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
679
P15289
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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KIPRGNGPYSVGCTDLMFDHTNKGTFLRLYYPSQDNDRLDTLWIPNKEYFWGLSKFLGTHWLMGNILRLLFGSMTTPANWNSPLRPGEKYPLVVFSHGLGAFRTLYSAIGIDLASHGFIVAAVEHRDRSASATYYFKDQSAAEIGDKSWLYLRTLKQEEETHIRNEQVRQRAKECSQALSLILDIDHGKPVKNALDLKFDMEQLKDSIDREKIAVIGHSFGGATVIQTLSEDQRFRCGIALDAWMFPLGDEVYSRIPQPLFFINSEYFQYPANIIKMKKCYSPDKERKMITIRGSVHQNFADFTFATGKIIGHMLKLKGD...
5JAL_1_k12
0
-2.2
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478951
Q23760
[CH0][=Branch1][C][=OH0][OH0][C@H1][Branch2][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][C@H1][CH2][C@@H1][Branch1][Ring1][OH0][CH3][C@H1][Branch1][Ring1][OH0][H][CH2][CH2][Ring1][#Branch2][CH2][CH0][=Branch1][C][=OH0][C@H1][Branch1][C][CH3][CH1][=CH0][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ri...
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)C=C(C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)C=CC=CC=C1C
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4DRI_1_k12
1
-18.7
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174
P00523
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4CH4_1_k12
0
-2.7
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573
Q8DIF8
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4UB8_5_k12
1
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753
O34453
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7RRG_1_k12
0
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445184
P01857
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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5YC5_4_k12
0
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s133
P00489
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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7AGZ_2_k12
2
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753
Q8N884
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7E9W_1_k12
0
-3.5
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753
P63018
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8BZP_5_k12
0
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s566
P31224
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OS(O)(O)CCNc1ccccc1
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5P99_1_k12
0
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s623
P9WN47
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5UGG_1_k12
1
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440641
P65695
[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][=OH0][Branch1][C][OH1][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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MKKIAVLTSGGDSPGMNAAVRAVVRTAIYNEIEVYGVYHGYQGLLNDDIHKLELGSVGDTIQRGGTFLYSARCPEFKEQEVRKVAIENLRKRGIEGLVVIGGDGSYRGAQRISEECKEIQTIGIPGTIDNDINGTDFTIGFDTALNTIIGLVDKIRDTASSHARTFIIEAMGRDCGDLALWAGLSVGAETIVVPEVKTDIKEIADKIEQGIKRGKKHSIVLVAEGCMTAQDCQKELSQYINVDNRVSVLGHVQRGGSPTGADRVLASRLGGYAVDLLMQGETAKGVGIKNNKIVATSFDEIFDKFDYSLYELANKLSILE...
5XZ7_2_k12
2
-6.3
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2093
O32164
[CH1][=Branch1][#C][=CH1][CH0][=Branch1][#Branch2][=CH1][CH1][=CH1][CH0][=Branch1][Ring1][=CH1][CH3][CH3][CH3][CH0][=CH0][Branch1][C][CH3][CH2][CH2][CH2][C@@][Ring1][#Branch1][Branch1][C][CH3][CH3]
CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
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MIQTPLLIGFIVMALASLAIYIKGAHYGPLLGHTLIHAAVPFIAATAYLCMYLGVGNLIKVDGSVTYLARYVDWAFTTPLLLAGVVSSAYYGTRDLYGKSGYITAIVTLDVIMIVTGLIASLAPYGVIKWVFFAWSCAAFAGVLYLLWKPVASIASQQPGVSPAYRRNVGFLTVLWLIYPVVFAVGPEGFWAVSDATTVWVFLVLDVLAKVVYAFTSERNLRAVPV
7W74_3_k12
1
-11.1
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53932567
P02945
[C@H1][Branch2][Ring1][#C][CH2][OH0][CH2][CH2][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][Branch2][Ring1][=C][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][C...
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
IdTvGvRdPvElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKvGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAvFnTvMlYsLvScMvLnLvGpYnGqLwTdMfVaPaFaGpGnEdQtNfPiIdYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLvLlVlDvAhDdQpGvTlIsLcAlLlVnGvAlDsGnIlMlIsGvTlGqLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFpFvGpFrTlSvKsAlEvSvMd...
ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GA2_1_k12
0
-4.8
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753
O60547
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdHaMdPqPdNdRaPpGqIdTdFpEdIaGqAdRwLwEwAfLqDdYpLvQrKdWtYfPiSwRgIfEhKdIaDdYrEvEqGqKwMtLfViHgFgEpRpWdSdHsRvYpDtEdWiIgYrWrDpSdNpRrLtRhPhLdEdRd
SHMPPNRPGITFEIGARLEALDYLQKWYPSRIEKIDYEEGKMLVHFERWSHRYDEWIYWDSNRLRPLER
6L0X_2_k12
0
-2.7
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753
Q8IWT1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdLdEdVdSdVpGdKqAeTeDeIdYeAaVaNaGqTfEkIdLkLaPwCdTaFdSdSdCpFdGkFdEaDwLkHkFkRwWkTwYwNdSdSpDpAdFiKdItLaIwEiGfTtVdKgNiEdKvSgDpPtKdVtTdLdKgDdDdDvRlIwTdLaVdNvNtIrSiIiVmLrRgDrLdEdFqSvDsTfGgKkYmTwCmHdVmKpNcQpHdHiAgTiIyFgLyQgVhVd
SLEVSVGKATDIYAVNGTEILLPCTFSSCFGFEDLHFRWTYNSSDAFKILIEGTVKNEKSDPKVTLKDDDRITLVNNISIVLRDLEFSDTGKYTCHVKNQHHATIFLQVV
5XAW_3_k12
0
-2.6
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s779
P63481
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH1][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring1][P]
CC1NC=C(COP(=O)(O)O)C(C)C1=O
SdDdKdYdYdRaSfAwYfMkNeVfDeLlNvAlVlAlSvNlFlKvVvFlScTvLlHpPvNqKaTqVeMaAeVeVcKeAlNcAlYlGqLqGgSsVqKvVnAlRvHsLvMvEvNnGpAhTqFhFyAeVyAqTaLvDvEsAvIvEvLnRlMvHnGpIrTpAhKaIyLeVhLpGhVqLyPdAlKlDcIlDlKvAcIlQvHsRnVhAeLyTeVdPqSfKpQvWsLvKvEsAnIvKvNnIdSdGpEpQrEqKhKaLhWeLyHeIaKeLeDdTqGdMpGpRdLtGgIhKdDdTlNvTrYvQvEvVsIvEvIvIqQvQvYdEpQrLyVa...
SDKYYRSAYMNVDLNAVASNFKVFSTLHPNKTVMAVVKANAYGLGSVKVARHLMENGATFFAVATLDEAIELRMHGITAKILVLGVLPAKDIDKAIQHRVALTVPSKQWLKEAIKNISGEQEKKLWLHIKLDTGMGRLGIKDTNTYQEVIEIIQQYEQLVFEGVFTHFDMTTEQYQRFKDMVNEAIKPEYIHCQNSAGSLLMDCQFCNAIRPGISLYGYYPSEYVQQKVKVHLKPSVQLIANVVQTKTTTIALLPIGYADGYLRIMQGSFVNVNGHQCEVIGRVCMDQTIVKVPDQVKAGDSVILIDNHRESPQSVEVVA...
4A3Q_2_k12
2
-6.6
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174
Q5LT63
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4Y3W_2_k12
0
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174
Q6B0I6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4D6Q_1_k12
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753
Q6UD73
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3E5H_1_k12
0
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444205
P04062
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3KG2_2_k12
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679
Q9UKV8
[OH0][=S@@][Branch1][C][CH3][CH3]
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5A7O_2_k12
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444205
P24670
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7BND_1_k12
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176
P29473
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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3LPC_1_k12
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154440804
P77258
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH1][=CH1][OH0][H]
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3WJS_1_k12
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131955100
P14489
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CS(=O)(=O)NCc1ccc(-c2cccc(C(=O)O)c2)cc1
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5QAO_1_k12
1
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90655273
P23724
[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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5L5J_1_k12
0
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753
P02945
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ZQF_1_k12
0
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439407
O14965
[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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6VPH_3_k12
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1015
P31044
[OH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
NCCOP(=O)(O)O
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2IQX_1_k12
0
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444205
P11838
[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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6CW6_2_k12
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s29
P0ABQ6
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5Z6J_1_k12
1
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996
Q6N140
[CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
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GIVEQCCTSICSLYQLENYCNFVNQHLCASHLVEALYLVCGERGFFYTPKT
3JSD_1_k12
0
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679
D2Z027
[OH0][=S@@][Branch1][C][CH3][CH3]
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6B7F_1_k12
0
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753
P43027
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3OLQ_1_k12
0
-4
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174
Q5REY6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6S57_1_k12
0
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s690
Q9NV35
[C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring2][C][NH0][CH0][=CH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=SH0][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][O][H][NH0][Branch1][C][H][CH2][Ring1][S][C@H1][Branch1][Ring1][OH0]...
