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
20038987
Q02127
[CH0][Branch1][=Branch2][CH2][CH0][=CH1][CH1][=CH1][SH0][Ring1][Branch1][=CH1][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][S]
O=C(O)c1ccc(Cc2cccs2)cc1
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PKQYPIINFTTAGATVQSYTNFIRAVRGRLTTGADVRHEIPVLPNRVGLPINQRFILVELSNHAELSVTLALDVTNAYVVGYRAGNSAYFFHPDNQEDAEAITHLFTDVQNRYTFAFGGNYDRLEQLAGNLRENIELGNGPLEEAISALYYYSTGGTQLPTLARSFIICIQMISEAARFQYIEGEMRTRIRYNRRSAPDPSVITLENSWGRLSTAIQESNQGAFASPIQLQRRNGSKFSVYDVSILIPIIALMVYRCAPP
6URW_2_k12
2
-5.8
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753
D4APQ6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DTITLPCRPAPPPHCSSNITGLILTRQGGYSNANTVIFRPSGGDWRDIARCQIAGTVVSTQLFLNGSLAEEEVVIRSEDWRDNAKSICVQLATSVEIACTGAGHCAISRAKWANTLKQIASKLREQYGAKTIIFKPSSGGDPEFVNHSFNCGGEFFYCASTQLFASTWF
6D2P_1_k12
0
-3.7
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439407
P07207
[CH2][SH0][SH0][CH2][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][Branch2][OH0][H]
O[C@H]1CSSC[C@@H]1O
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5ACK_3_k12
0
-3.1
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8200
P70399
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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3G91_3_k12
0
-3
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439357
P41182
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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6SE9_5_k12
0
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76635879
O95180
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH1][=CH1][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OC=COCCOCCOCCO
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4JUI_4_k12
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174
P00734
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4UE7_1_k12
0
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753
Q9NTG7
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6G5Q_2_k12
0
-3.4
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53301863
A0A0H2VAQ6
[CH0][=Branch1][C][=OH0][Branch1][O][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH2]
C=CCCCCCCCC(=O)OC[C@H](O)CO
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4NTJ_1_k12
0
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444655
P03367
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NC(=[NH2+])c1ccccc1
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2ZPR_1_k12
2
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446996
Q5HVR3
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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1A78_2_k12
0
-4.6
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s651
P00918
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444205
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8CMA_1_k12
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6995274
P54422
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5Y8X_3_k12
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753
Q8N6T7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GTVNWSVEDIVKGINSNNLESQLQATQAARKLLSREKQPPIDNIIRAGLIPKFVSFLGKTDCSPIQFESAWALTNIASGTSEQTKAVVDGGAIPAFISLLASPHAHISEQAVWALGNIAGDGSAFRDLVIKHGAIDPLLALLAVPDLSTLACGYLRNLTWTLSNLCRNKNPAPPLDAVEQILPTLVRLLHHNDPEVLADSCWAISYLTDGPNERIEMVVKKGVVPQLVKLLGATELPIVTPALRAIGNIVTGTDEQTQKVIDAGALAVFPSLLTNPKTNIQKEATWTMSNITAGRQDQIQQVVNHGLVPFLVGVLSKADF...
5W4F_1_k12
0
-2.7
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s128
O30124
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][NH0][CH1][Branch1][Branch1][NH0][Ring1][#Branch1][H][CH2][OH0][CH2][CH0][=CH0][Ring1][=Branch2][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
CC1NNC2COCc3ccccc3N12
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ENLYFQGDLIVSMRILGKKRTKTWHKGTLIAIQTVGPGKKYKVKFDNKGKSLLSGNHIAYDYHPPADKLYVGSRVVAKYKGNQVWLYAGIVAETPNVKNKLRFLIFFDDGYASYVTQSELYPICRPLKKTWEDIEDISCRDFIEEYVTAYPNRPMVLLKSGQLIKTEWEGTWWKSRVEEVDGSLVRILFLDDKRCEWIYRGSTRLEPMFS
6AU2_3_k12
1
-8.1
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s48
P13995
[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
MdEfAaVaVaIqSfGlRvKvLvAlQvQvIlKlQvEvVlRlQvEvVqEvEvWcVvAvSvGpNaKqRrPfHeLeSeVeIeLeVeGaEdNdPpAvSlHvSvYlVvLvNlKlTcRvAsAcAvVvVsGrIyNhSyEdTyIdMyKyPyAlSpIdSaEqEvEvLlLlNvLvIqNvKvLlNqNpDdDvNnVhDlGaLyLdVyQgLdPdLhPhEpHnIhDdEvRlRvInClNcAsVhSdPqDlKrDnVlDqGlFnHhVvIvNsVlGvRcMlClLvDlQaYdSgMnLqPhAqTlPlWvGlVvWvEvIsIcKvRvTvGpIpPaTqLaGaKf...
