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
176
P00749
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4MNY_1_k12
0
-3.3
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s514
P11413
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][=Branch1][C][OH0][CH2][C@@][Branch2][Branch1][Branch2][CH1][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring2][=N][NH0][Branch1][C][H][CH2][CH2][CH0][Branch2][Ring2][C][NH0][Branch1][C][H][CH2][CH2][SH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH0][=CH1][CH0][Branch1][Rin...
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1SUS_2_k12
1
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753
O31533
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3C6F_1_k12
0
-3.5
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s33
Q7ATH7
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OCCN1CCN(CCS(O)(O)O)CC1
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MRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIR
4DE4_1_k12
2
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174
Q8T6T2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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AEPTPLDRVIPAPASVEPGGAPYRITRGTHIRVDDSREARRVGDYLADLLRPATGYRLPVTSHGHGGIRLRLAEGPYGDEGYRLDSGREGVTITARKAAGLFHGVQTLRQLLPAAVEKDSAQPGPWLVAGGTIEDTPRYAWRSAMLDVSRHFFSVDEVKRYIDRVALYKYNKLHLHISDDQGWRLAIDSWPRLATYGGSTEVGGGPGGHYTKADYEEIVRYAASRHLEVVPEIDMPGHTNAALASYAELNCDGVAPPLYTGTKVGFSTLCVDKDVTYDFVDDVLGELAALTPGRYLHIGGDEAHSTPQADFVAFMKRVQP...
4C7F_1_k12
0
-2.5
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s278
P9WLZ7
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CCN1C2=C(C=C(c3ccc(Cl)cc3Cl)C1O)CNC(Nc1ccc(N3C=CNCC3)c(F)c1)N2
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SHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNR
5VEE_1_k12
1
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s576
Q5R8B0
[CH0][Branch1][Ring1][OH0][CH3][=CH1][CH0][Branch2][Ring1][Branch2][CH0][=CH1][NH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH0][=CH1][NH0][Branch1][C][H][CH2][CH1][=CH0][Ring1][=N][Ring1][#Branch1][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH0][Ring2][Ring1][#Branch1][CH2][NH0][Branch1][C][CH3][CH3]
COc1cc(-c2cn(C)c(=O)c3c2=CCNC=3)cc(OC)c1CN(C)C
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EQTPLQEALNQLMRQLQRKDPSAFFSFPVTDFIAPGYSMIIKHPMDFSTMKEKIKNNDYQSIEELKDNFKLMCTNAMIYNKPETIYYKAAKKLLHSGMKILSQERIQSLKQSIDFMADL
6V1E_1_k12
1
-7.8
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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s622
P00734
[OH0][=CH0][CH0][Branch1][=N][CH0][=Branch1][C][=OH0][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][=CH0][Branch1][Ring1][OH0][H][C@@][Branch1][C][CH3][Branch1][Branch2][CH1][=CH0][Branch1][C][CH3][CH1][=CH2][SH0][Ring2][Ring1][Ring1]
C=CC(C)=C[C@@]1(C)SC(=O)C(C(=O)C(F)(F)F)=C1O
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QPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAE...
4C73_3_k12
1
-8.4
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s738
P00338
[CH0][Branch2][Ring1][Branch2][CH2][CH0][=CH1][CH1][=CH0][Branch1][=N][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][N][=CH0][Branch1][#C][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH0][Branch1][C][FH0][=CH1][Ring1][Branch2][NH0][Branch1][C][H][NH0][Branch2][Ring1][Ring1][C@H1][NH0][Br...
NS(=O)(=O)c1ccc(CC2=C(c3ccc(F)c(F)c3)NN([C@H]3NC(C(=O)O)=CS3)C2O)cc1
AdTdLpKcDvQvLvIdYdNdLdLdKdEdQdTdPfQdNqKeIeTeVeVeGaVpGdAqVaGsMvAlClAvIvSlIlLfMvKvDqLrAgDlEeLyAeLyVeDyVpIpEvDvKvLfKvGvEsMqMvDvLvQvHvGcSvLvFvLtRdTrPpKyIyVySyGdKnDqYlNvVvTvAaNpShKqLeVyIeIyTaAhGaApRvLlNvLrVvQlRrNrVlNvIvFlKlFpIpIlPvNrVnVcKvYrShPvNqChKaLyLeIyVeSyNpPpVqDfIlLvTlYlVsAsWcKvInSsGvFdPdKqNqRrVrIwGySlGaCcNlLlDlSqAlRl...
