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
P22303
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
CdPdRqFwLdKwVwKaNfWvEpTpErVdViLfTiDfTrLcHqLvKqSfTdLdEdTpGlCdTdEpYvIdCdMpGlSpIpMpHdPsRaPlEqDdVaAdTfKlDvQrLlFlPvLlAqKlEvFlIlDqQvYlYcSvSvIvKvRnFhGpShKpAvHsMvEvRvLsEvEvVqNnKvEcIcDvTpTqSvTgYdQdLdKdDpTsEsLvIlYvGqAqKlHvAqWlRlNqAaSqRlCdVlGqRnIvQcWsSnKqLeQaVeFaDeAaRqDvCdTaTdAqHvGsMvFlNvYvIvClNvHvVlKqYqAqTpNvKqGqNaLgRgSkAyIkTyIf...
CPRFLKVKNWETEVVLTDTLHLKSTLETGCTEYICMGSIMHPRPEDVATKDQLFPLAKEFIDQYYSSIKRFGSKAHMERLEEVNKEIDTTSTYQLKDTELIYGAKHAWRNASRCVGRIQWSKLQVFDARDCTTAHGMFNYICNHVKYATNKGNLRSAITIFPQRTDGKHDFRVWNSQLIRYAGYKQPDGSTLGDPANVQFTEICIQQGWKPPRGRFDVLPLLLQANGNDPELFQIPPELVLEVPIRHPKFEWFKDLGLKWYGLPAVSNMLLEIGGLEFSACPFSGWYMGTEIGVRDYCDNSRYNILEEVAKKMNLDMRKT...
6POB_1_k12
0
-3.5
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753
O55173
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
HdWaGaYcGdKpHdNrGrPqEvHpWvHcKvDvFqPvIcAsDvGpEqRfQaSdPdVaDeIaDaTpKvAqVaDaQaDdPpAqLaKdPdLkAdLwVqYqGpEqAwTkSwDwRkMwVaNdNaGlHqSwFiNkVtEaYtDdDqSpEdDaKrAtVwLiKdDtGgPvLaTdGaTiYwRhLfVgQiFkHtFkHfWaGaSqSaDqDqQaGtSdEgHyThVyDnRpKgKhYgAgAmEkLmHkLgVkHtWfNhTvKvYqGvDdFqGvTsAlAlQqQaPqDqGtLiAeViVeGiVaFgLaKhVaGdDdAaNqPvAlLvQvKvVvLlDvAcLc...
HWGYGKHNGPEHWHKDFPIADGERQSPVDIDTKAVDQDPALKPLALVYGEATSDRMVNNGHSFNVEYDDSEDKAVLKDGPLTGTYRLVQFHFHWGSSDDQGSEHTVDRKKYAAELHLVHWNTKYGDFGTAAQQPDGLAVVGVFLKVGDANPALQKVLDALDSIKTEGKSTDFPNFDPGSLLPNVLDYWTYPGSLTTPPLLESVTWIVLKEPISVSSQQMLKFRTLNFNAEGEPELLMLANWRPAQPLKDRQVRGFPK
4CNV_1_k12
0
-2.9
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31289
Q92630
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH1][=OH0]
CCCCCCCCC=O
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2ATK_1_k12
0
-3.8
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69551163
Q6N140
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6AQN_2_k12
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s861
P35270
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GLGRAVCLLTGASRGFGRTLAPLLASLLSPGSVLVLSARNDEALRQLEAELGAERSGLRVVRVPADLGAEAGLQQLLGALRELPRPKGLQRLLLINNAGSLGDVSKGFVDLSDSTQVNNYWALNLTSMLCLTSSVLKAFPDSPGLNRTVVNISSLCALQPFKGWALYCAGKAARDMLFQVLALEEPNVRVLNYAPGPLDTDMQQLARETSVDPDMRKGLQELKAKGKLVDCKVSAQKLLSLLEKDEFKSGAHVDFYD
4XWY_1_k12
1
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s656
P02554
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6NMN_1_k12
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KKPFETVLIANRGEIAVRIMKTLKRMGIKSVAVYSDPDKYSQHVTDADFSVALHGRTAAETYLDIDKIINAAKKTGAQAIIPGYGFLSENADFSDRCSQENIVFVGPSGDAIRKLGLKHSAREIAERAKVPLVPNARHVEIQMMGDGFGKAIAIGERDCSLQRRNQKVIEETPAPNLPEATRAKMRAASERLGSLLKYKCAGTVEFIYDEQRDEFYFLEVNARLQVEHPITEMVTGLDLVEWMLRIAANDSPDFDNTKIEVSGASIEARLYAENPVKDFRPSPGQLTSVSFPSWARVDTWVKKGTNVSAEYDPTLAKIIV...
