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
46936292
P55245
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][Branch2][Ring1][=Branch1][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2...
CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCC
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ANLWERFCNWVTSTDNRLYVGWFGVIMIPTLLAATICFVIAFIAAPPVDIDGIREPVSGSLLYGNNIITGAVVPSSNAIGLHFYPIWEAASLDEWLYNGGPYQLIIFHFLLGASCYMGRQWELSYRLGMRPWICVAYSAPLASAFAVFLIYPIGQGSFSDGMPLGISGTFNFMIVFQAEHNILMHPFHQLGVAGVFGGALFCAMHGSLVTSSLIRETTETESANYGYKFGQEEETYNIVAAHGYFGRLIFQYASFNNSRSLHFFLAAWPVVGVWFAALGISTMAFNLNGFNFNHSVIDAKGNVINTWADIINRANLGMEV...
5GTH_8_k12
2
-6.9
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s673
P22734
[S@@][Branch1][Branch1][CH2][CH2][OH0][H][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OCCS(O)(O)O
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KRINIRLAHPMAPGNNVTVGYEKFKELVAEKSNGRVRIQLFGNCMLGSDRVTMEAAQRGTLEMASSSSPNMANFSKQWMVFDLPYITSPEHQQKLYKAIDDGELGKKLDEIAASIGLKPIMYSEYGYRNFVTTKKPIKTADDLKNLKVRTTDSPIEVAVAAALGMAPTPISWGETYTALQQGTVDGEGNTFSLLNDAKHTEVLKYAIDSAHNYSMHLLMMNKAYYDSLPANVQQILTEAGREALTYQRSITSELEKKAEDAFIEQGITVTRLSPEERAKLVERTRPVWDKFKDDIPAELIKLVQETQQ
8TE9_1_k12
2
-5.3
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444205
O24243
[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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7CGS_3_k12
2
-5.6
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444205
P02749
[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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GRTCPKPDDLPFSTVVPLKTFYEPGEEITYSCKPGYVSRGGMRKFICPLTGLWPINTLKCTPRVCPFAGILENGAVRYTTFEYPNTISFSCNTGFYLNGADSAKCTEEGKWSPELPVCAPIICPPPSIPTFATLRVYKPSAGNNSLYRDTAVFECLPQHAMFGNDTITCTTHGNWTKLPECREVKCPFPSRPDNGFVNYPAKPTLYYKDKATFGCHDGYSLDGPEEIECTKLGNWSAMPSCKASCKLPVKKATVVYQGERVKIQEKFKNGMLHGDKVSFFCKNKEKKCSYTEDAQCIDGTIEVPKCFKEHSSLAFWKTDA...
1C1Z_1_k12
0
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174
O26232
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GERTEDYPKLLEYGLDKKVAGKLDEIYKTGKLAHAELDERALDALKEFPVDGALNVLGQFLESNLEHVSNKSAYLCGVMKTYRQKGPDEDKIKKILERTGYTLDVTTGQRKYGGPPPHWEGNVPGNGCEVFCGKIPKDMYEDELIPLFENCGIIWDLRLMMDPMTGTNRGYAFVTFTNREAAVNAVRQLDNHEIKPGKCLKINISVPGERTEDYPKLLEYGLDKKVAGKLDEIYKTGKLAHAELDERALDALKEFPVDGALNVLGQFLESNLEHVSNKSAYLCGVMKTYRGPDEDKIKKILERTGYTLDVTTGQRKYGGP...
6ES4_1_k12
0
-2.8
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54929
P12758
[CH1][=CH0][Branch1][#Branch2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Ring1][S][CH2][OH0][CH2][CH2][OH0][H]
O=c1[nH]c(=O)n(COCCO)cc1Cc1ccccc1
KdSdDpVaFdHfLqGrLdTaKlNvDlLqQvGqAaTqLeAeIeVePeGaDaPlDvRcVqEqKvIlAqAvLvMaDaKdPkVaKwLdAdSdHgRdErFwTtTkWiRwAgEdLdDpGrKdPiVyIiVyCiSyTqGhIfGaGqPvSsTvSvIrAvVvEvEvLvAvQvLsGrIhRfTeFyLeRyIeGyTaTwGaAwIaQePpHpIdNdVaGlDaVkLeVwTeTqAwSeVdRpLqDhGdAlSlLcHvFqApPnLnEvFdPtAlVgAaDdFpElClTsTvAlLlVvEvAlAlKvSvIvGpAgThTyHdVyGyVyTeAySaShDrTdFd...
KSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGPSTSIAVEELAQLGIRTFLRIGTTGAIQPHINVGDVLVTTASVRLDGASLHFAPLEFPAVADFECTTALVEAAKSIGATTHVGVTASSDTFYPGQERYDTYSGRVVRHFKGSMEEWQAMGVMNYEMESATLLTMCASQGLRAGMVAGVIVNRTQQEIPNAETMKQTESHAVKIVVEAARRLLSDVFHLGLTKNDLQGATLAIVPGDPDRVEKIAALMDKPVKLASHREFTTWRAELDGKPVIVCSTGIGGP...
1U1C_1_k12
1
-9.6
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174
P06873
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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s2
P15121
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2A14_1_k12
1
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8117
P0A2K1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
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6X0C_5_k12
0
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s594
P00720
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COC1NC2=CC=CNC2N1[C@H]1C[C@H](NC2Nc3ccccc3S2)C1
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4P0N_2_k12
1
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5288331
Q9D020
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O=C(O)C1=C[C@H](O)[C@@H](O)CO1
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3ZSC_2_k12
0
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176
Q99289
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6UQW_2_k12
0
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s1077
P00396
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CCCCCCCCC=CCCCCCC(=O)OC[C@@H](CO[P@](=O)(O)OC[C@@H](O)CO)OC(=O)CCCCCCCCCCCCCCCCC
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MFINRWLFSTNHKDIGTLYLLFGAWAGMVGTALSLLIRAELGQPGTLLGDDQIYNVVVTAHAFVMIFFMVMPIMIGGFGNWLVPLMIGAPDMAFPRMNNMSFWLLPPSFLLLLASSMVEAGAGTGWTVYPPLAGNLAHAGASVDLTIFSLHLAGVSSILGAINFITTIINMKPPAMSQYQTPLFVWSVMITAVLLLLSLPVLAAGITMLLTDRNLNTTFFDPAGGGDPILYQHLFWFFGHPEVYILILPGFGMISHIVTYYSGKKEPFGYMGMVWAMMSIGFLGFIVWAHHMFTVGMDVDTRAYFTSATMIIAIPTGVKV...
2DYS_5_k12
2
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753
P59750
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6CDS_3_k12
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107
Q6N8N2
[CH1][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH2][CH2][CH0][=Branch1][C][=OH0][OH1]
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6ZGS_1_k12
2
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1567
928750
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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3FA0_2_k12
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s398
Q03111
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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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MLAILYDRIRPDERMLFERAEALGLPYKKVYVPALPMVLGERPKELEGVTVALERCVSQSRGLAAARYLTALGIPVVNRPEVIEACGDKWATSVALAKAGLPQPKTALATDREEALRLMEAFGYPVVLKPVIGGFQHQLFYIQEYVEKPGRDIRVFVVGERAIAAIYRAENCPLTEEVARLSVKAAEAVGGGVVAVDLFESERGLLVNEVNHTMEFKNSVHTTGVDIPGEILKYAWSLAS
1UC9_1_k12
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753
Q54970
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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9F5U_3_k12
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s602
P83791
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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)NCCSC(=O)c1ccccc1
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3PVR_2_k12
1
-10.2
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s108
Q9Y3B8
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3SY4_2_k12
1
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1032
Q39054
[CH0][=Branch1][C][=OH0][Branch1][Ring1][CH2][CH3][OH0][H]
CCC(=O)O
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GPEYKVAILTVSDTVSAGAGPDRSGPRAVSVVDSSSEKLGGAKVVATAVVPDEVERIKDILQKWSDVDEMDLILTLGGTGFTPRDVTPEATKKVIERETPGLLFVMMQESLKITPFAMLSRSAAGIRGSTLIINMPGNPNAVAECMEALLPALKHALKQIA
1UUX_3_k12
0
-2.4
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753
P0C0Y9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ZJ0_2_k12
0
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s265
O88831
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CNC(=O)c1ccccc1NC1NC(Nc2ccc(N3CCOCC3)cc2OC)NC=C1Cl
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6BQL_2_k12
1
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72107716
Q89AG7
[CH3][NH0][CH2][CH2][CH2][CH0][=CH0][Ring1][=Branch1][CH1][=CH0][Branch1][=N][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][N]
CN1CCCc2ccc(S(N)(=O)=O)cc21
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGpThTqTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCpTdSpEvDcMqLqNpPpNpYsEvDvLsLvIvRvKdSdNqHvNsFiLwViQgAdGpNnVdQtLwRgVfIpGdHwSdMaQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsTrPfKaYeKdFwVdRaIdQaPfGlQdTkFwSkVwLqAqCdYaNnGrSgPtSdGdViYgQmCwAtMqRwPnNlFrTwItKpGdSdFhLdNrGrSsCfGqStVwGtFwNdIdDdYpDrCyVtSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7QT6_1_k12
2
-6.2
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s607
P09681
[C@@H1][Branch2][Ring1][O][CH2][C@H1][Branch1][P][CH2][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][CH2][NH0][Branch1][C][H][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][NH...