ATLKDQLIYNLLKEQTPQNKITVVGVGAVGMACAISILMKDLADELALVDVIEDKLKGEMMDLQHGSLFLRTPKIVSGKDYNVTANSKLVIITAGARLNLVQRNVNIFKFIIPNVVKYSPNCKLLIVSNPVDILTYVAWKISGFPKNRVIGSGCNLDSARFRYLMGERLGVHPLSCHGWVLGEHGDSSVPVWSGMNVAGVSLKTLHPDLGTDKDKEQWKEVHKQVVESAYEVIKLKGYTSWAIGLSVADLAESIMKNLRRVHPVSTMIKGLYGIKDDVFLSVPCILGQNGISDLVKVTLTSEEEARLKKSADTLWGIQKE...
5W8K_2_k12
1
-8.3
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753
P81171
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdKaLeSeLeMeVaAeIaSeKpNvGqVdIqGaNaGqPlDdIrPfWdSdAwKpGpEpQvLvLvFvKcAvIvTqYaNqQeWeLeLeVeGeRpKsTpFcEvSsMvGpAdLdPpNrRyKaYyAeVyVeTdRcSdSpFdTdSdDpNdEpNrVyLdIyFdPnSdIpKvDvAsLvTvNvLvKvKvIpTdDdHyVyIyVySyGdGdGqEvIsYqKvSvLpIlDvQpVhDfTkLyHkIySkTyIwDhIdEdPdEdGhDdVrYgFhPdEdIhPdSvNqFkRdPwVdFdTkQdDwFdAdStNvIiNtYiSmYiQtImWiQgKgGd
MKLSLMVAISKNGVIGNGPDIPWSAKGEQLLFKAITYNQWLLVGRKTFESMGALPNRKYAVVTRSSFTSDNENVLIFPSIKDALTNLKKITDHVIVSGGGEIYKSLIDQVDTLHISTIDIEPEGDVYFPEIPSNFRPVFTQDFASNINYSYQIWQKG
5ECC_3_k12
0
-3.6
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753
P83686
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdTaPfAaIeTqLqEpNdPqDpIdKwYdPwLwRfLwIaDdKwEdVcVpNdHdDfTkRiRkFtRkFtAwLgPpSaPqErHyIfLhGpLaPfVqGlQwHwIkYwLwSwAdRqIfDvGnNrLiVdIiRdPtYfThPfVpSdSdDrDvDgKgGtFiVtDiLgVmIdKgVfYfFpKaDpTdHdPpKvFhPnArGtGdKgMvSrQvYvLvEvSpMdKdIgGgDgTiIiEiFmRgGdPgNdGdLqLwVgYdQpGaKlGqKkFiAfIgRaPpDdKdKvSgSgPtVdIiKdTgVaKqSeVeGeMeIeAeGeGqTrGrIcTrPsMvLsQs...
STPAITLENPDIKYPLRLIDKEVVNHDTRRFRFALPSPEHILGLPVGQHIYLSARIDGNLVIRPYTPVSSDDDKGFVDLVIKVYFKDTHPKFPAGGKMSQYLESMKIGDTIEFRGPNGLLVYQGKGKFAIRPDKKSSPVIKTVKSVGMIAGGTGITPMLQVIRAIMKDPDDHTVCHLLFANQTEKDILLRPELEELRNEHSARFKLWYTVDRAPEAWDYSQGFVNEEMIRDHLPPPEEEPLVLMCGPPPMIQYACLPNLERVGHPKERCFAF
5GV8_1_k12
0
-2.8
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90655273
Q38946
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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62551
Q9ZAE8
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OCCOCCOCCOCCOCCO
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P24941
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O57978
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445395
P16099
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2TMD_1_k12
1
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8200
P34917
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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3F92_1_k12
0
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753
O34925
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3H5B_2_k12
0
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s33
P49001
[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](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
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5SCN_2_k12
1
-11.9
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445395
Q6DTN4
[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][OH1][=Branch1][C][=OH0][OH0][H][OH0][H][OH0][H][OH0][H][CH0][=CH1][CH0][Bran...
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
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MKRLTYISKFSRPLSGDEIEAIGRISSQKNQQANVTGVLLCLDGIFFQILEGEAEKIDRIYERILADERHTDILCLKSEVEVQERMFPDWSMQTINLDENTDFLIRPIKVLLQTLTESHRILEKYTQPSIFKIISQGTNPLNIRPKAVEKIVFFSDIVSFSTFAEKLPVEEVVSVVNSYFSVCTAIITRQGGEVTKFIGDCVMAYFDGDCADQAIQASLDILMELEILRNSAPEGSPLRVLYSGIGLAKGKVIEGNIGSELKRDYTILGDAVNVAARLEALTRQLSQALVFSSEVKNSATKSWNFIWLTDSELKGKSESI...
