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
s760
P41182
[C@@H1][Branch1][#Branch2][CH2][OH0][PH0][Branch1][Ring1][OH0][H][OH0][H][OH0][C@@H1][Branch2][Ring2][C][NH0][CH0][=CH0][Branch2][Ring1][Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][O][H][NH0][Branch1][C][H][CH2][Ring1][S][C@H1][Branch1][Ring1][OH0][H][...
NC1NC(=O)C2=C(N1)N([C@@H]1O[C@@H](COP(O)O)[C@@H](O)[C@H]1O)CN2
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GGTSKLKYVLQDARFFLIKSNNHENVSLAKAKGVWSTLPVNEKKLNLAFRSARSVILIFSVRESGKFQGFARLSSESHHGGSPIHWVLPAGMSAKMLGGVFKIDWICRRELPFTKSAHLTNPWNEHKPVKIGRDGQEIELECGTQLCLLFPPDESIDLYQVIHKMR
7PO6_2_k12
2
-5.4
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8117
P0DTC1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7BYI_1_k12
0
-2.7
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5414
P42061
[CH2][Branch1][O][CH2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCCCCCCCOCCOCCOCCOCCO
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1H3C_2_k12
0
-4.4
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8OZA_5_k12
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4CUN_3_k12
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149261088
P61589
[CH2][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][S]
CC(=O)N[C@H]1CO[C@H](CO)[C@H](O)C1
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2HRL_2_k12
0
-4.4
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753
O15382
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5I5V_4_k12
0
-2.6
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5288834
P02768
[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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7Z57_2_k12
0
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446996
P50120
[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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SKPFTLPILTLGELTNSRFPLPIDVLYTNPNESAIVQCQNGRCTLDGELQGTTQLLPTGICAFRGKVTQQVQDEHRGTHWNMTVTNLNGTPFDPTEDVPAPLGTPDFSGQIYGVISQRNTNTVPGEGNLPANRAHEAVIATYSPKFTPKLGNIQFSTWETQDVSSGQPTKFTPVGLASVDANSHFDQWTLPSYSGALTLNMNLAPSVAPVFPGECLLFFRSFIPLKGGYGNPAIDCLMPQEWVQHLYQESAPSLSDVALVRYVNPETGRTLFEAKLHRNGFLTVARNSAGPVVAPTNGYFRFDSWVNQFYTLAPMSKPFT...
3Q3A_3_k12
0
-3.9
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753
A0A0R6L508
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5Y1H_1_k12
0
-3.6
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s702
O81395
[CH3][NH0][Branch2][Ring2][#Branch1][CH2][CH0][=CH1][NH0][Branch1][C][H][CH1][CH0][=Branch1][Ring2][=NH0][Ring1][#Branch1][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring1][=C][H][CH0][=CH1][CH1][=CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=B...
CN(CC1=CNC2NC(N)NC(N)C2=N1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
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EKNVSIVVAASVLSSGIGINGQLPWSISEDLKFFSKITNNKCDSNKKNALIMGRKTWDSIGRRPLKNRIIVVISSSLPQDEADPNVVVFRNLEDSIENLMNDDSIENIFVCGGESIYRDALKDNFVDRIYLTRVALEDIEFDTYFPEIPETFLPVYMSQTFCTKNISYDFMIFEKQLKSIDDTVDLLGEIAGIRKMGNRHKFPKEEIYNTPSIRFGREHYEFQYLDLLSRVLENGAYRENRTGISTYSIFGQMMRFDMRESFPLLTTKKVAIRSIFEELIWFIKGDTNGNHLIEKKVYIWSGNGSKEYLERIGLGHREEN...
3HJ3_2_k12
1
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6CGY_1_k12
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s627
P23368
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1PJ4_1_k12
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445184
Q91MA7
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRQASSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPE
5VU4_3_k12
0
-2.6
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176
P04825
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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IPEGSLQFLSLRASAPIGSAISRNNWAVTCDSAQSGNECNKAIDGNKDTFWHTFYGANGDPKPPHTYTIDMKTTQNVNGLSMLPRQDGNQNGWIGRHEVYLSSDGTNWGSPVASGSWFADSTTKYSNFETRPARYVRLVAITEANGQPWTSIAEINVFQASSYTAPQPGLGRWGPTIDLPIVPAAAAIEPTSGRVLMWSSYRNDAFGGSPGGITLTSSWDPSTGIVSDRTVTVTKHDMFCPGISMDGNGQIVVTGGNDAKKTSLYDSSSDSWIPGPDMQVARGYQSSATMSDGRVFTIGGSWSGGVFEKNGEVYSPSSKT...
