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
P0C6U8
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCfMkVkQwVkTaCaGdTpTaTiLaNiGwLgWaLaDfDfTkVtYkCfPfRlHvVsIlCdTdAvEvDcMqLqNpPpNdYsEvDvLsLvIvRpKdSdNqHvSsFmLwViQdAdGpNnVdQtLwRgVfIdGdHwSdMdQqNaCgLmLiRiLtKgVtDpTgStNrPpKsThPwKaYeKdFwVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAgMqRfPpNlHrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ
5N19_2_k12
0
-1.9
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1944
P80276
[CH0][Branch2][Ring1][Branch1][NH0][Branch1][P][CH0][=Branch1][C][=OH0][CH2][CH0][=CH0][Branch1][C][CH3][CH1][=CH1][CH1][=CH1][Ring1][#Branch1][H][=CH1][CH0][Branch1][C][CH3][=CH0][Branch2][Ring1][Ring1][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][Branch1][C][...
Cc1ccccc1CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)O)c(C)c1
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ASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY
1EKO_2_k12
1
-9.8
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3777159
P18031
[C@@][Branch1][=Branch2][N@@+1][Branch1][C][H][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
[NH3+]C(CO)(CO)CO
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5QEX_2_k12
0
-2.9
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s641
P22734
[CH1][Branch1][P][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH1][Branch1][C][CH3][SH0][Ring1][Branch2][NH0][Branch1][C][H][NH0][Branch1][C][H][CH0][Branch1][=N][C@H1][Branch1][C][CH3][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH1][Ring2][Ring1][#Branch1]
CC1=C(C2C=C([C@H](C)c3ccccc3)NN2)SC(C)N1
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5K0B_2_k12
1
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s76
Q47PU3
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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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2YM1_2_k12
1
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9958
P56262
[CH3][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][#Branch2]
Cc1ccc(O)c(O)c1
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2EHZ_1_k12
0
-4
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679
P0AEX9
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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7H1K_1_k12
0
-2
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1176
P29473
[CH0][=Branch1][C][=OH0][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][H]
NC(N)=O
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2YHC_1_k12
0
-2.3
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444885
Q8JUX6
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CC(=O)N[C@H]1[C@H]([C@H](O)[C@H](O)CO)O[C@@](O)(C(=O)O)C[C@@H]1O
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4D62_1_k12
0
-3.9
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753
P9WIL5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IPAFHPGELNVYSAPGDVADVSRALRLTGRRVMLVPTMGALHEGHLALVRAAKRVPGSVVVVSIFVNPMQFGAGGDLDAYPRTPDDDLAQLRAEGVEIAFTPTTAAMYPDGLRTTVQPGPLAAELEGGPRPTHFAGVLTVVLKLLQIVRPDRVFFGEKDYQQLVLIRQLVADFNLDVAVVGVPTVREADGLAMSSRNRYLDPAQRAAAVALSAALTAAAHAATAGAQAALDAARAVLDAAPGVAVDYLELRDIGLGPMPLNGSGRLLVAARLGTTRLLDNIAIEIGTFAIPAFHPGELNVYSAPGDVADVSRALRLTGRR...
1N2H_3_k12
0
-4.4
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6503
P0DTC1
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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PPAFTELQLPRYIMAGFPVCPKLSLEFGDPASSLFRWYKEAKPGAAEPEVGVPSSLSPSSPSSSWTETDVEERVYTPSNADIGLRLKLHCTPGDGQRFGHSRELESVCVVEAGPGTCTFDHRHLYTKKVTEDALIRTVSYNILADTYAQTEFSRTVLYPYCAPYALELDYRQNLIQKELTGYNADVICLQEVDRAVFSDSLVPALEAFGLEGVFRIKQHEGLATFYRKSKFSLLSQHDISFYEALESDPLHKELLEKLVLYPSAQEKVLQRSSVLQVSVLQSTKDSSKRICVANTHLYWHPKGGYIRLIQMAVALAHIRH...