8QFG_1_k12
1
-9.1
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78225628
Q58018
[CH2][Branch1][=N][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCNC1CCCCC1
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LMNIKDIKLNADETKTTKAILKASFDMWLDIVEADVVIVGAGPSGLTCARYLAKEGFKVVVLERHLAFGGGTWGGGMGFPYIVVEEPADELLREVGIKLIDMGDGYYVADSVEVPAKLAVAAMDAGAKILTGIVVEDLILREDGVAGVVINSYAIERAGLHIDPLTIRSKVVVDATGHEASIVNILVKKNKLEADVPGEKSMWAEKGENALLRNTREVYPNLFVCGMAANASHGGYRMGAIFGGMYLSGKLCAELITEKLKN
4Y4M_1_k12
0
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s428
P0AD64
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1Q2P_2_k12
2
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137285
Q9I929
[CH2][Branch1][=Branch1][CH2][CH1][=CH1][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
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6RZ5_1_k12
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5288834
P26394
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@H1][Branch1][C][CH3][OH0][H]
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1WUI_1_k12
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753
P45568
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5ON5_1_k12
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174
P49189
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6QAK_1_k12
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s730
P22972
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CSc1ccc(CNC(=O)[C@H]2CCCN(C3NCNC4NN(c5ccc(C)cc5)C=C43)C2)cc1
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8DSD_2_k12
1
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s630
O60885
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O=C(CN1CCN(C2=CC(NC3NC=C(C4=CNCC=C4)S3)NC=C2)CC1)N1CCOCC1
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3TKH_1_k12
1
-9.4
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445184
P24941
[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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TEDCRKSTYPPSGPTYRGAVPWYTINLDLPPYKRWHELMLDKAPMLKVIVNSLKNMINTFVPSGKVMQVVDEKLPGLLGNFPGPFEEEMKGIAAVTDIPLGEIISFNIFYELFCTSIVAEDKKGHLIHGRNMDFGVFLGWNINNDTWVITEQLKPLTVNLDFQRNNKTVFKASSFAGYVGMLTGFKPGLFSLTLNERFSINGGYLGILEWILGKKDAMWIGFLTRTVLENSTSYEEAKNLLTKTKILAPAYFILGGNQSGEGCVITRDRKESLDVYELDAKQGRWYVVQTNYDRWKHPFFLDDRRTPAKMCLNRTSQENI...
5U7Z_1_k12
0
-3.4
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445184
C0HJX1
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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5EYY_2_k12
2
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52946595
P14658
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CN1CCN(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCc2ccccc2)CCS(=O)(=O)c2ccccc2)CC1
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2P7U_1_k12
2
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s982
P0A2K1
[C@H1][Branch2][Ring1][=N][NH0][Branch2][Ring1][Branch2][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][H][Branch2][Ring2][Branch1][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH0][Branch2][Ring1][Ring1][NH0][Branch1]...
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCC(=O)NCCCCCCc1ccccc1
NdYwTwFkRkCkLkQkMkSkSwFdAaNaRlSpWdSiRwTiDwSiVwViWdLiGhDlLdQtTqHwRtWdSgNrDvSdAlTfIiSdFgTpKdPpWcSsQqGfKpLdSdNpQvQrWvEvKvLvQrHvMvFvQsVvYvRvVvSvFvTsRvDlIvQsEvLvVqKvMvMpSpPpKpEdDgYdPgIkEmIkQmLwSiAwGaCwEdMdYdPpGdNlAdSiEaStFwLiHwVmAdFiQpGpKhYtVfVwRiFqWdGdTqSaWiQdTgVdPpGpAhPdSpWvLcDvLvPvIrKvVvLrNsAvDpQnGvTvSsAvTvVvQcMcLvLgNpDp...
NYTFRCLQMSSFANRSWSRTDSVVWLGDLQTHRWSNDSATISFTKPWSQGKLSNQQWEKLQHMFQVYRVSFTRDIQELVKMMSPKEDYPIEIQLSAGCEMYPGNASESFLHVAFQGKYVVRFWGTSWQTVPGAPSWLDLPIKVLNADQGTSATVQMLLNDTCPLFVRGLLEAGKSDLEKQEKPVAWLSSVRQLVCHVSGFYPKPVWVMWMRGDQEQQGTHRGDFLPNADETWYLQATLDVEAGEEAGLACRVKHSSLGGQDIILYWTQVEQSPQSLVVRQGENCVLQCNYSVTPDNHLRWFKQDTGKGLVSLTVLVDQKD...