3VA7_1_k12
0
-4.2
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8189
P03303
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCOC
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RGSHMVGRLIYTAGGYFRQSLSYLEAYNPSNGSWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCASMSVPRNRIGVGVIDGHIYAVGGSHGCIHHSSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITPMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVETETWTFVAPMRHHRSALGITVHQGKIYVLGGYDGHTFLDSVECYDPDSDTWSEVTRMTSGRSGVGVAVTMEPC
6LRZ_3_k12
0
-4.1
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s108
P0DOX7
[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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3OZU_1_k12
1
-11.2
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176
O60674
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7KGT_1_k12
0
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753
Q97TX6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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RTCGSELNMEQIRRTEPLKYQRITDWENQIKLHSRSVPSSTILIPVVVHVVYNNSAQNISDAQIISQIQVLNEDFRRMNADQANTPSAFANLAGNANIEFKLARRDPNGNTTNGITRTSTSTETFSMEMDNVKFSNLGGNNAWNTRRYLNIWVCNLGDDLLGYAQFPFEFQTKPNTDGVVIHYKHFGRDGSAESPYDKGRTATHAVGHWLDLRHIWGDDGGSCSGTDNIADTPNQGGYNEGCPSFPKTDHCTNTSPGVMFMNYMDYTYDACMNLFTKGQVERMRSLFDTQTGIRREMQIYANELTNP
6R7V_1_k12
0
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6112
O85465
[CH2][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][C@H1][SH0][SH0][CH2][CH2][Ring1][Branch1]
O=C(O)CCCC[C@@H]1CCSS1
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MEGRLLLLETPGNTRMSLAYDEAIYRSFQYGDKPILRFYRHDRSVIIGYFQVAEEEVDLDYMKKNGIMLARRYTGGGAVYHDLGDLNFSVVRSSDDMDITSMFRTMNEAVVNSLRILGLDARPGELNDVSIPVNKKTDIMAGEKKIMGAAGAMRKGAKLWHAAMLVHTDLDMLSAVLKVPSTRERVANVTDFVDVSIDEVRNALIRGFSETLHIDFREDTITEKEESLARELFDKKYSTEEWNMGLL
2ART_1_k12
2
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5DR0_4_k12
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8117
O60885
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OCCOCCO
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6P0E_2_k12
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679
P34913
[OH0][=S@][Branch1][C][CH3][CH3]
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5AI5_2_k12
0
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8117
Q9L9F4
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7VZN_2_k12
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668
P9WKI7
[CH2][Branch1][Branch2][CH0][=Branch1][C][=OH0][CH2][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
O=C(CO)COP(=O)(O)O
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ARKTIIAGNWKMNLSLKEAVFLAHSIREKIPSISKDKVSMVFPSTLHLENVSKILEGSSVIVGAQNCYHSGLAAFTGETSPDQLKEIGVKVVMVGHSERRQFLGESNFFCNDKIRFLLKNEFTVLYCVGETLSERESGKTLEVLSSQIREGLKGIDSVFFSNLILAYEPVWAIGTGKVATPSQAQEVHSFIRKEISGLFVGASSISESISILYGGSVKPDNIQDLLKEKDIDGGLVGGASQKISSFAGLF
4YMZ_2_k12
2
-5.2
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s139
P0C024
[CH2][Branch2][Ring1][O][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3][CH2][CH2][C@@H1][Branch2][Ring1][Branch1][CH2][CH2][CH0][=CH1][CH0][=Branch1][C][=OH0][CH0][Branch1][C][CH3][=CH0][Branch1][C][CH3][CH0][Ring1][=Branch...