1K3I_2_k12
0
-3
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s275
P03366
[NH0][Branch1][C][H][Branch2][Ring1][#Branch2][NH0][Branch1][C][H][CH1][Branch1][P][CH0][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][#Branch2][OH0][H][CH2][CH0][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][CH0][=CH0][Ring1][Branch2][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
COc1ccc2ccccc2c1CNNC(O)c1ccc(O)c(O)c1
PdIaSfPpIfEdTeVdPdVwKdLwKdPpGpMdDdGfPaKqVdKdQeWpPqLdTaEqEvKpIlKpAvLcVvEvIvCvTvEvMvEcKvEvGqKqIkSpKfIdGdPpEdNdPfYhNaTwPyVwFdAkIdKdKdKpDpSdTdKdWiRdKtLaVtDdFvRpEvLrNqKnRgTiQdDaFdWpEdVdQpLpGdIdPqHdPfAlGqLdKaKaKaKqSfVkTaVkLwDfVwGdDpAqYqFsSrVaPfLyDdEpDpFcRqKsYsTqAkFhTwIrPaSdIsNdNnEpTgPpGiItRiYmQtYgNgVgLhPrQvGvWrKpGcSrPqApIrFr...
PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFKKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLSKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYD...
2I5J_2_k12
1
-9.3
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8172
P07386
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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2W97_2_k12
0
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176
P50429
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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PIQDGEFTFLLPAGRKQCFYQSAPANASLETEYQVIGGAGLDVDFTLESPQGVLLVSESRKADGVHTVEPTEAGDYKLCFDNSFSTISEKLVFFELIFDPIQDGEFTFLLPAGRKQCFYQSAPANASLETEYQVIGGAGLDVDFTLESPQGVLLVSESRKADGVHTVEPTEAGDYKLCFDNSFSTISEKLVFFELIFD
7RRM_2_k12
0
-2.6
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444279
P60016
[CH2][Branch1][=N][CH2][CH2][CH2][N@@+1][Branch1][C][CH3][Branch1][C][CH3][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC[N+](C)(C)O
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PAQSVSNLYNEASGFFGNGKFSFETGITYARYDIKADNWTLDLTGAYNLDNRWQFDVNVPVVYRESTYSEESVSRDPTIGDVNFGIAYKFLDESATMPDAVVSVRVKAPTGKEPFGIKLVYVPESLPTGNGVWSITPGLSMVKTFDPAVLFGSVSYTHNLEDSFDDISSDVNQKVGGKVRLGDSFQFGVGVAFALNERMSMSFSVSDLIQRKSKLKPDGGWQSIVSSDANAGYFNVGMTIAASNLTIVPNLAIGMTDDAPDFTFSLKFPYYFAQSVSNLYNEASGFFGNGKFSFETGITYARYDKADNWTLDLTGAYNLD...
5O68_1_k12
2
-6.1
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s139
P22455
[NH0][Branch2][Ring1][Ring2][CH2][CH2][CH2][NH0][CH2][CH2][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][CH2][CH3][CH2][CH2][Ring1][#Branch2][CH1][NH0][Branch1][C][H][CH1][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][CH0][=CH0][Branch1][O][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][CH2][CH3][H][CH1][=CH1][CH1][...
CCC(=O)Nc1ccccc1NC1NC=C2CN(c3cc(OC)cc(OC)c3)C(=O)N(CCCN3CCN(C(=O)CC)CC3)C2N1
LdPdLdDdPpLvWfEaFdPdRcDvRqLkVdLwGdKaPwLdGdEaGlCaFlGwQtVkVtRkAiEwAgFaGpMlDpPvAvRrPrDgQdAiSdTiVwAiVkKtMfLhKdDpNpArSdDdKcDsLvAvDqLvVvSqElMlEvVcMlKvLqIlGdRdHdKqNaIaIwNhLwLsGhVwChTdQpEdGdPtLtYiVtIiVtEhCdAaAdKpGaNfLqRlEvFvLlRvAvRfRdPqPdSpPdDdGdPpRdSnSnEpGtPpLdSdFpPlVlLlVlSvClAlYlQqVvAlRvGqMlQvYsLcEvSvRsKvCfIaHqRqDqLdAaArRnNq...