MEAVVISGRKLAQQIKQEVRQEVEEWVASGNKRPHLSVILVGENPASHSYVLNKTRAAAVVGINSETIMKPASISEEELLNLINKLNNDDNVDGLLVQLPLPEHIDERRICNAVSPDKDVDGFHVINVGRMCLDQYSMLPATPWGVWEIIKRTGIPTLGKNVVVAGRSKNVGMPIAMLLHTDGAHERPGGDATVTISHRYTPKEQLKKHTILADIVISAAGIPNLITADMIKEGAAVIDVGINRVHDPKPKLVGDVDFEGVRQKAGYITPVPGGVGPMTVAMLMKNTIIAAKKVL
6S4A_3_k12
1
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444205
P00734
[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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4YFD_1_k12
0
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s164
A8T644
[CH2][Branch2][Ring1][Ring1][CH2][CH2][CH2][NH0][CH2][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH2][NH0][Branch1][C][H][OH0][H][CH2][CH2][CH2][NH0][CH2][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH2][NH0][Branch1][C][H][OH0][H]
ONCC1=CC=CCN1CCCCCCCN1CC=CC=C1CNO
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2JF0_2_k12
1
-9
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440641
Q9N1E2
[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][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][Ring2][Ring1][Branch1]
O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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AALTRNPQFQKLQQWHREHGSELNLRHLFDTDKERFNHFSLTLNTNHGHILLDYSKNLVTEEVMHMLLDLAKSRGVEAARESMFNGEKINSTEDRAVLHVALRNRSNTPIVVDGKDVMPEVNKVLDKMKAFCQRVRSGDWKGYTGKTITDVINIGIGGSDLGPLMVTEALKPYSSGGPRVWFVSNIDGTHIAKTLACLNPESSLFIIASKTFTTQETITNAKTAKDWFLLSAKDPSTVAKHFVALSTNTAKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDNFEQLLSGAHWMDQHFRTTPLEKNAPVLLA...
1HOX_1_k12
1
-7.2
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176
P32951
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3HSJ_1_k12
0
-2.2
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s220
P07240
[NH0][Branch1][C][H][OH0][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][NH0][Ring1][Branch1][H][=CH0][Branch2][Ring1][C][CH2][OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][CH0][Branch1][C][OH1][=OH0][CH1][=CH1][Ring1][=Branch2][C@@H1][Ring2][Ring1][#Branch1][CH0][=CH0][Branch1][=Branch2][C@][Branch1][C][FH0][Branch1][C...
O=C(O)c1ccc(OCC2=C(c3ccc[nH]3)ON[C@H]2c2c(Cl)cccc2C(F)(F)F)cc1
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SLTEIEHLVQSVCKSYRETCQLRLEDLLRQRSNIFSREEVTGYQRKSMWEMWERCAHHLTEAIQYVVEFAKRLSGFMELCQNDQIVLLKAGAMEVVLVRMCRAYNADNRTVFFEGKYGGMELFRALGCSELISSIFDFSHSLSALHFSEDEIALYTALVLINAHRPGLQEKRKVEQLQYNLELAFHHHLHKTHRQSILAKLPPKGKLRSLCSQHVERLQIFQHLHPIVVQAAFPPLYKELFS
7NEC_1_k12
1
-14.1
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124886
P11838
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93514108
Q4U3Q4
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7B4N_3_k12
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4462
P06010
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2I5N_7_k12
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174
Q16658
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8BA5_1_k12
0
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s665
Q6P9V9
[NH0][Branch1][C][H][C@@H1][Branch1][=Branch1][C@H1][Branch1][C][CH3][CH3][NH0][Branch1][C][H][CH0][Branch1][#Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][=CH0][Branch1][C][ClH0][CH2][Ring1][P]
CC(C)[C@@H]1NCC(Cl)=C(C(N)=O)N1
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MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGADLRKLAVNMVPFPRLHFFMPGFAPLTSRQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMKE...