6CXA_1_k12
1
-9.8
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3776
Q92630
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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FTTPVVTEMQVIPVAGHDSMLMNLSGAHAPFFTRNIVIIKDNSGHTGVGEIPGGEKIRKTLEDAIPLVVGKTLGEYKNVLTLVRNTFADRDAGGRGLQTFDLRTTIHVVTGIEAAMLDLLGQHLGVNVASLLGDGQQRSEVEMLGYLFFVGNRKATPLPYQSQPDDSCDWYRLRHEEAMTPDAVVRLAEAAYEKYGFNDFKLKGGVLAGEEEAESIVALAQRFPQARITLDPNGAWSLNEAIKIGKYLKGSLAYAEDPCGAEQGFSGREVMAEFRRATGLPTATNMIATDWRQMGHTLSLQSVDIPLADPHFWTMQGSVR...
1JCT_1_k12
0
-2.6
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8064
Q5HQB9
[CH2][Branch1][Ring2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCCCO
SdSpLfPaKaYdTdPfKpVdNdSdSpIlNvNvYvIcRlKvKvNlMdKdAaPdRdIeEaEeDdYeTdSpYpFqPdKfYaGaYaRpNvGgVqGqRaPaEfGaIaVeVeHfDeTdApNdDqNdSdTdIpDvGrEvIvAvFvMcKvRvNvYqTvNqAfFdVaHqAwFeVfDwGlNhRhIiIyEgTyAdPdTqDsYgLfStWgGdAqGaPdYnGnNrQnRhFyIhNyVyEyIyVyHhTdHdDdYsDnSrFvAsRsSsMlNlNnYvAlDlYvArAlTvQvLcQvYvYsNvLfKaPaDdSeAcEqNpDpGnRdGgThVyWyTyHsAc...
SSLPKYTPKVNSSINNYIRKKNMKAPRIEEDYTSYFPKYGYRNGVGRPEGIVVHDTANDNSTIDGEIAFMKRNYTNAFVHAFVDGNRIIETAPTDYLSWGAGPYGNQRFINVEIVHTHDYDSFARSMNNYADYAATQLQYYNLKPDSAENDGRGTVWTHAAISNFLGGTDHADPHQYLRSHNYSYAELYDLIYEKYLIKTKQVAPWG
3LAT_2_k12
0
-3.3
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440552
P19821
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5YMS_2_k12
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444205
Q05769
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7JPD_1_k12
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s37
Q4WL81
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OCCN1CCN(CCS(O)(O)O)CC1
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1GYX_2_k12
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176
P30268
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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4LWS_1_k12
0
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444205
P47811
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4ZMJ_1_k12
0
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s835
Q9H9B1
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3MO0_2_k12
2
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753
Q4H4E7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MRLLVGNDWSEELAEPTGSTGWAVQRLVWFARDGDVLVLPVAPQEEFLAYVTSLTGTRRSSLTVVVPPPGRLGAGALTADRLADPRFLAALREAFAGRPVHEVFALWPDAVVADLADALGCPEALEGHDFLTQSGGLIGSSKAAFRALAAGAGVALPAGAVCADRRRAHRHVTRLLDEGSPVILKQDYGSGSDGNEILSRTPGLALRGARALRVLADSAALDAYLDERWDWLTEGGRHRVVVERYHPGSRAYFAEFWISDGGVRLGGHGEMRYRPLPDSQVMPAPDLDQAQLDDLVEGGRRLCVALHALGYRGVLSADAV...
3WVR_2_k12
0
-4
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6999803
P32558
[CH2][Branch1][=Branch2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H]
CCCC(=O)OC[C@H](O)CO
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WAVGRLLLAVAAVLTQVVWLWLGTQSFVFQREEIAQLARQYAGLDHELAFSRLIVELRRLHPGHVLPDEELQWVFVNAGGWMGAMCLLHASLSEYVLLFGTALGSRGHSGRYWAEISDTIISGTFHQWREGTTKSEVFYPGETVVHGPGEATAVEWGPNTWMVEYGRGVIPSTLAFALADTVFSTQDFLTLFYTLRSYARGLRLELTTYLFG
5HK2_1_k12
0
-4.4
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90655273
P08988
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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QETQGQAAARAAAADLAAGQDDEPRILEAPAPDARRVYVNDPAHFAAVTQQFVIDGEAGRVIGMIDGGFLPNPVVADDGSFIAHASTVFSRIARGERTDYVEVFDPVTLLPTADIELPDAPRFLVGTYPWMTSLTPDGKTLLFYQFSPAPAVGVVDLEGKAFKRMLDVPDCYHIFPTAPDTFFMHCRDGSLAKVAFGTEGTPEITHTEVFHPEDEFLINHPAYSQKAGRLVWPTYTGKIHQIDLSSGDAKFLPAVEALTEAERADGWRPGGWQQVAYHRALDRIYLLVDQRDEWRHKTASRFVVVLDAKTGERLAKFEMG...
