Datasets:
Zhaohan-Meng
/
InteractBind

Dataset card Data Studio Files
xet
 Community
1
pubchem_id
string
uniprot_id
string
selfies
string
smiles
string
saprot
string
fasta
string
att_site
string
label
int64
affinity
float64
Hydrogen bonding_binding_site
string
Salt Bridges_binding_site
string
π–π Stacking_binding_site
string
Cation–π_binding_site
string
Hydrophobic_binding_site
string
Van der Waals_binding_site
string
Overall_binding_site
string
753
P00338
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdTqGlQlDqRfVkVkAkLkVkDfMfDaCqFqFvVqQqVlEvQcRvQvNpPvHvLsRpNpKhPwCeAfVeVfQeYdKcSpWpKlGgGgGfItIqAtVtShYpEnAlRvAvFlGvVdTdRgSrMdWrApDnDvAsKcKvLsCpPvDpLyLyLyAdQyVaRdEdSdRpGnKhArNdLcTvKsYlRqEvAlSlVvEqVlMlEvIlMvSvRvFqAaVqIwEfRcApSdIsDgEmAiYmVgDtLcTrSvAvVlQlEvRvLcQvKvLcQpGpQpPaIdSdAcDvLlLaPqSfTeYaIeEpGpLdPdQpGpVdQdKdEsGvMrRrKv...
ATGQDRVVALVDMDCFFVQVEQRQNPHLRNKPCAVVQYKSWKGGGIIAVSYEARAFGVTRSMWADDAKKLCPDLLLAQVRESRGKANLTKYREASVEVMEIMSRFAVIERASIDEAYVDLTSAVQERLQKLQGQPISADLLPSTYIEGLPQGVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTVGAVIVEEMRAAIERETGFQCSAGISHNKVLAKLACGLNKPNRQTLVSHGSVPQLFSQMPIRKIRSLGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMCRGIEHDPVKPRQLPKTIGCSKNFPGK...
9CI9_2_k12
0
-2.7
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174
Q9I685
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdApGpPfEdMdVdRpGpQdVtFdDrVpGpPdRqYwTaNpLwSdYwIdGdEdGdApYfGkMtVkCiSwAtYqDgNvVpNvKrVdRiVwAiIkKiKkIgSqPqFlEvHdQlTlYsClQlRlTlLlRqEqIlKvIvLqLcRqFdRdHdEqNqIaIwGhIfNpDaIkIdRaAdPpTdIlEvQrMgKrDiViYmItViQtDhLdMaEdTaDwLqYlKvLcLlKvTpQdHqLdSdNlDvHlIlClYvFqLlYlQsIvLlRlGqLlKqYqIcHvSlAlNqVkLaHqRqDdLdKdPrSrNqLwLgLaNhTpTvCgDrLiKhIgCdDr...
GAGPEMVRGQVFDVGPRYTNLSYIGEGAYGMVCSAYDNVNKVRVAIKKISPFEHQTYCQRTLREIKILLRFRHENIIGINDIIRAPTIEQMKDVYIVQDLMETDLYKLLKTQHLSNDHICYFLYQILRGLKYIHSANVLHRDLKPSNLLLNTTCDLKICDFGLARVAATRWYRAPEIMLYTKSIDIWSVGCILAEMLSNRPIFPGKHYLDQLNHILGILGSPSQEDLNCIINLKARNYLLSLPHKNKVPWNRLFPNADSKALDLLDKMLTFNPHKRIEVEQALAHPYLEQYYDPSDEPIAEAPFKFDMELDDLPKEKLKE...
4FV9_2_k12
0
-2.2
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6503
P62695
[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
MdAlSlMvEvMlEvKvEvFlEvQvIcDvKvSvGvScWlAqAvIlYvQvDvIlRqHvEpAaSdDdFaPdCqRvVlAcKpLdPpKvNnKpNvRqNaRpYdRpDpVfSaPwFhDpHvSfRaIqKfLqHdQdEpDdNrDrYdIhNrAwSgLwIqKcMpEpElAlQrRaSiYaIiLfThQaGaPgLdPpNvTcClGlHvFvWvEsMsVcWvEvQqKqSfRqGeVeVeMeLeNeRdVcMaEaKpGrShLgKqChAdQpYsWaPdQpKdEqEvKdEwMdIaFdEvDvTqNqLkKiLkTgLfIpSdEkDdIdKdSdYfYwTiVkRtQw...
MASMEMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFRFKVNESGSLSPEHGPVVVHCSAGIGRSGTYCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKF
7MOU_1_k12
0
-2.9
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767
P30180
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5TG5_1_k12
0
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s17
Q9FWY7
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2C2S_1_k12
1
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s142
P29808
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7Q10_4_k12
1
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64960
A7LXU3
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3OGR_5_k12
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753
P27198
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6MX2_1_k12
0
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679
642261
[OH0][=S@@][Branch1][C][CH3][CH3]
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5S79_3_k12
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445395
Q8JUX6
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5ZFB_1_k12
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s433
P09211
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2NTO_1_k12
0
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I6Y9J2
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s803
O30511
[CH2][NH0][Branch1][C][H][CH1][CH0][=Branch2][Ring1][#C][=CH0][Branch1][=N][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][C][CH3][=CH1][Ring1][#Branch1][NH0][Branch1][C][H][NH0][Ring1][=C][C@][Branch1][C][CH3][Branch1][C][CH3][CH3][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Ring2][Ring1][#Branch2][H]
Cc1cccc(CC2=C3C(N)NCNC3N(C(C)(C)C)N2)c1
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4LGG_1_k12
1
-7.9
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s1062
P08716
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CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](COP(=O)(O)O)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
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TGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFG
2ZFE_2_k12
0
-3.8
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52946595
P11986
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8HE9_2_k12
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4ZGF_3_k12
0
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444205
Q6PCN3
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2Z80_1_k12
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447053
P22303
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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6WVO_5_k12
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174
P24941
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3PY0_2_k12
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124886
Q2G506
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N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)O)C(=O)O
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4MRP_2_k12
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8200
P49773
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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8CO7_3_k12
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s116
P55245
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7A6J_2_k12
1
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64689
P24627
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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3KJ7_3_k12
0
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445184
P0DTC2
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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7LDJ_1_k12
0
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s333
P9WQD9
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CCCCS(=O)(=O)NC1=CCC2=CNN(C)C2=C1
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PSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSACSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAAEA...
5LD8_1_k12
1
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73169861
P42330
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2FGB_2_k12
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174
Q15116
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8CNO_1_k12
0
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78225628
Q60182
[CH2][Branch1][=N][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][CH2][S@@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCNC1CCCCC1
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7EMO_3_k12
0
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679
P0AEX9
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSlEvDcMqLaNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQgAqGpNnVdQtLfRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GEA_1_k12
0
-2
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s686
755471
[C@@H1][Branch2][Ring2][=Branch2][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][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][Branch1][Ring1][OH0][H][OH0][Ring1][O][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Bra...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]4O[C@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2NCN1
PdFvTpAdDcKlGdKaCaGaLfPaEfIdFaDdPdPdEvErLlElRvKlVlWvEvLvAlRvLqVlWlQvSwSpSaVeVeFeHeTeGaApGlIqSqTvAvSqGfIgPaDhFdRrGhPnHqGhVqWvTrMqEvEvRvGvLhAhPrKgFgDpTdTdFlElSpAgRaPgTaQlTlHlMlAlLqVqQqLcEvRqVqGpLsLhRqFaLyVeSyQcNdVqDsGcLnHnVqRqSlGaFrPaRqDvKrLyAqEnLfHqGfNhMqFqVwEwEaCfApKpCpKrTdQiYdVrRhDsTdVgVqGpTdMaGqLfKdAfTsGpRaLaCdTdVpAc...
PFTADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTG...