5S5B_1_k12
2
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440552
P06126
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CC(=O)N[C@@H]1[C@@H](O)[C@@H](O)[C@@H](CO)O[C@H]1O
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7JNB_1_k12
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3SGZ_1_k12
1
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176
P27882
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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1GK4_1_k12
0
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174
P06010
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4UD9_1_k12
0
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s252
P27338
[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][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][R...
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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DDDDKKTNWLKRIYRVRPCVKCKVAPRDWKVKNKHLRIYNMCKTCFNNSIDIGDDTYHGHVDWLMYADS
3LTB_1_k12
2
-6.4
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702
P04181
[OH0][Branch1][C][H][CH2][CH3]
CCO
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1OOF_1_k12
0
-2.6
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176
Q8DIQ1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINEVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWYNQCPDRAKRVITTFRTGTWDAYKMNIFEMLRIDEGLRLKIYKDCEGYYTIGIGHLLTKSPDLNAAKSELDKAIGRNCNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRCAAINEVFQMGVTGVAGFTNVLRMLQQKRWDEAAVNLAKSRWYNQCPDRAKRVITTFRTGTW...
3GUL_1_k12
0
-2.7
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s715
P17989
[CH2][Branch2][Ring2][Branch2][CH2][CH0][=Branch2][Ring2][C][=CH1][CH2][CH2][CH0][=Branch2][Ring1][#Branch2][=CH1][CH2][CH0][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][Branch1][Ring1][OH0][CH3][=CH0][Branch1][Ring1][OH0][CH3][CH0][Ring1][N][=OH0][CH3][CH3][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1...
COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCCC(C)CCCC(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O
AdLdLdSpFpEcRvKvYlRlVdPaGdGlTaLpVpGdGgNcLpFqDqFdWaVdGvPvFgYrVqGgFpFlGsVvAqTlFvFvFlAvAvLvGlIvIvLlIqAvWvSlAcVvLvQvGpTdWpNdPqQqLpIrSkVqYaPaPaAaLcEvYcGwLaGhGaAdPdLsAnKrGhGnLsWvQvIvIsTvIvCsAvTlGsAnFqVlSsWvAlLvRvElVsEsIsCcRrKsLnGvIhGdYsHlIpPsFvAlFsAvFlAvIvLvAlYlLcTlLqVqLpFlRqPsVvMlMlGtAhWsGnYsAhFqPmYpGgIdWvTsHnLvDvWsVvSvNvTl...
ALLSFERKYRVPGGTLVGGNLFDFWVGPFYVGFFGVATFFFAALGIILIAWSAVLQGTWNPQLISVYPPALEYGLGGAPLAKGGLWQIITICATGAFVSWALREVEICRKLGIGYHIPFAFAFAILAYLTLVLFRPVMMGAWGYAFPYGIWTHLDWVSNTGYTYGNFHYNPAHMIAISFFFTNALALALHGALVLSAANPEKGKEMRTPDHQDTFFRDLVGYSIGTFGIHRLGLLLSLSAVFFSALCMIITGTIWFDQWVDWWQWWVKLPWWANIPGGINGNIFSQVQVRGPADLGMTEDVNLANRSGVGPFSTLLGWFG...