LPLDPLWEFPRDRLVLGKPLGEGCFGQVVRAEAFGMDPARPDQASTVAVKMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVECAAKGNLREFLRARRPPSPDGPRSSEGPLSFPVLVSCAYQVARGMQYLESRKCIHRDLAARNVLVTEDNVMKIADFGLARGVHHIDYYKKTSNGRLPVKWMAPEALFDEVYTHQSDVWSFGILLWEIFTLGGSPYPGIPVEELFSLLREGHRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQLVEALDKVLLAV
7V29_1_k12
1
-10.1
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137088
B7NH49
[CH1][Branch1][Ring1][OH0][H][=CH1][OH0][H]
OC=CO
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PKSMQCKVILLDGSEYTCDVEKRSRGQVLFDKVCEHLNLLEKDYFGLTYRDAENQKNWLDPAKEIKKQVRSGAWHFSFNVKFYPPDPAQLSEDITRYYLCLQLRDDIVSGRLPCSFVTLALLGSYTVQSELGDYDPDECGSDYISEFRFAPNHTKELEDKVIELHKSHRGMTPAEAEMHFLENAKKLSMYGVDLHHAKDSEGVEIMLGVCASGLLIYRDRLRINRFAWPKVLKISYKRNNFYIKIRPGEFEQFESTIGFKLPNHRAAKRLWKVCVEHHTFFRLL
5RZA_2_k12
0
-3.2
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8178
D5E1S7
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCO
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6YZ0_3_k12
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867
P93330
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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4JHH_2_k12
0
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174
P29473
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6AGR_2_k12
0
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5288834
P00720
[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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8S3A_3_k12
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90655273
P04058
[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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2CEK_2_k12
0
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5288845
Q8I5R7
[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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2Y1Y_1_k12
0
-3.4
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75540
P9WPA7
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COc1ccccc1C(N)=O
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7FLO_1_k12
2
-6.5
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s737
P11387
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1RR8_2_k12
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s94
O00459
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4P1G_1_k12
1
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s720
O31633
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5KTC_3_k12
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s1079
P56216
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NC1NC=CC(C2=C(c3ccc(F)cc3)NCN2C2CCNCC2)N1
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6SP9_3_k12
1
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753
Q5TJG6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7VS1_1_k12
0
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90269
Q92974
[SH0][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch2]
Cc1ccsc1C(=O)O
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7G8D_3_k12
0
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753
Q9N1E2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6SI0_3_k12
0
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6683
Q96LA8
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O=C1c2ccccc2C(=O)c2c(O)c(O)cc(O)c21
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6AAR_1_k12
1
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753
Q5IS54
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdIdPdVpEpAaDqFdLkYdAwYfSqTfAdPdGpYdYdSfWdRfNdSpKpDqGgStWlFqIvQsSlLlCvAvMlLcKvQvYpAlDqKpLdEwFvMvHvIsLsTvRvVsNqRvKcVqAqTpEvFdEfSdFdSdFpDpApTvFrHhAgKhKgQgIgPiCdIiVdShMrLyTdKdEtLhYhFnYhHd
KIPVEADFLYAYSTAPGYYSWRNSKDGSWFIQSLCAMLKQYADKLEFMHILTRVNRKVATEFESFSFDATFHAKKQIPCIVSMLTKELYFYH
3GJR_1_k12
0
-3.2
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
174
P47929
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
FdNqLfIkSdEdKkCdDfIqLcSvIcLcRvDvHpPdEpNqRvIqYlRvRvKlIsEvEvLvSnKvRvFfTgAiIwRiKfTgKdGlDqRqNlCfFvYqRlAvLvGlYlSlYlLlElSlLcLqGpKpSvRvEvIlFvKvFlKlEvRlVlLvQcTlPvNvDlLlLvAvAlGpFdEdEcHvKvFlRvNvFlFsNvAlFsYnSvVlVsEvLcVsEvKpDvGrSdVpSvSvLsLvKvVqFcNpDpQvSvAsSvDvHsIpVsQlFnLlRlLsLsTlSlAsFqIcRsNvRvAvDvFvFcRcHvFpIpDnEvEpMdDdIsKnDvFcCsTv...