NC[C@@H](CC[C@H](N)C(=O)O)C[C@@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
SdSvQcAqWqQaPqGfVdAwMdPdNvLvYlKqMpQdRfMfLaLaEdKdCfDdLaQpNcYaGpDdSfAfTdLaPdKpGpIdMdMpNlVlAsKnYlTlQsLvClQsYvLvNlTvLdTqLaAqVfPaYpNqMaReVeIeHeFeGaAqGaSdDpKvGqVeAgPnGnTqAvVnLvRcQvWqLhPdTpGnThLqLyVeDySeDyLqNdDhFhVdSyDpAhDpSyTyLdIhGrDfCpAvTqVkHdTkApNwKaWhDqLeIyIeSyDpMdYdDdPpKcTlKvNdVdTpKdEdNqDdSaKdEdGgFvFvTvYvIvClGvFcIcQlQpKr...
SSQAWQPGVAMPNLYKMQRMLLEKCDLQNYGDSATLPKGIMMNVAKYTQLCQYLNTLTLAVPYNMRVIHFGAGSDKGVAPGTAVLRQWLPTGTLLVDSDLNDFVSDADSTLIGDCATVHTANKWDLIISDMYDPKTKNVTKENDSKEGFFTYICGFIQQKLALGGSVAIKITEHSWNADLYKLMGHFAWWTAFVTNVNASSSEAFLIGCNYLGKPREQIDGYVMHANYIFWRNTNPIQLSSYSLFDMSKFPLKLRGTAVMSLKEGQINDMILSLLSKGRLIIRENNRVVISSDVLVN
7R1U_1_k12
1
-7.9
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439709
Q5R651
[C@@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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MDKNELVQKAKLAEQAERYDDMAACMKSVTEQGAELSNEERNLLSVAYKNVVGARRSSWRVVSSIEQKTGAEKKQQMAREYREKIETELRDICNDVLSLLEKFLIPNASQAESKVFYLKMKGDYYRYLAEVAAGDDKKGIVDQSQQAYQEAFEISKKEMQPTHPIRLGLALNFSVFYYEILNSPEKACSLAKTAFDEAIAELDTLSEESYKDSTLIMQLLRDNLTLWTS
5D2D_2_k12
0
-3.9
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s677
P0DTD1
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O=C(O)c1ccc(C2=CNC3NC=C(c4ccccc4)C=C23)cc1C1CCCC1
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6BKU_2_k12
1
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12388
Q56YU0
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCC
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6GA8_9_k12
0
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44567800
P15813
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CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC
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6V7Z_5_k12
1
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447
A5JTM6
[ClH0][CH0][=CH1][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][Ring1][#Branch2]
O=C(O)c1cccc(Cl)c1
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MQTVNEMLRRAATRAPDHCALAVPARGLRLTHAELRARVEAVAARLHADGLRPQQRVAVVAPNSADVVIAILALHRLGAVPALLNPRLKSAELAELIKRGEMTAAVIAVGRQVADAIFQSGSGARIIFLGDLVRDGEPYSYGPPIEDPQREPAQPAFIFYTSTGLPKAAIIPQRAAESRVLFMSTQVGLRHGRHNVVLGLMPLYHVVGFFAVLVAALALDGTYVVVEEFRPVDALQLVQQEQVTSLFATPTHLDALAAAAAHAGSSLKLDSLRHVTFAGATMPDAVLETVHQHLPGEKVNGYGTTEAMNSLYMRQPKTGT...
2QVX_1_k12
2
-5.5
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5997
P29274
[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
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GAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVADLEDNWETLNDNLKVIEKAD...
