Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
753
P67999
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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PEKIRPECFELLRVLGKGGYGKVFQVRKVTGANTGKIFAMKVLKKAMIVRNAKDTAHTKAERNILEEVKHPFIVDLIYAFQTGGKLYLILEYLSGGELFMQLEREGIFMEDTACFYLAEISMALGHLHQKGIIYRDLKPENIMLNHQGHVKLTDFGLCKESIHDTHTFCGTIEYMAPEILMRSGHNRAVDWWSLGALMYDMLTGAPPFTGENRKKTIDKILKCKLNLPPYLTQEARDLLKKLLKRNAASRLGAGPGDAGEVQAHPFFRHINWEELLARKVEPPFKPLLQ
3WF7_1_k12
0
-2.8
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447315
P18946
[C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)[C@@H](O)[C@@H](O)C(=O)O
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7X4C_1_k12
0
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174
P49187
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7ORF_1_k12
0
-2.6
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753
O34886
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREILKIVDGPVSVQVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTLSSEHINTNCTLVFNPIQALLAAKAGVTYVSPYVGRLDDIGEDGMQIIDMIRTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPKTDEGLAKFLEDWKKVSP
4XZ9_4_k12
0
-3.3
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62551
O95696
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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MIVSDIEANALLESVTKFHCGVIYDYSTAEYVSYRPSDFGAYLDALEAEVARGGLIVFHNGHKYDVPALTKLAKLQLNREFHLPRENCIDTLVLSRLIHSNLKDTDMGLLRSGKLPGALEAWGYRLGEMKGEYKDDFKRMLEEQGEEYVDGMEWWNFNEEMMDYNVQDVVVTKALLEKLLSDKHYFPPEIDFTDVGYTTFWSESLEAVDIEHRAAWLLAKQERNGFPFDTKAIEELYVELAARRSELLRKLTETFGSWYQPKGGTEMFCHPRTGKPLPKYPRIKTPKVGGIFKKPKNKAQREGREPCELDTREYVAGAPY...
1TK8_3_k12
0
-4.7
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174
P07711
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MAQANFGVVGMAVMGKNLALNVESRGYTVAIYNRTTSKTEEVFKEHQDKNLVFTKTLEEFVGSLEKPRRIMLMVQAGAATDATIKSLLPLLDIGDILIDGGNTHFPDTMRRNAELADSGINFIGTGVSGGEKGALLGPSMMPGGQKEAYDLVAPIFEQIAAKAPQDGKPCVAYMGANGAGHYVKMVHNGIEYGDMQLIAESYDLLKRILGLSNAEIQAIFEEWNEGELDSYLIEITKEVLKRKDDEGEGYIVDKILDKAGNKGTGKWTSESALDLGVPLPLITESVFARYISTYKDERVKASKVLSGPALDFSGDKKEVI...
2IZ0_3_k12
0
-2.7
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s486
P71063
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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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ASLAIGGVVIIGGGGHAKVVIESLRACGETVAAIVDADPAVLGVPVVGDDLALPMLREQGLSRLFVAIGDNRLRQKLGRKARDHGFSLVNAIHPSAVVSPSVRLGEGVAVMAGVAINADSWIGDLAIINTGAVVDHDCRLGAACHLGPASALAGGVSVGERAFLGVGARVIPGVTIGADTIVGAGGVVVRDLPDSVLAIGVPAKIKG
4EA7_1_k12
2
-6.3
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s25
P50225
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)C2NCN1
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SRPPLEYVKGVPLIKYFAEALGPLQSFQARPDDLLISTYPKSGTTWVSQILDMIYQGGDLEKCHRAPIFMRVPFLEFKAPGIPSGMETLKDTPAPRLLKTHLPLALLPQTLLDQKVKVVYVARNAKDVAVSYYHFYHMAKVHPEPGTWDSFLEKFMVGEVSYGSWYQHVQEWWELSRTHPVLYLFYEDMKENPKREIQKILEFVGHSLPEETVDFMVQHTSFKEMKKNPMTNYTTVPQEFMDHSISPFMRKGMAGDWKTTFTVAQNERFDADYAEKMAGCSLSFRSEL
3U3O_2_k12
1
-12
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s980
P0C0Y8
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1YF6_2_k12
2
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24139
Q9VMQ5
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5ELB_3_k12
0
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439730
Q5REY6
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C[C@@H]1O[C@H](O)[C@H](O)[C@H](O)[C@H]1O
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4XHC_1_k12
1
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90655273
P30520
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4DGH_1_k12
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s857
Q5TJG6
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5O3I_2_k12
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57383473
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10040501
P9WIL1
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4AG9_1_k12
1
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444205
Q9R381
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3RFE_1_k12
0
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s140
Q27743
[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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MAALTRLSQPGLAFLKCAFAPPDFNTDPGKGIPDRFEGKVVSRKDVLNQSISFTAGQDTFILIAPTPGVAYWSASVPAGTFPTSATTFNPVNYPGFTSMFGTTSTSRSDQVSSFRYASMNVGIYPTSNLMQFAGSITVWKCPVKLSTVQFPVATDPATSSLVHTLVGLDGVLAVGPDNFSESFIKGVFSQSACNEPDFEFNDILEGIQTLPPANVSLGSTGQPFTMDSGAEATSGVVGWGNMDTIVIRVSAPEGAVNSAILKAWSCIEYRPNPNAMLYQFGHDSPPLDEVALQEYRTVARSLPVAVIAAQNALTRLSQPG...
