAAIWNETEFTALEENAAAILEAVRSKASSPAARLAPIRHILKRIVLGSARVKAEVVSADEREGGLRNLLNFGHSIGHAYEAILAPQVLHGECVAIGMVKEAELARYLGVLRPSAVARLTKLIASYDLPT...
6HQV_2_k12
2
-5.1
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8172
A0A0E4AFG7
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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GKTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHLHDALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEMFPFLEPCLIEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAW...
4H2P_6_k12
0
-2.3
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753
P03372
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6HOO_1_k12
0
-3.1
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5IOR_2_k12
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13223182
P0C0Y8
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NC1Nc2ccccc2N1
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5Z9Q_1_k12
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174
P0ABE1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6XMY_1_k12
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753
Q06210
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4TYO_1_k12
0
-2.9
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s647
P01876
[NH0][Branch1][C][CH3][Branch2][Ring2][Ring1][CH2][CH0][=CH1][NH0][Branch1][C][H][CH1][CH0][=Branch1][Ring2][=NH0][Ring1][#Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][N][H][CH0][=CH1][CH1][=CH0][Branch2][Ring1][=Branch2][CH0][Branch2][Ring1][Ring2][NH...
CN(CC1=CNC2N[C@@H](N)NC(=O)C2=N1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
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8DAI_1_k12
1
-9
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8200
P42720
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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SEIELVFRPHPTLMEKAQTRYIKTSGNATVDHLSKYLAVRLALEELTASEKQYTIYIATASGQFTVLNGSFSLELVSEKYWKVNKPMELYYA
3H8H_2_k12
0
-3.5
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8134
P29274
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH3]
COCCOCCO
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6YLA_4_k12
0
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s29
P9WNX1
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5SCU_1_k12
1
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8117
P05164
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4LLC_1_k12
0
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679
P15090
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7FZW_1_k12
0
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8182
P20533
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
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3DDL_2_k12
0
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867
Q4D3W2
[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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7Q4X_3_k12
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90655273
P42556
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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8BOU_3_k12
0
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753
Q6ZMT4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MFTGSIVAIVTPMDEKGNVCRASLKKLIDYHVASGTSAIVSVGTTGEWATLNHDEHADVVMMTLDLADGRIPVIAGTGANATAEAISLTQRFNDSGIVGCLTVTPYYNRPSQEGLYQHFKAIAEHTDLPQILYNVPSRTGCDLLPETVGRLAKVKNIIGIKEATGNLTRVNQIKELVSDDFVLLSGDDASALDFMQLGGHGVISVTANVAARDMAQMCKLAAEGHFAEARVINQRLMPLHNKLFVEPNPIPVKWACKELGLVATDTLRLPMTPITDSGRETVRAALKHAGLL
7JZE_1_k12
0
-2.3
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s857
P0DTC1
[NH0][Branch2][Ring1][O][CH0][=Branch1][C][=OH0][CH0][=CH1][CH0][=CH0][Branch1][Branch2][NH0][Branch1][C][H][CH2][Ring1][#Branch1][NH0][Branch1][C][H][CH2][CH2][CH2][Ring1][#Branch2][Branch1][C][H][C@H1][C@@H1][Branch1][=Branch1][CH0][=Branch1][C][=OH0][OH1][CH2][CH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][CH1][=CH0]...