CC1=C(C)C(=O)C(CC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)=CC1=O
GdTdTdGdEdRdPdFvSvDcIlIvTvSdVpRvYnWcVvIvHcSvIpTvIvPvAvLvFvIvAvGvWvLcFcVpSvTvGvLvAvYcDvVvFvGvTpPaRdPpDcSgYqYqAaQpEpQdRpSdIgPlLdVqTdDdRdFpEcArKvQvQsVvEvTvFsLvEvQsLvKdVdSdYdPdIdFdTdVpRvWvVvAvVvHcTvLpAvVvPvTvIvFvFvLvGvAvIvAvAvMvQvFpIdQdRdRdIdPdLvWvIvVvAcTvVvAvGvMvGvVvIcVvIvVvGvLvFvFvYvGcAcYcApGpLpGvShSdLd
GTTGERPFSDIITSVRYWVIHSITIPALFIAGWLFVSTGLAYDVFGTPRPDSYYAQEQRSIPLVTDRFEAKQQVETFLEQLKVSYPIFTVRWVAVHTLAVPTIFFLGAIAAMQFIQRRIPLWIVATVAGMGVIVIVGLFFYGAYAGLGSSL
4TNH_1_k12
2
-6.8
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s580
Q59994
[C@H1][Branch2][Ring1][C][NH0][C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][C@@H1][Ring1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][NH0][Branch1][=C][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=N+1][Branch1][C][H][H][H]
NC(=[NH2+])NCCC[C@H](C(=O)O)N1[C@@H](C(=O)O)CC[C@@H]1O
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YKSITIATEGSYAPYNFKDAGGKLIGFDIDLGNDLCKRMNIECKFVEQAWDGIIPSLTAGRYDAIMAAMGIQPAREKVIAFSRPYLLTPNTFLTTADSPLLKTQVAIENLPLDNITPEQKAELDKFTKIFEGVKFGVQAGTSHEAFMKQMMPSVQISTYDTIDNVVMDLKAGRIDASLASVSFLKPLTDKPDNKDLKMFGPRMTGGLFGKGVGVGIRKEDADLKALFDKAIDAAIADGTVQKLSQQWFGYDASP
4PP0_2_k12
1
-8.8
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174
Q8IXJ6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6B3P_2_k12
0
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2769564
Q06187
[CH1][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH0][=CH0][Ring1][=Branch2][NH0][Branch1][C][CH3][CH1][=CH1][Ring1][=Branch1]
Cn1ccc2cc(N)ccc21
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5OFM_1_k12
2
-5.1
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20100115
Q5R5H1
[CH0][Branch1][=Branch1][CH0][Branch1][C][OH1][=OH0][=CH1][CH1][=CH1][CH0][Branch1][=C][CH0][=CH1][CH1][=CH1][CH0][Branch1][Ring2][CH2][OH0][H][=CH1][Ring1][=Branch2][=CH1][Ring2][Ring1][C]
O=C(O)c1cccc(-c2cccc(CO)c2)c1
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EWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSTRIEPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP
5QA9_2_k12
1
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753
P0C0Y9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3VV7_1_k12
0
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92249
Q9NXA8
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][=Branch2][OH0][CH0][=Branch1][C][=OH0][CH1][=CH0][Ring1][Branch2][CH3]
Cc1cc(=O)oc2cc(N)ccc12
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PSSSMADFRKFFAKAKHIVIISGAGVSAESGVPTFRGAGGYWRKWQAQDLATPLAFAHNPSRVWEFYHYRREVMGSKEPNAGHRAIAECETRLGKQGRRVVVITQNIDELHRKAGTKNLLEIHGSLFKTRCTSCGVVAENYKSPICPALSGKGAPEPGTQDASIPVEKLPRCEEAGCGGLLRPHVVWFGENLDPAILEEVDRELAHCDLCLVVGTSSVVYPAAMFAPQVAARGVPVAEFNTETTFRFHFQGPCGTTLPEALA
5XHS_1_k12
0
-4.1
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449440
P41180
[NH0][Branch1][C][H][C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH0][=CH0][Branch1][#C][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][Ring2][Ring1][Ring1]
O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)CN1
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PDQRAQKKGDIILGGLFPIHFGVAAKDQDLKSRPESVECIRYNFRGFRWLQAMIFAIEEINSSPALLPNLTLGYRIFDTCNTVSKALEATLSFVAQNKIDSLNLDEFCNCSEHIPSTIAVVGATGSGVSTAVANLLGLFYIPQVSYASSSRLLSNKNQFKSFLRTIPNDEHQATAMADIIEYFRWNWVGTIAADDDYGRPGIEKFREEAEERDICIDFSELISQYSDEEEIQHVVEVIQNSTAKVIVVFSSGPDLEPLIKEIVRRNITGKIWLASEAWASSSLIAMPQYFHVVGGTIGFALKAGQIPGFREFLKKVHPRK...
5FBK_3_k12
1
-8.2
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1567
P12319
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALANMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYK
244L_1_k12
0
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130215601
Q6DN04
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][H]
NC1=C2NCNC2NCN1
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5U7W_1_k12
0
-4.8
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5309
Q2HJF7
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2WEL_2_k12
1
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s1042
Q9WVG6
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NCCCN(CCCCCNC(N)=[NH2+])C[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@H]1O
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6S70_1_k12
1
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753
P11558
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7B2H_5_k12
0
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174
O67060
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6R78_3_k12
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s65
P0AGC3
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1BE4_1_k12
1
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445318
P50613
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VGGGGVKFIEMDIRDKEAYELAKEWFDEVVVSIKFNEEVDKEKLREARKEYGKVAILLSNPKPSLVRDTVQKFKSYLIYVESNDLRVIRYSIEKGVDAIISPWVNRKDPGIDHVLAKLMVKKNVALGFSLRPLLYSNPYERANLLRFMMKAWKLVEKYKVRRFLTSSAQEKWDVRYPRDLISLGVVIGMEIPQAKASISMYPEIILKRRKLKTLPPTLRDKNRYIAFEIISDGDFTKDEVKELIWKSSLEVLGETGTAIVKPWLIKFDPNTKTGIVRSDREYVEYLRFALMLVSEFNGKRLIIRTLGVSGTIKRLKRKFL...