NC1NC(=S)C2=C(N1)N([C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
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GRRPGVGVGVVVTSCKHPRCVLLGKRKGSVGAGSFQLPGGHLEFGETWEECAQRETWEEAALHLKNVHFASVVNSFIEKENYHYVTILMKGEVDVTHDSEPKNVEPEKNESWEWVPWEELPPLDQLFWGLRCLKEQGYDPFKEDLNHLVGYKGNHL
5LPG_1_k12
1
-9.3
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s745
757076
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COc1ccc(Br)cc1S(=O)(=O)NC1=C(C)C=C2ONC(C)=C2C1
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5Y8Z_1_k12
2
-6.9
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753
Q9FI61
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
RdEvQvAvRvLlLvKvElLqAvDvIqQvQvLpGcVkShAkQdIaVdGpGpDdIsHqRwWmRkGiFwIhAqGqPdLpGpTaPlYlEhGpGfHiFwTiLkDtIwVgIhPdPpDpYpPpYaNqPaPiKaMiKfFtVpTfKqIaWqHaPqNqIaSaSnQvTtGrAhIgCdLdDcIcLnKpHvEvWpSdPnAvLdTgIvRvTvAvLsLnSvIvQnAvMcLsAvDpPgVdPlTpDdPgQpDyAvEvVsAsKvMcMcIvEvNpHvPvLvFsVsQvTvArKnLvWsTrEvTvFtAgKd
REQARLLKELADIQQLGVSAQIVGGDIHRWRGFIAGPLGTPYEGGHFTLDIVIPPDYPYNPPKMKFVTKIWHPNISSQTGAICLDILKHEWSPALTIRTALLSIQAMLADPVPTDPQDAEVAKMMIENHPLFVQTAKLWTETFAK
2F4Z_1_k12
0
-3.1
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753
Q59478
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdTaSeAaKeIeVeMeLaGfEaSpGpAlGcKsSlSlIlAlLcRcFqTqRpNvEdFgLdApNpQdEdTlTqIpGrAdAqFwLgSwKdTwVdMdIaDvGpRdAtLyKiYyEtIyWgDyTqAsGnLvEcRvFvRvSdLgAdPlIvYrYlReGrAgSqGeAyLeVqVgYgDeIqTlNdSpEvSrLlKvKcAsQlTvWrIlKvEvLsRvAvNrAyDdPpSnLhIqIyVeLyVeGhNeKpKvDvLpGvSvLsRgQdVdSdFqEvDsGqQvRvLsAcAvEvEsQvLhAnAyFyYyEyAaSyAsKvDvNrNgNcVsEnQvVvFvLnDv...
ATSAKIVMLGESGAGKSSIALRFTRNEFLANQETTIGAAFLSKTVMIDGRALKYEIWDTAGLERFRSLAPIYYRGASGALVVYDITNSESLKKAQTWIKELRANADPSLIIVLVGNKKDLGSLRQVSFEDGQRLAAEEQLAAFYEASAKDNNNVEQVFLDLAAKL
6L6O_2_k12
0
-2.2
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753
Q9SD76
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4BQI_3_k12
0
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753
P21921
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2V2P_1_k12
0
-3.1
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8141
O87939
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCCC
LdSvEvSvLvKvRvIlGvDvEvLlDvSpNpMpEvLvQvRvMvIlApApDpSdPlRpEvVvFlFvRvVvAvAcDvMlFpSvDdGpNdFdNdWpGsRsVvVvAsLsFvYvFsAnSvKvLsVvLvKvAdLdGdSdDdApSvTvKvKvLvSvEvSvLvKvRvIvGvDvEcLcDvSpNvMvEvLnQvRvMvIlAlApVdDdTlDpSdPvRpEvVvFlFvRvVlAvAcDvMlFcSvDvGvNdFdNdWvGvRsVvVvAvLsFvYvFsAvSvKsLsVvLvKvAnLvSd
LSESLKRIGDELDSNMELQRMIAADSPREVFFRVAADMFSDGNFNWGRVVALFYFASKLVLKALGSDASTKKLSESLKRIGDELDSNMELQRMIAAVDTDSPREVFFRVAADMFSDGNFNWGRVVALFYFASKLVLKALS
8SPF_4_k12
0
-4.6
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880
Q9WZC3
[CH0][Branch1][C][CH3][=Branch1][C][=OH0][CH1][=OH0]
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3IWD_1_k12
0
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444205
Q3UH53
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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5K6Z_2_k12
0
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5288845
P12821
[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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2VMY_4_k12
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2093
P03367
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3UTV_1_k12
1
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174
Q8A9M2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6NW9_1_k12
0
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753
P79800
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4GH1_1_k12
0
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174
Q12657
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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7YW3_2_k12
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753
P0DTD1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4AEJ_1_k12
0
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s429
P00766
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7GCH_1_k12
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8172
F4JJL0
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8QJO_3_k12
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s510
B7GLK2
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4XIU_1_k12
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P42212
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O[C@H]1[C@H](F)[C@H](O)O[C@@H]1COP(O)O
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174
P06746
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3K1U_2_k12
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444205
P0DTC2
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7EKE_1_k12
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174
Q9KD39
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8A2D_1_k12
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174
P0A1F6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4E1V_3_k12
0
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679
P51643
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7Z2Q_2_k12
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5255509
P00698
[S@@][Branch1][=Branch2][C@][Branch1][C][FH0][Branch1][C][FH0][FH0][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)C(F)(F)F
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6TVL_1_k12
0
-3.5
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92332561
G3XD01
[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][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH1][Ring1][=Branch2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2]...