4FB1_1_k12
0
-3
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6912
P26369
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7WJ9_2_k12
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P38683
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5LI9_5_k12
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6503
214351
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4XOT_6_k12
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s170
Q6NSJ0
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CC(C)=CCCC(C)=CCCC(C)=CCOC[C@H](O)CO
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7CC3_2_k12
1
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679
P41182
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6TOL_3_k12
0
-1.6
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2776182
P00720
[CH0][Branch1][Ring2][CH2][OH0][H][=CH0][OH0][CH2][CH2][OH0][CH0][Ring1][=Branch1][=CH1][CH1][=CH1][Ring1][=N]
OCc1cccc2c1OCCO2
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7H96_2_k12
2
-5.4
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311
Q1LW01
[C@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
VdRaYdRdFdLfRqLkAdPfDpEvRaAkEdSkRdIwLdEdCkRdRkLwRqAdPdApEvIrAcRvAlLqEvLhRpAgGrEqTiVkViTwItRwRmQwLiSdMhNpHpMaPtTwVkIiDkDiLkWiLfPgGcTvHqFvRvGvLdTdLpEcLcLvTvAvSdKpAgPdLvYqGvLcFcEcSpEvFrGvVfShMfVdRdAkDdEkKdLkRdAwVdAfAaSdPpEvIcAqPvLvLrGvVhEdPgGgRdPiLwLiQwViDwRmIfStYdTgYpGpDrRgPtMgEmVtRmRiGmLtYgLdTpDpHgYiHdYgRdNdSdLdNd
VRYRFLRLAPDERAESRILECRRLRAPAEIARALELRAGETVVTIRRQLSMNHMPTVIDDLWLPGTHFRGLTLELLTASKAPLYGLFESEFGVSMVRADEKLRAVAASPEIAPLLGVEPGRPLLQVDRISYTYGDRPMEVRRGLYLTDHYHYRNSLN
3CNV_1_k12
2
-6.8
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[0,0,1,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
444205
P60016
[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
TdLaGaNaTdTkSfSkVfIfLwTdNaYdMqDlTqQdYiYwGgEwIkGfIwGaTvPvPtQdTiFwKtVaVfFaDkTqGqSaSfNaVwWeVfPaSaSpKlCaSpRvLvYqTvAlCnVvYvHgKrLhFdDyApSvDvShSpSfYkKdHdNdGfTqEkLwTwLdRdYdSlTqGgTiVwSiGaFgLkSiQwDtIwImTdVdGrGnIdTiVfTiQfMiFhGgEhVtTrEdMdPhAcLgPvFsMvLvAdEpFtDgGiVyVqGhMpGfFqIlElQrAhItGvRsVgThPgIvFlDvNrIvIvSvQvGnVhLaKnEaDsVkFkSwFwYa...
TLGNTTSSVILTNYMDTQYYGEIGIGTPPQTFKVVFDTGSSNVWVPSSKCSRLYTACVYHKLFDASDSSSYKHNGTELTLRYSTGTVSGFLSQDIITVGGITVTQMFGEVTEMPALPFMLAEFDGVVGMGFIEQAIGRVTPIFDNIISQGVLKEDVFSFYYNRDSQSLGGQIVLGGSDPQHYEGNFHYINLIKTGVWQIQMKGVSVGSSTLLCEDGCLALVDTGASYISGSTSSIEKLMEALGAKKRLFDYVVKCNEGPTLPDISFHLGGKEYTLTSADYVFQESYSSKKLCTLAIHAMDIPPPTGPTWALGATFIRKFY...