4Z2B_1_k12
0
-2.7
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s148
P0A2K1
[CH2][Branch2][Ring2][Ring1][N+1][Branch1][C][H][=CH0][Branch2][Ring1][Branch1][CH2][C@H1][CH0][=CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH0][Ring1][=Branch1][=OH0][CH1][=CH1][CH1][=CH1][Ring1][#Branch2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH0][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H...
CC1=C(O)C(C[NH+]=C(C[C@@H]2C(=O)Nc3ccccc32)C(=O)O)=C(COP(=O)(O)O)CN1
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6XRH_2_k12
1
-12.5
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439357
O32156
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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2W7Y_3_k12
0
-4.9
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s526
P51449
[CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH0][Branch2][Ring1][C][CH0][=CH1][NH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][CH2][NH0][Ring1][#Branch2][H][SH0][CH0][Branch1][=C][CH0][=Branch1][=Branch1][=N+1][Branch1][C][H][H][NH0][Branch1][C][H][H][=CH1][Ring2][Ring1][=N]
NCCN1C=C(c2sc(C(N)=[NH2+])cc2-c2ccccc2)NC1
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GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWT
6RL4_1_k12
2
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s1
Q9SQL2
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5L8R_4_k12
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s859
P13922
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8JFD_1_k12
1
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s132
P22557
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CC1NC=C(COP(=O)(O)O)C(C=O)=C1O
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5QQY_1_k12
1
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444205
P01903
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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7PDY_3_k12
0
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79025
Q4D3W2
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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2XFD_1_k12
0
-4.6
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54311686
P24397
[CH0][Branch2][Ring1][Ring1][CH1][=CH1][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][#Branch2][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][Ring1][OH0][CH3][=CH1][CH0][Branch1][=Branch2][CH1][=CH1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][N]
COc1cc(C=Cc2cc(C=CC(=O)O)cc(OC)c2O)ccc1O
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AHFPDTPAFTGFNAPSRIECDIPNLVHEGTIPPELNGAFFRVQPDPQFPPRLGDDISFNGDGMITRFHIHDGQCDIKQRWAKTNKWKLENAAGKALFGSYRNPLTDDESVKGEYRSTANTNAFVFAGKLWAMKEDSPSLTMDPATMETFGFEKFGGKMTGQTFTAHPKVDPLTGNMVAIGYAASGLCTDDVCLYEISPDGELIYEAWFKVPYYCMMHDFGVTKDYLVLHIVPSIGSWDRLEKGLPHFGFDTTLPVYLGIIPRRADLKQEDIRWFKRENCFASHVMNAFQEGTKVHVDVPEAENNMFPFFPDVHGAPFNPQ...
6XM7_2_k12
1
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176
P21836
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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2PCN_1_k12
0
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679
Q9I6D1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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3X1J_2_k12
0
-1.8
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5997
M1MR49
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH0][=CH1][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=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
TdPfSdMdPpAvIqNdTaQfTkLkYfLwAfGkHkSaSvKvLlFdEdRpNqVkGaClVwKiTkRgYwLdNqQdTdGdDqWkVtTkRiSkLtIwYiVgFrTpFpDpTdEdPlWpVdTiQdAiGfAmFwQiVwKgWdEdPpYpSdPqLkLiRaViKgAgSdDpYcVcRcDvNpLnGvAdKdPrDiYwFgIwRpTdYdDgNnDfFkLtLkLtSwDdLdKpEdVpRlSiTmCiSiLiWiVgTgLpKvYdVlDqRhIdPdEvTvIvNvRvTvFqYvTvInChPhDrPmVdPgVrPhFdDdEpRsCsYdPpGdGd
TPSMPAINTQTLYLAGHSSKLFERNVGCVKTRYLNQTGDWVTRSLIYVFTFDTEPWVTQAGAFQVKWEPYSPLLRVKASDYVRDNLGAKPDYFIRTYDNDFLLLSDLKEVRSTCSLWVTLKYVDRIPETINRTFYTICPDPVPVPFDERCYPGG
4BOE_6_k12
1
-12
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s531
P62483
[C@@H1][Branch1][N][CH2][OH0][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H1][Branch1][O][OH0][P@@][Branch1][C][OH1][=Branch1][...
NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3OP(=O)(O)O)C2NCN1
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RTITYDVFLSFRGEDTRFNFTDHLYSALGRRGIRTFRDDKLRRGEAIAPELLKAIEESRSSVIVFSENYARSRWCLDELVKIMECHKDKKDPGHAVFPIFYHVDPSHVRKQEGSFGEAFAGYGENLKDKIPRWRTALTEAANLSGWPLQDGYESNQIKEITDSIFRRLK
6O0W_1_k12
1
-8.3
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176
Q91ZW2
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MGPCDIYEAGDTPCVAAHSTTRALYSSFSGALYQLQRGSDDTTTTISPLTAGGIADASAQDTFCANTTCLITIIYDQSGNGNHLTQAPPGGFDGPDTDGYDNLASAIGAPVTLNGQKAYGVFMSPGTGYRNNEATGTATGDEAEGMYAVLDGTHYNDACCFDYGNAETSSTDTGAGHMEAIYLGNSTTWGYGAGDGPWIMVDMQNNLFSGADEGYNSGDPSISYRFVTAAVKGGADKWAIRGANAASGSLSTYYSGARPDYSGYNPMSKEGAIILGIGGDNSNGAQGTFYEGVMTSGYPSDDTENSVQENIVAAKYVVGS...
6SXR_7_k12
0
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12388
P33517
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
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2GSM_2_k12
2
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s734
P41595
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CC[C@@H](CO)NC(O)[C@@H]1C[C@@H]2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1
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6DRY_1_k12
1
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174
830652
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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TTLLNPYFGEFGGMYVPQILMPALNQLEEAFVSAQKDPEFQAQFADLLKNYAGRPTALTKCQNITAGTRTTLYLKREDLLHGGAHKTNQVLGQALLAKRMGKSEIIAETGAGQHGVASALASALLGLKCRIYMGAKDVERQSPNVFRMRLMGAEVIPVHSGSATLKDACNEALRDWSGSYETAHYMLGTAAGPHPYPTIVREFQRMIGEETKAQILDKEGRLPDAVIACVGGGSNAIGMFADFINDTSVGLIGVEPGGHGIETGEHGAPLKHGRVGIYFGMKAPMMQTADGQIEESYSISAGLDFPSVGPQHAYLNSIGR...
7JLL_3_k12
0
-2
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753
Q8Y8D7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYATWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED
6PFW_2_k12
0
-3
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2879
A5UQS8
[CH3][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2]
Cc1ccc(O)cc1
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SLLQATVAKIMRPDTVIKDQVKTKLAGVLQSAGSLGRLEDMVEQYAGITGELNPALPKPCMVVASADHGVARRVVSAYPIETTIHMTANYLISQGASANAFANFCGADMVVVDMGVAGDLSYVPGLWHRKIAYGTQDFTEGPAMTREQAIQAVETGIDIVNDRVKHGNRCFCLGEMGIGNTTSSATIVGAFTGLAPEKVTGRKTKMEIVGRALAVNKPNPQDGLDVLAKVGGFELGALAGVILGSAANRCAVVIDGLNTTAAALIANVIHPLSKEYMFASHLSGEPAHSIALRQLQLEACLELGVRLGEGIGASMVVDML...