O=c1ccn([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
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MATIHPTAIVDEGARIGAHSRIWHWVHICGGAEIGEGCSLGQNVFVGNRVRIGNRVKIQNNVSVYDNVFLEDDVFCGPSMVFTNVYNPRAAIERKSEYRDTIVRQGATLGANCTVVCGATIGRYAFVGAGAVVNKDVPDFALVVGVPARQIGWMSRHGEQLDLPLRGNAEATCPHTGERYILTDGVCRLAMATIHPTAIVDEGARIGAHSRIWHWVHICGGAEIGEGCSLGQNVFVGNRVRIGNRVKIQNNVSVYDNVFLEDDVFCGPSMVFTNVYNPRAAIERKSEYRDTIVRQGATLGANCTVVCGATIGRYAFVGAG...
3MQG_3_k12
1
-8.2
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s17
P02945
[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
MdKwIdDaIaLaDdKhGkFiVkEaLwVdDdVkMdGdNeDlLqSqAlVlRqAvAvRcVvSvFvDpMdGgLdKdDdEvEvRvDsRlHvLvIlElYvLcMqKqHvGvHvElTpPsFqEqHrIiVkFtTkFmHkViKkAfPfIqFvVlAvRvQvWvFvRvHlRpIqAkSdYkNdEkLdSdGqRqYpSdKpLaSdYlEdFfYgIqPdSdPlEcRvLcEpGpYdKdTdTpIdPrPsEvRvVvTsEvKvIvSvEvIlVsDvKvAlYvRvTqYlLvEvLcIvEvSvGvVhPgRrEvVpAsRcIpVsLhPdLrNrLrYmTmRiFmFmWi...
MKIDILDKGFVELVDVMGNDLSAVRAARVSFDMGLKDEERDRHLIEYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRHRIASYNELSGRYSKLSYEFYIPSPERLEGYKTTIPPERVTEKISEIVDKAYRTYLELIESGVPREVARIVLPLNLYTRFFWTVNARSLMNFLNLRADSHAQWEIQQYALAIARIFKEKCPWTFEAFLKYAYKGDILKEVQVMKIDILDKGFVELVDVMGNDLSAVRAARVSFKDEERDRHLIEYLMKHGHETPFEHIVFTFHVKAPIFVARQWFRHRIASYNELSGRYSKLSYEFYIPSPE...
1O28_3_k12
2
-5
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174
P16092
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
PdIpVpMvVpHdQdAdIqSdPpRvTlLlNvAvWlVlKvVcVcEvEvKvAvFlSqPlEvVnIlPvMsFlSpCvLsSqEvGpAhTfPlQvDnLnNcCsMnLlNvTvVrGdGdHpQvAvAlMsQvMlLlKvEvTlIlNvEvEvAlAvEvWqDcRvLvHdPpVfHdAdGdPdIdAdPpGpQdMqRgEdPdRgGsScDvIlAnGvTnTpShTdLvQvEnQrIvGcWqMcTpHdNvPvPhIpPnVsGsEvIvYsKsRvWsInIsLvGsLsNlKvIvVlRlMvYpSlPpTdSdIlLlDpIqRaQaGdPpKpErPqFlRvDvYsVvDv...