FNLISEKCDILSILRDHPENRIYRRKIEELSKRFTAIRKTKGDRNCFYRALGYSYLESLLGKSREIFKFKERVLQTPNDLLAAGFEEHKFRNFFNAFYSVVELVEKDGSVSSLLKVFNDQSASDHIVQFLRLLTSAFIRNRADFFRHFIDEEMDIKDFCTHEVEPMATECDHIQITALSQALSIALQVEYVDEMDTALNHHVFPEAATPSVYLLYKTSHYNILYA
5QIV_1_k12
0
-2.3
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753
P24559
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdIdAdVfDdPlAdPfRfLqAlGdPfPfGaGaPaGeNdDvAvFdDpLwAdPkVaRfSdTqGaRpEhMkLfRfFdDdFdPpGqVwSwIkGfAkAiHaYtEpEvGqPrTwGfAkTiVkIiHaIrPqAvGkAwRaTkAaVkDdAfRqGaGqAqVwGqLkSdGqGrYdDrFiNaHrAmIeCmLeAiGeGlAaGnYqGqLcEqAlGqAvGlVvSqGvAvLqLcEvRvLvEvHvRdTdGdFpAvEsLrQhLgVySmSyAtVyIdYhDqFrSgAsRdSnTyAnVyYtPhDhKsAvLrGsRvAnArLvEvFrAiVgPpGgEiFdPrQf...
GIAVDPAPRLAGPPGGPGNDAFDLAPVRSTGREMLRFDFPGVSIGAAHYEEGPTGATVIHIPAGARTAVDARGGAVGLSGGYDFNHAICLAGGAGYGLEAGAGVSGALLERLEHRTGFAELQLVSSAVIYDFSARSTAVYPDKALGRAALEFAVPGEFPQGRAGAGMSASAGKVDWDRTEITGQGAAFRRLGDVRILAVVVPNPVGVIVDRAGTVVRGNYDAQTGVRRHPVFDYQEAFAEQVPTTISAIVTNVRMSPVELNQFAKQVHSSMHRGIQPFHTDMDGDTLFAVTTDEIDLPTTPGSSRGRLSVNATALGAIAS...
5XYO_1_k12
0
-2.7
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s571
O32181
[CH1][=CH0][CH0][=Branch1][#Branch1][=CH1][CH1][=CH1][CH2][Ring1][=Branch1][CH1][=CH1][NH0][Ring1][#Branch2][H]
C1=CCC2=CNC=CC2=C1
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4XRF_3_k12
0
-4.5
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174
P00947
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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FQGHMALVLDGRALAKQIEENLLVRVEALKAKTGRTPILATILVGDDGASATYVRMKGNACRRVGMDSLKIELPQETTTEQLLAEIEKLNANPDVHGILLQHPVPAQIDERACFDAISLAKDVDGVTCLGFGRMAMGEAAYGSATPAGIMTILKENNIEIAGKHAVVVGRSAILGKPMAMMLLQANATVTICHSRTQNLPELVKQADIIVGAVGKAELIQKDWIKQGAVVVDAGFHPRDGGGVGDIQLQGIEEIASAYTPVPGGVGPMTITTLIRQTVEAAEKALG
4B4U_2_k12
0
-2.8
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753
107346
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4V3I_1_k12
0
-2.7
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s925
P16442
[SH0][CH0][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][OH0][CH2][CH2][Ring1][#Branch2][=CH0][Branch2][Ring1][Ring1][C@H1][OH0][NH0][Branch1][C][H][C@@H1][Branch1][=Branch1][C@H1][CH2][CH2][Ring1][Ring1][NH0][Ring1][=Branch2][H]...