6LPL_8_k12
1
-7.3
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8172
P23819
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5RDD_4_k12
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s50
O88831
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CC[C@@H]1C(=O)N(C)C2=CNC(Nc3ccc(C(=O)NC4CCN(C)CC4)cc3OC)NC2N1C1CCCC1
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6BQQ_1_k12
1
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s139
Q01781
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1L8B_1_k12
1
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90655273
P29474
[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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5GTG_3_k12
0
-3
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176
O95696
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4CHZ_1_k12
0
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5288845
P27989
[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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7ZKV_1_k12
0
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8117
P29563
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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5VW1_1_k12
0
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753
Q8IL11
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6P05_1_k12
0
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4713218
Q01063
[NH0][Branch1][C][H][Branch1][C][H][CH2][SH0][H]
NCS
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8QJ5_3_k12
0
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OCCOCCO
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MLELKFVRNNPDIVGRALISRNMGTELIDSLLEYDAAWRECLIEGDDLKHKRNVVTREIAQLKKENKDAASRINEMQGINSRIKELDDKIRDYKSKINEIMLSIPNIPSETTPVGKDENDNPVVRVVGEPREFTFTPKPHWEIGESLDILDFERAAKISGQGFAVYKGMGAKLERALINFMLDVHTRQGYLEVFPPVLINEKAMTGTGQLPKFKDDMYGCTDGFYLAPTAEVPVTNLFMDEYMENLPVFLTAYTACFRRETRGIIRNHQFNKVELVKFVMPETSYEELEKLTLDAEEILKLLKLPYRVVSLCTGDLGFSA...
6X94_1_k12
0
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176
Q9X0D0
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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MPRVLVTGALGQIGTDLSLALRDKFGADSVLVSDVVEPGAKHPLAGLKGVEKLDCLDSNGFEKLVKEFKPTWMYHLPAIMSVRGEAEPDLAMDINVNTTRYALELARKYNIRIFIPSTIAAFGDKCGKTMTKDDTIMNPSTVYGVTKVYTELLGTWYRQKYGVDFRSVRLPGIISAATLPGGGATDYAIHMYHSALLQKKCVCPVLPYESLPMMYMPDTLNSLVKIMEAPLEKLTRTVYNITGFSFSPSELRFSIERCTDRTIEVEYVEGPAQKIANSWPDSLDDSNARNDWGHQVKYDIDMMSEDMLRQIPILHGLPSL
5K4V_2_k12
0
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79025
Q9F234
[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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2X2I_4_k12
0
-4.8
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31275
P84751
[CH2][OH0][CH2][CH2][OH0][CH2][Ring1][=Branch1]
C1COCCO1
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4DN9_1_k12
0
-3.1
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s713
P13922
[CH1][Branch2][Ring1][O][NH0][Branch1][C][H][C@@H1][Branch1][Ring2][CH2][SH0][H][CH1][Branch1][N][NH0][Branch1][C][H][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H][Branch1][P][CH2][CH2][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch1][C][H][H][OH0][H]
N[C@@H](CCC(O)N[C@@H](CS)C(O)NCC(=O)O)C(=O)O
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SLKLYGFSVSNYYNMVKLALLEKGLTFEEVTFYGGQAPQALEVSPRGKVPVLETEHGFLSETSVILDYIEQTQGGKALLPADPFGQAKVRELLKEIELYIELPARTCYAESFFGMSVEPLIKEKARADLLAGFATLKRNGRFAPYVAGEQLTLADLMFCFSVDLANAVGKKVLNIDFLADFPQAKALLQLMGENPHMPRILADKEASMPAFMEMIRSGSLKLYGFSVSNYYNMVKLALLEKGLTFEEVTFYGGQAPQALEVSPRGKVPVLETEHGFLSETSVILDYIEQTQGGKALLPADPFGQAKVRELLKEIELYIEL...
3PR8_1_k12
2
-6.7
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s631
P11172
[CH1][Branch1][=Branch1][NH0][Branch1][C][CH3][H][CH0][=CH0][Branch1][P][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][CH3][H][NH0][Ring1][=N][H][NH0][Branch1][C][CH3][CH2][NH0][Ring1][=C][H]
CNC1NC2=C(NCN2C)C(NC)N1
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7Z7F_2_k12
2
-6.2
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439709
Q9X2N2
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OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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8DCG_3_k12
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s219
P31645
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5QK1_1_k12
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s48
P07858
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1DC6_1_k12
1
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447053
Q2G0X7
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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5I4D_6_k12
0
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16082397
Q8DIF8
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][C@@H1][CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][=C][Ring1][Branch2][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]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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ISGSCKGRCFELQEAGPPDCRCDNLCKSYTSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLARGDCCTNYQVVCKGESHWVDDDCEEIKAAECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHSPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVKAGTFFWSVVIPHERRILTILQWLTLPDHERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKIVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTEFLS...