4HDM_1_k12
2
-5.1
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79335
P18946
[CH0][Branch1][C][BrH0][=CH1][CH1][=CH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][SH0][Ring1][=Branch2]
CC(=O)c1ccc(Br)s1
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4Z83_1_k12
0
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164513437
Q9L4P2
[CH2][C@@H1][Branch1][Ring2][SH0][CH2][CH3][CH1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch1][C][H][C@H1][Ring1][=N][C@@H1][Branch1][#Branch1][C@@H1][Branch1][C][CH3][OH0][H][CH1][=OH0]
CCS[C@@H]1C[C@H]([C@H](C=O)[C@@H](C)O)NC1C(=O)O
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7RP9_3_k12
2
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6228
P16099
[NH0][Branch1][C][CH3][Branch1][C][CH3][CH1][=OH0]
CN(C)C=O
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ISPEQAMRERSELARKGIARAKSVVALAYAGGVLFVAENPSRSLQKISELYDRVGFAAAGKFNEFDNLRRGGIQFADTRGYAYDRRDVTGRQLANVYAQTLGTIFTEQAKPYEVELCVAEVAHYGETKRPELYRITYDGSIADEPHFVVMGGTTEPIANALKESYAENASLTDALRIAVAALRAGGVASLEVAVLDANRPRRAFRRITGSALQALL
3H6I_1_k12
0
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444205
B4RNT1
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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LKIAAFNIRTFGETKMSNATLASYIVRIVRRYDIVLIQEVRDSHLVAVGKLLDYLNQDDPNTYHYVVSEPLGRNSYKERYLFLFRPNKVSVLDTYQYDDGCESCGNDSFSREPAVVKFSSHSTKVKEFAIVALHSAPSDAVAEINSLYDVYLDVQQKWHLNDVMLMGDFNADCSYVTSSQWSSIRLRTSSTFQWLIPDSADTTATSTNCAYDRIVVAGSLLQSSVVPGSAAPFDFQAAYGLSNEMALAISDHYPVEVTLT
2A41_1_k12
0
-3
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8117
P0AGJ7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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MDERDALRISREIAGEVRKAIASMPLRERVKDVGMGKDGTPTKAADRVAEDAALEILRKERVTVVTEESGVLGEGDVFVALDPLDGTFNATRGIPVYSVSLCFSYSDKLKDAFFGYVYNLATGDEYYADSSGAYRNGERIEVSDAEELYCNAIIYYPDRKFPFKRMRIFGSAATELCFFADGSFDCFLDIRPGKMLRIYDAAAGVFIAEKAGGKVTELDGESLGNKKFDMQERLNIVAANEKLHPKLLELIK
6B60_1_k12
0
-2.5
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878
Q05031
[CH3][SH0][H]
CS
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3AEL_2_k12
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160024
Q32ZE1
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3H4G_2_k12
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s440
P39051
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5SA0_3_k12
1
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657068
P13513
[NH0][Branch1][C][CH3][Branch1][N][C@H1][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][Ring1][#Branch1][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH3]
CC(C)=CCCN(C)[C@@H]1CC=C(C)CC1
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1YYU_1_k12
2
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101053296
P05097
[C@H1][Branch1][=Branch2][OH0][CH2][CH0][=Branch1][C][=OH0][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][Branch1]
O=C(O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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5OO2_3_k12
1
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702
Q76LV2
[OH0][Branch1][C][H][CH2][CH3]
CCO
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4OEH_5_k12
0
-2
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12308755
P23687
[C@H1][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#C][OH0][H]
O=C1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
AdLaGeVeAeLeIeGdTcGpFpMvGsKvClHlAlMvAlWlRqNcVlAcTlAlFpGnGdLdPrPyRaLqEaVeLyAeDdMpPdAqDvKvAqHqSvLvAcSvSvFsGvFyApRgGyTdApDdWvRlEcArVlSqDdPpAsVhDaVeVySeIyTdTdPaNqGaLcHqRlEvMsAlElAsAnLlAvAsGlKhHaVyWeLyEeKfPdMnAhLqSaVlEvDsAlQvAvMsElAvAsAvRvAvSrDpRhRaTyIaIyGdYlNlYvTcRqSfPlAqFlRqAvAlVlDvLcIvAvEvGcAlIqGpRaPfIaHeFkReGwMeYwDeEaDa...
