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
6503
P17164
[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
SdDvTlVlEvWcFqKlQpAqKlYeGaMaMeIeHeWeGdLlYlSqLaLvGqGqEdYdQpGhKdSgSqSdNlYaAsEvWqVaQcSqKqLvQvIdPpNpKvErYsElRvLsTqQaAlFqNaPqIqYpFaDdAlDlAvIvIvDvLlAcKvRlClGsMhQqYaLyVeVyTeTqKaHdHlDqGgFqAgMqYaRdSaLpVlDdPcYsNyVnYqDnArThPpFnHnRdDrVpIlGqErLnSlLvAsCcRvKvAsGnLhRaFyGaLyYeYySaQlDaLhDhWqHvEdPlDqGgGhGqYvLvSpNqDvIpEdTdAsGhTrTtWsDyNsSc...
SDTVEWFKQAKYGMMIHWGLYSLLGGEYQGKSSSNYAEWVQSKLQIPNKEYERLTQAFNPIYFDADAIIDLAKRCGMQYLVVTTKHHDGFAMYRSLVDPYNVYDATPFHRDVIGELSLACRKAGLRFGLYYSQDLDWHEPDGGGYLSNDIETAGTTWDNSWDFTGEKNYDRAFKHKIMPQIEEIMSNYGEISVAWFDVPMTLSDEQSQTIYDTVKRLQPDCLINSRLGNGRYDYVSLGDNEIPEDSDASDKVDYNSIEGFKPSKLGLYETAGTINDSWGFAYHDQNWKSPQTIHDYKAHLNKYGINYLLNVGLDGLGRVP...
8P1S_2_k12
2
-5
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4713218
P16213
[NH0][Branch1][C][H][Branch1][C][H][CH2][SH0][H]
NCS
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MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
2AV1_2_k12
0
-1.4
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s659
P00374
[CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][C@@H1][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H][=OH0][=CH1][CH1][=CH0][Branch2][Ring2][Branch2][NH0][Branch1][C][H][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][NH0][Ring1]...
NC1NC(=O)C2=C(NC=C(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)N2)N1
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SLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
6VCJ_3_k12
1
-9.5
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679
P41365
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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3EV0_1_k12
0
-1.8
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101416221
P30405
[C@H1][Branch1][Ring1][OH0][H][CH2][OH0][C@@H1][CH2][C@H1][Ring1][Branch2][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][O][Ring1][=Branch1]
O[C@H]1CO[C@@H]2C[C@H]1Nc1ccccc12
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GNPLVYLDVDANGKPLGRVVLELKADVVPKTAENFRALCTGEKGFGYKGSTFHRVIPSFMCQAGDFTNHNGTGGKSIYGSRFPDENFTLKHVGPGVLSMANAGPNTNGSQFFICTIKTDWLDGQHVVFGHVIEGMDVVKKIESFGSKSGRTSKKIVITDCGQLS
7ZDN_1_k12
2
-6.4
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s645
Q9JXK7
[NH0][Branch2][Ring1][#Branch2][CH0][=Branch1][C][=OH0][CH0][=CH1][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH1][Ring1][=N][Branch1][C][H][CH1][NH0][Branch1][O][CH2][C@][Branch1][C][CH3][Branch1][C][CH3][OH0][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1]...
CC(C)(O)CN1c2ccccc2NC1NC(=O)C1=CCNC(c2ccccc2)=C1
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SMGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELRTSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPEEDMDDVVDADEYLIP
6S9C_2_k12
1
-9.5
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s686
Q04771
[CH0][Branch2][Ring1][Branch1][CH0][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][N][=CH0][Branch1][C][CH3][CH0][Branch2][Ring1][=Branch1][CH0][=CH1][CH1][=CH0][Branch1][N][C@H1][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][CH1][=CH1][Ring...