PIVMVHQAISPRTLNAWVKVVEEKAFSPEVIPMFSCLSEGATPQDLNCMLNTVGGHQAAMQMLKETINEEAAEWDRLHPVHAGPIAPGQMREPRGSDIAGTTSTLQEQIGWMTHNPPIPVGEIYKRWIILGLNKIVRMYSPTSILDIRQGPKEPFRDYVDRFYKTLRAEQTETLLVQNANPDCKTILKALGPGATLEEMMTACQ
3MGE_1_k12
0
-2.6
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679
P33590
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdKqYdMqTdPvMqQlQvKvLlNvEvVlYlEvAlVlKqNqYdTdDdKpRvGrRdRrLlSlApIvFqLaRdLdPdSdRcSvEvLcPvDvYlYcLvTpIlKpKdPdMaDgMsEvKvIlRvSvHcMsMsAvNvKnYdQpDhInDvSvMsVlEvDrFlVlMsMsFlNvNsAqCpTvYvNdEdPpEpSdLpInYvKvDsAsLvVvLsHnKvVsLsLvEvTvRvRvDvLd
SKYMTPMQQKLNEVYEAVKNYTDKRGRRLSAIFLRLPSRSELPDYYLTIKKPMDMEKIRSHMMANKYQDIDSMVEDFVMMFNNACTYNEPESLIYKDALVLHKVLLETRRDL
5FH8_3_k12
0
-2.2
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
8117
P14618
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
AdDpTdFpLvEvHlMvCvRpLdDdIpDpSpPdPfIdTdAaRfNqTfGaIeIeCeTeIaGaPpAqSqRqSaVlEvTnLlKlEvMqIvKvSqGgMhNaVeAyReLyNeFvSlHdGdTdHlEvYvHvAvEsTsIlKvNsVnRvTcAnTqEcSpFpAcSpDdPlIlLpYrRaPfVhAaVyAeLyDeTfKnGfPdEwIkRwTkGaLaIdKqGaSdGlTpAdEkVdEwLdKdKaGqAaTkLeKkIeTfLaDpNcApYcMrEnKhCdDyEnNhIyLiWyLmDpYdKqNpIpCqKvVwVdEdVcGqSwKwIkYaVwDaDlGrLqIwSi...
ADTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGSGTAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEKVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTR...
6V75_1_k12
0
-2.7
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s748
P12821
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CC(=O)NC1=C([C@H](O)[C@H](O)CO)O[C@H](C(=O)O)C=C1NC(N)=[NH2+]
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3TIC_2_k12
1
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753
Q6EZC3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3NB2_1_k12
0
-2.9
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8200
P39900
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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SLRPLYMDVQATTPLDPRVLDAMLPYLINYYGNPHSRTHAYGWESEAAMERARQQVASLIGADPREIIFTSGATESNNIAIKGVARFYRSRKKHLITTQTEHKCVLDSCRSLEAEGFQVTYLPVQKSGIIDLKELEAAIQPDTSLVSVMTVNNEIGVKQPIAEIGRICSSRKVYFHTDAAQAVGKIPLDVNDMKIDLMSISGHKIYGPKGVGAIYIRRRPRVRVEALQSGGGQERGMRSGTVPTPLVVGLGAACEVAQQEMEYDHKRISKLSERLIQNIMKSLPDVVMNGDPKHHYPGCINLSFAYVEGESLLMALKDVA...
6W1D_9_k12
0
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520822
A4F8G5
[CH0][Branch1][=Branch2][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][=CH1][CH1][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][Ring1][S]
Nc1ccc(C(F)(F)F)cc1N
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ETLGEKWKKKLNQLSRKEFDLYKKSGITEVDRTEAKEGLKRGETTHHAVSRGSAKLQWFVERNMVIPEGRVIDLGCGRGGWSYYCAGLKKVTEVRGYTKGGPGHEEPVPMSTYGWNIVKLMSGKDVFYLPPEKCDTLLCDIGESSPSPTVEESRTIRVLKMVEPWLKNNQFCIKVLNPYMPTVIEHLERLQRKHGGMLVRNPLSRNSTHEMYWISNGTGNIVSSVNMVSRLLLNRFTMTHRRPTIEKDVDLGAGTR
5EIW_2_k12
0
-3.3
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s193
F6BCS4
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CC(C)N(C)C1NCNC2C1=CNN2C
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KQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKEQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCTIHIVTVTINGDDAENARPKPKPGDGEFVEVISLPKNDLLQRLDALVAEEHLTVDARVYSYALALKHAKQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCT...