ALGVALIGTGFMGKCHAMAWRNVATAFGGLPPRLEVLADMPADKAHSLASSFGFARGTADWREAVSDPAVDVVSITTPNGLHREMAEAALAAGKHVWLEKPMALSVEDAQAMEAAARASDRRTIIGYNYTRSPAFRAAVDLIAEGAIGRPIHFRGMYDEDYMADPDLPWSWRLTRKDGGLGALGDLGCHLVSVMVSLMGPVARVYAQADTVITDRPHQGGTARVENEDQAQALIRFASGTSGEFSCSRVARGYRCRLAWEVQGTEGTLRFDQERMNELWLYQPGRPEIDGFRRILTGPAQPGFAAFCPGGGHNFGFNEQK...
5YAQ_2_k12
2
-5.9
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356
P53686
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCC
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AEIYNKDGNKVDLYGKAVGLHYFSKGNGENSYGGNGDMTYARLGFKGETQINSDLTGYGQWEYNFQGNNSEGADAQTGNKTRLAFAGLKYADVGSFDYGRNYGVVYDALGYTDMLPEFGGDTAYSDDFFVGRVGGVATYRNSNFFGLVDGLNFAVQYLGKNERDTARRSNGDGVGGSISYEYEGFGIVGAYGAADRTNLQEAQPLGNGKKAEQWATGLKYDANNIYLAANYGETRNATPITNKFTNTSGFANKTQDVLLVAQYQFDFGLRPSIAYTKSKAKDVEGIGDVDLVNYFEVGATYYFNKNMSTYVDYIINQIDS...
3POX_1_k12
0
-3.1
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s172
P26281
[C@H1][Branch2][Ring1][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][Branch2][Ring1][Ring2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][C...
CCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@H](O)CO
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3MTX_1_k12
1
-7.3
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13342
Q6P9V9
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5J2T_2_k12
1
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s604
492618
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CC1=C(CCO)SCN1CC1=CNC(C)NC1N
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4KYS_1_k12
1
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753
P77989
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7XYR_1_k12
0
-3.9
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8200
Q9WYT0
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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5LPK_3_k12
0
-3.1
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753
Q04081
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MIKEYRTIKEVVGPLMAVEKVSGVKYEELIEVRMQNGEIRRGQVLEVQEDKAMVQIFEGTSGINLKNSSVRFLGHPLQLGVSEDMIGRVFDGLGRPKDNGPEILPEKYLDINGEVINPIARDYPDEFIQTGISAIDHLNTLVRGQKLPVFSGSGLPHKELAAQIARQATVLDSSDDFAVVFAAIGITFEEAEFFMEDFRQTGAIDRSVMFMNLANDPAIERIATPRMALTAAEYLAYEKGMHVLVIMTDMTNYAEALREISAARREVPGRRGYPGYLYTNLATLFERAGRIRGLKGSVTQIPILTMPEDDKTHPIPDLTG...