O=C(N[C@@H]1c2cccc(O)c2C[C@@H]1C(=O)O)C1=CC2=C(NCCC2)NC1
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5SPC_1_k12
1
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s974
P51570
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7S4C_2_k12
1
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79025
Q8ZNC4
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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3UON_2_k12
0
-4.9
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444205
P04062
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8AX3_4_k12
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s553
P49424
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92209481
Q06069
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s162
P0C0Y8
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2AI1_1_k12
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s1071
P86993
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1ZTU_1_k12
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s469
P04191
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O[C@@H]1[C@H](S)SC[C@@H]1O
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3P7X_2_k12
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s405
P49841
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2AWM_1_k12
1
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174
P16092
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5A46_1_k12
0
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8117
Q9PIK3
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3PLX_2_k12
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8200
847477
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OCCOCCOCCOCCO
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2Q22_2_k12
0
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90655273
P07814
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OS(O)(O)CCN1CCOCC1
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6UZ1_1_k12
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90988758
P0DTC1
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7NT4_1_k12
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753
O88689
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3WB4_1_k12
0
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444205
Q9WCE1
[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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DTICIGYHANNSTDTVDTVLEKNVTVTHSVNLLEDNHNGKLCKLNGIAPLQLGKCNVAGWLLGNPECDLLLTANSWSYIIETSNSENGTCYPGEFIDYEELREQLSSVSSFERFEIFPKASSWPNHETTKGVTAACSYFGASSFYRNLLWITKKGTSYPKLSKSYTNNKGKEVLVLWGVHHPPTTSEQQTLYQNTDAYVSVGSSKYNRRFTPEIAARPKVRGQAGRMNYYWTLLDQGDTITFEATGNLIAPWYAFALNKGSDSGIITSDAPVHNCDTKCQTPHGAINSTLPFQNVHPITIGECPKYVKSTKLRMATGLRN...
3HTT_2_k12
0
-4.8
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s503
P15121
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5C88_1_k12
1
-8.4
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444205
Q9HY79
[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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1F3J_1_k12
0
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753
P00742
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2FTP_1_k12
0
-3.3
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444205
Q5ZLK4
[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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3MJ6_2_k12
0
-3.8
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s661
P29255
[CH0][Branch1][N][NH0][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][=CH1][CH1][=CH0][Branch2][Ring1][C][CH0][=CH1][NH0][Branch1][C][H][CH1][CH1][=CH1][CH1][=CH1][CH0][Ring1][=Branch1][=CH1][Ring1][O][CH1][=CH0][Ring2][Ring1][Branch2][NH0][Branch1][S][CH0][=Branch1][C][=OH0][CH0][=CH1][CH0][Branch1][C][CH3...
Cc1cccc(C(=O)Nc2cc(C3=CNC4C=CC=CC4=C3)ccc2N2CCN(C)CC2)c1
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VKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
5EAL_2_k12
1
-11.6
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753
Q9HD34
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NFRVYYRDSRDPVWKGPAKLLEKGEGAVVIQDNSDIKVVPRRKAKIIRDYGKSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRKGYSAGERIVDIIATDIQTKCSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEFGGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNKKRK...
8A1P_4_k12
0
-3
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Q9C1S9
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4H0C_2_k12
0
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s999
O15530
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4A06_2_k12
1
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s192
O76064
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1FXS_1_k12
1
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446875
P0DP35
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O[C@H]1[C@H](O)COC[C@@H]1O
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1APV_5_k12
0
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753
Q9XA14
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8DGU_1_k12
0
-2.5
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s2
P20273
[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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7DLK_4_k12
0
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753
Q99986
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6BP0_2_k12
0
-3.2
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73407497
P47229
[CH1][=Branch1][=C][=CH1][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=Branch1][N][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H][ClH0]
O=C(O)C(O)=C(Cl)C=CC(=O)c1ccccc1
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LTESSTSKFVKINEKGFSDFNIHYNEAGNGETVIMLHGGGPGAGGWSNYYRNVGPFVDAGYRVILKDSPGFNKSDAVVMDEQRGLVNARAVKGLMDALDIDRAHLVGNAMGGATALNFALEYPDRIGKLILMGPGGLGPSMFAPMPMEGIKLLFKLYAEPSYETLKQMLQVFLYDQSLITEELLQGRWEAIQRQPEHLKNFLISAQKAPLSTWDVTARLGEIKAKTFITWGRDDRFVPLDHGLKLLWNIDDARLHVFSKCGHWAQWEHADEFNRLVIDFLRHA
2RHT_1_k12
1
-8.1
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8134
Q9R6X3
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH3]
COCCOCCO
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DYHVDLTNCDREPIHIPGYIQPHGCLIACDNAMRMVLRHSENCGELLGLEGDLNGRTAEDVLGKRLVHDLRNALTRPAMLPAMETSDGRSFDISLHRYKSTTIIEFEPSDPLGTARKMVDRIREADSVESLISRTTRLVKATLGYDRVLIYRFEEDGAGKVVSEAKQPELESFLGQYFPASDIPQQARALYLKNTLRIISDASGTPIPVLPAVDVSGEPLDLSYAHLRNFSPIHCEYLRNMGVAASMSISVIVDDALWGLIVCHHCSPRVLSMPVRIAAAMFGEFFSMFLQVLKQKRRLDTINHAHAALDRFLRLAAHRA...