6ZU4_2_k12
1
-12.2
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448399
I6YDK7
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch1][=Branch2][SH0][CH2][CH1][=CH0][Branch1][C][CH3][CH3][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
CC(C)=CCS[P@](=O)(O)OP(=O)(O)O
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5KCL_1_k12
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s135
P14639
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COc1ccccc1N1C(c2cc(O)ccc2C)=CN2C3=C(O)NC(O)N(C)C3N[C@H]21
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4GK2_1_k12
1
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8117
C1CRR9
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6YJ8_2_k12
0
-3.1
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446996
Q9Y3Z3
[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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GDKICLGHHAVANGTKVNTLTERGIEVVNATETVETTNIKKICTQGKRPTDLGQCGLLGTLIGPPQCDQFLEFSSDLIIERREGTDICYPGRFTNEESLRQILRRSGGIGKESMGFTYSGIRTNGATSACTRSGSSFYAEMKWLLSNSDNAAFPQMTKAYRNPRNKPALIIWGVHHSESVSEQTKLYGSGNKLITVRSSKYQQSFTPNPGARRIDFHWLLLDPNDTVTFTFNGAFIAPDRTSFFRGESLGVQSDAPLDSSCRGDCFHSGGTIVSSLPFQNINSRTVGKCPRYVKQKSLLLATGMRNVPEK
3M5H_3_k12
0
-4
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s45
P00782
[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][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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LANSVIDLIGNTPLVKINNIDTFGNEIYVKLEGSNPGRSTKDRIALKMIEEAEKEGLIDKDTVIIEATSGNTGIGLAMICAVKNYKLKIVMPDTMSIERIQLMRAYGTEVILTDGSLGMKACLEKLEELKKNEKKYFVPNQFTNVNNPKAHYETTAEEILKDLNNKVDVFICGTGTGGSFSGTAKKLKEKLPNIKTFPVEPASSPLLSKGYIGPHKIQGMGMSIGGIPAVYDGSLADDILVCEDDDAFEMMRELSFKEGILGGISTGATFKAALDYSKENADKGLKIVVLSTDSGEKYL
5XEO_3_k12
0
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444205
P30291
[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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SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGV...
2XI4_4_k12
0
-3.7
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444205
O15394
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2XYC_2_k12
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867
P08473
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5HGZ_1_k12
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753
P02883
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5KVZ_2_k12
0
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445887
P27918
[CH1][=Branch1][=Branch2][=CH0][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OC=C(O)CO
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CHPRLSLHRPALEDLLLGSEANLTCTLTGLRDASGVTFTWTPSSGKSAVQGPPERDLCGCYSVSSVLPGCAEPWNHGKTFTCTAAYPESKTPLTATLSKSGNTFRPEVHLLPPPSEELALNELVTLTCLARGFSPKDVLVRWLQGSQELPREKYLTWASRQEPSQGTTTFAVTSILRVAAEDWKKGDTFSCMVGHEALPLAFTQKTIDR
2QEJ_1_k12
0
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12227523
P09147
[NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Ring1][=C][=OH0]
Nc1cc2ccccc2c(=O)[nH]1
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4N6G_1_k12
2
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5232593
P34266
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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5W4A_3_k12
0
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s730
I6Y9J2
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C[C@@H]1[C@H]([C@H](C=O)[C@H](C)O)N[C@H](C(=O)O)[C@@H]1Sc1c[nH]c2ccccc12
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LVPKLTASVTDGAVGVTVDAPVSVTAADGVLAAVTMVNDNGRPVAGRLSPDGLRWSTTEQLGYNRRYTLNATALGLGGAATRQLTFQTSSPAHLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEV...
5K69_1_k12
1
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444205
A0A024SH76
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1BY2_1_k12
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36688829
Q94KL8
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2BGM_1_k12
1
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91202491
P13922
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7D5C_1_k12
1
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753
Q99685
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LVPKLTASVTDGAVGVTVDAPVSVTAADGVLAAVTMVNDNGRPVAGRLSPDGLRWSTTEQLGYNRRYTLNATALGLGGAATRQLTFQTSSPAHLTMPYVMPGDGEVVGVGEPVAIRFDENIADRGAAEKAIKITTNPPVEGAFYWLNNREVRWRPEHFWKPGTAVDVAVNTYGVDLGEGMFGEDNVQTHFTIGDEVIATADDNTKILTVRVNGEVVKSMPTSMGKDSTPTANGIYIVGSRYKHIIMDSSTYGVPVNSPNGYRTDVDWATQISYSGVFVHSAPWSVGAQGHTNTSHGCLNVSPSNAQWFYDHVKRGDIVEV...
8A1N_4_k12
0
-3.4
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s32
B4PL32
[CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH1][Branch2][Ring1][O][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][=N][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][N][NH0][Branch1][C][H][NH0][Ring2][Ring1][Branch2][CH0][=Branch1][C][=OH0][CH0][=CH0][Bran...