5QJM_2_k12
2
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448009
P84155
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Branch1][CH2][CH2][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
NC(CCO)(CCO)CCO
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VDSVYRTRSLGVAAEGIPDQYADGEAARVWQLYIGDTRSRTAEYKAWLLGLLRQHGCHRVLDVACGTGVDSIMLVEEGFSVTSVDASDKMLKYALKERWNRRKEPAFDKWVIEEANWLTLDKDVPAGDGFDAVICLGNSFAHLPDSKGDQSEHRLALKNIASMVRPGGLLVIDHRNYDYILSTGCAPPGKNIYYKSDLTKDITTSVLTVNNKAHMVTLDYTVQVGFSKFRLSYYPHCLASFTELVQEAFGGRCQHSVLGDFKPYRPGQAYVPCYFIHVLKKTGVDSVYRTRSLGVAAEGIPDQYADGEAARVWQLYIGDT...
3THS_1_k12
0
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s351
A0KGY6
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CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@](=O)(O)O[P@](=O)(O)O[C@H]3O[C@H](C)[C@H](O)[C@H](N)[C@H]3O)O2)C(=O)NC1O
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MKLIIAGKNNIAVDVTKWIIKTISDIELYSVCNENDHGNDSFQLSFKKFCIQFNIPIISLEDAYHLEDAIFLSLEFDKIIHPSKFTHNRIFNIHFSYLPAYKGMYTSAWPILNNEQESGVTLHKIDHGIDTGAIIDQQKFPLDIEETAKTLYLKYIKIGTEIVIKNLPALISGNYSIVEQSAIKSSYYSKKSIDYKNLMIDLNKTAHEILQQIRAFTFRDYQLPRIDDIDIFHGEILSSKSLSKPGTILEKNNYHLILSTIDYDIKLYSDNFDEILTACEDKSPEFISKLLKTENILFEKNHLGWSPIIIAAYHGNMDVI...
4XD0_2_k12
1
-9.6
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679
Q9FFF6
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7V2T_2_k12
0
-1.9
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8843
O95271
[CH2][Branch1][Branch2][CH2][CH1][=CH0][Branch1][C][CH3][CH3][CH0][=Branch1][Ring2][=CH1][CH1][=OH0][CH3]
CC(C)=CCCC(C)=CC=O
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5MLR_1_k12
2
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s636
P0ABQ6
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4X5H_1_k12
1
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176
Q32ZE1
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NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O)CN2
RdQdLdPpSlHqEkLdIkMdSkEdLaMaMaPqDvTlAdAdFpSvGqNfVgHdGpGvEvLvLvLvLvLvDvQvVrAvYqSvCsAvScRsYqSfGvNaYgCkVdTwLdSdVkDpKdVwLdFfKpEdPtIaHhIhGgDwLiVkTmFwYiAwAgVfNlYfTfGdRfTfSkMtEkIiGkIiRwViEwAtQaNrIpRvTvGrEdIiRdHgTgNtSiCiYiFtTiMiVgAgVdKdDpGrKdPgVhPgVgPdPgLdEdIdLdTdDvRvQsRvCvRsYhEvKvAvKvKvRvRvDvIvSvLvQd
RQLPSHELIMSELMMPDTAAFSGNVHGGELLLLLDQVAYSCASRYSGNYCVTLSVDKVLFKEPIHIGDLVTFYAAVNYTGRTSMEIGIRVEAQNIRTGEIRHTNSCYFTMVAVKDGKPVPVPPLEILTDRQRCRYEKAKKRRDISLQ
5SZY_1_k12
1
-8.1
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s705
P23819
[CH0][=Branch1][C][=OH0][Branch2][Ring2][Ring1][NH0][CH2][C@@][Branch1][C][CH3][Branch1][C][CH3][CH1][NH0][Branch1][C][H][CH1][=CH0][Branch1][#Branch2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH0][Ring2][Ring1][Ring1][Ring1][=C][CH2][NH0][CH2][C@@H1][Branch1][C][CH3][N@@+1][Branch1][C][H][Branch1][...