6G1Z_1_k12
0
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2063864
P11838
[CH1][=CH0][Branch1][=C][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][NH0][Branch1][C][H][H][CH1][=CH1][CH0][Branch1][Branch2][NH0][Branch1][Ring1][CH2][CH3][CH2][CH3][=CH1][Ring2][Ring1][C]
CCN(CC)c1ccc(C(=O)NN)cc1
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
4Y3Q_2_k12
2
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7005
P14489
[CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][CH0][=CH0][Ring1][Branch2][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
Oc1cccc2ccccc12
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SVIRHFLRDDDLSPAEQAEVLELAAELKKDPVSRRPLQGPRGVAVIFDKNSTRTRFSFELGIAQLGGHAVVVDSGSTQLGRDETLQDTAKVLSRYVDAIVWRTFGQERLDAMASVATVPVINALSDEFHPCQVLADLQTIAERKGALRGLRLSYFGDGANNMAHSLLLGGVTAGIHVTVAAPEGFLPDPSVRAAAERRAQDTGASVTVTADAHAAAAGADVLVTDTWTSMGQENDGLDRVKPFRPFQLNSRLLALADSDAIVLHCLPAHRGDEITDAVMDGPASAVWDEAENRLHAQKALLVWLLERSVIRHFLRDDDLS...
7NNY_1_k12
1
-7.9
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176
Q13231
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MRWKRMMQLLDVHCEGEIGKVAIGGVPKIPGDTVADQLHWLNTDPKGRELRHFLVLEPRGAPIGSVNLLLPAKDSRADAAFIILQPDQAHASSGSNSICVTTALLESGMIEMQEPETVVMLETAAGLVKAVAQCRDGHCDSVTLTMVPSFVHELDAQIATESWGEIRFDLAYGGVFYALVDVRQLGLTIEPGNARRLVEAGMLLKGEINQRIQVVHPDIPAISGVAYVMFRDEDPDGAVRTCTTMWPGRVDRSPCGTGNSANLATLHARGRVKPGDSFLSRSIIGSQFTVGLQGLTTVAGRSAVIPTITGRGFTYGIHQV...
4LB0_1_k12
0
-4
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86341111
Q9KEI9
[CH1][Branch1][=Branch2][CH2][CH2][CH2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][=CH1][NH0][Ring1][N][H]
NCCCC1NC=CN1
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5SAG_1_k12
0
-3.3
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s76
Q51973
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LKAPVVVLGAGLASVSFVAELRQAGYQGLITVVGDEAERPYDRPPLSKDFMAHGDAEKIRLDCKRAPEVEWLLGVTAQSFDPQAHTVALSDGRTLPYGTLVLATGAAPRALPTLQGATMPVHTLRTLEDARRIQAGLRPQSRLLIVGGGVIGLELAATARTAGVHVSLVETQPRLMSRAAPATLADFVARYHAAQGVDLRFERSVTGSVDGVVLLDDGTRIAADMVVVGIGVLANDALARAAGLACDDGIFVDAYGRTTCPDVYALGDVTRQRNPLSGRFERIETWSNAQNQGIAVARHLVDPTAPGYAELPWYWSDQGA...