NC1NC(Nc2ccc(S(N)(=O)=O)cc2)NN1C(=O)c1c(F)cccc1F
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GVEQKLVQLILDEIVEGGAKVEWTDIAGQDVAKQALQEMVILPSVRPELFTGLRAPAKGLLLFGPPGCGKTLLARAVATECSATFLNISAASLTSKYGEKLVRALFAVARHMQPSIIFIDEVDSLLSRRLKTEFLVEFDGLPPDGDRIVVLAATNRPQELDEAALRRFTKRVYVSLPDEQTRELLLNRLLQKQGSPLDTEALRRLAKITDGYSGSDLTALAKDAALEPIRELNVEQVKCLDISAMRAITEQDFHSSLKRIRRSVAPQSLNSYEKWSQDYGD
6P10_2_k12
1
-8.3
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679
P00760
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6KBF_4_k12
0
-2.3
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8172
P08799
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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6Z7T_4_k12
0
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176
E9QRF2
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3SA3_1_k12
0
-2.6
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90263
P11217
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][CH3][CH2][CH2][OH0][CH2][CH2][OH0][H]
COCCOCCOCCOCCO
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2D1G_3_k12
0
-3.3
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2HHZ_1_k12
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1W3H_1_k12
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157010397
P0DTC1
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8HVM_1_k12
1
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176
P37634
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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8P6F_1_k12
0
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446875
H1AE14
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][N]
O[C@H]1[C@H](O)COC[C@@H]1O
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7EXK_4_k12
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174
O60502
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4QO9_4_k12
0
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s561
Q65900
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CC1=C(S(=O)(=O)N(C)C)C(C)NN1
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7H4B_2_k12
0
-3.8
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444205
Q15562
[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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TPYDYIIVGAGPGGIIAADRLSEAGKKVLLLERGGPSTKQTGGTYVAPWATSSGLTKFDIPGLFESLFTDSNPFWWCKDITVFAGCLVGGGTSVNGALYWYPNDGDFSSSVGWPSSWTNHAPYTSKLSSRLPSTDHPSTDGQRYLEQSFNVVSQLLKGQGYNQATINDNPNYKDHVFGYSAFDFLNGKRAGPVATYLQTALARPNFTFKTNVMVSNVVRNGSQILGVQTNDPTLGPNGFIPVTPKGRVILSAGAFGTSRILFQSGIGPTDMIQTVQSNPTAAAALPPQNQWINLPVGMNAQDNPSINLVFTHPSIDAYEN...
1NAA_1_k12
0
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174
Q9RUD2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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LTPEQIIAVDGAHLWHPYSSIGREAVSPVVAVAAHGAWLTLIRDGQPIEVLDAMSSWWTAIHGHGHPALDQALTTQLRVMNHVMFGGLTHEPAARLAKLLVDITPAGLDTVFFSDSGSVSVEVAAKMALQYWRGRGLPGKRRLMTWRGGYHGDTFLAMSICDPHGGMHSLWTDVLAAQVFAPQVPRDYDPAYSAAFEAQLAQHAGELAAVVVEPVVQGAGGMRFHDPRYLHDLRDICRRYEVLLIFDEIATGFGRTGALFAADHAGVSPDIMCVGKALTGGYLSLAATLCTADVAHTISAGAAGALMHGPTFMANPLACA...
5TE2_3_k12
0
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s736
P9WQD9
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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LLGEANSFLEVLEQVSHLAPLDKPVLIIGERGTGKELIASRLHYLSSRWQGPFISLNCAALNENLLDSELFGHERHPGRFERADGGTLFLDQLATAPMMVQEKLLRVIEYGELERVGGSQPLQVNVRLVCATNADLPAMVNEGTFRADLLDRLAFDVVQLPPLRERESDIMLMAEYFAIQMCREIKLPLFPGFTERARETLLNYRWPGNIRELKNVVERSVYRHGTSDYPLDDIIIDPFKR
4QOS_2_k12
1
-7.9
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s99
F8G0P1
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NC(=O)C1=CC=CN([C@@H]2O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]3O[C@@H](N4CNC5=C(N)NCNC54)[C@H](OP(=O)(O)O)[C@@H]3O)[C@@H](O)[C@H]2O)C1
TdReVeAeIeIeGaAqGaPlClGsLlAlQlLlRlAlFqQlSvAvAvAvKvGpAdAdIaPhEqLyVaCyFeEaKqQaSqDdWhGhGfMqWlNdYdTdWlRdTaGqVaDdEpHvGrEhPgVdHrGhSlMdYaRpYlLdWkSaNlGaPfKvElClLaEaFaAlDvYqTgFpDcEnHqFvGvRdPfIaGfSrYiPaPfRsEvVvLvWsDsYrIsKvGvRsVcEvKvAsGvVrRpDvYnIyRdFyNsTkAaVwRaQaVwSdYaDdEvTvSvGcLwFiSwVtTwViQqDrHrSvNvNrRdViYdTiEdTiFgDnYfVyVeNyAaCn...