O=C(O)C1=C(C(=O)Nc2sc3c(c2[C@@H]2N[C@H](C4CC4)NO2)CCCC3)CCOC1
DdAlFpVaGaTkWwKkLwVdSdSkEdNcFpDlDvYlMcKvElLvGvVqGdFdAvTvRsKvMvGvGvMpAwKtPwNiCwIgIwSdVdNdGpDqVkIiTkIiKwTtEdStTdLpKdNiTdEiIdSiFdIgLaGpQdEwFdDwEdVqTdApDsDgRdKtVwKiSwThIwThLaDdGpGqVkLtVwQiVwQtKdWdDpGnKaSiTkTiIwKiRwKhRdEdDpDqKwLtVwViEwCiVdMgKvGpVdTiCmTiRiViYiEgRhAd
DAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA
7G13_2_k12
1
-8.9
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753
B1LC63
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdGpLfSdPdYdAdDdKpGdKaCaGaLfPaEfIdFaDdPdPpEvEvLqEvRvKqVlWlEvLvAlRvLqVlWlQpSwSdSaVeVeFeHeTeGeAdGlIqSqTvAvSqGqIdPaDdFaRrGhPnHqGhVqWvTnMvEvEvRvGpLdAgPgKgFrDpTdTdFlElSpAgRaPgTdQlTvHlMlAlLvVqQqLcEvRqVaGnLsLhRqFaLyVeSyQcNdVqDsGqLhHnVqRfSqGvFrPaRqDvKrLyAfEhLfHqGfNhMqFqVwEkEaCfApKpCpKgTdQiYdVrRhDsTdVgVlGpTdMaGaLfKdAfTsGpRdLfCa...
AGLSPYADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVAKARGLRACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEP
5X16_2_k12
0
-2.7
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444205
B9W4V6
[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
GdLaPqPdGaPaLdEpNaSqSfAwKdLqVlNcDdEpAqHfPpWfKdPaLdRdPpGqDaIfRaGwPaCdPlGqLlNqTlLlAlSrHrGvYlLaPvRvNsGqVkAhTaPlAnQsIqIqNsAsVsQcEvGrFaNqFaDgNrQlAqAsIlFqLvTsYlAqAqHcLlVqDqGaNdLlIlTqDrLiLaShIcGhRaKdTdRcLvTsGdPdDdPfPdPpPpArSpVnGgGhLvNqEdHeGpTrFqEqGaDfAlSrMqTqRaGhDgAcFqFvGpNtNrHtDaFgNhEpTvLsFlEvQvLlVqDvYlScNvRvFqGvGvGqKwYqNaLl...
GLPPGPLENSSAKLVNDEAHPWKPLRPGDIRGPCPGLNTLASHGYLPRNGVATPAQIINAVQEGFNFDNQAAIFLTYAAHLVDGNLITDLLSIGRKTRLTGPDPPPPASVGGLNEHGTFEGDASMTRGDAFFGNNHDFNETLFEQLVDYSNRFGGGKYNLTVAGELRFKRIQDSIATNPNFSFVDFRFFTAYGETTFPANLFVDGRRDDGQLDMDAARSFFQFSRMPDDFFRAPSPRSGTGVEVVVQAHPMQPGRNVGKINSYTVDPTSSDFSTPCLMYEKFVNITVKSLYPNPTVQLRKALNTNLDFLFQGVAAGCTQV...
7PN9_1_k12
0
-4.2
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753
P00183
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6CP4_2_k12
0
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753
Q9HKI3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MKIFLDTANIDEIRTGVNWGIVDGVTTNPCLISKEAVNGKKYGDIIREILKIVDGPVSVEVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTLSSEHINTNCTLVFNPIQALLAAKAGVTYVSPFVGRLDDIGEDGMQIIDMIRTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPKTDEGLAKFLECWKKVSP
6YRE_1_k12
0
-3.4
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s153
Q58791
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CCNC1NC=C(C(=O)NCCN2C=C(C(=O)O)NC2)S1
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5SS6_1_k12
2
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5288834
P29474
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1M9Q_1_k12
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59887748
P43235
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1NWG_1_k12
1
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s523
Q8IXJ6
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CC1NC=C(COP(=O)(O)O)C(CNCC(=O)O)=C1O
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5XMV_1_k12
1
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753
Q6DN04
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6CBH_3_k12
0
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753
Q9H2K2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4UI5_1_k12
0
-2.8
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753
965957
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ZIH_2_k12
0
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s482
O60885
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4DJF_1_k12
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s142
P50094
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8BOC_1_k12
1
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311
P0DO17
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5NTG_1_k12
2
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P01903
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5XDB_1_k12
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s49
Q07WU7
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985
O43314
[CH2][Branch1][N][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC(=O)O
GdMaSdNcKlFvLaGaTkWwKkLwVdSdSkEfNqFvDlDvYlMcKvAlLvGvVdGdLdAvTvRsKvLvGvNvLvAwKiPwTmVwIgIwSdKdKdGvDqIwIiTkIiRwTiEdStTpFqKfNiTaEmIdSiFdKgLaGpQdEwFdEwEgTqTdArDsNgRdKtTwKtSwIhVwThLaQdRpGnSkLtNkQiVwQtRdWdDpGnKfEiTkTiIwKiRwKhLdVdNpGqKkMiVwAiEwCiKdMgKpGhVrViCmTiRiIiYiEhKgVd
GMSNKFLGTWKLVSSENFDDYMKALGVGLATRKLGNLAKPTVIISKKGDIITIRTESTFKNTEISFKLGQEFEETTADNRKTKSIVTLQRGSLNQVQRWDGKETTIKRKLVNGKMVAECKMKGVVCTRIYEKV
2WUT_2_k12
2
-6
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s585
P00918
[C@@H1][Branch2][Ring1][=C][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H]...