5KND_2_k12
0
-3.2
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s15
Q9Y6M4
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COc1ccc(N[C@@H]2NC(N)=C(C(=O)c3ccc(OC)cc3)S2)cc1
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2IZR_1_k12
1
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s255
P25774
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NC1=C2NCN([C@@H]3O[C@@H](CO)[C@@H](O)[C@H]3O)C2NCN1
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2PKM_1_k12
1
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679
P15379
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5SC0_3_k12
0
-2.5
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444205
Q05769
[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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6CXE_2_k12
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444279
P0C0Y9
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1RVJ_1_k12
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s604
Q8NK89
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5HMI_1_k12
1
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176
Q5R774
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6FMP_1_k12
0
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1567
P28823
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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MGAPITAYAQQTRGLLGCIITSLTGRDKNQVEGEVQIVSTATQTFLATCINGVCWTVYHGAGTRTIASPKGPVIQMYTNVDQDLVGWPAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSSGGPLLCPAGHAVGLFRAAVCTRGVAKAVDFIPVENLETTMRSKGSVVIVGRIVLSGKPAIIPKK
2OC8_2_k12
0
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90655273
P09211
[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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1MD3_1_k12
0
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6503
P29476
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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TVGAVALDLDGNLAAATSTGGMTNKLPGRVGDSPLVGAGCYANNASVAVSCTGTGEVFIRALAAYDIAALMDYGGLSLAEACERVVMEKLPALGGSGGLIAIDHEGNVALPFNTEGMYRAWGYAGDTPTTGIYREGKAVIAIHGGAGAISRAQMSLQQELRYIEALSAIVETGQKMLEAGESALDVVTEAVRLLEECPLFNAGIGAVFTRDETHELDACVMDGNTLKAGAVAGVSHLRNPVLAARLVMEQSPHVMMIGEGAENFAFARGMERVSPEIFSTSLRYEQLLAAR
2ZAL_2_k12
0
-4.1
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867
E1XUJ2
[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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7AD2_1_k12
0
-3
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174
P01031
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5HCC_2_k12
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s195
B3EWQ9
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8HFJ_1_k12
1
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445318
Q13336
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6QD5_1_k12
2
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
P07602
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdGfFcCqEvVvCqKlKqLqVlGvYqLvDvRvNvLdEdKlNqSdTdKlQvEvIsLvAvAsLlEvKvGrClSvFpLdPdDpPvYcQnKvQvCsDvQvFvVcAvEvYcEvPvVvLvIsEvIcLsVnEpVdMsDnPsSnFvVsCcLvKvIsGpArCpPdSd
AGFCEVCKKLVGYLDRNLEKNSTKQEILAALEKGCSFLPDPYQKQCDQFVAEYEPVLIEILVEVMDPSFVCLKIGACPS
2RB3_1_k12
0
-2.6
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0]
174
P62594
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
IdVaGqGwTdAfSdVdRqGlEpWqPqWqQkVkTfLkHwTfTpSpPpThQtRdHtLqCeGiGwSgIaIaGfNfQfWkIiLkTfAfAlHvCsFcYpGvVvEpSdPlKqIrLiRwViYdStGlIaLfNfQpSvEcIdKdEpDpTrSdFtFwGrVfQpEdIkIaIqHqDvQvYdKdMaAlElSqGaYsDgImAiLmLtKgLtEpTdTtVdGdYdGdDsSrQhRdPgIaCaLaPqSdKlGvDnRvNpVdIaYfTdDfCkWkVqTkGfWqGaYaRnKfLaRpDgKdIrQhNgTgLiQtKiAdKtIwPhLwVdTdNlEvElCqQcKv...
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
4Y8Y_1_k12
0
-1.9
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
81462
P41365
[C@@][Branch1][N][NH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
OCCN(CCO)C(CO)(CO)CO
GdPdKdQdNdCfEaPaDdLdMdPpYvAcRlPlFqAqVaGqKdRaTgCpSvGgIgVrGhLaPdSaGdSaDaPdAdFaSpQdPdKlSvVvLlDlAvGqLkTdCwQpGpAdSdPlSlSaVfSaKqPeIeLeLeVePeGaTaGqTaTaGrPcQvSqFdDvSlNhWvIcPvLlSvAvQvLvGpYhTtPyCmWyIgSgPpPpPpFrMnLlNaDaTlQvVnNsTlEvYsMvVvNsAsIlTvTrLnYcAnGnSnGpNnNaKaLhPaVyLeTyWaSeQcGrGvLlVsAvQlWvGcLvTrFrFhPnSvIcRlSvKrVhDqRaLyMeAyFf...