3DTR_3_k12
2
-7
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753
Q9I700
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdRaPaPfReLeLeCeVeDaDqNpPvAvNlLqLvLvVvQqTvLlLsSvDvLqGpAhQnVyTdAyVyDrSdGlYvAvAvLlEvVvVvQvRvEdRdFgDqLeVyFeMaDeVqQdMdPpGpMaDgGrRlQnAsTlElAsInRvRvWcEcAvEvRvEvVhSpPdVhPaVyIeAyLeTeAaHdAdLdSpNvErKqRvAsLsLvQvAsGpMhDdDyYyLdThKpPpIdDdEsQvQvLvAqQvVvVsLcKvWrTrGvLdSgLtGd
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7QZO_1_k12
0
-2.3
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s570
Q9H999
[NH0][Branch1][S][CH0][=CH1][NH0][Branch1][C][H][CH0][Branch1][C][ClH0][=CH1][NH0][Ring1][Branch2][H][CH2][CH2][NH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH1][=CH1][Ring1][=Branch2][CH2][CH2][Ring2][Ring1][O]
CC(C)c1ccc(CC(=O)N2CCN(C3=CNC(Cl)=CN3)CC2)cc1
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SPWFGMDIGGTLVKLSYFEPIDITAEEEQEEVESLKSIRKYLTSNVAYGSTGIRDVHLELKDLTLFGRRGNLHFIRFPTQDLPTFIQMGRDTVLCATGGGAYKFEKDFRTIGNLHLHKLDELDCLVKGLLYIDSVSFNGQAECYYFANASEPERCQKMPFNLDDPYPLLVVNIGSGVSILAVHSKDNYKRVTGTSLGGGTFLGLCSLLTGCESFEEALEMASKGDSTQADKLVRDIYGGDYERFGLPGWAVASSFGNMIYKEKRESVSKEDLARATLVTITNNIGSVARMCAVNEKINRVVFVGNFLRVNTLSMKLLAYA...
6X4L_1_k12
2
-5.4
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125132
Q9Z2V5
[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
IdTaGeLeVeYdDdQlRlMlMqLvHwHaNfMpWvDdSqHqHpPlElLhPsQcRlIlSvRlIlFvSvRlHcEvEvLvRpLvLnSvRlChHdRyIfPyAfRdLfAaTdEvEvElLlAlLlCqHaSdSpKqHlIlSvIvIlKvSvSlElHvMdKdPlRvDvLqNvRvLvGqDvEvYeNaSdIeFrIgSdNnEcSnYnTvCqAlLrLrAlAlGrSrClFlNrSqAlQvAcIcLlTvGpQvVdRvNaAyVeAyIsVgRdPdPfGaHlHqAaEaKnDyTaAaCyGdFsChFrFhNrTsAqAlLsTsAvRcYsAnQcSvIvTpRpEn...
ITGLVYDQRMMLHHNMWDSHHPELPQRISRIFSRHEELRLLSRCHRIPARLATEEELALCHSSKHISIIKSSEHMKPRDLNRLGDEYNSIFISNESYTCALLAAGSCFNSAQAILTGQVRNAVAIVRPPGHHAEKDTACGFCFFNTAALTARYAQSITRESLRVLIVDWDVHHGNGTQHIFEEDDSVLYISLHRYEDGAFFPNSEDANYDKVGLGKGRGYNVNIPWNGGKMGDPEYMAAFHHLVMPIAREFAPELVLVSAGFDAARGDPLGGFQVTPEGYAHLTHQLMSLAAGRVLIILEGGYNLTSISESMSMCTSMLL...
7O2P_4_k12
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82313
P17169
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5VMF_2_k12
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s967
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MFERIDYYAGDPILGLVEKFAADNNPDKVNLGIGIYYDESGVMPVLDCVKIAEQRIADPISPRPYLPMAGLPGHRKGCQELLFGKDAPVLKDGLVATIATIGGSGALKVGAEFIHEWFPQSKCYVSDPTWGNHIAIFEGCDIEVGKYPYYDTATGGIKFDEMIAFFETLNKDDVLLLHPCCHNPTGVDLTREQWDTVLNVIQERELIPFMDIAYQGFGEDMDSDAYAIRKAVDMGLPLFVSNSFSKNLSLYGERVGGLSVVCPTVDETERVFGQLNSTVRRIYSSPPSHGGRVVDIVMNDAALHEQWVGEVYAMRDRIKS...