2YVF_2_k12
1
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753
P02754
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4IB9_2_k12
0
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79014
Q9UIF8
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH1][=OH0]
O=C[C@H](O)CO
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1N4V_2_k12
0
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8172
P71016
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
NdNfRkYkSkFkIwGaGfRaTdGaQqWwQaVfVpKdIkRdNfVdLfGdPdGgLfQdLdVyEgKgViNhImLdNdGdAdVdAdEdIhPdLpDrStArWdRmLdQmGfFgAaSdNdIdRqYaAdIdRvTvElLvEvAlLcQvAvVfQaPdMdLpNpRdAvEqAqIqLkAkVkLkIkPfIwKaKfSaApQvWqWvEvMdAdQsDvEvRnRnDcIqFcEpRvEfSqHnHvTsAvVlGvLsEvYcLtPpGqVkAhKkRdLkLgHaCcRvDvLvGvEdEpFgDgFiLiTiWmFiEtFhAhPpEvHcSpSvAvFvNvEvLsLvLvRs...
NNRYSFIGGRTGQWQVVKIRNVLGPGLQLVEKVNILNGAVAEIPLDSAWRLQGFASNIRYAIRTELEALQAVQPMLNRAEAILAVLIPIKKSAQWWEMAQDERRDIFERESHHTAVGLEYLPGVAKRLLHCRDLGEEFDFLTWFEFAPEHSSAFNELLLRMRASKEWEYVEREVEVWLKRLNNRYSFIGGRTGQWQVVKIRNVLGPGLQLVEKVNILNGAVAEIPLDSAWRLQGFASNIRYAIRTELEALQAVQPMLNRAEAILAVLIPIKKSAQWWEMAQDERRDIFERESHHTAVGLEYLPGVAKRLLHCRDLGEEFD...
7OUA_4_k12
0
-4
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445184
223845
[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
EdSaAwSdQwFdTaDdPpTvTpGrFdQiFfTiGwIdTaDdPvVvHqDrVkTtYkGtFkVaFaPaPdLaAdTpSdGdAdQgSfTqEkFiIkGmEkViVkAgPwIlAlSfKqWkIkGkIkAfLqGqGaAdMqNaNdDaLwLmLkVmAwWgAdNdGdNfQdIiVqSiSaTiRfWhAdTdGpYpVdQwPtTfAhYaTpGwTdAkTdLkTdTfLdPpEvTfTgIdNdSdTtHiWtKmWtViFiRmCiQhGnCrTqEaWgNpNvGgGhGgIhDdVlTqSaQkGhVkLmAkWmAfFtSaNsVdAhVfDpDdPnSvDdPsQrStTtFg...
ESASQFTDPTTGFQFTGITDPVHDVTYGFVFPPLATSGAQSTEFIGEVVAPIASKWIGIALGGAMNNDLLLVAWANGNQIVSSTRWATGYVQPTAYTGTATLTTLPETTINSTHWKWVFRCQGCTEWNNGGGIDVTSQGVLAWAFSNVAVDDPSDPQSTFSEHTDFGFFGIDYSTAHSANYQNYLN
1D7D_4_k12
0
-2.8
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[0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
174
P16928
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdTfTeLkTaVfDaLqSvTfTfYaQdRaIaDqGwFeGaTaSeEcAaFlQlRlAlVvQqMlSvRlLfPdEpEvGqQvRvRvAlLlDcVqLhFcSaTlTpNpGhAlGnLgSqIeLyReNyGeIqGfSqSaPlDdMpSpSrDsHgMfVhShIqAqPqKdSaPpGqSaPlNpNdPdLtIdYgSdWdDpGvSqDrNsKvQvLlWvVsSqQcEcAnVcHvTvYrGnVrKqTeIyYaAyDaAyWqSaAhPhGlYcMqKfTlNnGsNhDqAaNqGaGtTaLgCdGqLfSvGvArQpCdApSrGgDhWnRlQlAvYlAlDvYrLqTlKv...
GTTLTVDLSTTYQRIDGFGTSEAFQRAVQMSRLPEEGQRRALDVLFSTTNGAGLSILRNGIGSSPDMSSDHMVSIAPKSPGSPNNPLIYSWDGSDNKQLWVSQEAVHTYGVKTIYADAWSAPGYMKTNGNDANGGTLCGLSGAQCASGDWRQAYADYLTKYVEFYQESNVTVTHLGFINAPELTTSYASMRFSASQAAEFIRILYPTIQKSNLTYKPTIACCDAEGWNSQAGMLGALSSVNSMFGLVTAHAYTSQPGFSMNTPHPVWMTAAADLQGAWTSAWYSYGGAGEGWTWANNVYNAIVNGNASAYLYWIGAQTGN...