GPKQNCEPDLMPYARPFAVGKRTCSGIVGLPSGSDPAFSQPKSVLDAGLTCQGASPSSVSKPILLVPGTGTTGPQSFDSNWIPLSAQLGYTPCWISPPPFMLNDTQVNTEYMVNAITTLYAGSGNNKLPVLTWSQGGLVAQWGLTFFPSIRSKVDRLMAFAPDYKGTVLAAVSAPSVWQQTTGSALTTALRNAGGLTQIVPTTNLYSATDEIVQPQVSNSPLDSSYLFNGKNVQAQAVCGPLFVIDHAGSLTSQFSYVVGRSALRSTTGQARSADYGITDCNPLPAND
3ICV_2_k12
0
-3.3
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
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49866679
A7LXT0
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5JOV_3_k12
2
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s254
P24941
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COC1=C(C(C)C)C=C(Oc2c(Cl)cc(NC(=O)CC3CCN(S(C)(=O)=O)CC3)cc2Cl)CN1
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7KXF_1_k12
1
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753
Q84P54
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3RDK_3_k12
0
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8445
P00374
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7Q2D_1_k12
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8761
P0C6U8
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O=C(O)CN(CCO)CCO
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6AE8_1_k12
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445184
P08191
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54751677
P23470
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Nc1cccc(S(=O)(=O)NC(=O)c2sccc2SCc2ccc(Cl)c(Cl)c2)c1
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MEAIPVKQFVKHIGELYSNNQHGFSEDFEEVQRCTADMNITAEHSNHPENKHKNRYINILAYDHSRVKLRPLPSKHSDYINANYVDGYNKAKAYIATQGPLKSTFEDFWRMIWEQNTGIIVMITNLVEKGRRKCDQYWPTENSEEYGNIIVTLKSTKIHACYTVRRFSIRNTKVKQNERVVIQYHYTQWPDMGVPEYALPVLTFVRRSSAARMPETGPVLVHCSAGVGRTGTYIVIDSMLQQIKDKSTVNVLGFLKHIRTQRNYLVQTEEQYIFIHDALLEAILG
3QCI_1_k12
1
-9.9
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174
Q07820
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4U1I_2_k12
0
-2.9
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s428
Q32E34
[CH2][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][=N][CH2][OH0][CH2][CH2][P@][Branch1][C][OH1][Branch1][C][OH1][=OH0][OH0][CH2][CH2][P@][=Branch...
NC1NC(=O)C2=C(N1)N(C[C@@H](COCCP(=O)(O)O)OCCP(=O)(O)O)CN2
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6AQO_1_k12
1
-7.6
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[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SLTHRKFGGSGGSPFSGLSSIAVRSGSYLDAIIIDGVHHGGSGGNLSPTFTFGSGEYISNMTIRSGDYIDNISFETNMGRRFGPYGGSGGSANTLSNVKVIQINGSAGDYLDSLDIYYEQYSLTHRKFGGSGGSPFSGLSSIAVRSGSYLDAIIIDGVHHGGSGGNLSPTFTFGSGEYISNMTIRSGDYIDNISFETNMGRRFGPYGGSGGSANTLSNVKVIQINGSAGDYLDSLDIYYEQY
2GUE_1_k12
0
-2.8
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753
O08342
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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PRKAGVFSDLSNQELKAVHSFLWSKKELRLQPSSTTTMAKNTVFLIEMLLPKKYHVLRFLDKGERHPVREARAVIFFGDQEHPNVTEFAVGPLPGPCYMRALSPRPGYQSSWASRPISTAEYALLYHTLQEATKPLHQFFLNTTGFSFQDCHDRCLAFTDVAPRGVASGQRRSWLIIQRYVEGYFLHPTGLELLVDHGSTDAGHWAVEQVWYNGKFYGSPEELARKYADGEVDVVVLEDPLEPPLFSSHKPRGDFPSPIHVSGPRLVQPHGPRFRLEGNAVLYGGWSFAFRLRSSSGLQVLNVHFGGERIAYEVSVQEAV...