4RYC_1_k12
0
-4.2
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s594
P28523
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch1][Ring1][OH0][H][CH0][=CH0][Ring1][=N][NH0][Branch1][C][H][CH2][C@H1][Branch1][N][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][H][NH0][Ring1][=C][H]
C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(O)NC(N)N2
QdYwVdRwIaKdNdWvGlSvGrEdIiLdHtDdTpLpHcHvKvApTdSvCdLpGaSdIgMpNaPdKpSvLqTaRdGePfRfDqKfPfTdPdLcEvEpLqLlPvHlAqIlEvFlIlNvQvYvYqGvSpFdKpEdAhKdIpEvEvHsLvAvRvLnEvAvVqTvKvEvIcEvTvTvGvTdYdQdLdTdLvDvEsLvIlFvAqTqKlMvAqHlRlNaAaPqRqCdIlGpRnIlQcWrSnNfLeQaVeFaDeAqRlNvCpSfTdAvQvEsMvFvQvHvIvClRvHvIlLqYvAqTpNvNqGqNaIgRgSkAyIkTyVfFyPhQwRd...
QYVRIKNWGSGEILHDTLHHKATSCLGSIMNPKSLTRGPRDKPTPLEELLPHAIEFINQYYGSFKEAKIEEHLARLEAVTKEIETTGTYQLTLDELIFATKMAHRNAPRCIGRIQWSNLQVFDARNCSTAQEMFQHICRHILYATNNGNIRSAITVFPQRSDGKHDFRLWNSQLIRYAGYQMPDGTIRGDAATLEFTQLCIDLGWKPRYGRFDVLPLVLQADGQDPEVFEIPPDLVLEVTMEHPKYEWFQELGLKWYALPAVANMLLEVGGLEFPACPFNGWYMGTEIGVRDFCDTQRYNILEEVGRRMGLETHTLASLW...
3DWJ_1_k12
2
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447053
Q14126
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60167567
F8G0P1
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3ZXG_1_k12
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8200
Q8I5R7
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
GdGcTvGqVaTfLkFkVfAfLqYaDfYdEdAdIdTdEpDqDaLdSgFdHhKgGgEwKmFwQrIfLdNaSdSpEpGpDqWwWtEwAiRaStLpTvTpGrEdTtGhYiIyPrSvNvYrViAdPtVpDd
GGTGVTLFVALYDYEAITEDDLSFHKGEKFQILNSSEGDWWEARSLTTGETGYIPSNYVAPVD
3H0H_1_k12
0
-3
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62551
P09386
[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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GPAEAGITGTWSDQLGDTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNSKNAHSATTWSGQYVGGADAKINTQWLLTSGTTNANAWKSTLVGHDTFTKVKPSA
3WZO_1_k12
0
-4.1
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753
Q9I685
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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STGQHPARYPGAAAGEPTLDSWQEPPHNRWAFAHLGEMVPSAAVSRRPGHALARLGAIAAQLPDLEQRLEQTYTDAFLVLRGTEVVAEYYRAGFAPDDRHLLMAVSKSLCGTVVGALVDEGRIDPAQPVTEYVPELAGSVYDGPSVLQVLDMQISIDYNESEVQTHDRSAGWRTRRHGDPADTYEFLTTLRGDGSTGEFQYCSANTDVLAWIVERVTGLRYVEALSTYLWAKLDADRDATITVDTTGFGFANGGVSCTARDLARVGRMMLDGGVAPGGRVVSEDWVRRVLAGGSHEAMTDKGFTNTFPDGSYTRQWWCTG...
3A66_1_k12
0
-3.8
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174
P36897
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GGTIARTIVLQESIGKGRFGEVWRGKWRGEEVAVKIFSSREERSWFREAEIYQTVMLRHENILGFIAADNKDNGTWTQLWLVSDYHEHGSLFDYLNRYTVTVEGMIKLALSTASGLAHLHMEIVGTQGKPAIAHRDLKSKNILVKKNGTCCIADLGLAVRHDSATDTIDIAPNHRVGTKRYMAPEVLDDSINMKHFESFKRADIYAMGLVFWEIARRCSIGGIHEDYQLPYYDLVPSDPSVEEMRKVVCEQKLRPNIPNRWQSCEALRVMAKIMRECWYANGAARLTALRIKKTLSQLS
2WOU_2_k12
0
-2
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P9WNX1
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3CHB_2_k12
0
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6503
Q5JD38
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NC(CO)(CO)CO
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6EMT_3_k12
0
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753
P23819
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4O3C_2_k12
0
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702
P00442
[CH2][Branch1][C][CH3][OH0][H]
CCO
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1Q0E_1_k12
0
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753
P47895
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQICEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETMDTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPWNFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTVGAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVECAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAK...