C[C@@H]1CN(CC(=O)N2CC(C)(C)C3NC=C(Cc4ccccc4)C=C32)[C@@H](CN2C=CCC2=O)C[NH2+]1
MdNpFaPwNdSlTdNpLaPwRpNaPpScMlApDdYlEvAsRqIlFvTqFqGpTpWpIpYdSlVdNdKsEsQqLlAsRvAlGqFwYhAaLpGpEdGaDrKwVtKaChFrHrCrGrGrGiLdTdDdWdKdPnSpEdDgPnWlElQvHcAlKvWrYpPvGsCgKpYvLsLcEvQpKpGnQvEvYvIsNvNvIsHnLvTvHvSvLvEvEvCd
MNFPNSTNLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTHSLEEC
5M6M_1_k12
1
-8.7
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78225628
P0AEK6
[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
KdVkLdKkIwRkYpPpDvDvGhEpWkPtGkAdPaIqDcKlDvGpDpGpNaPgEqFkYiIwEiIqNfLqWpNfIwLpNdAwTpGfFmAkEmMwTmYaNdLsTvSqGrVkLiHkYiVwQgQwLtDfNqItVdLtRnDdRqSvNvWfVfHrGgYwPgEwImFkYaGfNaKdPqWqNaArNdYhAhTdDpGaPdIfPgLpPfSdKqVlSqNpLgTfDwFkYkLkTkIwSfYkKaLkEdPwKpNdGqLwPwIkNfFwAkIkEkSwWwLwTaRlEdArWhRhThThGdIhNaSaDlEiQeEiVeMiIeWtIqYaYtDgGnLdQdPd...
KVLKIRYPDDGEWPGAPIDKDGDGNPEFYIEINLWNILNATGFAEMTYNLTSGVLHYVQQLDNIVLRDRSNWVHGYPEIFYGNKPWNANYATDGPIPLPSKVSNLTDFYLTISYKLEPKNGLPINFAIESWLTREAWRTTGINSDEQEVMIWIYYDGLQPAGSKVKEIVVPIIVNGTPVNATFEVWKANIGWEYVAFRIKTPIKEGTVTIPYGAFISVAANISSLPNYTELYLEDVEIGTEFGTPSTTSAHLEWWITNITLTPLDRPLIS
3VGI_2_k12
0
-4.2
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28114307
P10378
[OH0][=CH0][Branch1][S][NH0][Branch1][C][H][C@H1][CH2][CH2][CH2][NH0][Branch1][C][H][CH2][Ring1][#Branch1][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
O=C(N[C@H]1CCCNC1)c1ccccc1
KdTdFpKpQvRvRdTpFlEvQrRlVlEvDvVvRvLvIcRcEvQpHvPvTqKwIaPwVaIfIeEfReYdKpGpEaKdQpLfPdVtLaDpKdTgKiFdLtVhPrDqHaVqNfMqSlEvLvIvKvIvIvRcRvRrLsQvLdNdAdNpQqAaFkFaLkLaVkNlGnHhShMdVpSdVrSrTdPgIvSnEvVvYqEvSpErKpDdEpDsGsFyLtYyMmVyYmAhSsQdEpTpFd
KTFKQRRTFEQRVEDVRLIREQHPTKIPVIIERYKGEKQLPVLDKTKFLVPDHVNMSELIKIIRRRLQLNANQAFFLLVNGHSMVSVSTPISEVYESEKDEDGFLYMVYASQETF
7GAC_2_k12
0
-4.2
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3776
P16213
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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7R7X_2_k12
0
-2.9
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s490
A7LXU3
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4CMI_1_k12
1
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s248
P67963
[CH0][=Branch1][C][=OH0][CH2][C@@H1][Branch1][C][CH3][NH0][Branch1][C][H][CH0][=CH0][Branch2][Ring1][O][CH0][=CH1][CH0][=CH0][Branch1][=Branch1][C@H1][CH2][CH2][Ring1][Ring1][NH0][Branch1][C][H][NH0][Branch1][C][CH3][CH1][Ring1][#Branch2][CH1][=CH1][Ring1][=C][CH1][=CH1][CH1][=CH0][Ring2][Ring1][Ring2][NH0][Ring2][Ring...
C[C@@H]1CC(=O)Nc2cccc(C3=CC4=C(C5CC5)NN(C)C4C=C3)c2N1
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5I89_1_k12
1
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s722
O52792
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VNYAAGLSPYADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVAKARGLRACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEPTARKSTGG
5Y2F_3_k12
1
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444205
P0A017
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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QLFADLSREELTAVMRFLTQRLGPGLVDAAQARPSDNCVFSVELQLPPKAAALAHLDRGSPPPAREALAIVFFGRQPQPNVSELVVGPLPHPSYMRDVTVERHGGPLPYHRRPVLFQEYLDIDQMIFNRELPQASGLLHHCCFYKHRGRNLVTMTTAPRGLQSGDRATWFGLYYNISGAGFFLHHVGLELLVNHKALDPARWTIQKVFYQGRYYDSLAQLEAQFEAGLVNVVLIPDNGTGGSWSLKSPVPPGPAPPLQFYPQGPRFSVQGSRVASSLWTFSFGLGAFSGPRIFDVRFQGERLVYEISLQEALAIYGGNSP...