8P67_5_k12
0
-2.5
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174
P12931
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4CGG_2_k12
0
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s77
P9WGS5
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][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][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=CH...
NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCN[C@H]54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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GPLTGKVAFITGAARGQGRAHAVRLAADGADIIAVDLCDQIASVPYPLATPEELAATVKLVEDIGSRIVARQADVRDRESLSAALQAGLDELGRLDIVVANAGIAPMSAGDDGWHDVIDVNLTGVYHTIKVAIPTLVKQGTGGSIVLISSSAGLAGVGSADPGSVGYVAAKHGVVGLMRVYANLLAGQMIRVNSIHPSGVETPMINNEFTREWLAKMAAATDGAMGNAMPVEVLAPEDVANAVAWLVSDQARYITGVTLPVDAGFLNK
3SX2_1_k12
1
-12.2
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78057
P09668
[OH0][Branch1][=Branch2][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH3][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH3]
CCOCCOCCOCCOCCOCC
GdTkFdLkFdTkSfEkSfVkGfEcGqHaPqDqKlIlCqDlQlIlSlDlAlVvLlDlAqHqLlQvQpDfPlDpAkKfVwAdCwEkTwVkAfKaTqGlMeIiLeLiAaGeEaIiTdSgRpAdAdVdDdYsQlKvVsVsRlEvAsVvKvHvIlGpYqDcDdSvSqKqGrFhDhYsKvTrCgNdVyLhVyAhLyEyQhQpSdPpDvIlAcQvGlVfHpLpDpRdNdElElDfIgGaAqGsDaQwGwLkMwFkGaYkAfTfDqEqTdEpEqCrMaPdLpTfIlVlLlAnHlKqLlNnAvKlLlAvEvLcRcRvNvGvTvLqPvWf...
GTFLFTSESVGEGHPDKICDQISDAVLDAHLQQDPDAKVACETVAKTGMILLAGEITSRAAVDYQKVVREAVKHIGYDDSSKGFDYKTCNVLVALEQQSPDIAQGVHLDRNEEDIGAGDQGLMFGYATDETEECMPLTIVLAHKLNAKLAELRRNGTLPWLRPDSKTQVTVQYMQDRGAVLPIRVHTIVISVQHDEEVCLDEMRDALKEKVIKAVVPAKYLDEDTIYHLQPSGRFVIGGPQGDAGLTGRKIIVDTYGGWGAHGGGAFSGKDYTKVDRSAAYAARWVAKSLVKGGLCRRVLVQVSYAIGVSHPLSISIFHY...
7RXX_1_k12
0
-3.6
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174
A7LXT8
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
HdHfQwGwYdSfNpPpVlIfPfGfFwHfPaDlPkSaVwCeKdAdGdDqDkYiYkLiVwNgSaSdFwQqYkFpPpGgViPfLiFwHiSfKnDwLvVrHaWiEdQgIlGfNhCqLrThRdPcSlQqLfDfLnTqNlAiNwSqGaSfGaIwFdAhPwTyIwRdYdNdDpGqVkFiYkMiIwTfTfNhVrSvGdKdGtNtFwLiVwHmTdTsDdPpRnSdEhWiSdEgPtVqWdLaEdQdGhGaIgDqPwSdLwYdFdEdDpGnKwCiFkMiVwShNaPpDpGqYfIiNwLiCfEtIaDdPnMvTnGrKdQtLdSdSdSiKaRg...
HHQGYSNPVIPGFHPDPSVCKAGDDYYLVNSSFQYFPGVPLFHSKDLVHWEQIGNCLTRPSQLDLTNANSGSGIFAPTIRYNDGVFYMITTNVSGKGNFLVHTTDPRSEWSEPVWLEQGGIDPSLYFEDGKCFMVSNPDGYINLCEIDPMTGKQLSSSKRIWNGTGGRYAEGPHIYKKDGWYYLLISEGGTELGHKVTIARSRYIDGPYQGNPANPILTHANESGQSSPIQGTGHADLVEGTDGSWWMVCLAYRIMPGTHHTLGRETYLAPVRWDKDAWPVVNSNGTISLKMDVPTLPQQEMKGRPERIDFKEGKLSPEW...