4FTB_1_k12
2
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753
P44537
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6JKU_2_k12
0
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s216
P26281
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7KDR_1_k12
1
-12.1
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802
Q96MU7
[NH0][Branch1][C][H][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][=CH1][Ring1][#C]
O=C(O)Cc1c[nH]c2ccccc12
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2OYF_2_k12
2
-6.7
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439709
P00918
[C@@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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3A2S_3_k12
0
-4.7
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s300
P9WGR1
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TGLLDGKRILVSGIITDSSIAFHIARVAQEQGAQLVLTGFDRLRLIQRITDRLPAKAPLLELDVQNEEHLASLAGRVTEAIGAGNKLDGVVHSIGFMPQTGMGINPFFDAPYADVSKGIHISAYSYASMAKALLPIMNPGGSIVGMDFDPSRAMPAYNWMTVAKSALESVNRFVAREAGKYGVRSNLVAAGPIRTLAMSAIVGGALGEEAGAQIQLLEEGWDQRAPIGWNMKDATPVAKTVCALLSDWLPATTGDIIYADGGAHTQLL
4OIM_3_k12
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P9WKD3
[OH0][=S@@][Branch1][C][CH3][CH3]
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7Q2H_1_k12
0
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s665
P0ABQ6
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7FPP_1_k12
1
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679
P14350
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GFC_1_k12
0
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679
Q04771
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S7R_4_k12
0
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s684
Q9FNY7
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NC1NC(=O)c2[nH]c(=O)n([C@H]3C[C@H](O)[C@@H](CO)O3)c2N1
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3F10_1_k12
1
-9.2
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s654
O59826
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6EN6_3_k12
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s178
Q8IXJ6
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8QT3_3_k12
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753
P85207
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3CC6_1_k12
0
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5281426
P0DO65
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O=c1ccc2ccc(O)cc2o1
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8DQQ_1_k12
1
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64960
P42212
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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8ILL_1_k12
0
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s94
Q5ZID0
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5F5N_3_k12
1
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586427
Q03181
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COc1cc(C=CC(=O)C=C(O)CCc2ccc(O)c(OC)c2)ccc1O
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4PME_1_k12
2
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444205
Q5IS75
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8A5U_1_k12
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44590606
P01857
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5TN5_1_k12
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174
Q51948
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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7K9N_1_k12
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s381
Q4H4E7
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH2][Ring1][O][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Branch1][OH0][H]
NC1=CCN([C@@H]2O[C@@H](CO)[C@@H](O)[C@H]2O)C(=O)N1
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3P10_1_k12
2
-6.2
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753
O15151
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NQVRPKLPLLKILHAAGAQGEMFTVKEVMHYLGQYIMVKQLYDQQEQHMVYCGGDLLGELLGRQSFSVKDPSPLYDMLRKNLVT
6Q9Q_3_k12
0
-2.9
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753
P56950
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
QdIdPdApScEqQqEqTwLkVwRaPfKaPdLlLlLqKvLqLlKvSvVqGdApQdKdDgTiYdTgMnKvEsVsLvFvYsLvGvQvYsIqMvTvKvRvLqYfDdEcKpQpQqHqIkVgYaCdSlNvDhLsLvGcDvLqFqGvVhPrSmFdShVpKvEpHvRvKsIvYvTvMsIrYpRvNrLiVdVtVdNd
QIPASEQETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVN
6I3S_1_k12
0
-2.7
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2795559
Q8I566
[CH0][Branch1][Branch2][CH0][=CH1][CH1][=CH1][SH0][Ring1][Branch1][=CH0][Branch1][Ring2][CH2][OH0][H][CH1][=CH1][CH1][=CH1][Ring1][=C]
OCc1ccccc1-c1cccs1
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MDFRIGQGYDVHQLVPGRPLIIGGVTIPYERGLLGHSDADVLLHAITDALFGAAALGDIGRHFSDTDPRFKGADSRALLRECASRVAQAGFAIRNVDSTIIAQAPKLAPHIDAMRANIAADLDLPLDRVNVKAKTNEKLGYLGRGEGIEAQAAALVVRE
3P10_2_k12
2
-5.9
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444205
P04642
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6V7Y_3_k12
0
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22400724
P22303
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NC1=C2CC=CC=C2NC2=C1CCCC2
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3776
A0R5N0
[CH3][C@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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RNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPGSAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFAASVFTNLSDMEHYEAAKWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSMEDHINPNCHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLMGAFNVSNLLLALATLLALGYPLADLLKTAARL...