TRVAIIGAGPCGLAQLRAFQSAAAKGAAIPELVCFEKQSDWGGMWNYTWRTGVDEHGEPVHGSMYRYLWSNGPKECLEFADYTFDEHFGRPIGSYPPREVLWDYIKGRVEKAGVRDYIRFNTAVRQVSYDETSGLFSVTVQDHSNNRVYTETFDYVVNACGHFSTPNTPYFEGFERFGGRVLHAHDFRDALEFKDKDILVVGSSYSAEDIGSQCYKYGARSITSCYRSAPMGYQWPQNWEEKPLLQRVDSDTAWFADGSHKRIDAIILCTGYQHHFPFLPDSLRLITENRLWPLKLYKGIFWEDNPKFLYLGMQDQWYSF...
6HNS_2_k12
1
-10.1
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753
Q6P9V9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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REIVHIQAGQCGNQIGAKFWEVISDEHGIDPTGSYHGDSDLQLERINVYYNEATGNKYVPRAILVDLEPGTMDSVRSGPFGQIFRPDNFVFGQSGAGNNWAKGHYTEGAELVDSVLDVVRKESESCDCLQGFQLTHSLGGGTGSGMGTLLISKIREEYPDRIMNTFSVMPSPKVSDTVVEPYNATLSVHQLVENTDETYCIDNEALYDICFRTLKLTTPTYGDLNHLVSATMSGVTTCLRFPGQLNADLRKLAVNMVPFPRLHFFMPGFAPLTSQQYRALTVPELTQQMFDSKNMMAACDPRHGRYLTVAAIFRGRMSMK...
8C0F_3_k12
0
-3.6
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444205
P02699
[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
LdVkVaTkPvPpGdPaEeLeVeLdNeVaSqSaTkFdVkLiTkCiSkGdSlAaPeVkVfWkEdRdMpSnQdEgPdPdQwEdMwAdKaAdQpDvGrTmFiSmSiVmLdTmLgTgNrLdTdGqLlDvTfGaEwYmFwCmTgHhNpDcDvEdRiKgRiLhYtIyFaVyPdDhPlTvVdGdFwLhPdNdDdApEvElLqFeIaFeLaTaEdIfTdEkIdTfInPfCtRaVgTrDdPpQvLwVdVkTfLkHaEfKvKpGgDpVdAgLdPpVfPdYaDdHnQhRgGhFtSiGgIgFdEdDfRgSkYmIwCmKwTtTaIrGpDhRdEi...
LVVTPPGPELVLNVSSTFVLTCSGSAPVVWERMSQEPPQEMAKAQDGTFSSVLTLTNLTGLDTGEYFCTHNDDERKRLYIFVPDPTVGFLPNDAEELFIFLTEITEITIPCRVTDPQLVVTLHEKKGDVALPVPYDHQRGFSGIFEDRSYICKTTIGDREVDSDAYYVYRLQVSSINVSVNAVQTVVRQGENITLMCIVIGNEVVNFEWTYPRKESGRLVEPVTDFLLDMPYHIRSILHIPSAELEDSGTYTCNVTESVNDHQDEKAINITVVE
3MJG_1_k12
0
-4.4
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30819
Q01225
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6U1Q_1_k12
2
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2723692
Q96MU7
[CH2][Branch1][#Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCCCCCCCOCCOCCOCCO
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4GF4_1_k12
0
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444205
Q99046
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3T6Z_2_k12
0
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753
P55245
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
EdEdIdIpWqEqSaLkSeVkDaVwGdSaQdGdNaPqGaIwViEkYmKwGiVaDrTsKnTpGlEhVtLdFdEiRdEdPiIqPgItGdTgNrNlMlGnElFlLlArIvVlHvGvLqRvYvLcKvEvRvNvShRqKhPaIyYeSyDqSdQpTqAnIvKvWcVlKvDvKlKhArKpSdTpLdVdRdNdEpEsTcApLvIsWvKvLsVsDvEvAsEsEvWvLsNvTvHdTdYdEpThPhIyLdKhWdQpTcDvKpWpGnEdIrKsArDdYpGpRpKd
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6DOQ_1_k12
0
-2.8
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753
Q8A7J8
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdKeVeWaLeVaGaAcYlGdIlVlSnTlTvAlMvVlGvAlRvAcIvEvRvGpInAdPdKlIpGlLfVpScEpLdPpHlFnEpGpIlEcKvYqAfPnFsSdFyEdFyGeGyHeEdIfRpLfLdSqNwAnYlEvAsAnKvEvHlWcEvLqNpRvHpFdDdRpEvIsLsEvAvVcKnSvDrLgEnGpIhVgAyRhKaGaTaAqLqNqCqGdSpGlIvKvElLvGpDhItKdThLpEvGvEvGvLdSfLlAvErMrVlSvRvIlElEvDvIvKvSvFvAdDdDlElTyVaVyIeNyVpAhSaTfEgPfLaPfNpYdSdEcEqYc...