5JOW_1_k12
0
-2.9
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679
Q9Z2X8
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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KVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPC
7OFE_1_k12
0
-2.4
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679
P9WQ81
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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LTPEQIIAVDGAHLWHPYSSIGSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACAVSVA...
3TFT_2_k12
0
-2.5
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444205
P0AA30
[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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PGEVCPGMDIRNNLTRLHELENCSVIEGHLQILLMFKTRPEDFRDLSFPKLIMITDYLLLFRVYGLESLKDLFPNLTVIRGSRLFFNYALVIFEMVHLKELGLYNLMNITRGSVRIEKNNELCYLATIDWSRILDSVEDNHIVLNKDDNEECGDICPGTAKGTNCPATVINGQFVERCWTHSHCQKVCPTICKSHGCTAEGLCCHSECLGNCSQPDDPTKCVACRNFYLDGRCVETCPPPYYHFQDWRCVNFSFCQDLHHKCKNSRRGCHQYVIHNNKCIPECPSGYTMNSSNLLCTPCLGPCPKVCHLLEGEKTIDSVT...
2HR7_1_k12
0
-3.6
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8172
P34913
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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PLGSRKCEKAGCTATCPVCFASASERCAKNGYTSRWYHLSCGEHFCNECFDHYYRSHKDGYDKYTTWKKIWTSNGKTEPSPKAFMADQQLPYWVQCTKPECRKWRQLTKEIQLTPQIAKTYRCGMKPNSDHCSLPEDLRVLEVSNHWWYSMLILPPLLKDSVAAPLLSAYYPDCVGMSPSCTGMNRYFQPFYQPNECGKALCVRPDVMELDELYEFPEYSRDPTMYLALRNLILALWYTNCKEALTPQKCIPHIIVRGLVRIRCVQEVERILYFMTRKGLINTGVLSVGADQYLLPKDYHNKSVIIIGAGPAGLAAARQL...
4GUT_2_k12
0
-3.2
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s712
P00157
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5AO4_1_k12
2
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174
P52895
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4XO6_3_k12
0
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s96
P0A2K1
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11957427
Q6TMK4
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1T1A_1_k12
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s1115
P07949
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NC1=C2NCN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2NCN1
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GPLSLSVDAFKILAAPKWEFPRKNLVLGKTLGEGEFGKVVKATAFHLKGRAGYTTVAVKMLKENASPSELRDLLSEFNVLKQVNHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGPGPDERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYEEDFYVKRSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMV
6FEK_2_k12
1
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s1087
P39051
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CNCC1=CN(CC(=O)Nc2sc3c(c2C(N)=O)CCCC3)N[C@@H]1C(C)(C)C
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3O6I_1_k12
2
-5.8
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s878
P29373
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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1JBP_2_k12
1
-10.1
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753
P27487
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdSpFdDdAlHqDfLqDdLlDvKcFlPlEvVvVlRlDvRlLlTvQvFlLlDvAvQcEvLvTvIqAvDvIvGhAvPvVsTvDvAlVvAvHvLlRnScFvVlLnNpGdGdKsRlIlRlPlLsYqAlWsAlGlFlLnAqAqQlGdHpKhNdSqSpEaKdLpEqSlVsLsDlAlAsAsSlLlEsFlIqQvAsClAvLvIlHvDvDvIvIvDlSpFvGvVvSvVsSsInLvAsGsDvMvAsLvVvWvAsEvDvMsLnQvDvSsGrLqSdApEqAlLvAvRlTlRcDvAlWvRvGqMqRvTvElVqIvGvGlQvLvLlDqIsYvLc...