7QK7_2_k12
0
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s990
P0DUD9
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CCCCCCCCCC1Nc2cc(Cl)ccc2C(=O)N1N
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4JVI_1_k12
1
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5564
P45481
[ClH0][CH0][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][=C][OH0][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH0][Ring1][#Branch1][ClH0][CH1][=CH1][Ring1][P]
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl
NdKaCaAeLeVeTeGpScSlRdGfVlGsKlAvAlAqIqRvLvAlElNvGpYhNaIyVeIyNeYdAaRpSpKvKvAsAsLvEvTsAqEvEvIsEvKvLsGpVhKhVyLhVyVaKyAaNqVlGlQdPlAvKsIlKvEvMvFlQvQvIvDcEvTpFpGvRaLhDaVeFyVeNaNeAdAfSdGaVdLqRaPaVvMvEvLdEdEvTvHrWlDsWsTgMlNsIrNqAaKvAsLcLvFsCnAvQvEsAnAlKvLrMqElKvNpGqGeGhHeIyVeSyIeSaSaLpGlSlIpRdYpLdEhNsYcTvTsVnGnVvSsKrAvAnLnElAv...
NKCALVTGSSRGVGKAAAIRLAENGYNIVINYARSKKAALETAEEIEKLGVKVLVVKANVGQPAKIKEMFQQIDETFGRLDVFVNNAASGVLRPVMELEETHWDWTMNINAKALLFCAQEAAKLMEKNGGGHIVSISSLGSIRYLENYTTVGVSKAALEALTRYLAVELSPKQIIVNAVSGGAIDTDALKHFPNREDLLEDARQNTPAGRMVEIKDMVDTVEFLVSSKADMIRGQTIIVDGGRSLLVL
3OID_2_k12
1
-7.2
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753
P39051
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdPdQdFdPpGpAdSdAdEdFdIdDpKdLdEdFdIdQdPfNdVaIvSpGfIfPdIaYaRfVqMaDdRlQlGlQhIgIdNdPvSvElDfPpHpLdPdKlEvKlVlLvKlLlYlKlSlMlTvLlLlNvTlMlDqRvIvLvYlEvScQcRvQvGvRnIfSvFwYwMfThNqYfGwEqEsGlTlHqVsGlSlAlAvAlLfDdNqTqDaLaVeFeGeQaYqRnErAcGsVsLvMsYsRvDvYpPaLlElLaFlMlAcQqCrYnGlNfIpSvDhLpGvKqGvRpQdMhPhVsHqYdGdCdKvEvRrHnFyVhTgIhSdSnPpLaAl...
KPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPKEKVLKLYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDNTDLVFGQYREAGVLMYRDYPLELFMAQCYGNISDLGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRWDKQDHPISRLRHYLLSQGWWDEE...
1WCI_1_k12
0
-3.5
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753
P00374
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
2C2S_3_k12
0
-3.3
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8117
P04397
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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MYKGIVCPMITPLDAHGNIDYNATNILIKYLEGINVDYLFPMGSTGVFPYFTLKERKDFLKFVRENSKKPIMAGVGSSSINEVNELMKFSMDIGIEAAVLMPPYYIKLNQEAIYHYYKEILSSNDMDLLIYNIPQFTNKIDPETVKNLKSEFSSVKGVKDSSADIRGFMEMLSLSDDDFAVFQGQDDLLFTSLELGASGGVCGTTNFSDGIVRLYHEYKNNREMALKIEKNDVIPLMKKLGKYQFPNAYYEYFYKKNNINGGYRPPMYRVGIEIMYKGIVCPMITPLDAHGNIDYNATNILIKYLEGINVDYLFPMGSTG...