7B61_3_k12
0
-2.2
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s108
P00396
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][N][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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GSEPTFVVNASLLPSKVLGLQVQRPQSFNYQPGDYLFIKCPGISKFEWHPFTISSAPEMPDVLTLHIRAVGSWTGKLYQLIREQREEWIRSGSSQSLPGVPVYIDGPYGTPSTHIFESKYAILICAGIGVTPFASILKSILHRNQQNPAKMPLKKVHFYWLNREQKAFEWFVELLSKIEAEDTNNLFDLNLYLTLITGLKSRTKTGRPDWEEIFKDVAKQHAPDNVEVFFCGPTGLALQLRHLCTKYGFGYRKENFPWLEL
5O0X_3_k12
1
-9.6
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s512
P11838
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch2][Ring1][Ring2][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][N]
CC1NC=C(COP(=O)(O)O)C(CN[C@H](C)P(=O)(O)O)=C1O
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LNDDATFWRNARHHLVRYGGTFEPMIIERAKGSFVYDADGRAILDFTSGQMSAVLGHCHPEIVSVIGEYAGKLDHLFSEMLSRPVVDLATRLANITPPGLDRALLLSTGAESNEAAIRMAKLVTGKYEIVGFAQSWHGMTGAAASATYSAGRKGVGPAAVGSFAIPAPFTYRPRFERNGAYDYLAELDYAFDLIDRQSSGNLAAFIAEPILSSGGIIELPDGYMAALKRKCEARGMLLILDEAQTGVGRTGTMFACQRDGVTPDILTLSKTLGAGLPLAAIVTSAAIEERAHELGYLFYTTHVSDPLPAAVGLRVLDVVQ...
1M0Q_1_k12
1
-7.5
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445929
Q128M1
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O=C(O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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4N8Y_1_k12
1
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174
P19139
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7AY9_1_k12
0
-1.8
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s159
P0C0Y9
[CH2][Branch2][Ring2][C][CH0][Branch1][C][CH3][=CH1][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH0][=Branch1][C][=OH0][C@][Branch1][C][CH3][Branch1][C][CH3][OH0][CH3][CH2][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][...
COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[C@H](C)CCC=C(C)CCC=C(C)C
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7Q7H_4_k12
1
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21157551
P03367
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1XL2_2_k12
1
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5313575
P05024
[OH0][Branch2][Ring1][Ring2][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][CH2][N@@+1][Branch1][C][CH3][Branch1][C][CH3][CH3][CH2][C@H1][Branch1][#Branch1][OH0][CH0][=Branch1][C][=OH0][CH3][CH2][OH0][CH0][=Branch1][C][=OH0][CH3]
CC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(C)=O
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KERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLT...
7DDF_2_k12
2
-5.1
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s29
O58456
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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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MVLYFIGLGLYDERDITVKGLEIAKKCDYVFAEFYTSLMAGTTLGRIQKLIGKEIRVLSREDVELNFENIVLPLAKENDVAFLTPGDPLVATTHAELRIRAKRAGVESYVIHAPSIYSAVGITGLHIYKFGKSATVAYPKGNWFPTSYYDVIKENAERGLHTLLFLDIKAEKRMYMTANEAMELLLKVEDMKKGGVFTDDTLVVVLARAGSLNPTIRAGYVKDLIREDFGDPPHILIVPGKLHIVEAEYLVEIAGAPREILRVNV
2E08_1_k12
1
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753
P0AE69
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6HRR_2_k12
0
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62551
P0A988
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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SHMKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEIG...