2CZV_2_k12
2
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79718
Q460N3
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OCCOCCOCCOCCOCCOCCOCCO
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6DXY_2_k12
0
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151210
P9WFX5
[CH3][CH0][=CH1][CH1][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][=Branch2][CH0][=Branch1][C][=OH0][OH0][H]
Cc1cccc(N)c1C(=O)O
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VPSWPQILGRLTDNRDLARGQAAWAMDQIMTGNARPAQIAAFAVAMTMKAPTADEVGELAGVMLSHAHPLPADTVPDDAVDVVGTGGDGVNTVNLSTMAAIVVAAAGVPVVKHGNRAASSLSGGADTLEALGVRIDLGPDLVARSLAEVGIGFCFAPRFHPSYRHAAAVRREIGVPTVFNLLGPLTNPARPRAGLIGCAFADLAEVMAGVFAARRSSVLVVHGDDGLDELTTTTTSTIWRVAAGSVDKLTFDPAGFGFARAQLDQLAGGDAQANAAAVRAVLGGARGPVRDAVVLNAAGAIVAHAGLSSAEWLPAWEEGL...
4N93_1_k12
2
-5.5
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177
P02621
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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AGILADADCAAAVKACEAADSFSYKAFFAKCGLSGKSADDIKKAFVFIDQDKSGFIEEDELKLFLQVFKAGARALTDAETKAFLKAGDSDGDGAIGVEEWVALVKAAFAGILADADCAAAVKACEAADSFSYKAFFAKCGLSGKSADDIKKAFVFIDQDKSGFIEEDELKLFLQVFKAGARALTDAETKAFLKAGDSDGDGAIGVEEWVALVKA
1A75_1_k12
0
-1.6
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s1000
P0A0K7
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@H1][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][Ring1][#C][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=Branch1][OH0][P@][...
NC1=C2NCN([C@@H]3O[C@@H]4CO[P@@](=O)(O)O[C@@H]5[C@H](O)[C@@H](CO[P@@](=O)(O)O[C@H]4[C@H]3O)O[C@H]5N3CNC4=C3NC(N)NC4=O)C2NCN1
GdAvSvKlLlRvAvVvLvEvKvLvKcLvScRvDvDvIvSvTvAlAvGvMvVvKvGvVlVvDvHvLvLlLvRlLqKcCpDdSpAlFqRvGqVwGdLwLdNpVpKwIdSfAdPaNlEeFiDeVtMeFiKeLgEeVdPaRaIwQdLwEdEdYdSdNpTqRqAwYkYtFwViKaFpLpSvQvFqLdEpGdErItLrSfAlSvKvMvLlSvKvFvRlKvIsIsKqEvEvIvNvDpIvKpDvTwDpVkIdMwKdRdKdRdGaGlSdPqAfVrTwLiLaItSpEnKrIrSiVyDtIyTwLyAkLyEkShKqSdSqWdPdApSlTlQv...
GASKLRAVLEKLKLSRDDISTAAGMVKGVVDHLLLRLKCDSAFRGVGLLNVKISAPNEFDVMFKLEVPRIQLEEYSNTRAYYFVKFLSQFLEGEILSASKMLSKFRKIIKEEINDIKDTDVIMKRKRGGSPAVTLLISEKISVDITLALESKSSWPASTQEGLRIQNWLSAKVRKQLRLKPFYLVPKHAEETWRLSFSHIEKEILNNHGKSKTCCENKEEKCCRKDCLKLMKYLLEQLKERFKDKKHLDKFSSYHVKTAFFHVCTQNPQDSQWDRKDLGLCFDNCVTYFLQCLRTEKLENYFIPEFNLFSSNLIDKRSKE...
8SI0_1_k12
1
-9.1
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
444655
P00748
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=Branch1][=Branch1][=N+1][Branch1][C][H][H][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
NC(=[NH2+])c1ccccc1
VdVaGlGwLdVfAdLdRlGlApHaPqYfIkAkAwLkYdWfGdHpSdFiCeAiGwSgLfIqAdPqCfWkVtLkTfAwAqHlCsLcQpDvRpPdAdPqEqDrLmTkViVwLgGsQdEfRfRpNpHdSdCdEdPlCiQdTiLwAgVfRpSdYkRdLqHdEpApFaSdPnVvSlYrQaHsDtLmAmLmLtRgLtQdEaDdApDvGrSgCgAhLdLdSdPsYnVhQdPgVfChLaPdSpGlAvAdRdPdSdElTaTkLkCkQkVaAkGfWqGqHdQnFfEqGpAdEpEdYtAhSgFgLiQtEmAdQiVkPtFwLdSdLvEvRlCq...