NC1C=CN([C@H]2C[C@H](O)[C@H](CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O2)C(=O)N1
MdKeIeAaIeFaGeTdVaGqAlGcKlSvTvIlSqAvElIvScKvKvLpGvYaEdIeFdKdEdPdVlEvEpNqPpYqFlEvQcYcYlKvDqLvKlKvTcVvFlKvMsQlIvYvMvLlTvAvRlSqKvQsLvKvNsIyIyFyDsRhThLpLlElDsPlIlFlMvKvVlNcYcDvLvNvNsVdDdQpTvDsYnNcTcYvIvDvFcYcNvNpVpVrLcKvLrSaFgDpIeVhIeYyLsRqVeSdTlKvTsAsIvSvRsIvKvKvRvGpRdSpEsEvLvLpIdGdEsEvYsWsEvTsLsNnKvNsYsEvEvFvYcKvQvNcVvYv...
MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTVFKMQIYMLTARSKQLKNIIFDRTLLEDPIFMKVNYDLNNVDQTDYNTYIDFYNNVVLKLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLNKNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSI
2JAQ_1_k12
1
-10.3
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176
P0AGL4
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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1S1Q_1_k12
0
-2.9
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s108
P13006
[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][...
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4J1M_1_k12
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753
P41182
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7RV6_1_k12
0
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4369116
O34453
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C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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5G6Q_4_k12
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8T7N_1_k12
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174
O60885
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6CIY_1_k12
0
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5288834
P06721
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8DUY_1_k12
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702
P02008
[CH2][Branch1][C][CH3][OH0][H]
CCO
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1JEB_1_k12
0
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445184
P22832
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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1GAI_2_k12
0
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447043
P56459
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7W1A_1_k12
1
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10635
P04825
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2PIX_1_k12
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17472
Q13526
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OCCOCCOCCOCCOCCOCCO
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3TC5_1_k12
0
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s611
P55055
[NH0][Branch1][C][H][Branch2][Ring1][S][CH0][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH0][Ring1][S][=OH0][CH2][CH2][CH2][CH2][C@@H1][NH0][Branch1][C][H][CH0][Branch1][=N][S@@][=Branch1][C][...
CC(C)N1C(=O)C(NCCCC[C@H]2C=CC=C(S(N)(=O)=O)N2)=C(c2ccccc2)S1(=O)=O
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QLTAAQELMIQQLVAAQLQCNKRSFSDQPKVTPWPDARQQRFAHFTELAIISVQEIVDFAKQVPGFLQLGREDQIALLKASTIEIMLLETARRYNHETECITFLKDFTYSKDDFHRAGLQVEFINPIFEFSRAMRRLGLDDAEYALLIAINIFSADRPNVQEPGRVEALQQPYVEALLSYTRIKRPQDQLRFPRMLMKLVSLRTLSSVHSEQVFALRLQDKKLPPLLSEIWDV
6S4U_1_k12
1
-11.8
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1140
P69907
[CH3][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
Cc1ccccc1
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VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYR
3D17_1_k12
2
-5.3
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s74
Q28943
[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][C...
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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PVLSKDVADIESILALNPRTQSHAALHSTLAKKLDKKHWKRNPDKNCFHCEKLENNFDDIKHTTLGERGALREAMRCLKCADAPCQKSCPTHLDIKSFITSISNKNYYGAAKMIFSDNPLGLTCGMVCPTSDLCVGGCNLYATEEGSINIGGLQQFASEVFKAMNIPQIRNPCLPSQEKMPEAYSAKIALLGAGPASISCASFLARLGYSDITIFEKQEYVGGLSTSEIPQFRLPYDVVNFEIELMKDLGVKIICGKSLSENEITLNTLKEEGYKAAFIGIGLPEPKTDDIFQGLTQDQGFYTSKDFLPLVAKSSKAGMC...