6FVM_3_k12
0
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8117
P17562
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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METFLFTSESVNEGHPDKLCDQISDAVLDACLEQDPDSKVACETCTKTNMVMVFGEITTKATIDYEKIVRDTCRSIGFISDDVGLDADKCKVLVNIEQQSPDIAQGVHGHFTKRPEDIGAGDQGHMFGYATDETPELMPLSHVLATKIGARLTEVRKNGTCRWLRPDGKTQVTVEYYNDNGAMVPVRVHTVLISTQHDETVTNDEIARDLKEHVIKPIIPEKYLDDKTIFHLNPSGRFVIGGPHGDAGLTGRKIIIDTYGGWGAHGGGAFSGKDPTKVDRSGAYIVRQAAKSVVANGMARRALVQVSYAIGVPEPLSVFV...
6VD0_4_k12
0
-3.1
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174
P0A525
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
SdEvNdLdYdFpQdGdFcRvRlFaTdPpRlAlRvNqAlVvVvAqAlQqNvAvAcHvGvAqAqShSqEaIrTePlDlHsLsLvLvGsVlLvTpDdPcApAfLvAvTvAvLlLcQvQvQvEvIqDdIvAvTvLlRnTvAqVrTdLdPdPhAhVdTpEdPhPdQpPpIhPhFhSdGpPnArRvKqVlLvEvLqTlFvRvEvAcLvRvLlGvHhNrYgIrGgTsElHsLsLvLlAsLsLvEvLpEdDdGcDsGgPsLcHnRvSrGpVpDdKnSvRsAsEsAvDvLvIvTvTcLvAvSpLvTpGpAd
SENLYFQGFRRFTPRARNAVVAAQNAAHGAASSEITPDHLLLGVLTDPAALATALLQQQEIDIATLRTAVTLPPAVTEPPQPIPFSGPARKVLELTFREALRLGHNYIGTEHLLLALLELEDGDGPLHRSGVDKSRAEADLITTLASLTGA
8AD9_1_k12
0
-2.7
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s640
O14965
[CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH1][=CH0][Ring1][=N][NH0][Ring2][Ring1][Ring1][C@@H1][Branch2][Ring1][Ring1][CH0][=CH1][CH0][Branch1][=Branch1][OH0][CH2][CH2][CH2][CH3][=CH1][NH0][Branch1][C][H][CH2][Ring1][N]...
CCCCOC1=CNCC([C@H]2NNC3=C(C)Nc4ccc(CN5CCOCC5)cc4N32)=C1
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DDEYTKLLHDGIQPVAAIDSNFASFTYTPRSLPEDDTSMAILSMLQDMNFINNYKIDCPTLARFCLMVKKGYRDPPYHNWMHAFSVSHFCYLLYKNLELTNYLEDIEIFALFISCMCHDLDHRGTNNSFQVASKSVLAALYSSEGSVMERHHFAQAIAILNTHGCNIFDHFSRKDYQRMLDLMRDIILATDLAHHLRIFKDLQKMAEVGYDRNNKQHHRLLLCLLMTSCDLSDQTKGWKTTRKIAELIYKEFFSQGDLEKAMGNRPMEMMDREKAYIPELQISFMEHIAMPIYKLLQDLFPKAAELYERVASNREHWTKV...
4D08_1_k12
1
-9.9
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s735
O34453
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring2][C][NH0][CH0][=CH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][O...
NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
DdAaVaIeKeVeIeGqVkGeGdGlGrGlNvAlVvElHvMcVvRvEvRdIfEfGpVyEqFyFeAyVeNyTcDaAvQvAcLvRvKpTgApVrGpQhTyIdQhIfGdSpGnIdTdGpLdGpApGfAfNaPlEvVvGqRqNvArAlDvEvDvRlDvAvLlRlAvAvLqEaGpAhDqMaVyFeIyAeAyGeMaGqGgGrTnGrTlGnAnAlPlVvVsAlEqVsAcKvDvLnGvIhLqTyVeAyVeVyTeKqPdFaNcFvEvGdKdKnRsMnAvFsArEvQvGsIvTvEsLsSqKvHrVhDqSeLyIeTyIhPyNlDvKlLqLhGd...