4RKD_1_k12
1
-8.3
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s171
P30860
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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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1EQA_2_k12
1
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174
P42330
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6MRF_1_k12
0
-2
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1567
P27708
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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3PCK_1_k12
0
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25113134
P07900
[C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch2][CH2][C@@H1][Ring2][Ring1][=Branch1][OH0][H]
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5XB2_2_k12
1
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174
Q9UGL1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5FZH_1_k12
0
-2.8
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5313575
P05027
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7D93_2_k12
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s62
P29563
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3R5W_1_k12
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3776
Q04957
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89847
P29274
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][CH3][=CH1][CH1][=CH0][Branch1][=N][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][S]
COC(=O)c1ccc(S(N)(=O)=O)cc1
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IKQGIREVILCKDQDGKIGLRLKSIDNGIFVQLVQANSPASLVGLRFGDQVLQINGENCAGWSSDKAHKVLKQAFGEKITMTIRDRPFERTITMHKDSTGHVGFIFKNGKITSIVKDSSAARNGLLTEHNICEINGQNVIGLKDSQIADILSTSGTVVTITIMPAFIFEHIIKRMAPSIMKSLMDHTIPEV
7FSI_3_k12
2
-5.2
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444205
P06276
[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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DIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVN...
6ZWI_2_k12
0
-3.5
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s222
P04191
[C@@H1][C@H1][Branch1][=N][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@@H1][Branch1][=N][OH0][C@@H1][Branch1][Ring1][OH0][H][CH0][Branch1][C][CH3][=CH1][CH3][CH0][Branch1][C][CH3][=CH0][Ring2][Ring1][Branch2][C@@H1][OH0][CH0][=Branch1][C][=OH0][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][C@@][Ri...
CC=C(C)[C@H](O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC
MdElAlAlHlSfKdSaTqEvEvCqLlAvYvFlGvVhSdElTqTaGwLaTePpDvQsVlKvRvHqLcEvKvYfGpHwNfEaLaPdAdEdEdGdKqSdLpWvEnLlVlIvEvQlFcEvDaLlLlVlRvIlLlLlLvAlAlCvIlSlFqVvLlAlWvFpEdEpGdEpEvTvIvTqArFnVpEqPsFvVvIsLvLvIlLsIvAvNsAsIvVvGsVsWvQcEvRvNpAaEdNfAlIlEvAvLlKcEvYlEaPfEqMkGfKwVfYgRhAnDvRdKrSdViQdRiIdKgAlRrDsIdVgPfGsDtIkVgEkVdAfVaGpDdKrVaPs...
MEAAHSKSTEECLAYFGVSETTGLTPDQVKRHLEKYGHNELPAEEGKSLWELVIEQFEDLLVRILLLAACISFVLAWFEEGEETITAFVEPFVILLILIANAIVGVWQERNAENAIEALKEYEPEMGKVYRADRKSVQRIKARDIVPGDIVEVAVGDKVPADIRILSIKSTTLRVDQSILTGESVSVIKHTEPVPDPRAVNQDKKNMLFSGTNIAAGKALGIVATTGVSTEIGKIRDQMAATEQDKTPLQQKLDEFGEQLSKVISLICVAVWLINIGHFNDPVHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLA...
3AR6_2_k12
1
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32838
Q9SQL2
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NC(N)=[NH2+]
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSINAAKSELDKAINAAKSELDKAIGANTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
2F2Q_1_k12
0
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12231435
I6Y9J2
[C@@H1][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][OH0][C@@H1][Ring1][=Branch1][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
CC(=O)[C@@H]1O[C@@H]1c1ccccc1
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DLLVPKLTASVTDGAVGVTVDAPVSVTAADGVLAAVTMVNDNGRPVAGRLSPDGLRWSTTEQLGYNRRYTLNATALGLGGAATRQLTFQTSSPAHLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIV...
8BK3_1_k12
2
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41042198
A0A172U6X0
[CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Branch1][C][H][C@@H1][Branch2][Ring1][Ring1][CH0][=CH1][CH1][=CH0][Branch1][=Branch2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH1][=CH1][Ring1][N][NH0][Ring2][Ring1][Branch2][H]
O=C1N[C@H](c2ccc(N3CCOCC3)cc2)Nc2ccccc21
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GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPE
5NT4_2_k12
1
-13.7
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8172
P23458
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4JX2_1_k12
0
-4.5
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s580
Q60972
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][C@H1][Branch2][Ring1][C][NH0][Branch1][=C][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=N+1][Branch1][C][H][H][H][C@@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@H1][Branch1][=C][C@H1][Branch1][Ring1][OH0][H][C@H1][Bra...
CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)OC(C(=O)O)=C[C@@H]1NC(N)=[NH2+]
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RNFNNLTKGLCTINSWHIYGKDNAVRIGESSDVLVTREPYVSCDPDECRFYALSQGTTIRGKHSNGTIHDRSQYRALISWPLSSPPTVYNSRVECIGWSSTSCHDGKSRMSICISGPNNNASAVVWYNRRPVAEINTWARNILRTQESECVCHNGVCPVVFTDGSATGPADTRIYYFKEGKILKWESLTGTAKHIEECSCYGERTGITCTCRDNWQGSNRPVIQIDPVAMTHTSQYICSPVLTDNPRPNDPNIGKCNDPYPGNNNNGVKGFSYLDGANTWLGRTISTASRSGYEMLKVPNALTDDRSKPIQGQTIVLNAD...
5L17_4_k12
1
-7.9
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176
P19938
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3LQS_2_k12
0
-3.5
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753
342423
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4ND4_1_k12
0
-3
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64960
Q8Y8D7
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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6HA9_3_k12
0
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446996
P03448
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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4XKF_2_k12
0
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92209620
P41143
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4NP5_1_k12
1
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445184
G4NAZ1
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7EEJ_1_k12
2
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s674
P49587
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NCC1=CCNC(N)=C1
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7Q9W_2_k12
0
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92209481
P55245
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O=c1ccn([C@H]2C[C@H](O)[C@H](COP(=O)(O)O)O2)c(=O)[nH]1
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5X69_1_k12
1
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s650
P97438
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3QLY_2_k12
1
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446996
P29475
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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2EAK_4_k12
0
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s392
Q15149
[CH2][Branch2][Ring1][Ring2][CH1][Branch1][C][CH3][CH2][CH2][CH2][CH1][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH3][C@H1][Branch1][O][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][OH0][H]
CC(C)=CCCC(C)CCCC(C)C[C@@H](O)P(=O)(O)O
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1N94_1_k12
1
-7.1
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90655273
Q6P988
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OS(O)(O)CCN1CCOCC1
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EMIPTEEALRIVFGVSKRLPPVIVSLYEALGKVLAEDIRAPDPLPPYPASVKDGYAVVASDGPGEYPVITESRAGNDGLGVTVTPGTVAYVTTGGPIPDGADAVVQVEDTKVIGDESKRVKILIQTKKGTDIRRVGCDIEKDATVLTTGERIGASEIGLLATAGVTMVKVYPMPIVAILSTGDELVEPTAGTLGRGQIRDSNRAMLVAAVMQQQCKVVDLGIVRDDRKELEKVLDEAVSSGVDIILTSGGVDMGDRSFVKPLLEEKGKVYFSKVLMKPGKPLTFAEIRAKPGKTVLAFGLPGNPVSCLVCFNIFVVPTIR...
6Q32_2_k12
0
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s278
P11838
[NH0][Branch1][C][H][CH0][Branch1][C][CH3][=CH0][Branch1][N][CH1][NH0][Branch1][C][H][CH1][=CH1][NH0][Ring1][=Branch1][CH3][SH0][CH1][Ring1][=C][NH0][Branch1][C][H][H]
CC1=C(C2NC=CN2C)SC(N)N1
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5MB5_1_k12
0
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176
P01031
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7T47_1_k12
0
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753
P16213
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRD
6PUC_1_k12
0
-3
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5246742
Q12718
[CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][=CH1][CH2][NH0][Ring1][#Branch2][H]
NC1NC=CCN1
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFGKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S7X_5_k12
0
-2.9
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8200
O75503
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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APLAPPLAEDRSYRTWRVEDYVEAWERYHGREMTEDERENLARGCIGVTVVNLNREDLSNPPLNLSFGSLRTAEAVQAALNKIVDTHPSPAQYEAAVAKDPILKRLKNVVKALPSWIDSAKLKASIFSKRFYSWQNPDWSEERAHTTYRPDRETDQVDMSTYRYRARPGYVNFDYGWFDQDTNTWWHANHEEPRMVVYQSTLRHYSRPLQDFDEQVFTVAFAKKD
5M6Q_2_k12
0
-3.6
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8182
P26368
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC
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HKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEA...