4UXD_2_k12
0
-3.1
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s45
F1M391
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CN(C)CC1=CSC(N)N1
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5S6Z_1_k12
0
-3.9
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5WJD_2_k12
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10400177
Q3YV47
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5W1Y_1_k12
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P11838
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5N1S_1_k12
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753
P13922
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8DG2_2_k12
0
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753
Q9HZ76
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GAMWHTHSEREKRVSNAVEFLLDSRVRRTPTSSKVHFLKSKGLSAEEICEAFTKVGQPKTLNEIKRILS
6S6R_3_k12
0
-2.7
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90655273
O95819
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OS(O)(O)CCN1CCOCC1
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SSLRDPAGIFELVEVVGNGTYGQVYKGRHVKTGQLAAIKVMDVTEDEEEEIKLEINMLKKYSHHRNIATYYGAFIKKSPPGHDDQLWLVMEFCGAGSITDLVKNTKGNTLKEDWIAYISREILRGLAHLHIHHVIHRDIKGQNVLLTENAEVKLVDFGTFIGTPYWMAPEVIACDENPDATYDYRSDLWSCGITAIEMAEGAPPLCDMHPMRALFLIPRNPPPRLKSKKWSKKFFSFIEGCLVKNYMQRPSTEQLLKHPFIRDQPNERQVRIQLKDHIDRTR
4U42_2_k12
0
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s862
B1Q2B6
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HLRAEGPASVLAIGTANPENILLQDEFPDYYFRVTKSEHMTQLKEKFRKICDKSMIRKRNCFLNEEHLKQNPRLVEHEMQTLDARQDMLVVEVPKLGKDACAKAIKEWGQPKSKITHLIFTSASTTDMPGADYHCAKLLGLSPSVKRVMMYQLGAYGGGTVLRIAKDIAENNKGARVLAVCCDIMACGFRGPSESDLELLVGQAIFGDGAAAVIVGAEPDESVGERPIFELVSTGQTILPNSEGTIGGHIREAGLIFDLHKDVPMLISNNIEKCLIEAFTPIGISDWNSIFWITHPGGKAILDKVEEKLHLKSDKFVDSR...
7W6G_3_k12
1
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s711
O60885
[CH2][CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][OH0][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Branch2][Ring1][Branch1][CH0][Branch1][P][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch1][Ring1][CH2][CH3][=CH1][CH1][=CH1][Ring1][Branch2][=OH0][CH1][=CH0][Ring2][Ring1][O][Ring2][Ring1][Branch1]
CCc1cccc(NC(=O)C2=C(N)OC3=C(O)C=CCC3=C2)c1
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HQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYS
7C7H_2_k12
1
-10.3
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753
Q99835
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6TBX_4_k12
0
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1567
P29597
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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3PCB_2_k12
0
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s198
P11274
[C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][O][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][C@H1][Branch1][N][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][C@H1][Ring2][Ring1][=Branch2][OH0][H]
O=P(O)(O)O[C@@H]1[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)[C@H]1OP(=O)(O)O
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5OC7_1_k12
0
-4.4
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753
Q9X2N2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4UGD_3_k12
0
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EDLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCTCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHLTGQPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRA...
7BNC_2_k12
0
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753
Q9GZ28
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5OV7_2_k12
0
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2776182
Q9I685
[CH0][Branch1][Ring2][CH2][OH0][H][=CH1][CH1][=CH1][CH0][=CH0][Ring1][=Branch2][OH0][CH2][CH2][OH0][Ring1][=Branch1]
OCc1cccc2c1OCCO2
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3VQP_1_k12
2
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269450
A5F6B5
[CH2][Branch1][=Branch2][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][CH2][CH2][CH2][CH2][OH0][H]
OCCCCCC1CCCCC1
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GKLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVMLCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRFSVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITANIICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKHFPGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPRDLIDTYLLHMEKEKSAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYREIEQVIGPHRPPELHDRAKMPY...
5WBG_3_k12
2
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6102353
Q7MN61
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][=C]
O[C@@H]1[C@H](O)[C@H](O)CO[C@@H]1O
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1DBP_1_k12
1
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174
O57947
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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RAGRTRSIGLVIPDLENTSYTRIANYLERQARQRGYQLLIACSEDQPDNEMRCIEHLLQRQVDAIIVSTSLPPEHPFYQRWANDPFPIVALDRALDREHFTSVVGADQDDAEMLAEELRKFPAETVLYLGALPELSVSFLREQGFRTAWKDDPREVHFLYANSYEREAAAQLFEKWLETHPMPQALFTTSFALLQGVMDVTLRRDGKLPSDLAIATFGDNELLDFLQCPVLAVAQRHRDVAERVLEIVLASLDEPRKPKPGLTRIKRNLYRRGVLSR
7DOB_1_k12
0
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s11
Q9X0Z6
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C[C@H](CCC(=O)NCCC[N+](C)(C)CCCS(O)(O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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5FEP_1_k12
2
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79718
P31013
[CH2][Branch1][N][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCO
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2VLH_4_k12
0
-3.1
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174
A0QI26
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3S82_2_k12
0
-2.5
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174
Q14160
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GSVEEIRLPRAGGPLGLSIVGGSDHQEPGVFISKVLPRGLAARSGLRVGDRILAVNGQDVRDATHQEAVSALLRLELSLLVRRD
6XA6_1_k12
0
-2.1
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