7LJT_2_k12
1
-12.5
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5951
P01902
[C@@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][OH0][H]
N[C@@H](CO)C(=O)O
NdLaIaGaRaHeLfReLeGeSdVdEdEqQpPqFqMwFdFaAdTpEdGdCdEdGwNpDvCrWiSdGhMlVlNsDvMvVvVvKvLvScEvDvLrGhFyThYyEtYyIdQwPfDpDlRnKaFcGwAdLqNdKvTvTvNrEdWmNgGtMpIlRnDcLqLlDvDvKvTgDfMkIyArItDqLaSwTdNdSdArRsKvSvAfIwDdYwSaFaPfFlMfDkAkGfIkKwAkVkVaKfGaEpGdTdTpLfNaQaVvLlEcLvLvDvQdDdKqYaKaWeGeVeIeGpSrRhHvPvElTvLvLlKcTpHdRpDpScRsYsSvRvLnVhDv...
NLIGRHLRLGSVEEQPFMFFATEGCEGNDCWSGMVNDMVVKLSEDLGFTYEYIQPDDRKFGALNKTTNEWNGMIRDLLDDKTDMIAIDLSTNSARKSAIDYSFPFMDAGIKAVVKGEGTTLNQVLELLDQDKYKWGVIGSRHPETLLKTHRDSRYSRLVDEGVELKDLNHAIETLRGGLFVFIDEGPVLAHNLISDCDVFSVGEEFQSFEYAFGLPKDSPYKSLIDSHLLKFREEGFIDILWEKWSS
4YKK_2_k12
0
-4.6
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6665
P07550
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][C@@H1][CH2][CH2][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][N][Ring1][=Branch1][CH3][CH2][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH3]
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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6OBA_1_k12
1
-8
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s1
P0C6U8
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch1][=C][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][#Branch2][OH0][C@@H1][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H...
CCCCCCCCCCCCO[C@@H]1O[C@@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O
GdRqEaQaWaApSdRpLcGlFlIlLvAlAlMlGlSqAqVdGaLcGlNlIfWqRvFlSqYqVlTcGqEqNlGqGaAaAvFlLvLvVlYlLvGvFcIcAvLlIqGvIlPlIlVlLlAlElFlTlIlGqRqRvAqQlSaDfAlVqGvSsFcEcKpLvApPnGpKdPpWlKsVvAlGqLvMlGlVlAvAlGlFlLlIvLlSlFqYlGlVlIvAlGlWvIlLvFvYlLlFvNcYlIvTvGvQvLlWlSdAaPdApEcGgFlGvGrFvFvElGvFqIlAqNpPqTpLsPsLlFvWsQsAvLvFlMlIvAlTlIlWvIqVlAqIvGh...
GREQWASRLGFILAAMGSAVGLGNIWRFSYVTGENGGAAFLLVYLGFIALIGIPIVLAEFTIGRRAQSDAVGSFEKLAPGKPWKVAGLMGVAAGFLILSFYGVIAGWILFYLFNYITGQLWSAPAEGFGGFFEGFIANPTLPLFWQALFMIATIWIVAIGVKKGIERSNKILMPLLGVLLIALAIYSLTLGGAKEGLAFLFSPDWSALKDPGVYLAAISQAFFTLSLGMGALITYGSYVSKDSRLPGAAVSVAGLDTAFAIIAGIMIFPAVFALGLSPSGGPGLVFVVLPDIFDSIRLGPIVGIAFFILLGAAALSSAVS...
6YU7_1_k12
2
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O34453
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
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5G67_3_k12
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723
P00509
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1AMR_2_k12
0
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s776
P03472
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5A02_1_k12
1
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s17
P00163
[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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DQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLDGVKPLILRDCSVAGWLLGNPMCDEFINVPEWSYIVEKANPVNDLCYPGDFNDYEELKHLLSRINHFEKIQIIPKSSWSSHEASLGVSSACPYQGKSSFFRNVVWLIKKNSTYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPRIATRSKVNGQSGRMEFFWTILKPNDAINFESNGNFIAPEYAYKIVKKGDSTIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVKSNRLVLATGLRNS...
4BGX_4_k12
0
-4.9
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s410
P9WFX9
[P@@][=Branch1][C][=OH0][Branch1][C][OH1][Branch2][Ring2][P][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][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][=CH1][CH1][=CH1][Ri...
NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@](=O)(O)O[P@@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCNC54)[C@H](O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
TdLaLqIcNpQdPpQvYpAvWcLlKvEvLlGvLdRdEqEeNaEfGqVwYdNfGlSdWgGhGaRdGaEdVkIdTwTaYaCfPqAqNfNrEgPtIhAhRiVyRrQfAhSdVvAvDsYlEvEvTlVlKvKsAqRlEvAlWlKvIvWqAqDpIdPqAlPlKvRlGlEvIlVlRlQvIlGlDvAlLlRvEvKcIlQqVsLlGlSvLlVlScLgElMqGnKaIaLsVvEvGsVsGvElVsQvElYlVsDvIlCsDvYvAlVnGvLvSlRvMpIdGfGdPdIfLdPdSdEpRdSpGlHkAtLkIgEkQgWwNaPfVlGaLeVeGeIe...
TLLINQPQYAWLKELGLREENEGVYNGSWGGRGEVITTYCPANNEPIARVRQASVADYEETVKKAREAWKIWADIPAPKRGEIVRQIGDALREKIQVLGSLVSLEMGKILVEGVGEVQEYVDICDYAVGLSRMIGGPILPSERSGHALIEQWNPVGLVGIITAFNFPVAVYGWNNAIAMICGNVCLWKGAPTTSLISVAVTKIIAKVLEDNKLPGAICSLTCGGADIGTAMAKDERVNLLSFTGSTQVGKQVGLMVQERFGRSLLELGGNNAIIAFEDADLSLVVPSALFAAVGTAGQRCTTARRLFIHESIHDEVVNRL...
6O4L_2_k12
1
-9.4
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s485
353574
[OH0][=CH0][Branch2][Ring1][#Branch1][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][NH0][Branch1][C][H][CH2][Ring1][#Branch2][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH1][Ring1][#Branch1]
NC1=CNCC(NC(=O)Nc2cccc(Cl)c2)=C1
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQaAaGpNnVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GH8_2_k12
2
-6.5
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753
Q40577
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdPvHpMdAdTlGlQlDqRfVkVkAkLkVkDfMfDaClFqFvVlQqVlEvQcRvQvNpPvHvLsRpNpKhPwCeAfVeVfQeYdKqSdWpKlGgGgGfItIqAtVtShYpEvAlRvAvFlGvVdTdRgSrMdWrAvDnDvAsKcKvLsCpPvDpLyLhLyAdQyVaRdEdSdRlGrKgAgNdLcTvKsYlRqEvAlSlVvEvVlMlEvIlMlSvRvFqAaVfIwEfRpApSdIsDgEmAiYmVgDtLcTgSvAvVlQlEvRvLlQvKvLvQvGlQpPqIdSdAcDvLlLaPqSqTeYaIeEpGpLdPdQdGdPdTdVdQd...
GPHMATGQDRVVALVDMDCFFVQVEQRQNPHLRNKPCAVVQYKSWKGGGIIAVSYEARAFGVTRSMWADDAKKLCPDLLLAQVRESRGKANLTKYREASVEVMEIMSRFAVIERASIDEAYVDLTSAVQERLQKLQGQPISADLLPSTYIEGLPQGPTVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTVGAVIVEEMRAAIERETGFQCSAGISHNKVLAKLACGLNKPNRQTLVSHGSVPQLFSQMPIRKIRSLGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMCRGIEHDPVKPRQLPKTIGCS...
7U7L_1_k12
0
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96523
P05979
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4CSY_2_k12
2
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753
P11309
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ZMF_1_k12
0
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174
S0EH60
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8DB0_3_k12
0
-3.4
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753
P42371
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3FFT_1_k12
0
-2.8
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s1033
O00255
[CH2][Branch1][#C][NH0][CH0][=Branch1][C][=OH0][CH1][Branch1][C][CH3][SH0][CH0][Ring1][#Branch1][=SH0][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
CC1SC(=S)N(CCS(O)(O)O)C1=O
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3F81_1_k12
0
-4.8
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5288834
P00761
[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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5H3I_1_k12
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