8C3P_3_k12
1
-10.2
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s655
P15289
[CH1][=CH0][Branch1][=Branch2][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][CH0][=CH0][Branch2][Ring1][=C][NH0][Branch1][C][H][NH0][Branch1][C][H][C@H1][Ring1][#Branch1][CH0][=CH1][CH1][=CH1][CH0][Branch1][=Branch2][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][=CH1][Ring1][#Branch2][NH0][Branch1][C][H][CH1][Ring2][Ring1]...
OC1C=C(C(F)(F)F)C2=C(NN[C@H]2c2cccc(C(F)(F)F)c2)N1
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3NEW_1_k12
1
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124886
Q9Y253
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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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7DAZ_1_k12
2
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174
Q0T1H4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7RJP_1_k12
0
-2.5
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2723875
P05025
[C@H1][Branch1][Ring1][OH0][H][CH2][C@H1][Branch2][Ring1][#Branch1][OH0][C@@H1][OH0][C@@H1][Branch1][C][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][O][OH0][H][CH2][C@@][Branch1][Ring1][OH0][H][CH2][CH2][C@@H1][C@@H1][Branch1][#Branch2][C@@][Ring2][Ring1][N][Ring1][Branch2][CH2][OH0][H...
C[C@@H]1O[C@@H](O[C@H]2C[C@H](O)[C@]3(CO)[C@H]4[C@H](O)C[C@]5(C)[C@@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)[C@H](O)[C@H](O)[C@H]1O
LdDlEvLvKlKlEaVaSdMdDdDdHlKvLpSaLpDvEvLqHlNvKvYqGvTfDdLpTqRqGwLaTaNpAvRvAlKvEvIlLcAvRvDpGhPwNlSaLfTdPaPePdTdTdPdEpWvIvKlFlCvRvQcLcFpGvGqFlSnIvLlLlWlIlGqAlIvLvClFvLvAvYvGvIvQcAcApTpEpDpEdPpAdNcDvNsLvYvLvGsVvVcLsSnTvVlVrIvVvTlGsCvFlSvYsYqQqEdApKaSlSqRpIlMrDvSlFlKrNvMqVaPdQqQwAfLwVwIrRhDrGnEdKiSdTiIdNrAlErFsVdVgAfGtDtLkVt...
LDELKKEVSMDDHKLSLDELHNKYGTDLTRGLTNARAKEILARDGPNSLTPPPTTPEWIKFCRQLFGGFSILLWIGAILCFLAYGIQAATEDEPANDNLYLGVVLSTVVIVTGCFSYYQEAKSSRIMDSFKNMVPQQALVIRDGEKSTINAEFVVAGDLVEVKGGDRIPADLRIISAHGCKVDNSSLTGESEPQTRSPEFSSENPLETRNIAFFSTNCVEGTARGVVVYTGDRTVMGRIATLASGLEVGRTPIAIEIEHFIHIITGVAVFLGVSFFILSLILGYSWLEAVIFLIGIIVANVPEGLLATVTVCLTLTAKRM...
3A3Y_2_k12
1
-8.5
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753
P01558
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdKvGlEvEvLlFqTqGaVkVfPkIaLwVeEwLeDwGeDaVaNaGnHdKtFfSiVkSiGkEiGfEiGwDrAlTpYwGfGdSfGwVfTqQkAkHkAkAwWfGlLfKaKlSvFvQvScYvIlTvGdSvIvAfKvGhQdWkNdLkDfGqVwGdYdSdNpGnEtFiTmFwSmGfAgSgGwAgVaDdPqQvAqKlSwGiFkVtKkFtGfGmTwMmRwFgShGgHdHpGqIlLwDtLwNiIwStNtPwEmIwVtFdNgGfAaTkGiTwLiFwAtQfViRkStShDaMnEvGsKhKiSdDgYlGgRtVwAtIfGwNiLwTgFwSpSd...