COc1cc(C2=C(C)C(c3ccc(C4CCN(C)CC4)cc3)=CNC2)cc(OC)c1OC
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RTVARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S83_1_k12
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674
P96110
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4R7C_3_k12
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439846
P16083
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5QYI_1_k12
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16054
Q5VYS8
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4B3C_1_k12
2
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64960
925875
[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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4XOR_3_k12
2
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5288834
P9WP55
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CC(C)(C)O
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2Q3C_1_k12
0
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154440804
P04058
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH1][=CH1][OH0][H]
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3IIB_1_k12
0
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867
Q9UYR9
[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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5AA5_1_k12
0
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8189
P09958
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCOC
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8ISO_2_k12
0
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1567
Q2TW47
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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8U05_2_k12
0
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985
P03313
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4GB3_1_k12
2
-6.8
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s697
P0DTD1
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)NCC(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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6XHC_1_k12
2
-6.9
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867
A0R2E6
[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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TLVPDLTATDLARHRWLTDNSWTRPTWTVAELEAAKAGRTISVVLPALNEEETVGGVVETIRPLLGGLVDELIVLDSGSTDDTEIRAMAAGARVISREVALPEVAPQPGKGEVLWRSLAATTGDIIVFIDSDLIDPDPMFVPKLVGPLLLSEGVHLVKGFYRRPLGGRVTELVARPLLAALRPELTCVLQPLGGEYAGTRELLMSVPFAPGYGVEIGLLVDTYDRLGLDAIAQVNLGVRAHRNRPLTDLAAMSRQVIATLFSRCGVPDSGVGLTQFFSPRTSEVSLVDRPPMNTLRGKLAAAL
7P8G_2_k12
0
-4.8
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s850
P01857
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CCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1
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6E7S_3_k12
1
-10.3
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6VPL_2_k12
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444205
572766
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985
Q6P9V9
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7A78_2_k12
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s733
P51857
[CH0][=CH0][Branch2][Ring1][P][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch1][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][C][CH3][=CH1][Ring1][=Branch2][CH2][CH2][CH2][CH2][Ring2][Ring1][Branch2]
COc1ccc(CN2CNc3cc4c(cc32)CCCC4)cc1C
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4NZ9_1_k12
1
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311
P20171
[C@@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
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6VM8_1_k12
0
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24764440
P16442
[CH0][Branch2][Ring1][Ring1][CH0][Branch1][#C][NH0][CH2][C@H1][Branch1][C][CH3][CH2][C@H1][Branch1][C][CH3][CH2][Ring1][Branch2][=OH0][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][CH0][Branch1][C][BrH0][=CH1][Ring2][Ring1][Ring2]
C[C@@H]1C[C@H](C)CN(C(=O)c2cc(Br)ccc2N)C1
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HMSYTWTGALITPCAAEESKLPINALSNSLLRHHNMVYATTSRSAGLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSVEEACKLTPPHSAKSKFGYGAKDVRNLSSKAVNHIHSVWKDLLEDTVTPIDTTIMAKNEVFCVQRKPARLIVFPDLGVRVCEKMALYDVVSTLPQVVMGSSYGFQYSPGQRVEFLVNTWKSKKNPMGFSYDTRCFDSTVTENDIRVEESIYQCCDLAPEARQAIKSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKASAACRAAKLQDCTMLVNGDDLVVICE...
3CJ2_1_k12
1
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s729
G5EBR3
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CCCC(C)=CCOC(=O)CCC1=C(C)c2cc3[nH]c(cc4[nH+]c(cc5[nH]c6c(c5C)C(=O)[C@H](C(=O)OC)c6c1[nH+]2)C(CC)=C4C)c(C(C)=O)c3C
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ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHEDTFFRDLVGYSIGTLGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGINGYQNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGW...
1DV6_3_k12
1
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52936713
Q923E4
[C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][C@][Branch1][=N][CH0][=Branch1][C][=CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][C@H1][Ring1][#C][CH2][CH0][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][=CH0][Ring2][Ring1][Ring1][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
C=C(c1ccccc1)[C@@]12CC[C@@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1
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SIPHLILELLKCEPDEPQVQAKIMAYLQQEQANRSKHEKLSTFGLMCKMADQTLFSIVEWARSSIFFRELKVDDQMKLLQNCWSELLILDHIYRQVVHGKEGSIFLVTGQQVDYSIIASQAGATLNNLMSHAQELVAKLRSLQFDQREFVCLKFLVLFSLDVKNLENFQLVEGVQEQVNAALLDYTMCNYPQQTEKFGQLLLRLPEIRAISMQAEEYLYYKHLNGDVPNLLIEMLHA
5SYZ_1_k12
1
-8.8
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7314936
P9WNX1
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Cc1ccc2c(c1)NC(=O)[C@@H](C)O2
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444863
Q07817
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C[C@@H]1O[C@H](O)[C@@H](O)[C@H](O)[C@@H]1O
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2WCU_1_k12
2
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558181
P0DTC1
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CC(C)OP(O)OC(C)C
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1P8V_2_k12
0
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3A0H_1_k12
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3R27_1_k12
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0]
[0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,1,0,0,0,0]
s988
P06010
[CH1][=Branch2][Ring2][=Branch2][=CH0][Branch1][C][CH3][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][CH2][C@@H1][C@][Branch1][=Branch1][C@H1][Branch1][C][CH3][CH3][C@@][Branch1][C][CH3][Branch1][C][CH3][C@H1][Ring1][=Branch2][Ring1][Branch2][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=...