DAVIKVIGVGGGGGNAVEHMVRERIEGVEFFAVNTDAQALRKTAVGQTIQIGSGITGLGAGANPEVGRNAADEDRDALRAALEGADMVFIAAGMGGGTGTGAAPVVAEVAKDLGILTVAVVTKPFNFEGKKRMAFAEQGITELSKHVDSLITIPNDKLLGRGISELDAFGAANDVLKGAVQGIAELITRPGLMNVDFADVRTVMSEMGYAMMGSGVASGEDRAEEAAEMAISSPLLEDIDLSGARGVLVNITAGFDLRLDEFETVGNTIRAFASDNATVVIGTSLDPDMNDELRVTVVATGIG
6UMK_1_k12
1
-8.3
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s661
Q9Y697
[CH1][=CH0][Branch1][Ring1][OH0][H][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][Branch2][NH0][Branch1][C][H][CH1][Branch1][C][CH3][NH0][Ring1][=Branch2][H]
CC1Nc2cccc(O)c2N1
QdKaReAeIeYePeGdTqFpDlPpIpTkNvGqHnIvDqIqVvTvRvAvTvQvMpFgDvHaVyIeLdAeIhAeAqSpPvSvKvKvPrMlFdTgLqEvEvRrVqAvLqAvQcQvAlTcAvHvLpGpNrVyEhVyVyGyFdShDdLdMvAlNvFvAcRvNvQvHvAhTqVeLyIeRdGeLaRaAdVpAvDrFvEvYvEvMvQvLvAqHvMvNsRcHvLvMpPvEsLrEhSyVdFyLdMyPtSdKpEvWpSnFpIdSdSsSvLvVlKlEvVcAvRlHvQpGhDdVpTpHvFiLhPdEpNvVvHvQvAvLsMnAvKsLsAvVd
QKRAIYPGTFDPITNGHIDIVTRATQMFDHVILAIAASPSKKPMFTLEERVALAQQATAHLGNVEVVGFSDLMANFARNQHATVLIRGLRAVADFEYEMQLAHMNRHLMPELESVFLMPSKEWSFISSSLVKEVARHQGDVTHFLPENVHQALMAKLAV
6B7A_2_k12
0
-4.4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s52
Q6P9V9
[CH2][Branch1][N][N@@+1][Branch1][C][H][CH2][CH2][OH0][CH2][CH2][Ring1][#Branch1][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CC[NH+]1CCOCC1
MdRaEaCeIaSeIeHaVkGaQqAqGsVlQvIlGvNvAlCqWvEvLqYvCcLvEvHqGvIqQaPlDlGqQaMhPpSvDdKpTpIaGaGaGdDdDaSlFqNvTnFqFwShEhThGnAvGrKgHtVaPgRnAyVaFyVeDfLqEdPcTpVrIvDvEcVcRcTvGdTsYnRvQnLnFyHdPpElQrLyIyTyGhKhEdDhAqAqNqNfYlAlRcGqHaYpTpIsGlKvEvIcIlDvLsVrLvDvRsInRvKvLsAvDvQvCtTpGhLhQqGaFyLeVyFeHaSeFqGrGrGnTtGrSqGrFnTvSlLnLnMlEvRvLcScVvDv...
MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDGALNVDLTEFQTNLVPYPRIHFPLATYAPVISAEKAYHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYR...
8AHM_2_k12
2
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753
Q8WTS6
[CH2][Branch1][=Branch2][CH1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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3CBP_3_k12
0
-3.3
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5232593
P45974
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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EIPLKYGATNEGKRQDPAMQKFRDNRLGAFIHWGLYAIPGGEWNGKVYGGAAEWLKSWAKVPADEWLKLMDQWNPTKFDAKKWAKMAKEMGTKYVKITTKHHEGFCLWPSKYTKYTVANTPYKRDILGELVKAYNDEGIDVHFYFSVMDWSNPDYRYDIKSKEDSIAFSRFLEFTDNQLKELATRYPTVKDFWFDGTWDASVKKNGWWTAHAEQMLKELVPGVAINSRLRADDKGKRHFDSNGRLMGDYESGYERRLPDPVKDLKVTQWDWEACMTIPENQWGYHKDWSLSYVKTPIEVIDRIVHAVSMGGNMVVNFGPQ...