VVGGLVALRGAHPYIAALYWGHSFCAGSLIAPCWVLTAAHCLQDRPAPEDLTVVLGQERRNHSCEPCQTLAVRSYRLHEAFSPVSYQHDLALLRLQEDADGSCALLSPYVQPVCLPSGAARPSETTLCQVAGWGHQFEGAEEYASFLQEAQVPFLSLERCSAPDVHGSSILPGMLCAGFLEGGTDACQGDSGGPLVCEDQAAERRLTLQGIISWGSGCGDRNKPGVYTDVAYYLAWIREHTVS
6B74_3_k12
2
-5.4
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s86
P18031
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7FRG_2_k12
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670
P86993
[CH0][=Branch1][C][=OH0][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
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5KU3_3_k12
0
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974
Q9UFN0
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5K9F_2_k12
0
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8200
Q4U3Q4
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4LD1_2_k12
0
-3.3
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8117
P33182
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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PHIFTLSVPFPTPLEAEIAHGSLAPDAEPHQRVVGKDLTVSGRILVVRWKAEDCRLLRISVINFLDQLSLVVRTMQRFGPPVSRPAVLGFEGSANKIGVGVVRDGKVLANPRRTYVTPPGTGFLPGDTARHHRAVILDLLQEALTESGLTSQDIDCIAYTKGPGMGAPLVSVAVVARTVAQLWNKPLVGVNHCIGHIEMGRLITGATSPTVLYVSGGNTQVIAYSEHRYRIFGETIDIAVGNCLDRFARVLKISNDPSPGYNIEQMAKRGKKLVELPYTVKGMDVSFSGILSFIEDVAHRMLATGECTPEDLCFSLQETV...
6GWJ_3_k12
0
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s91
P70353
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7VX3_1_k12
1
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753
P07206
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5YND_1_k12
0
-3.2
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s434
P02699
[CH0][=CH0][Branch2][Ring1][N][CH1][=CH0][Branch2][Ring1][Ring1][C@H1][SH0][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][NH0][Ring1][=Branch2][H][CH1][=CH1][Ring1][S][CH0][Branch2][Ring1][=Branch2][CH1][NH0][Branch1][C][H][CH0][Branch1][N][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][Ring1][Bran...
NC1NN[C@@H](c2ccc3[nH]cc(C4C=CC=C(NC5CCCC5)N4)c3c2)S1
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PLESQYQVGPLLGSGGFGSVYSGIRVSDNLPVAIKHVEKDRISDWGELPNGTRVPMEVVLLKKVSSGFSGVIRLLDWFERPDSFVLILERPEPVQDLFDFITERGALQEELARSFFWQVLEAVRHCHNCGVLHRDIKDENILIDLNRGELKLIDFGSGALLKDTVYTDFDGTRVYSPPEWIRYHRYHGRSAAVWSLGILLYDMVCGDIPFEHDEEIIRGQVFFRQRVSSECQHLIRWCLALRPSDRPTFEEIQNHPWMQDVLLPQETAEIHLH
4WT6_1_k12
1
-10.3
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753
Q9HYT3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MAYHDPLTGLPNRRYFFELGNRYLDLAKREGKKVFVLFVDLAGFKAINDTYGHLSGDEVLKTVSKRILDRVRRSDVVARYGGDEFTILLYDMKEEYLKSLLERILSTFREPVRVENKHLSVTPNIGVARFPEDGENLEELLKVADMRMYKAKEMKVPYFSLS
4URS_2_k12
0
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5G3R_3_k12
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444205
Q26474
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5EO9_1_k12
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168451731
P00880
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7G04_1_k12
1
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64960
P13035
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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1G9J_2_k12
2
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s687
Q59702
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NC1=C2NCN([C@H]3O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3OP(=O)(O)O)C2NCN1
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4H73_1_k12
1
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174
C6XZB6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6YWM_2_k12
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s686
Q50LF0
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CCCCCCC(=O)O[C@@H](COC(=O)CCC)COP(=O)(O)O
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7W7B_3_k12
0
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11005
Q58439
[CH2][Branch1][O][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCC(=O)O
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6DY1_2_k12
1
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Q9ST27
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7048808
P0DPI1
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4E0P_2_k12
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s364
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6T5G_2_k12
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753
P9WKZ3
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5ZQP_2_k12
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s668
P01008
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O=S1(=O)C[C@H](Cc2ccc(O)c(Br)c2)[C@H](O)[C@@H](NCc2cccc(C3CC3)c2)C1
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EMVDNLRGKSGQGYYVEMTVGSPPQTLNILVDTGSSNFAVGAAPHSPFFVLHRYYQRQLSSTYRDLRKGVYVPYTQGKWEGELGTDLVSIPHGPNVTVRANIAAITESDKFFINGSNWEGILGLAYAEIARPDDSLEPFFDSLVKQTHVPNLFSLQLCGASVGGSMIIGGIDHSLYTGSLWYTPIRREWYYEVIIVRVEINGQDLKMDCKEYNYDKSIVDSGTTNLRLPKKVFEAAVKSIKAASSTEKFPDGFWLGEQLVCWQAGTTPWNIFPVISLYLMGEVTNQSFRITILPQQYLRPVEDVATSQDDCYKFAISQSS...