CC(C=CC=C(C)C=CC=C(C)C[C@H]1[C@H]2C(C)(C)[C@@]12C(C)C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCCC(C)C
AdDpYcQvTlIvYwTnQpIdQaAdRdGdPdHdIdTdVqSfGfEqWdGqDpNvDqRfVdGdKdPwFdYfSdYpWvLcGnKgIvGhDgArQtIdGdPgIdYgLcGdAdSlGnIvAlAlFcAvFlGlSvTvAlIvLvIlIwLlFvNqMqAcAvEvVvHpFnDdPvLvQvFcFvRvQcFqFqWvLgGwLaYaPaPaKpAdQwYpGfMqGpIqPdPdLnHvDgGhGnWsWvLvMsAsGvLvFsMnTlLsSsLlGvSsWvWlIcRvVlYqSvRvAqRnArLnGvLhGdTsHlIvAsWvNlFsAvAlAvIsFlFlVlLcClIqGaCp...
ADYQTIYTQIQARGPHITVSGEWGDNDRVGKPFYSYWLGKIGDAQIGPIYLGASGIAAFAFGSTAILIILFNMAAEVHFDPLQFFRQFFWLGLYPPKAQYGMGIPPLHDGGWWLMAGLFMTLSLGSWWIRVYSRARALGLGTHIAWNFAAAIFFVLCIGCIHPTLVGSWSEGVPFGIWPHIDWLTAFSIRYGNFYYCPWHGFSIGFAYGCGLLFAAHGATILAVARFGGDREIEQITDRGTAVERAALFWRWTIGFNATIESVHRWGWFFSLMVMVSASVGILLTGTFVDNWYLWCVKHGAAPDYPAYLPATPDPASLPG...
2I5N_6_k12
1
-8.8
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44567800
P15813
[C@H1][Branch2][Ring1][N][CH2][OH0][C@@H1][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][Branch2][Ring2][Ring1][NH0][Branch2][Ring1][=C][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][C...
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
RdLpFfPwLkRkCkLkQwIkSwSwFfAqNdSlSpWdTiRwTiDwGiLfAmWgLgGrElLdQtTaHwStWgSgNsDvSdDlTfViRdSgLdKdPpWcSsQfGfTqFdSdDpQvQsWrEvTvLvQrHvIvFvRsVvYcRvSvSvFvTvRvDvVvKsEvFlAcKvMvLlRvLdShYtPrLwEmLkQmVwSiAwGaCwEdVaHdPpGdNdAaStNdNiFwFiHwVmAdFiQpGpKhDtIaLwSiFqQdGqTqSaWiEdPgTdQpEvAhPdLvWcVsNvLvAvIrQvVvLrNvQvDpKnWvTvRsEvTvVvQnWcLvLtNrGpTv...
RLFPLRCLQISSFANSSWTRTDGLAWLGELQTHSWSNDSDTVRSLKPWSQGTFSDQQWETLQHIFRVYRSSFTRDVKEFAKMLRLSYPLELQVSAGCEVHPGNASNNFFHVAFQGKDILSFQGTSWEPTQEAPLWVNLAIQVLNQDKWTRETVQWLLNGTCPQFVSGLLESGKSELKKQVKPKAWLSRGPSPGPGRLLLVCHVSGFYPKPVWVKWMRGEQEQQGTQPGDILPNADETWYLRATLDVVAGEAAGLSCRVKHSSLEGQDIVLYWHHHNQVEQSPQSLIILEGKNCTLQCNYTVSPFSNLRWYKQDTGRGPVS...
2PO6_3_k12
1
-9.5
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[0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,1,0,1,1,0,0,0,1,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,1,1,0,0,1,1,0,0,1,0,0,0...