4JFT_2_k12
0
-2.3
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679
P04825
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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QQPQAKYRHDYRAPDYQITDIDLTFDLDAQKTVVTAVSQAVRHGASDAPLRLNGEDLKLVSVHINDEPWTAWKEEEGALVISNLPERFTLKIINEISPAANTALEGLYQSGDALCTQCEAEGFRHITYYLDRPDVLARFTTKIIADKIKYPFLLSNGNRVAQGELENGRHWVQWQDPFPKPCYLFALVAGDFDVLRDTFTTRSGREVALELYVDRGNLDRAPWAMTSLKNSMKWDEERFGLEYDLDIYMIVAVDFFNMGAMENKGLNIFNSKYVLARTDTATDKDYLDIERVIGHEYFHNWTGNRVTCRDWFQLSLKEGL...
5MFS_2_k12
0
-1.5
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6540268
P00742
[CH1][=CH1][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][=Branch1][NH0][Branch2][Ring1][Branch1][CH2][CH0][Branch1][S][NH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][H][=OH0][CH0][Branch2][Ring1][=Branch2][CH0][Branch2][Ring1][Ring2][NH0][Branch1][C][H][C@H1][CH2][CH2][NH0][Branch...
CC(C)N1CCC(NC(=O)c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)CC1
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IVGGQECKDGECPWQALLINEENEGFCGGTILSEFYILTAAHCLYQAKRFKVRVGDRNTEQEEGGEAVHEVEVVIKHNRFTKETYDFDIAVLRLKTPITFRMNVAPACLPERDWAESTLMTQKTGIVSGFGRTHEKGRQSTRLKMLEVPYVDRNSCKLSSSFIITQNMFCAGYDTKQEDACQGDSGGPHVTRFKDTYFVTGIVSWGEGCARKGKYGIYTKVTAFLKWIDRSMKT
2BQW_1_k12
1
-10.2
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745606
Q07889
[OH0][Branch1][N][C@@H1][CH2][CH2][CH2][NH0][Branch1][C][CH3][CH2][Ring1][#Branch1][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][OH0][Ring1][Branch1]
CN1CCC[C@@H](OC(=O)c2ccco2)C1
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QPEPDMITIFIGTWNMGNAPPPKKITSWFLSKGQGKTRDDSADYIPHDIYVIGTQEDPLSEKEWLEILKHSLQEITSVTFKTVAIHTLWNIRIVVLAKPEHENRISHICTDNVKTGIANTLGNKGAVGVSFMFNGTSLGFVNSHLTSGSEKKLRRNQNYMNILRFLALGDKKLSPFNITHRFTHLFWFGDLNYRVDLPTWEAETIIQKIKQQQYADLLSHDQLLTERREQKVFLHFEEEEITFAPTYRFERLTRDKYAYTKQKATGMKYNLPSWCDRVLWKSYPLVHVVCQSYGSTSDIMTSDHSPVFATFEAGVTSQFV...
5RY1_2_k12
0
-4.7
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171548
Q01738
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6W6X_1_k12
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5CZ0_1_k12
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125132
Q5W9R9
[CH2][Branch2][Ring1][Ring2][CH2][NH0][Branch1][C][H][C@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H][CH2][NH0][Branch1][C][H][C@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCC(CO)(CO)NCCCNC(CO)(CO)CO
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AMDPMKIADLMTLLDHHVPFSTAESWDNVGLLIGDEDVEVTGVLTALDCTLEVVNEAIEKGYNTIISHHPLIFKGVTSLKANGYGLIIRKLIQHDINLIAMHTNLDVNPHGVNMMLAKVMGLKNISIINNQQDVYYKVQTYIPKDNVGPFKDKLSENGLAQEYCFFESEGRGQEDVDEVKIEFMIDAYQKSRAEQLIKQYHPYETPVFDFIEIKQTSLYGLGVMAEVDNQMTLEDFAADIKSKLNIPSVRFVGESNQKIKRIAIIGGSGIGYEYQAVQQGADVFVTGDIKHHDALDAKIHGVNLIDINHYSEYVMKEGLK...
3LNL_1_k12
0
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446996
P16581
[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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WSYNTSTEAMTYDEASAYCQQRYTHLVAIQNKEEIEYLNSILSYSPSYYWIGIRKVNNVWVWVGTQKPLTEEAKNWAPGEPNNRQKDEDCVEIYIKREKDVGMWNDERCSKKKLALCYTAACTNTSCSGHGECVETINNYTCKCDPGFSGLKCEQIVNCTALESPEHGSLVCSHPLGNFSYNSSCSISCDRGYLPSSMETMQCMSSGEWSAPIPACNVVECDAVTNPANGFVECFQNPGSFPWNTTCTFDCEEGFELMGAQSLQCTSSGNWDNEKPTCKA
4CSY_3_k12
2
-5.1
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91536
Q8DIQ1
[OH0][Branch1][P][CH0][=CH0][CH0][=Branch1][=Branch1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH3]
CC(C)NC[C@H](O)COc1cccc2ccccc12
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ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIGFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWEANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGS...