SSFDAHDLDLDKFPEVVRDRLTQFLDAQELTIADIGAPVTDAVAHLRSFVLNGGKRIRPLYAWAGFLAAQGHKNSSEKLESVLDAAASLEFIQACALIHDDIIDSFGVSVSILAGDMALVWAEDMLQDSGLSAEALARTRDAWRGMRTEVIGGQLLDIYLESHANESVELADSVNRFKTAAYTIARPLHLGASIAGGSPQLIDALLHYGHDIGIAFQLRDDLLGVFGDPAITGKPAGDDIREGKRTVLLALALQRADKQSPEAATAIRAGVGKVTSPEDIAVITEHIRATGAEEEVEQRISQLTESGLAHLDDVDIPDEV...
3LK5_1_k12
0
-3.9
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s635
P01558
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Ring2][S][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@][Branch1][C][CH3][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][CH1][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][CH2][CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][CH2][SH0][H][=...
CC(C)(CO[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)[C@@H](O)C(O)NCCC(=O)NCCS
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MQKIGIYPGTFDPVTNGHIDIIHRSSELFEKLIVAVAHSSAKNPMFSLDERLKMIQLATKSFKNVECVAFEGLLANLAKEYHCKVLVRGLRVVSDFEYELQMGYANKSLNHELETLYFMPTLQNAFISSSIVRSIIAHKGDASHLVPKEIYPLISKAMQKIGIYPGTFDPVTNGHIDIIHRSSELFEKLIVAVAHSSAKNPMFSLDERLKMIQLATKSFKNVECVAFEGLLANLAKEYHCKVLVRGLRVVSDFEYELQMGYANKSLNHELETLYFMPTLQNAFISSSIVRSIIAHKGDASHLVPKEIYPLISK
3OTW_1_k12
1
-9
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64960
P42179
[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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3WDR_3_k12
0
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6503
P00338
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1MW2_3_k12
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Q9H2K2
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3R4I_1_k12
0
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5997
P05025
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH0][=CH1][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][CH2][C@@H1][Branch1][C][CH3][CH3]
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
LdDlEpLvKlKlEaVdSdMdDdDdHlKvLdSaLpDvErLlHcNvKvYqGvTfDdLpTfRqGwLaTaNpAvRvAlKvEvIqLcAvRvDvGhPwNqSaLfTdPfPdPdTdTdPdEvWvIcKlFlCvRvQqLcFdGaGqFlSnIvLlLlWlIvGlAlIvLlClFvLvAlYvGvIvQcAvApTpEpDnEdPpAdNcDvNsLvYvLsGsVvVvLsSvTvVlVsInVvTlGsCvFlSvYsYqQqEfAdKaSqSfRdIqMrDvSlFlKrNvMqVaPdQqQwAfLwVwIrRhDrGnEdKiSdTiIdNgAlErFsVdVgAfGhDtLkVt...
LDELKKEVSMDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSLTPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNLYLGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTINAEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEFSSENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVGRTPIAIEIEHFIHIITGVAVFLGVSFFILSLILGYSWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRM...
5AW6_2_k12
1
-8.3
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174
P56373
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
FdFpTdYdEdTdPdKdVdIdVdVdKdSdWpTvIlGvIvIvNlRvVvVlQlLvLvIlIvSvYcFcVcGvWpVvFpLvHpEvKpAlYqQwVdRkDfTfAdIkEdSkSfVkVfTkKdVkKaGdSwGwLaYdApNnRdViMdDtVpSvDrYaVwTpPpPhQrGgTgSlVkFiVwIgIfTwKaMkIqVkTdEfNwQwMfQwGdFkCdPfEdSdEdEpKvYfRfCdVdSaDlScQpCqGdPpEpRpLqPdGdGfGaIgLfTpGsRgCwVaNdYpSdSpVvLtRiTgCtEmIgQtGhWtCdPdTdEgVdDpTpVdEgTdPdItMtMv...
FFTYETPKVIVVKSWTIGIINRVVQLLIISYFVGWVFLHEKAYQVRDTAIESSVVTKVKGSGLYANRVMDVSDYVTPPQGTSVFVIITKMIVTENQMQGFCPESEEKYRCVSDSQCGPERLPGGGILTGRCVNYSSVLRTCEIQGWCPTEVDTVETPIMMEAENFTIFIKNSIRFPLFNFEKGNLLPNLTARDMKTCRFHPDKDPFCPILRVGDVVKFAGQDFAKLARTGGVLGIKIGWVCDLDKAWDQCIPKYSFTRLDSVSEKSSVSPGYNFRFAKYYKMENGSEYRTLLKAFGIRFDVLVYGNAGKFNIIPTIISSV...