11061290
P36837
[C@@H1][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][Branch2][Ring1][=Branch1][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCC
LdTaIfEaDdIdHdDdVpEvElLvRvAlVlDvEvFlRvNvLvLcVvSvEvNvLlLdPdPvTvLqDpDdYsHvIsMsLsRlFlLcKvAlRvKvFsDpIsGvKvTsKvLvMlWsSnNvMqIsKvWcRcKvDvFlGvTlDvTcIlFvEpDpFdEdFlEvElFvDvEqVlLcKqYqYkPqHkGaYwHfGaVaDwKpEqGlRaPiVeYiIeEtRaLqGlLrVhDdPpAvKsLnMvQvVrTdTdVlEsRnFvIlRsYvHvVsRnEvFvEvKcTcVqNqIqKaLqPlAlCsCsIvAvAnKsRyHrIgDqSaShTeTyIeLyDeVcQa...
LTIEDIHDVEELRAVDEFRNLLVSENLLPPTLDDYHIMLRFLKARKFDIGKTKLMWSNMIKWRKDFGTDTIFEDFEFEEFDEVLKYYPHGYHGVDKEGRPVYIERLGLVDPAKLMQVTTVERFIRYHVREFEKTVNIKLPACCIAAKRHIDSSTTILDVQGVGFKNFSKPARDLIIQLQKIDNDNYPETLHRMFIINGGSGFKLVWATVKQFLDPKTVTKIHVIGNKYQNKLLEIIDASQLPDFLGGTCTCADRGGCMRSDKGPWNDPEILKMLQSGGPLCRHNSALNSLE
7Y10_1_k12
1
-7.7
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174
P26394
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6NDR_1_k12
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s604
O66747
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4YAU_1_k12
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445184
P03367
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s179
Q9ZER0
[CH2][Branch1][=Branch2][NH0][CH2][CH2][OH0][CH1][=CH1][Ring1][=Branch1][CH2][S@@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1C=COCC1
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IGTGFPFDPHYVEVLGSRMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYRFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARELFQAFRTPDVGRELIIDQNAFIEGILPKFVVRPLTEVEMDHYREPFLKPVWREPLWRFPNELPIAGEPANIWALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNLKTVFIGPGLHYLQEDNPDLIGSEIARWLPALEIGTGFPFDPHYVEVLGSRMHYVDVGPRDG...
6TY7_3_k12
0
-4.2
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3035
P39900
[ClH0][CH0][Branch1][C][ClH0][=CH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1]
ClC(Cl)=C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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SLALSLTADQMVSALLDAEPPILYSEYFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHR
5KRA_2_k12
1
-8.6
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31275
Q28749
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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MLDAPTDLQVTNVTDTSITVSWTPPSATITGYRITYTPSNGPGEPKELTVPPSSTSVTITGLTPGVEYVVSVYALKDNQESPPLVGTQTTGGHHHHHH
3TEU_1_k12
0
-2.1
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446996
Q8JZL3
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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4GWI_2_k12
0
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79025
P11310
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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6ZRA_1_k12
0
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154440804
P0C0Y8
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH1][=CH1][OH0][H]
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8TVT_6_k12
0
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5288834
Q27082
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CC(C)(C)O
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3GZB_3_k12
0
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753
Q56989
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3DDR_1_k12
0
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753
P09874
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6VKK_2_k12
0
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753
O54288
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6MES_3_k12
0
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753
P53355
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3ESY_2_k12
0
-3.6
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5288834
O69753
[CH3][C@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
C[C@H](O)CC(C)(C)O
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SKLLELLRKLLEALHKAIELLEKW
6C51_2_k12
0
-2.5
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31291
O26232
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH1][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
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8P0M_4_k12
2
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s506
O67518
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Cc1ccccc1CSC1NNCN1N
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5DCH_3_k12
2
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753
P82597
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7E04_1_k12
0
-3.9
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537294
P52333
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CCCCCCCCCCCCCCCCCCCC(=O)OC(CO)CO
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4AZQ_1_k12
2
-6
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117942007
P29401
[CH0][Branch2][Ring1][Branch2][OH0][CH2][CH0][=CH0][Branch1][C][CH3][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH1][CH1][=CH1][Ring1][=N][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][S][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][H][CH0][Branch1][...