2C11_3_k12
0
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311
P22188
[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
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RNLRDLLAPWVPDAPSRALREMTLDSRVAAAGDLFVAVVGHQADGRRYIPQAIAQGVAAIIAEAKDEATDGEIREMHGVPVIYLSQLNERLSALAGRFYHEPSDNLRLVGVTGTNGKTTTTQLLAQWSQLLGEISAVMGTVGNGLLGKVIPGSAVDVQHELAGLVDQGATFCAMEVSSHGLVQHRVAALKFAASVFTNLSGDMEHYEAAKWLLYSEHHCGQAIINADDEVGRRWLAKLPDAVAVSMEDHINPNSHGRWLKATEVNYHDSGATIRFSSSWGDGEIESHLMGAFNVSNLLLALATLLALGYPLADLLKTAAR...
7B6P_2_k12
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445395
Q83884
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1H63_1_k12
1
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71757930
P16996
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CC(=O)Nc1ccc(C)c2c1CCCN2
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5RLM_1_k12
2
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s645
Q55710
[P@@][=Branch1][C][=OH0][Branch1][C][OH1][Branch2][Ring2][=C][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][CH2][C@@][Branch1][C][CH3][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][CH0][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][CH2][CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][CH2][SH0][H][=OH0][=OH0][...
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ATLATKKATLVAALKDLQRVTVAFSGGIDSTLVLKMALDVLGRDNVTAVVANSELFTDEEFDKAMSLAEELGANVQGTTLDYLSDDHIKNNTPDSWYYAKKMFYSRLNDIAANNGSAAVLDGMIKNRSEAGARSLLQEADFFKTDVRALAQELGLTNWNKVASCSVSSRFPYGTTLTHDNIAQVMAAEKYLRSLGFPTVRVRFHNDIARIELPEARIGDFLVFNDRVNRQLQSLGFRYVTLDLGGFR
6B2M_1_k12
1
-7.9
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1567
P03336
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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1DYG_1_k12
0
-1.6
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11006
Q9D2Y4
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC
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EDFRPVVFVHGLAGSAGQFESQGMRFAANGYPAEYVKTFEYDTISWALVVETDMLFSGLGSEFGLNISQIIDPETLDKILSKSRERLIDETFSRLDRVIDEALAESGADKVDLVGHAMGTFFLVRYVNSSPERAAKVAHLILLDGVWGVDAPEGIPTLAVFGNPKALPALGLPEEKVVYNATNVYFNNMTHVQLCTSPETFAVMFEFINGYKPATTDIVPQDGDYVKVKGKFLAFATNGDVSGWLSIYPIDENGKRLTRLPVKFMRVKGDFEVRLRKGQLYEFQFRKDFSPIIYHYYRAPFVRDDLWARFLVSKPPLDVE...
2ZYH_1_k12
2
-6.2
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12391
P02945
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCC
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MVILGVGYFLLGLILLYYGSDWFVLGSERIARHFNVSNFVIGATVMAIGTSLPEILTSAYASYMHAPGISIGNAIGSCICNIGLVLGLSAIISPIIVDKNLQKNILVYLLFVIFAAVIGIDGFSWIDGVVLLILFIIYLRWTVKNGSAKNNPSVVFSLVLLIIGLIGVLVGAELFVDGAKKIALALDISDKVIGFTLVAFGTSLPELMVSLAAAKRNLGGMVLGNVIGSNIADIGGALAVGSLFMHLPAENVQMAVLVIMSLLLYLFAKYSKIGRWQGILFLALYIIAIASLRMGGG
5HXE_1_k12
0
-4.2
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679
P71411
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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4B14_1_k12
0
-2.8
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s106
O59580
[CH2][Branch2][Ring2][N][C@H1][OH0][C@@H1][Branch2][Ring1][O][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][Ring1][OH0][H][=CH0][Ring1][#Branch2][NH0][Branch1][C][H][CH2][Ring1][=C][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][Branch1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH...
O=P(O)(O)OC[C@H]1O[C@@H](N2CNC3=C(O)NCNC32)[C@H](O)[C@@H]1O
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MKIFFITSNPGKVREVANFLGTFGIEIVQLKHEYPEIQAEKLEDVVDFGISWLKGKVPEPFMIEDSGLFIESLKGFPGVYSSYVYRTIGLEGILKLMEGAEDRRAYFKSVIGFYIDGKAYKFSGVTWGRISNEKRGTHGFGYDPIFIPEGSEKTFAEMTIEEKNALSHRGKALKAFFEWLKVNLKY
2DVN_1_k12
1
-7.3
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