3PI5_1_k12
1
-9.9
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s17
Q8G0S7
[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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ARTDNFKLSSLANGLKVATSNTPGHFSALGLYIDAGSRFEGRNLKGCTHILDRLAFKSTEHVEGRAMAETLELLGGNYQCTSSRENLMYQASVFNQDVGKMLQLMSETVRFPKITEQELQEQKLSAEYEIDEVWMKPELVLPELLHTAAYSGETLGSPLICPRGLIPSISKYYLLDYRNKFYTPENTVAAFVGVPHEKALELTGKYLGDWQSTHPPITKKVAQYTGGESCIPPAPVFGNLPELFHIQIGFEGLPIDHPDIYALATLQTLLGGGGSGPGKGMYSRLYTHVLNQYYFVENCVAFNHSYSDSGIFGISLSCIP...
1HR9_1_k12
0
-3.8
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7237
P96789
[CH3][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH3]
Cc1ccccc1C
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RLIYTAGGYFRQSLSYLEAYNPSDGTWLRLADLQVPRSGLAGCVVGGLLYAVGGRNNSPDGNTDSSALDCYNPMTNQWSPCAPMSVPRNRIGVGVIDGHIYAVGGSHGCIHHNSVERYEPERDEWHLVAPMLTRRIGVGVAVLNRLLYAVGGFDGTNRLNSAECYYPERNEWRMITAMNTIRSGAGVCVLHNCIYAAGGYDGQDQLNSVERYDVATATWTFVAPMKHRRSALGITVHQGRIYVLGGYDGHTFLDSVECYDPDTDTWSEVTRMTSGRSGVGVAVTMEPSWRCDEETGEC
8PKU_3_k12
0
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s750
P0DTC1
[C@H1][Branch2][Ring2][C][CH0][Branch2][Ring1][=N][NH0][Branch1][C][H][C@H1][Branch1][#C][C@H1][Branch1][#Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][OH0][H][CH2][C@@H1][CH2][CH2][CH2][Ring1][Ring2][=OH0][C@@H1][C@@H1][Branch1][Branch2][C@][Ring1][Ring1][Branch1][C][CH3][CH3][CH2][NH0][Ring2][Ring1][#Branch...
CC(C)(C)NC(=O)N[C@H](C(=O)N1C[C@H]2[C@@H]([C@@H]1C(=O)N[C@@H](CC1CCC1)[C@@H](O)C(N)=O)C2(C)C)C(C)(C)C
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCS
7C6S_1_k12
1
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s518
Q9I5Q5
[NH0][Branch1][=C][CH2][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H][CH1][=CH1][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][Ring2][Ring1][Ring1]
OCCN1C=CN(CCS(O)(O)O)CC1
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GHMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLEMK
6YWK_2_k12
0
-4.3
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439352
P29476
[C@H1][Branch1][Ring2][CH2][SH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH2][SH0][H]
O[C@H](CS)[C@@H](O)CS
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GNPIVVVHGGGAGPISKDRKERVHQGMVRAATVGYGILREGGSAVDAVEGAVVALEDDPEFNAGCGSVLNTNGEVEMDASIMDGKDLSAGAVSAVQCIANPIKLARLVMEKTPHCFLTDQGAAQFAAAMGVPEIPGEKLVTERNKKRLEKEKHETVGAVALDCKGNVAYATSTGGIVNKMVGRVGDSPCLGAGGYADNDIGAVSTTGHGESILKVNLARLTLFHIEQGKTVEEAADLSLGYMKSRVKGLGGLIVVSKTGDWVAKWTSTSMPWAAAKDGKLHFGIDPDDTTITDLPG
4ZM9_4_k12
0
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174
Q8IBS5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3T3V_2_k12
0
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149747430
P0C0Y9
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CC=C(C)CCC=C(C)C=CC1=C(C)CCCC1(C)C
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4KLY_1_k12
1
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8900
P19549
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH3]
CCCCCCC
DdSvLvKvWvIvVvFvLvQvFvLvIvVvLvLvLvLvAvIvVvFvLvLvRd
DSLKWIVFLQFLIVLLLLAIVFLLR
7UDZ_1_k12
0
-3.4
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,1,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
444205
Q01786
[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
VdEfYfRdNaWqSpKfPaQaCdQdIfTlGaFwAdPfFdSaKwDqNlSqIqRqLcSlAlGpGaDwIaWfVfTwRdElPkYeVkSeCaDaPqGpKfCiYkQiFkAtLwGtQpGqTgTtLcDlNgKvHsSqNfDqTaVpHdDqRaIdPqHrRiTfLiLwMiNdEtLtGrVhPgFhHhLpGvTiRdQrVlCgIgAaWsSaSwSeSwCyHdDrGnKpAwWiLwHiVwCgIwThGdDdDqKqNkAiTkAiSfFiIaYiDpGhRhLtVdDdSiIdGiSaWdSrQrNgIhLkRhTfQaEsSyEyCwVdCyIhNrGqTkCtTkVtVkMi...