COc1cc(OCc2cccc(-c3ccccc3)c2C)cc(OC)c1CN[C@H](C)C(=O)O
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6NM8_1_k12
1
-10.7
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753
Q6GKU0
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4N1J_1_k12
0
-3.1
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177
Q17427
[CH1][=Branch1][C][=OH0][CH3]
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1U19_5_k12
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10012059
P54818
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123991
Q8X9S9
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7N2X_1_k12
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P11838
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702
P9WIL5
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448056
P0A1F6
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4M7J_2_k12
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8172
I1RDA9
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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FTTVNVNYPEGEVVGVSVLGIESFRGVPFAQPPVGNLRLKPPVRYTENIGTKDTTGIGPSCPQMYLSTGNGELLFQLVGNLINIPLFQTATLSSEDCLTLNIQRPAGTTSNSSLPVLFWIFGGGFELGTNQYYDGIDLLTEGISLGEPFIFVAINYRVGGFGFLGGKEIKADGSSNLGLLDQRIALEWVADNIASFGGDPSKVTIWGESAGSISVFDQMALYGGNNKYKGKALFRGGIMNSGSVVPAAPVDGVKAQAIYDHVVSEAGCAGTSDTLACLRTVDYTKFLTAVNSVPGIVSYSSIALSYLPRPDGVVLIDSPE...
4UPD_3_k12
0
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s171
Q8ZNC4
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NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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SMLIDLITSYRKTAAIYTFVDAGLSIHFKNGDYVDINKLASQYGIDYSRLNRLCDFLIEIGVLVSSDHGVALSEECSALADPNSVEFLTVKYEINSEHWDSWLMYPKSLLENNGKSAFEMVHGKSFFEHLDSNKGLKSDFDALMSKYTNKIIKELLVIYDFDKHNRILDLGGGDGELLIRISEQVKGKDYTVLDRYNEVPISEGINFIKGDFFKPIPTGYDLYILKNVLHNWPDNDAISILKNCREAMDNNATLLIITLMKKPQSLVVKSVDILMDMLFSAKQRYLSEFEDIANQAGLVIRHYKDLDEIFSLIELKVK
8BIG_1_k12
1
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448400
P43629
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch1][O][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][CH2][CH2][C@@H1][Branch1][C][CH3][CH3]
CC(C)CCO[P@@](=O)(O)OP(=O)(O)O
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MNLEKINELTAQDMAGVNAAILEQLNSDVQLINQLGYYIVSGGGKRIRPMIAVLAARAVGYEGNAHVTIAALIEFIHTATLLHDDVVDESDMRRGKATANAAFGNAASVLVGDFIYTRAFQMMTSLGSLKVLEVMSEAVNVIAEGEVLQLMNNYMRVIYSKTARLFEAAAQCSGILAGCTPEEEKGLQDYGRYLGTAFQLIDDLLDYNAVGDDLNEGKPTLPLLHAMHHGTPEQAQMIRTAIEQGNGRHLLEPVLEAMNACGSLEWTRQRAEEEADKAIAALQVLPDTPWREALIGLAHIAV
3WJO_1_k12
2
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s93
Q33862
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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)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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SNIAQYKVIDHAYDVVIIGAGGAGLRAAMGLGEAGFKTAVVTKMFPTRSHTTAAQGGINAALGSMNPDDWKWHFYDTVKGSDWLGDQNAMHYLTRNAVEAVTELENFGMPFSRTPEGKIYQRSFGGQSNNYGKGGVAKRTCCVADRTGHSMLHTLYGNSLRCHCTFFIEYFALDLLMDKGRCVGVIALCLEDGTIHRFRSKRTIVATGGYGRAYFSCTTAHMNTGDGTALATRAGIALEDLEFIQFHPTGIYGVGCLITEGSRGEGGFLVNSEGERFMERYAPKAKDLASRDVVSRAETIEIMEGRGVGPEKDHIYLQLH...