1DY4_2_k12
1
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s680
P00720
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NC1=C2NCN([C@@H]3O[C@H](CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](N5C=CC=C(C(N)O)C5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3OP(=O)(O)O)C2NCN1
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SQINDKTIMIFGGSGSLGNRLIETYINNNIIVNYSRDESKHWSMELKYKSDKLKNIIGDIRDFEKVQQSIMRINPDIIIIAAALKHIDRCEYEINECLDTNIKGLQNVLKVTEINRSNLSNLKAVCFVSTDKACSPVNSYGMSKAICETLVVEKSKYIKDIKYVCVRYGNVLNFTLTHTSMTRFIMTLDDSVKLIEYAIINGNSGEIVIPKLNSMYIKDMIELFADKYPIVITGLRSGERMYESLINDTQSMKTVPKGDYYHILPTYDPTIVTEEFYEYSSKQNILSKQELENYLNQ
4TQG_1_k12
1
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24916812
P07445
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CC(C)COC(=O)N[C@H](C(=O)NN(CC1CC1)C(=O)N[C@@H](CC1CC1)[C@@H](O)C(=O)NCC(=O)N[C@H](C(=O)O)c1ccccc1)C1CCCCC1
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MGAPITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRS
2F9V_1_k12
2
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Q13255
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7DP6_1_k12
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176
P00698
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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5LAN_1_k12
0
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s91
Q5SIT4
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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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2CWW_1_k12
1
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6FWX_1_k12
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8IF2_3_k12
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753
P43213
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SNAMFTINTKSQLPIYEQIVQKIKEQVVKGVLQEGEKILSIREFASRIGVNPNTVSKAYQELERQEVIITVKGKGTFIANQTDKLSSPKKLAETRTKLKETILDLVYLGVNIEEIHKLADEYSQDIIGGDVVEG
4HAM_1_k12
0
-2.9
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s810
Q5SKU3
[C@@H1][Branch2][Ring2][=Branch1][CH2][NH0][Branch2][Ring1][#Branch2][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH0][=CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][SH0][Ring1][=Branch1][CH1][=CH1][Ring1][#Branch2][CH2][C@@H1][Branch1][C][CH3][CH2][CH3][Branch1][Ring1][OH0][H][C@H1][Branch1][#Branch2][CH2...
CC[C@H](C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](O)C(C)C)S(=O)(=O)c1ccc2c(c1)SCN2
PdQdIdTdLvWpKdRfPqLwVwTwIkRaIfGpGnQdLiKdEiAeLgLeDdTaGpAaDqDaTwVeLaEeEdMdNdLdPdGdKdWwKdPwKdMwIdGaGdIpGvGgFiIdKiVwRtQkYdDfQqItPwImEqItCnGnHaKiAdItGtTiVyLtVyGyPpTdPpVgNgIyIhGyRpNvLgLcTvQrIrGpCdTdLdNdFdPdQdIdTdLvWpKdRfPqLwVfTwIkRdIfGpGpQdLiKdEiAaLgLaDdTaGpAaDaDaTwVeLdEeEdMdNdLdPdGdKdWwKdPwKdMwIdGaGdIpGpGgFiIdKiVwRtQkYdDfQq...
PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
2QI3_1_k12
1
-8.9
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444205
P01008
[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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VDICTAKPRDIPMNPMCIYRSPQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQL...