1E7G_1_k12
2
-5.5
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54294271
P38974
[CH2][Branch2][Ring1][C][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
TdGpRdPpElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKlGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTlTsLvVlPsAvIlAsFnTvMlYsLvScMvLnLvGpYnGqLwTdMwVaPaFaGpGnEdQtNfPiIfYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLsLlVlDvAhDdQpGvTlIsLcAlLlVnGvAlDsGnIlMlIsGvTlGqLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFvFpGvFsTvSvKrApEvSvMhRd...
TGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAVGFGLILLRSRAIFGEAE
7Z0E_3_k12
2
-5.6
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1530178
A7QEU4
[CH2][Branch1][=C][CH2][NH0][Branch1][C][H][S@][Branch1][C][CH3][=Branch1][C][=OH0][=OH0][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][#Branch1]
CS(=O)(=O)NCCc1ccc(F)cc1
MdRaEaIeVaHeIeQaAeGdQqCqGrNlQvIlGvAlKlFlWcEvVfIlScDvEvHlGqIqDaPlTqGqSaYrHdGdDdSdDpLqQsLpEpRqIlNrVrYqYwNdEaAdTpGpNrKgYtVaPgRnAyIaLyVeDyLaEdPcGvTrMlDvScVlRcSvGdPrFsGnQnIrFhRdPpDlNrFyVfFyGhQhSpGhAfGaNqNpWlAlKcGqHaYpTnEvGvAvEvLrVlDvSsVnLvDvVsVvRvKvEsSvEvSpCdDpChLyQqGaFyQeLyTeHaSeLqGqGgGhTnGcSqGnMnGvTlLnLnIlSvKvIvRcEvEvYvPv...
MREIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSRQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMS...
5S5X_1_k12
2
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5288834
P12497
[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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4OU5_2_k12
0
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s565
B8NJH3
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6IX7_3_k12
1
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146020568
P16276
[CH0][=Branch1][C][=OH0][C@H1][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@H1][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][Branch2][NH0][Ring2][Ring1][O][H]
COc1ccc(C[C@@H]2NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1
TdAdTdVdLfLaEeVpPdFpSdAlRdGfDqRdIdPdDpAvVlAvEvLcRcTvRpEpPqIwRdKwVhRaTaIpTlGrAfEiAaWtLeVhSfSaYqAvLlClTqQvVlLlEaDdRcRlFqSdMqKlEvTqAlApApGpAfPrRhLnNaAdLaTlVdPdPsEvVcVsNcNlMvGvNlIcAvDvAlGvLnRlKvAvVqMlKvAlIqTfPcKpAdPpGcLlElQvFvLlRlDvTvAlNlSvLlLlDvNvLdIvTvEvGaAfPwAdDfLcRqNvDsFhAlDlPlLsAlTqAqLsHlCcKqVqLaGqIhPdQsEvDvGrPvKvLlFq...
TATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPN...
6UPG_1_k12
1
-8.9
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753
Q11CV9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdIdEdRfRaKeIeAeVeIaGdScGpQqIqGnGlNvIlAcYlIvVcGlKlDvNlLvAgDaVyVeLyFeDdIpAdEpGpIrPqQqGvKsAqLvDvIsTvHvScMnVvMvFsGvSgTpShKhVyIhGyTdNpDdYlAlDvIcSaGpShDqVeVyIeIyTpAdSfIdPfGdRaPdKdDaDwRqSlEvLrLvFpGvNvAlRvIvLlDlSvVvAlEvGsVcKlKvYrCpPlNnAhFqVyIeCyIaTrNpPpLfDfVlMsVqSvHsFnQcKvVnSnGvLhPdHqNlKsVtCwGyMpAaGwVqLlDlSfSlRlFlRlTvFlIvAcQv...