VEYRNWSKPQCQITGFAPFSKDNSIRLSAGGDIWVTREPYVSCDPGKCYQFALGQGTTLDNKHSNDTVHDRIPHRTLLMNELGVPFHLGTRQVCIAWSSSSCHDGKAWLHVCITGDDKNATASFIYDGRLVDSIGSWSQNILRTQESECVCINGTCTVVMTDGSASGRADTRILFIEEGKIVHISPLSGSAQHIEECSCYPRYPGVRCICRDNWKGSNRPVVDINMEDYSIDSSYVCSGLVGDTPRNDDSSSNSNCRNPNNERGTQGVKGWAFDNGNDLWMGRTISKESRSGYETFKVIGGWSTPNSKSQVNRQVIVDNN...
3TIC_1_k12
0
-4.5
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753
P00431
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdGqVlEcGqAlAcFfQlSqRvLhPhHlDqRdMdTdSpQlErAcAvClFcPvDvIqIvSvGdPdQnQvTsQvKnVlFlLsFsIlRlNsRqTlLsQsLvWcLlDvNpPvKqIaQaLdTdFlEvAnTsLlQvQpLdEdApPpYsNnSvDdTsVvLsVsHvRsVsHvSvYsLcElRlHlGvLsIgNpFfGaIhYhKhRyIdKdPdLaPdTpKqKaTfGfKeVeIeIeIeGaSqGaVlSlGsLlArAlAqRvQsLlQvSvFlGrMhDhVyTeLyLeEaAqRaDpRdVhGhGqRqVqAaTwFdRdKdGpNqYdViAdDtLfGgAd...
SGVEGAAFQSRLPHDRMTSQEAACFPDIISGPQQTQKVFLFIRNRTLQLWLDNPKIQLTFEATLQQLEAPYNSDTVLVHRVHSYLERHGLINFGIYKRIKPLPTKKTGKVIIIGSGVSGLAAARQLQSFGMDVTLLEARDRVGGRVATFRKGNYVADLGAMVVTGLGGNPMAVVSKQVNMELAKIKQKCPLYEANGQAVPKEKDEMVEQEFNRLLEATSYLSHQLDFNVLNNKPVSLGQALEVVIQLQEKHVKDEQIEHWKKIVKTQEELKELLNKMVNLKEKIKELHQQYKEASEVKPPRDITAEFLVKSKHRDLTALC...
7CDC_1_k12
0
-3.4
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176
P0C0Y9
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
EdFwEdNfPlSlKvKvClEcEvKvFcKvNpDpApScKsMvAqCrIsPlHlCsKnYlQcYvYqGlFlVaApMpDvNrNaIgAdKdPrEnIlRvTsFlSlNvVlLcIcKvYlNpVqVdDdKpSvLcKsAvDvIlRsKvIqMlHvEvCqAsKvKvVlKcKvQvAcRvEpDpSdHpWpLdNpCnRcTsTsIvNsYsYvRvCsIsLvTvDpKpRsIgGdPpQvRsFsDvRvAsIsQvEvYvDrKvTvIdNiIdAdEdApEpFwEdNfPqSlKvKvClEcEvKvFcKvNpDpApScKsMvAqCrIsPlHlCsKnYlQcYvYqGlFl...