4YSZ_1_k12
1
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3931
A4IKE7
[CH2][Branch1][=N][CH2][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH3]
CCCCCC=CCC=CCCCCCCCC(=O)O
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6YXD_2_k12
1
-7.7
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3GMN_4_k12
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86030
P00431
[SH0][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][=CH1][Ring1][=Branch2]
NC1NC=CS1
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LVHVASVEKGRSYEDFQKVYNAIALKLREDDEYDNYIGYGPVLVRLAWHISGTWDKHDNTGGSYGGTYRFKKEFNDPSNAGLQNGFKFLEPIHKEFPWISSGDLFSLGGVTAVQEMQGPKIPWRCGRVDTPEDTTPDNGRLPDADKDAGYVRTFFQRLNMNDREVVALMGAHALGKTHLKNSGYEGPGGAANNVFTNEFYLNLLNEDWKLEKNDANNEQWDSKSGYMMLPTDYSLIQDPKYLSIVKEYANDQDKFFKDFSKAFEKLLEDGITFPKDAPSPFIFKTLEEQGL
1AEV_1_k12
0
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444205
Q2G506
[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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1NMA_1_k12
0
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444205
P41480
[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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EARRTRKYLELYIVADHTLFLTRHRNLQHTKQRLLEVANYVDQLLRTLDIQVALTGLEVWTERDRSRVTQDANATLWAFLQWRRGLWAQRPHDSAQLLTGRAFQGATVGLAPVEGMCRAESSGGVSTDHSELPIGAAATMAHEIGHSLGLSHDPDGCCVEAAAESGGCVMAAATGHPFPRVFSACSRRQLRAFFRKGGGACLSNAP
1R54_1_k12
0
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79738
Q9ULY5
[CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][Ring2][CH2][OH0][H][=CH1][CH1][=CH1][Ring1][=N]
COc1cccc(CO)c1OC
AdEaLwSdCwYdNdSvVdKiNwCtCdPrLpKqWwFdHdFdQdSqSkCtYkLhFfSdPpDwTwMfSfWqRvAvSqLqKvNvClSvSvMvGvAwHgLfVdVdIqNdTdQlEvEsQlElFvLcYlYvTpKpPdRaKpKfEkFaYfIgGqLwTwDcQvVvTpEpGpQlWiQaWgVnDvGrTdPdFdTdKpSvLpSaFqWaDaAvGpEpPpNvNcLpVvTvVaEqDtCtAkTiIfRhDdSdSpNdPsRsQhNgWiNyDtVhPhCrFgFdNtMgFiRtVmCiEmMdPgEtRdKd
AELSCYNSVKNCCPLKWFHFQSSCYLFSPDTMSWRASLKNCSSMGAHLVVINTQEEQEFLYYTKPRKKEFYIGLTDQVTEGQWQWVDGTPFTKSLSFWDAGEPNNLVTVEDCATIRDSSNPRQNWNDVPCFFNMFRVCEMPERK
5KTI_2_k12
0
-4
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174
P00525
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
IdRqFfFdEqLwNpTlGrAdKtLaPgCqVeGeLaGeTcYqAvMaVaAlTvAlIlElQlAlIvKvIlGpYhRaHhIyDeCeAeSvIlYsGvNcElKlEsIqGlGvVsLvKcKvLcIcGvDvGvFvVdKpRnEvEsLhFaIyTeSyKeLdWaSqNqDqHqLaPlEvDrVlPvKvArLlEvKvTsLcQvDsLnQvIhDqYaVhDqLeYyLeIhHeWaPqAwShLfKhKnEvSdLrMfPfTaPlEqMgLtTdKdPhDdIvTlSsTsWvKvAsMvEvAvLcYcDvSvGrKnAhRvAaIyGaVySeNlFaSaSpKvKrLlTvDvLc...
IRFFELNTGAKLPCVGLGTYAMVATAIEQAIKIGYRHIDCASIYGNEKEIGGVLKKLIGDGFVKREELFITSKLWSNDHLPEDVPKALEKTLQDLQIDYVDLYLIHWPASLKKESLMPTPEMLTKPDITSTWKAMEALYDSGKARAIGVSNFSSKKLTDLLNVARVTPAVNQVECHPVWQQQGLHELCKSKGVHLSGYSPLGSQSKGEVRLKVLQNPIVTEVAEKLGKTTAQVALRWGLQTGHSVLPKSSSGARLKENLDVFDWSIPEDLFTKFSNIPQEKFCRATEFAHETHGFYKTIEELWDGEI
3H7R_2_k12
0
-2.3
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53245662
Q96T66
[CH2][Branch1][=C][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][=N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][CH3][OH0][H][OH0][H]
CCCCCCCCC(=O)OC[C@@H](O)CO[P@](=O)(O)OC
MdYlLvRvIlTlNcIvVlEvSdSdFcFnTlKvFvIlIlYvLvIlVvLvNlGlIvTlMvGvLqEcTpSdKpTvFsMcQvSpFcGvVvYvTnTvLvFsNlQvIvVsIlTvIvFlTvIvEsIlIvLsRvIcYsVnHqRpIvSnFqFvKvDdPpWlSsLvFqDsFvFvVlVsAvIlSvLvVpPdTcSdSdGdFdEcIpLsRvVvLsRnVsLvRcLnFcRnLnVlTsAsVdPdQvMsRvKvIvVvSvAvLvIvSvVlIvPvGvMcLvSvVvIvAvLvMvTvLvFvFlYqIvFlAlIvMvAqTcQvLpFpGcEvRpFcPvEcWqFr...