3HII_1_k12
0
-3.4
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311
P18031
[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
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6HXK_2_k12
2
-5
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5288834
P0DTC1
[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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SLTDLVEQPAKVMRIGTMIKQLLEEVRAAPLDEASRNRLRDIHATSIRELEDGLAPELREELDRLTLPFNEDAVPSDAELRIAQAQLVGWLEGLFHGIQTALFAQQMAARA
5IET_1_k12
0
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s48
P00327
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STAGKVIKCKAAVLWEEKKPFSIEEVEVAPPKAHEVRIKMVATGICRSDDHVVSGTLVTPLPVIAGHEAAGIVESIGEGVTTVRPGDKVIPLATPQCGKCRVCKHPEGNFCLKNDLSMPRGTMQDGTSRFTCRGKPIHHFLGTSTFSQYTVVDEISVAKIDAASPLEKVCLIGCGFSTGYGSAVKVAKVTQGSTCAVFGLGGVGLSVIMGCKAAGAARIIGVDINKDKFAKAKEVGATECVNPQDYKKPIQEVLTEMSNGGVDFSFEVIGRLDTMVTALSCCQEAYGVSVIVGVPPDSQNLSMNPMLLLSGRTWKGAIFG...
1MGO_1_k12
1
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s27
Q9I685
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8CFH_1_k12
1
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753
Q05528
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3MFF_3_k12
0
-3.2
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753
O57899
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SRFKVSKLMAYILAHSPWEFGLEPDEEGFVSIEELVNAVRKVYPWVTEEYIREIVERDEKGRYEIRGNKIRARYGHSYPVILRHEEDKESKVLYHGTVRRNLKGIMREGIKPGKRQYVHLSINYEDAYNTGMRHGEDVVVLIIDAECLRNKGYKILKAGKKVRIVKHVPVDCISGIL
8TFZ_2_k12
0
-2.9
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6503
P51449
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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PRLCYLVKEGGSYGFSLKTVQGKKGVYMTDITPQGVAMRAGVLADDHLIEVNGENVEDASHEEVVEKVKKSGSRVMFLLVDKKITKF
4Q2P_1_k12
0
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s640
511315
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6WML_4_k12
1
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s589
Q92630
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7DL6_1_k12
1
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62551
P42556
[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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3IE5_2_k12
0
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3OMO_1_k12
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Q96DC9
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[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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NALTGIELYKAKKYEQAMTHLMTPDAQKNPAAQNLIGYLYDKGLGVEKNAEIANQWYLKAAEQGFAKAQFNLGLSYEKGTGISKNMVEAVKWYRKAAEQNHAKAEMKMGYLTVEGIGTQKNYKEALQWYRRAAEHGDNRAYADIGLFYDQGNGVKKDPNRAVQYYIMGAEKGDGEAQLFLADCYAKASGIPYDADRALYWYKESAKNGNITAMKVLSGIYKQLGIEKNPEKSRHWLEMAKQKENADNALTGIELYKAKKYEQAMTHLMTPDAQKNPAAQNLIGYLYDKGLGVEKNAEIANQWYLKAAEQGFAKAQFNLGL...
6UR7_3_k12
0
-3.4
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176
O00305
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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PRGFARGLDPERIIGATDSSGELMFLMKWKDSDEADLVLAKEANMKCPQIVIAFYEERLTWHS
6HW2_2_k12
0
-1.9
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
1005
P0AB91
[CH0][=Branch1][C][=CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
C=C(OP(=O)(O)O)C(=O)O
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HYPTDDIKIKEVKELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWAGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHFLSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDKPEVYGKSIT...
5D05_1_k12
2
-5.6
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s590
P0DOX7
[C@H1][Branch1][Ring2][CH2][OH0][H][CH2][CH2][NH0][C@H1][Ring1][Branch2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][=Branch2][CH2][OH0][H]
OC[C@H]1CCN2[C@H]1[C@@H](O)[C@H](O)[C@H]2CO
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2WYN_1_k12
1
-7.1
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