MKVWLVGAYGIVSTTAMVGARAIERGIAPKIGLVSELPHFEGIEKYAPFSFEFGGHEIRLLSNAYEAAKEHWELNRHFDREILEAVKSDLEGIVARKGTALNCGSGIKELGDIKTLEGEGLSLAEMVSRIEEDIKSFADDETVVINVASTEPLPNYSEEYHGSLEGFERMIDEDRKEYASASMLYAYAALKLGLPYANFTPSPGSAIPALKELAEKKGVPHAGNDGKTGETLVKTTLAPMFAYRNMEVVGWMSYNILGDYDGKVLSARDNKESKVLSKDKVLEKMLGYSPYSITEIQYFPSLVDNKTAFDFVHFKGFLGK...
3QVS_3_k12
0
-3
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753
P0ABQ6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdSdGaMlDvEvIvVlKvVvLlSvQvHfDqRfIeLeVeVfGeHfIeMpPdDdGlDlCrVqSlSlVqLvSlLlTqLvGlLsEvKlLvGvKgErVyKaAyAeVaDlYyKdIdPdYqVlFcEvKpFaPpYpIsDvKsIyEdEnNcPgNpFgDdPgEqLeLyVeVyVeNaAdSqSePlDvRgIrGpKpFcQsDvLcLlDvKpVhPqSyVeVyIqDhHaHfSpTnNrTpNpFsGgNpWhNyWhVyDhPvSlFaAlAgTsAlQvMvIsFvRvIsNsKvAvLnGpVgEdYdDaSqNsLsAlTqLsNsYlLrGrIlAcTvNsTcGvFr...
GSGMDEIVKVLSQHDRILVVGHIMPDGDCVSSVLSLTLGLEKLGKEVKAAVDYKIPYVFEKFPYIDKIEENPNFDPELLVVVNASSPDRIGKFQDLLDKVPSVVIDHHSTNTNFGNWNWVDPSFAATAQMIFRINKALGVEYDSNLATLNYLGIATNTGFFRHSNADVRVFEDAYKLVKMGADAHFVAKEILENKRFEQFKLFAEVLERLQLLENGKIAYSYIDYDTYLRHNCTDEDSAGFVGELRSIRGVEVAVLFMEFPRGKIHVSMRSKDWFNVNEVAFELGGGGHPRAAGVTFEGKKIEEVIPRVINHLLKKFKEG...
5O70_1_k12
0
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174
Q6IQ55
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6UUD_3_k12
0
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753
P0C2S1
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1GUI_2_k12
0
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1567
P00720
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAAAINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
3DMV_2_k12
0
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833616
P9WNM5
[CH0][=Branch1][C][=OH0][Branch1][#C][NH0][CH2][CH2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH2][Ring1][Branch2][CH2][OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
O=C1CN(C(=O)COc2ccccc2)CCN1
SdGaAwIaYfVaGfNqYkRtVkVfNqRlHlLpAdTdHvNqDcWvAvNqLwVdWdEdDdSvSlRlDrLiLtVmSgSgThTdAdQhGgCdDfTdIeAaRqCdDqCaQqTwGwVwYwYqCfSpSvRvRrKdHiYdPiVwSgFkSdKfPwSaLfIdFfVaEdAdSaEpYrYgPhAgRdYtQhSgHgLkMiLkAtVfGaHaSdEhPpGvDqCfGrGiIfLtRaCdQpHrGtVtVqGfItVfSdTgGgGdNpGrLmVtGmFtArDgVcRnDvLvLpWcLsDnEdEd
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7H2T_2_k12
0
-4.3
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311
Q9URS1
[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
LdNvWlIcSlMqRpSaIqAwSaSpKwLkWgMwLaEkFkSwAkFwLkEkRdQaQpDdPpDpTdYiNdKiHdLtFfVfHiIdSgQpSpSdPdSdYsSpDdPdYgLaEaTaVdDaIvRvQvIpYqDqKlFaPaEdKdKpGpGtLdKvEvLqFcEvRpGaPdSqNsAfFeFkLeVkKeFkWaAtDaLlNdTdNdIqDpDvEdGdSdAiFfYiGfVmSkSiQkYmEkSgPlEdNfMfIkIkTkCkSwTkKfVkCfSfFrGhKdQtVdVdEiKdViEdTiEwYgAwRdYdEdNdGnHiYiLmYtRmIdHpRrShPgLdCdEpYvMv...