EFENPSKKCEEKFKNDASKMACIPHCKYQYYGFVAMDNNIAKPEIRTFSNVLIKYNVVDKSLKADIRKIMHECAKKVKKQAREDSHWLNCRTTINYYRCILTDKRIGPQRFDRAIQEYDKTINIAEAEFENPSKKCEEKFKNDASKMACIPHCKYQYYGFVAMDNNIAKPEIRTFSNVLIKYNVVDKSLKADIRKIMHECAKKVKKQAREDSHWLNCRTTINYYRCILTDKRIGPQRFDRAIQEYDKTINI
7UI2_1_k12
0
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s203
P11838
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8178
P00720
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2BEO_3_k12
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679
P52895
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4MRG_3_k12
0
-2.4
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174
P0DTD1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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9EMV_2_k12
0
-2.5
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447053
O61307
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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8FIA_6_k12
0
-3.9
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2093
P12581
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6TK7_2_k12
1
-11
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s48
P00327
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1QV6_1_k12
1
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2809698
Q01109
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O=C(O)CC1(CC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)CCCC1
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3TFN_1_k12
1
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1032
Q54EW2
[CH0][=Branch1][C][=OH0][Branch1][Ring1][CH2][CH3][OH0][H]
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7MS8_1_k12
0
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8987
O97438
[NH0][Branch1][#Branch1][CH0][=Branch1][C][=SH0][SH0][H][Branch1][Ring1][CH2][CH3][CH2][CH3]
CCN(CC)C(=S)S
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4OLC_2_k12
0
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17472
540881
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OCCOCCOCCOCCOCCOCCO
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7B2I_1_k12
0
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444205
P04035
[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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3O8X_1_k12
0
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753
P20950
[CH2][Branch1][=Branch2][CH1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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1Y9I_1_k12
0
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125132
Q9UGP5
[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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1D6F_1_k12
0
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40677
Q9HD40
[CH3][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
CS(O)(O)O
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6IPF_2_k12
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5281
Q9F7P4
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7CRT_1_k12
0
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8117
Q9RFC8
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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8E7Z_2_k12
0
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1567
P0A6N2
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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5MI8_1_k12
0
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679
O34453
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6JSF_1_k12
0
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155490977
P22509
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7KNY_1_k12
2
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5232593
Q00511
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
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6END_2_k12
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679
P08246
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5BZE_3_k12
0
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753
F7J077
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdNdAqMwKwIeLkLaRaNfAaLfIeTfNfEdGlKdTtFfPtGwSmVwMiIdDgGfAqFfItSaRdIiIgEgGdEhLdPdAdDvDdNdLpSpAgDpEyVyIdEhChShGqLwRyLkFfPfGaCfIaDfDeQaVaHaFqRqEpPdGpLrTpHlKfAhThIlAqSlEqSlRlAlAqVlAqGqGrVhTaSeFyMeDhMePqNpThNvPvPgTqTaMaWpEvRsLqLvEvKvRqQvIvGcAqDvThAhWlAhNaYyGaFyFaFhGeGdTwNlDpNrIvDvErIlKqRvVdDpKlHqLrVhPlGwLyKeLaFeLcGdSpSdTdGd...
SNAMKILLRNALITNEGKTFPGSVMIDGAFISRIIEGELPADDNLSADEVIECSGLRLFPGCIDDQVHFREPGLTHKATIASESRAAVAGGVTSFMDMPNTNPPTTMWERLLEKRQIGADTAWANYGFFFGGTNDNIDEIKRVDKHLVPGLKLFLGSSTGNMLVDNKETLEKIFGECDLLIATHCEKEEIIRANKEHYKAKYGNDLDIHFHPLIRSEEACYRSSAEAVELAERMNARLHILHLSTEKELSLFRNDIPTAQKRITSEVCVHHLWFSDTDYGRLGNRIKWNPAIKKESDREALRAAVRNGRIDIIATDHAPH...
2GWN_2_k12
0
-2.6
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753
P06745
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdAfAdLlTvRvNdPpQlFnQvKvLlLqEvWcHlRvAvNpSlAvNvLqKaLlRvEvLvFcEvAvDdPvEcRlFqNvNqFqSwLaNwLdNdTlNvHvGwHtIkLiVwDgYqSsKlNaLsVdSdKpEvVsMlQvMsLlVlEvLlAlKvSvRlGpVvElAvAvRlDvNcMlFqSqGfSqKqIlNlYvTvEvDsRgArVaLpHlVvAlLlRlNvRpSvNlTdPfIrKdVdDpGrKdDgVcMnPvEvVsNvRvVlLlDvKlMlKqSvFvClQcRcVqRlSvGqDvWqKfGaYpTvGgKgShIaTqDeIeIeNeIfGeIeGdGlSl...
MAALTRNPQFQKLLEWHRANSANLKLRELFEADPERFNNFSLNLNTNHGHILVDYSKNLVSKEVMQMLVELAKSRGVEAARDNMFSGSKINYTEDRAVLHVALRNRSNTPIKVDGKDVMPEVNRVLDKMKSFCQRVRSGDWKGYTGKSITDIINIGIGGSDLGPLMVTEALKPYSKGGPRVWFVSNIDGTHIAKTLASLSPETSLFIIASKTFTTQETITNAETAKEWFLEAAKDPSAVAKHFVALSTNTAKVKEFGIDPQNMFEFWDWVGGRYSLWSAIGLSIALHVGFDHFEQLLSGAHWMDQHFLKTPLEKNAPVLL...
2CXO_2_k12
0
-3
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311
Q8BX80
[C@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
null
null
1HHC_4_k12
0
-3.9
[]
[]
[]
[]
[]
[]
[]