MYLRITNIVESSFFTKFIIYLIVLNGITMGLETSKTFMQSFGVYTTLFNQIVITIFTIEIILRIYVHRISFFKDPWSLFDFFVVAISLVPTSSGFEILRVLRVLRLFRLVTAVPQMRKIVSALISVIPGMLSVIALMTLFFYIFAIMATQLFGERFPEWFGTLGESFYTLFQVMTLESWSMGIVRPLMEVYPYAWVFFIPFIFVVTFVMINLVVAICVDAM
3RVY_1_k12
0
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42626592
P02945
[CH2][Branch2][Ring1][Ring2][CH2][OH0][C@@H1][Branch1][N][CH2][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH3][CH2][OH0][H][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH3]
CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCO[C@H](CO)COCC[C@H](C)CCC
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AQITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIF
1QM8_3_k12
0
-4.5
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753
Q8GQN9
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4RLF_1_k12
0
-3.7
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31401
P10868
[CH2][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][C@H1][CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][=C][Ring1][Branch2][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]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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1IHI_2_k12
1
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8200
Q8J136
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4MOK_1_k12
0
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7111750
O58586
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N[C@H](Cc1cccs1)C(=O)O
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1MMK_2_k12
2
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1567
P35968
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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6I4G_1_k12
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s59
O58456
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4QEP_1_k12
1
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4462
Q07817
[CH3][CH0][=CH0][Branch1][Branch2][CH2][CH1][=CH0][Branch1][C][CH3][CH3][CH0][=Branch1][C][=OH0][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Ring1][S][=OH0]
COC1=C(OC)C(=O)C(CC=C(C)C)=C(C)C1=O
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1PRC_3_k12
1
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8076
P14489
[CH2][Branch1][Ring2][CH2][OH0][H][OH0][CH2][CH3]
CCOCCO
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6HB8_3_k12
0
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s875
Q83883
[NH0][Branch1][C][H][CH1][Branch2][Ring1][Branch1][CH0][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][#Branch1][NH0][Branch1][C][H][CH1][=OH0][=CH1][CH1][=CH1][Ring1][N][OH0][CH2][C@@H1][OH0][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][C@@H1][Branch1][=N][OH0][C@@H1][Branch1][Ring1][OH...
CCCCC[C@@H]1[C@@H](O[C@@H](O)CC(C)C)[C@@H](C)O[C@H](O)[C@H]2NC(c3cccc(NC=O)c3O)OC[C@@H]2O[C@@H]1O
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APNIRKSHPLLKMINNSLIDLPAPSNISAWWNFGSLLAVCLMTQILTGLLLAMHYTADTSLAFSSVAHTCRNVQYGWLIRNLHANGASFFFICIFLHIGRGLYYGSYLYKETWNTGVILLLTLMATAFVGYVLPWGQMSFWGATVITNLFSAIPYIGHTLVEWAWGGFSVDNPTLTRFFALHFLLPFAIAGITIIHLTFLHESGSNNPLGISSDSDKIPFHPYYSFKDILGLTLMLTPFLTLALFSPNLLGDPENFTPANPLVTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAASVLILFLIPFLHKSKQRTMTFRPL...