LNWISMRSIASSKLWMLEFSAFLERQQDPDTYNKHLFVHISQSSPSYSDPYLETVDIRQIYDKFPEKKGGLKELFERGPSNAFFLVKFWADLNTNIDDEGSAFYGVSSQYESPENMIITCSTKVCSFGKQVVEKVETEYARYENGHYLYRIHRSPLCEYMINFIHKLKHLPEKYMMNSVLENFTILQVVTNRDTQETLLCIAYVFEVSASEHGAQHHIYRLVLNWISMRSIASSKLWMLEFSAFLERQQDPDTYNKHLFVHISQSSPSYSDPYLETVDIRQIYDKFPEKKGGLKELFERGPSNAFFLVKFWADLNTNIDD...
5GN0_2_k12
2
-5.7
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s719
P09871
[C@@H1][Branch1][=C][CH2][C@@H1][Branch1][Ring2][CH2][OH0][H][CH0][=Branch1][C][=OH0][OH0][H][Branch1][=N][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC[C@H](CCCCCCC)C[C@@H](CO)C(=O)O
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LPGVTEEALRLKEAALEELAAQEVTAPLVPLAVSAFLTSRKKAAAAELADWMQSPEGQASSLESIGRSLSRRNHGRSRAVVLAHDHDEAIKGLRAVAAGKQAPNVFSVDGPVTTGPVWVLAGFGAQHRKMGKSLYLRNEVFAAWIEKVDALVQDELGYSVLELILDDAQDYGIETTQVTIFAIQIALGELLRHHGAKPAAVIGQSLGEAASAYFAGGLSLRDATRAICSRSHLMGEGEAMLFGEYIRLMALVEYSADEIREVFSDFPDLEVCVYAAPTQTVIGGPPEQVDAILARAEAEGKFARKFATKGASHTSQMDPL...
3TZZ_3_k12
1
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s539
A6UPQ3
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5V0X_1_k12
1
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6572510
Q15370
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3EX1_1_k12
1
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185698
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7SCL_2_k12
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444205
Q9WCE1
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3HTQ_1_k12
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743
O07566
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7KZD_3_k12
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443658
P00157
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1PP9_1_k12
1
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s91
P9WNX1
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][C@H1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][SH0][CH3][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
CSC[C@H]1O[C@@H](N2CNC3=C(N)NCN[C@@H]32)[C@H](O)[C@@H]1O
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4CXM_1_k12
1
-8.7
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s179
P95649
[NH0][Branch2][Ring2][C][CH0][=Branch1][C][=OH0][C@@H1][Branch2][Ring1][C][NH0][Branch1][=C][CH0][=Branch1][C][=OH0][C@H1][Branch1][C][CH3][NH0][Branch1][C][CH3][H][H][C@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][C@H1][Branch2][Ring1][#C][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=CH0][Branch1][=N][CH1][NH0][...
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H](C)[C@H]1C(=O)Nc1ccccc1C1NC=CCN1)C1CCCCC1
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SHMLPRNPSMADYEARIFTFGTWIYSVNKEQLARAGFYALGEGDKVKCFHCGGGLTDWKPSEDPWEQHAKWYPGCKYLLEQKGQEYINNIHLTH
3HL5_1_k12
1
-7.4
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8223
P41595
[OH0][C@@][Branch1][C][CH3][Branch2][Ring2][O][NH0][Branch2][Ring2][=Branch1][CH0][=Branch1][C][=OH0][C@H1][CH2][NH0][Branch1][C][CH3][C@@H1][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][CH0][=Branch1][=Branch1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Ring1][=N][=CH1][Ring2][Ring1][C][H][CH0][=Branch1...