SKGEELFTGVVPILVELDGDVNGHKFSVSGEGEGDATYGGSGVTQAHAAWGLKKSFQSYITGSIAKGQWNLDGVGYSNGEFTFSGASGAVDPQAKSGFVKFGGTMRFSGHHGILDLNISNPEIVFNGATGTLFAQVRSSDMEGKKSDYGRVAIGNLTFSSLNASETAASGKATMTLHPDGAGAFAGFYEAGSDLDPITFDAQLGGGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKQHDFFKSAMPEGYVQERTIFFKDDGNYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNYNSHNVYIMADKQ...
8SMU_1_k12
0
-2.9
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s485
O60885
[NH0][Branch1][C][H][CH0][Branch1][P][NH0][CH2][CH2][OH0][CH2][C@@H1][Ring1][=Branch1][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH0][CH2][CH0][Branch1][#C][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][OH0][C@@H1][Ring1][#Branch1][CH3][=CH1][CH1][=CH0][Ring1][=C][NH0][Branch1][C][H][CH1][Ring2][Ring1][S][CH...
CC1=C(C2=CC=C3NC(C4=CNN(CC(C)(C)O)C4)NC(N4CCOC[C@@H]4c4ccccc4)=C3C2)[C@@H](C)ON1
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6MAU_2_k12
1
-8.3
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6503
P60932
[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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MHSLLIAAILGVVEGLTEFLPVSSTGHMIIVGHLLGFEGDTAKTFEVVIQLGSILAVVVMFWRRLFGLIGIHFGRPLQHEGESKGRLTLIHILLGMIPAVVLGLLFHDTIKSLFNPINVMYALVVGGLLLIAAECLKPKEPRAPGLDDMTYRQAFMIGCFQCLALWPGFSRSGATISGGMLMGVSRYAASEFSFLLAVPMMMGATALDLYKSWGFLTSGDIPMFAVGFITAFVVALIAIKTFLQLIKRISFIPFAIYRFIVAAAVYVVFF
6FMV_2_k12
0
-2.7
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444205
Q9FJI5
[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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RTFLNLTKPLCEVNSWHILSKDNAIRIGEDAHILVTREPYLSCDPQGCRMFALSQGTTLRGRHANGTIHDRSPFRALISWEMGQAPSPYNTRVECIGWSSTSCHDGMSRMSICMSGPNNNASAVVWYGGRPITEIPSWAGNILRTQESECVCHKGVCPVVMTDGPANNRAATKIIYFKEGKIQKIEELAGNAQHIEECSCYGAGGVIKCICRDNWKGANRPVITIDPEMMTHTSKYLCSKVLTDTSRPNDPTNGNCDAPITGGSPDPGVKGFAFLDGENSWLGRTISKDSRSGYEMLKVPNAETDIQSGPISNQVIVNNQ...
1W20_3_k12
2
-5
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447053
P16404
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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VETISFSFSEFEPGNDNLTLQGAALITQSGVLQLTKINQNGMPAWDSTGRTLYAKPVHIWDMTTGTVASFETRFSFSIEQPYTRPLPADGLVFFMGPTKSKPAQGYGYLGIFNNSKQDNSYQTLGVEFDTFSNPWDPPQVPHIGIDVNSIRSIKTQPFQLDNGQVANVVIKYDASSKILHAVLVYPSSGAIYTIAEIVDVKQVLPEWVDVGLSGATGAQRDAAETHDVYSWSFQASLPE
1AXZ_5_k12
0
-3.5
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s628
P04825
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5YO1_2_k12
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s99
P13922
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3QG2_1_k12
1
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6503
P38942
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NC(CO)(CO)CO
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3GK7_1_k12
0
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311
Q93F76
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O=C(O)CC(O)(CC(=O)O)C(=O)O
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5EOO_1_k12
2
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s587
P06276
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NC[C@H]1CN(C2=C(Br)CNC3=C2CNN3)CCO1
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2WMW_1_k12
2
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Q60053
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s1105
Q8CM25
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CCN[C@H](O)[C@@H]1O[C@@H](N2CNC3=C(N)NCN[C@H]32)[C@H](O)[C@@H]1O
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6D28_1_k12
2
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753
A0A172J1V3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6XS9_1_k12
0