6AH5_1_k12
0
-2.3
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53932567
P02945
[C@H1][Branch2][Ring1][#C][CH2][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3][Branch2][Ring1][=C][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][C...
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
TdGpRdPlElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKqGcMvGvVpSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAsFnTvMlYsLvScMvLsLvGpYnGqLwTdMwVaPaFaGdGhEdQiNfPiIdYrWlAsRvYlAvDnWqLlFsTnTvPlLsLlLlLvDsLlAcLsLlVlDvAhDdQpGvTvInLvAlLlVnGvAlDsGnIlMlIsGvTlGqLsVcGlAlLrTdKhVyYqSvYcRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYvVcLlFvFpGvFsTlSvKsAlEvSpMdRd...
TGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFG
2ZFE_5_k12
0
-4.3
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8117
O87939
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7L1H_1_k12
0
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447053
P01857
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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6BZ4_5_k12
0
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444205
P25774
[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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7RDH_1_k12
0
-4.2
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64960
P16630
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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2JEN_5_k12
0
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1567
Q9UNA4
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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1RJE_1_k12
0
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174
Q05323
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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STSSRCLVRGSVNIDEFFHLPHIVRPGETISSTGLTKRAGGKGANQAFAVARAGGQVELDGAIGDDGIWVKEMLESAGVGTDKLKIVKDEVTGRAVIQSAADGENSIVLHAGANYYLPSPTTSLATYTHLLVQNEVPLSSTLAYLTAAGQSSPPLTSVFNPSPMLTPAQLREFPWKHLSWLIVNEGELGDLLLAFGSSANPGEAKEDELQAKASAGILELHENDYFSKNVGIICTLGAKGILCYEPGKEVGYLPAAKLQNPVKDTTGAGDCFAGYFVAGLMSGKSLQDALKTCLVACGICVENEGAMESVPTLNAVKERL
6XK2_2_k12
0
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440641
Q5R997
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O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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PLELTQSRVQKIWVPVDHRPSLPRSCGPNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQWKALNEI...
4D4J_1_k12
1
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s163
P60052
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QPIDADVTVIGSGPGGYVAAIKAAQLGFKTVCIEKNETLGGTCLNVGCIPSKALLNNSHYYHMAHGKDFASRGIEMSEVRLNLDKMMEQKSTAVKALTGGIAHLFKQNKVVHVNGYGKITGKNQVTATKADGGTQVIDTKNILIATGSEVTPFPGITIDEDTIVSSTGALSLKKVPEKMVVIGAGVIGVELGSVWQRLGADVTAVEFLGHVGGVGIDMEISKNFQRILQKQGFKFKLNTKVTGATKKSDGKIDVSIEAASGGKAEVITCDVLLVCIGRRPFTKNLGLEELGIELDPRGRIPVNTRFQTKIPNIYAIGDVV...
6I4T_2_k12
1
-13.9
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s740
Q8BHN3
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COc1cc(C(=O)N2CCC(N3CCN(C)CC3)CC2)ccc1NC1NCC2=C(N1)N(C)c1ccccc1C(=O)N2C
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5OOT_1_k12
1
-9.3
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s732
P12821
[C@H1][CH2][C@@H1][Branch2][Ring1][=N][OH0][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][NH0][Ring1][Branch2][H][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][#Branch2][CH2][NH0][Ring2][Ring1][Branch1][CH0][=Branch1][C][=OH0][C@@H1][Branch2][Ring1][C][NH0][Branch1][C][H][CH0][=B...
COc1ccc2c(c1)NC(O[C@@H]1C[C@@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4C=CCCCCC[C@H](NC(=O)OC4(C)CC4)C(=O)N3C1)=C(C)N2
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6PIZ_3_k12
1
-11.4
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8146
Q9FWA3
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH3]
CCOCCOCCO
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6FQX_4_k12
0
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