CN1C[C@H](C(=O)N[C@]2(C)O[C@@]3(O)[C@@H]4CCCN4C(=O)[C@H](Cc4ccccc4)N3C2=O)C=C2c3cccc4[nH]cc(c34)C[C@H]21
EdEdQpGdNfKcLvHvWvAlAvLvLcIvLvMqVfIlIcPlTlIqGvGlNlTvLlVlIlLlAlVcSvLqEdKpKvLnQvYfAqTlNsYvFlLlMnSlLlAsVvAlDlLnLvVcGsLvFqVaMvPvIlAlLsLvTcIvMgFvEpAlMaWrPpLdPdLlVvLcClPlAvWsLqFlLsDlVqLlFsSlTlAlSnIlWvHsLlClAlIsSlVvDvRlYlIcAcIlKlKpPvIpQdApNdQrYvNvSsRnAvTvAsFvIvKsIsTvVvVsWsLvIlSsInGvIlAsIvPvVsPvIvKlGdIdEdTaVdDdNpPhNgNrIdTgCrVd...
EEQGNKLHWAALLILMVIIPTIGGNTLVILAVSLEKKLQYATNYFLMSLAVADLLVGLFVMPIALLTIMFEAMWPLPLVLCPAWLFLDVLFSTASIWHLCAISVDRYIAIKKPIQANQYNSRATAFIKITVVWLISIGIAIPVPIKGIETVDNPNNITCVLTKERFGDFMLFGSLAAFFTPLAIMIVTYFLTIHALQKKAQTISNEQRASKVLGIVFFLFLLMWCPFFITNITLVLCDSCNQTTLQMLLEIFVWIGYVSSGVNPLVYTLFNKTFRDAFGRYITCNYRADLEDNWETLNDNLKVIEKADNAAQVKDALTKM...
4NC3_7_k12
1
-14.5
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54294271
P02699
[CH2][Branch2][Ring1][C][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
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8A6E_1_k12
2
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446069
P03437
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CO[C@]1(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O)CO)O1
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1HGH_2_k12
2
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s279
O57947
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CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(O)NCCC(=O)NCCS
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MDVTIERVNDFDGYNWLPLLAKSSQEGFQLVERMLRNRREESFQEDGEAMFVALSTTNQVLACGGYMKQSGQARTGRIRHVYVLPEARSHGIGTALLEKIMSEAFLTYDRLVLYSEQADPFYQGLGFQLVSGEKITHTLDKTAFADS
3GYA_1_k12
1
-7.9
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s2
Q8NKW8
[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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6Z1A_2_k12
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176
Q9PTN2
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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8PWM_2_k12
0
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753
Q8TEK3
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3AJD_1_k12
0
-2.6
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91146605
Q9NRG4
[NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch1][=CH1][NH0][Ring1][=Branch1][H][CH1][=CH1][CH1][=CH1][Ring1][=Branch2]
C1=CC2=CNNC2C=C1
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MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
2VTA_1_k12
2
-5.6
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174
P54132
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GPVIRVAGDSTAVGEGGRWMKEMVEAWGKKTGTRVEYIDSPADTNDRLALYQQYWAARSPDVDVYMIDVIWPGIVAPHALDLKPYLTEAELKEFFPRIVQNNTIRGKLTSLPFFTDAGILYYRKDLLEKYGYTSPPRTWNELEQMAERVMEGERRAGNRDFWGFVFQGKPYEGLTCDALEWIYSHGGGRIVEPDGTISVNNGRAALALNRAHGWVGRIAPQGVTSYAEEEARNVWQQGNSLFMRNWPYAYALGQAEGSPIRGKFGVTVLPKASADAPNAATLGGWQLMVSAYSRYPKEAVDLVKYLASYEVQKDNAVRLS...
6JAN_1_k12
0
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8172
Q9EVR0
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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MNNRRKIVVIGASNVGSAVANKIADFQLATEVVLIDLNEDKAWGEAKDSSHATSAIYSTNIKFHLGDYEDCKDANIIVITAGPSIRPGETPDRLKLAGTNAKIMSSVMGEIVKRTKEAMIIMITNPLDVATYVVSTQFDYPRNLILGTGTMLETYRFRRILADKYQVDPKNINGYVLGEHGNAAFVAWSTTGCAGFPIDDLDEYFHRTEKLSHEAVEQELVQVAYDVINKKGFTNTGIAMAACRFIKSVLYDEHTILPCSAVLEGEYGIKDVALSIPRMVCADGIMRSFEVHLTDDELEKMHKAAQSVRSALDGAGIKHH...
7NAY_3_k12
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