3BCC_2_k12
1
-8.7
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174
O60885
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdMdNdPdPdPdPdEdTqSdNdPvNpKqPdKfRdQdTwNlQlLlQvYcLcLqRpVpVlLlKvTvLlWcKpHdQpFlAqWvPcFqQlQdPwVdDpAcVvKvLvNvLnPvDcYlYcKvIfIqKvTpPtMaDgMsGvTsIlKnKsRnLsEvNvNrYvYdWhNdApQvEvCsIvQvDrFlNvTsMnFlTvNsCqYpIrYpNdKdPpGpDdDpInVnLvMsAsEvAvLsEvKvLvFnLvQvKsIvNvEpLrPdTdEtEd
SMNPPPPETSNPNKPKRQTNQLQYLLRVVLKTLWKHQFAWPFQQPVDAVKLNLPDYYKIIKTPMDMGTIKKRLENNYYWNAQECIQDFNTMFTNCYIYNKPGDDIVLMAEALEKLFLQKINELPTEE
6G0D_1_k12
0
-2.5
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
753
Q9YHT1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
PdGdAdTdLdCdLdGdHdHdAfVdPpNaGfTaLfVaKaTdIpTpDgDrQtIfEgVfTrNyAwTdEwLqVaQaSeSdSfTpGqKaIaCaNcNpPdHwRnIeLaDeGqIpDqCdTdLpIvDcAlLlLqGaDqPqHvCnDvVvFcQaNfEhTfWgDqLeFyVeEyReSpKnAhFdSgNqCfYfPaYaDdVePdDpYpAvSvLvRsSwLqVvAqSqSlGgTtLsEaFwIdTfEdGdFdTdWqTpGqVwTdQkNfGdGfSdNpAsCrKdRnGpPpGdStGhFhFrSpRfLwNiWfLtTfKgSdGdSqTaYqPdVwLdNkVdTkMd...
PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVP
6CEX_2_k12
0
-3
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1567
P00720
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
MdNaIlFlEvMlLqRcIvDvEqGpLaRaLfKfIfYdKqDdTlEvGgYaYtTaIhGgIrGgHhLgLqTdKpSdPpSdLvNvAvAsKqSvEsLvDcKvAqIqGvRhNrCaNvGgVgIdTdKnDvEsAsEvKvLvFvNvQvDlVlDvAvAlVvRvGvIqLvRvNdApKlLrKnPlVlYlDvSlLdDdArVlRlRnCsAlAvIsNsQvVcFsQnMpGnEpTvGvVvAvGvFlTvNvSlLsRvMcLlQsQvKvRpWlDvEvAsAlVvNsLlAcKpSdRvWvYcNvQvTdPvNlRsAsKvRqVsIsTvTcFsRnTpGvTdWnDvAs...
MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINQVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYK
1OV7_1_k12
0
-1.7
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
Q92692
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
TdGkTaIkEdTwTpGaNaIdSeAdEdKaGqGaSkIdIkLtQdCiHdLiSdSpTdTpAwQdVqTqQkVkNwWkEaQaQpDpQgLtLaAkImSaNgApDpLpGgWiHdIgSdPpSvFcKpDpRqVwAdPdGdPdGpLnGmLiTmLgQgSrLdTdVqNvDpTfGhEkYiFkCiIwYtHaTtYpPpDvGgTiYhTiGdRiIyFtLyEgVdDdVkRaVkQdVwLdPaEeVdReGdQeLaGqGaTkVgEkLtPwCiHfLiLdPdPdVdPpGpLkYdIfSqLkVkTfWkQaRaPpDvAdPdApNqHaQgNtVqAkAiFqHgPqKaMp...
TGTIETTGNISAEKGGSIILQCHLSSTTAQVTQVNWEQQDQLLAISNADLGWHISPSFKDRVAPGPGLGLTLQSLTVNDTGEYFCIYHTYPDGTYTGRIFLEVDVRVQVLPEVRGQLGGTVELPCHLLPPVPGLYISLVTWQRPDAPANHQNVAAFHPKMGPSFPSPKPGSERLSFVSAKQSTTEAELQDATLALHGLTVEDEGNYTCEFATFPKGSVRGMTWLRVLVPR
5V52_1_k12
0
-3.4
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8PPZ_2_k12
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679
P22736
[OH0][=S@@][Branch1][C][CH3][CH3]
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5QBO_2_k12
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s709
P0CK31
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1N1H_3_k12
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s51
P42330
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4WDW_1_k12
1
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129929868
P19052
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH2][CH1][=CH0][Ring1][Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
C1=C(c2ccccc2)NCNC1
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3B9S_1_k12
2
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