MIERRKIAVIGSGQIGGNIAYIVGKDNLADVVLFDIAEGIPQGKALDITHSMVMFGSTSKVIGTNDYADISGSDVVIITASIPGRPKDDRSELLFGNARILDSVAEGVKKYCPNAFVICITNPLDVMVSHFQKVSGLPHNKVCGMAGVLDSSRFRTFIAQHFGVNASDVSANVIGGHGDGMVPATSSVSVGGVPLSSFIKQGLITQEQIDEIVCHTRIAWKEVADNLKTGTAYFAPAAAAVKMAEAYLKDKKAVVPCSAFCSNHYGVKGIYMGVPTIIGKNGVEDILELDLTPLEQKLLGESINEVNTISKVLDNAP
4ND3_1_k12
0
-4.2
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445395
Q07889
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][#Branch2][NH0][Branch2][Ring1][=N][CH2][C@@H1][Branch2][Ring1][=Branch1][C@@H1][Branch1][P][C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][H][OH0][H][OH0][H][CH0][=CH1][CH0][Bra...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2
AdLqFqEpPwYdTdLfKqDnVdTiLfRrNgRqIeAeIaPdPeMdSwQpYlMaAaEaDlGqMaIdNdDvWvHvHlVcHlLlAlGlLlAlRqGlGqAgGrLaLyVeVyEhAaTaAeVlAdPsEqGqRaIlTePnGsCgAhGyIqWvSdDlAvHsAlQlAsFcVqPvVsVcQvAsIsKvAvAsGnShVaPyGeIyQeIyAtHgAqGaRlKnAhScAaNdRdPpWvEvGqDrDaHhIdAdApDpDdTvRrGgWdEaTgIeAaPcSaAqIdAfFlGdAdHrLrPrKhVgPhRhEhMdTdLpDvDnIlAvRvVvKlQvDsFlVqDs...
ALFEPYTLKDVTLRNRIAIPPMSQYMAEDGMINDWHHVHLAGLARGGAGLLVVEATAVAPEGRITPGCAGIWSDAHAQAFVPVVQAIKAAGSVPGIQIAHAGRKASANRPWEGDDHIAADDTRGWETIAPSAIAFGAHLPKVPREMTLDDIARVKQDFVDAARRARDAGFEWIELHFAHGYLGQSFFSEHSNKRTDAYGGSFDNRSRFLLETLAAVREVWPENLPLTARFGVLEYDGRDEQTLEESIELARRFKAGGLDLLSVSVGFTIPDTNIPWGPAFMGPIAERVRREAKLPVTSAWGFGTPQLAEAALQANQLDLV...
3L68_3_k12
1
-8.8
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10058240
P30419
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NCC[C@@H](N)C(=O)N1CCCCC1
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3N0T_1_k12
2
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9980841
Q23760
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NC1N=C2NC=C(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)N=C2C(=O)N1
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7LVC_2_k12
1
-8.8
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12374
P09874
[CH2][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][CH2][OH0][H]
OCCCCCCO
GdTpRvFqEvRvDvLvLcVvEvLlWvKvAlGqFkAdAkIdRaVdApGpScGpVvSdPpFaPqCaPaDgImVwAiGdNrGpRaTaYiLeAgIeEhVeKeMeRdKqEaLdPkLdYwLdSaApDvEnVlEvQsLqVvTvFvAcRvGvFvGvAhEfAyYwVyAwLyKhLyPpRpKdKaWiRfFiFhPgVvQvMqLwEdRdTdEpKgNtFtKiIdDgEdSvVrYpPvLvGtLhEhIsAnEvVvAsGvKcFnFpQpEd
GTRFERDLLVELWKAGFAAIRVAGSGVSPFPCPDIVAGNGRTYLAIEVKMRKELPLYLSADEVEQLVTFARGFGAEAYVALKLPRKKWRFFPVQMLERTEKNFKIDESVYPLGLEIAEVAGKFFQE
2WIW_1_k12
0
-3.3
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174
Q9F7E0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5SYN_1_k12
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