1SR5_1_k12
0
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174
P30822
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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3QZH_2_k12
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439196
P42556
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3BMQ_4_k12
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s579
O82413
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OC1=C2C(c3ccc(F)cc3)=CSC2NCN1
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KGSGLQGHIIENACVHHIKRRDIVLKWELGEGAFGKVFLAECHNLLPEQDKMLVAVKALKEASESARQDFQREAELLTMLQHQHIVRFFGVCTEGRPLLMVFEYMRHGDLNRFLRSHGPDAGPLGLGQLLAVASQVAAGMVYLAGLHFVHRDLATRNCLVGQGLVVKIGDFGMSRDIYSTDYYRVGTMLPIRWMPPESILYRKFTTESDVWSFGVVLWEIFTYGKQPWYQLSNTEAIDCITQGRELERPRACPPEVYAIMRGCWQREPQQRHSIKDVHARLQALAQAPPVYLDVLG
6D20_2_k12
2
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176
P25774
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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PQITLWKRPLVTIRIGGQLKEALLDTGADDTVLEEMNLPGKWKPKMIGGIGGFIKVRQYDQIPIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
3EKV_1_k12
0
-2.4
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s48
Q9BPX1
[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)NCNC54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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GTRYAGKVVVVTGGGRGIGAGIVRAFVNSGARVVICDKDESGGRALEQELPGAVFILCDVTQEDDVKTLVSETIRRFGRLDCVVNNAGHHPPPQRPEETSAQGFRQLLELNLLGTYTLTKLALPYLRKSQGNVINISSLVGAIGQAQAVPYVATKGAVTAMTKALALDESPYGVRVNCISPGNIWTPLWEELAALMPDPRATIREGMLAQPLGRMGQPAEVGAAAVFLASEANFCTGIELLVTGGAELGYPDI
5O43_3_k12
1
-12.5
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174
P01857
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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YDDDWQYEDCKLARGGPPATIVAIDEESRNGTILVDNMLIKGTAGGPDPTIELSLKDNVDYWVLLDPVKQMLFLNSTGRVLDRDPPMNIHSIVVQVQCVNKKVGTVIYHEVRIVVRDRNDNSPTFKHESYYATVNELTPVGTTIFTGFSGDNGATDIDDGPNGQIEYVIQYNPEDPTSNDTFEIPLMLTGNVVLRKRLNYEDKTRYYVIIQANDRAQNLNERRTTTTTLTVDVLDGDDLGPMFLPCVLVPNTRDCRPLTYQAAIPELRTPEELNPILVTPPIQAIDQDRNIQPPSDRPGILYSILVGTPEDYPRFFHMHP...
6CV7_1_k12
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5526
Q7NDN8
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8SP7_1_k12
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s607
Q4WM08
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4RZ8_3_k12
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753
P56817
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TKVKYPDGFRSWYHVKSMVIQPGHPLENPFGGIHHVYANAEAIQGLRGGNYPDGAVLVFDLFDYQEDNHALVEGKRKLIGVMERDAKRFSATGGWGYEGFGEGKPDKRLVTDGGQGCFGCHAAQKESQYVFSRLRDTKVKYPDGFRSWYHVKSMVIQPGHPLENPFGGIHHVYANAEAIQGLRGGNYPDGAVLVFDLFDYQEDNHALVEGKRKLIGVMERDAKRFSATGGWGYEGFGEGKPDKRLVTDGGQGCFGCHAAQKESQYVFSRLRD
7ZVZ_1_k12
0
-3.2
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679
P10340
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGdFdRdKfMdAaFaPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTqTiLaNiGwLgWaLaDfDqVkViYkCfPfRlHcVnIlCpTdSpEvDcMqLaNpPhNdYsEvDvLsLcIvRpKdSdNqHvNrFmLfViQdAdGpNnVrQtLfRrVfIdGdHwSdMdQfNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPwKaYeKeFfVdRaIdQdPaGlQdTkFwSkVwLqAfCdYaNnGrSgPgSdGdViYgQmCwAgMqRfPnNlFrTwIiKqGdSdFhLdNpGrSrCfGnSiVwGtFwNdIdDdYdDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTF
8DSU_1_k12
0
-1.8
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753
P25655
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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HMELVRVTEAGAMAAGRWVGRGDKEGGDGAAVDAMRELVNSVSMRGVVVIGEGEKDHAPMLYNGEEVGNGDGPECDFAVDPIDGSTLMSKGMTNAISVLAVADRGTMFDPSAVFYMNKIAVGPDAAHVLDITAPISENIRAVAKVKDLSVRDMTVCILDRPRHAQLIHDVRATGARIRLITDGDVAGAISACRPHSGTDLLAGIGGTPEGIIAAAAIRCMGGAIQAQLAPRDDAERRKALEAGYDLNQVLTTEDLVSGENVFFCATGVTDGDLLKGVRYYPGGCTTHSIVMRSKSGTVRMIEAYHRLSKLNEYSAIDFT
6AYU_1_k12
0
-3.8
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447443
P00698
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CNC(=O)CC[C@H](N)C=O
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1NV8_2_k12
2
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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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7VM1_1_k12
0
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