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6503
232796
[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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4XMY_6_k12
0
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s556
P24941
[NH0][Branch2][Ring1][=Branch1][CH0][=Branch1][C][=OH0][CH0][=CH0][CH2][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Branch1][C][H][NH0][Ring1][#Branch2][H][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]
NS(=O)(=O)c1ccc(NC(=O)C2=C3CC=CC=C3NN2)cc1
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2VTI_1_k12
1
-9.3
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107
P52666
[CH1][=CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][CH1][=CH1][Ring1][N]
O=C(O)CCc1ccccc1
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VARGESGVLRVGFTASAAFNSVVPGAIRTFKRAYPDVRLQLEEGNTTQLADELNEGSLDVAFLRPGFTGNERFQLRLLSEEPMVIVLAETHPAAACKQIALSILKDEFFLLFPREIGLSLYDAVIKACGKAGFEPKIGQLVPQISSVINLVSAEMGVSMVPDSMRQVNVKGVVYRPVADQMPVAKLALAYRRGDTSPTLRNFILKVT
7XRO_1_k12
2
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449381
Q9LTR9
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][C@@H1][Branch1][=Branch2][OH0][C@@H1][Branch1][Ring1][CH2][CH3][CH2][CH3][C@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][Ring2][Ring1][Branch2]
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](N)[C@H]1NC(C)=O
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2HT8_1_k12
2
-7
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s76
P07607
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KSPALDAVVIGAGVTGIYQAFLINQAGMKVLGIEAGEDVGGTWYWNRYPGCRLDTESYAYGYFALKGIIPEWEWSENFASQPEMLRYVNRAADAMDVRKHYRFNTRVTAARYVENDRLWEVTLDNEEVVTCRFLISATGPLSAPDIKGIDSFKGESFHSSRWPTDAEGAPKGVDFTGKRVGVIGTGATGVQIIPIAAETAKELYVFQRTPNWCTPLGNSPMSKEKMDSLRNRYPTILEYVKSTDTAFPYHRDPRKGTDVSESERDAFFEELYRQPGYGIWLSGFRDLLLNKESNKFLADFVAKKIRQRVKDPVVAEKLIP...
3UOX_1_k12
1
-12.5
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8117
Q9H1K1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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KYDVVIIGSGPAGMTAAMYTARSEMKTLLLERGVPGGQMNNTAEIENYPGYETIMGPELSMKMAEPLEGLGVENAYGFVTGIEDHGDYKKIITEDDEFITKSIIIATGANHRKLEIPGEEEYGARGVSYCAVCDGAFFRNQEILVIGGGDSAVEEALYLTRFGQSVTIMHRRDKLRAQEIIQQRAFKEEKINFIWDSVPMEIKGDDKKIQSVVYKNVKTGEVTEKAFGGIFIYVGLDPVAEFVSDLGITDEAGWIITDDHMRTNIPGIFAVGDVRQKDFRQITTAVGDGAQAAQEAYKFVVEL
5MH4_1_k12
0
-3.2
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444205
O55173
[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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4CIA_1_k12
0
-4
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s632
P0A2K1
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Ring2][#C][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@][Branch1][C][CH3][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][CH0][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][CH2][CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][CH2][SH0][H][...
CC(C)(CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]1O[C@@H](N2CNC3=C(N)NCN[C@@H]32)[C@@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
GdLdRdVqPaEdRfRfFaSkRaVwLqGfVkGfSkYdRfPaRpRdEkVaSfNvKvEnVlCcTvWlIeDpSdTdEqEvWvIlEcTvRvTfGvIaRgSiRaRaIaAhEdPpDvEpTdIqQlVnMgGqVlArArSqRvRrArLcEvHsAnGvVhDaPlAcEqIaDaLeVeVeVeSeTeMdTaNdFpVdHpTdPdPfLsSrVvAvIsAsHvEvLnGpAnDpNnAyGdGyFhDyLdSyAdAwCqAqGrFqCqHvAvLvSlIvAqArDcAcVqErSsGnGnSgRfHkVhLkVyVkAyTfEyRrMlTvDnVaIaDpLsAnDdRpSpLp...
GLRVPERRFSRVLGVGSYRPRREVSNKEVCTWIDSTEEWIETRTGIRSRRIAEPDETIQVMGVAASRRALEHAGVDPAEIDLVVVSTMTNFVHTPPLSVAIAHELGADNAGGFDLSAACAGFCHALSIAADAVESGGSRHVLVVATERMTDVIDLADRSLSFLFGDGAGAAVVGPSDVPGIGPVVRGIDGTGLGSLHMSSSWDQYVEDPSVGRPALVMDGKRVFRWAVADVVPAAREALEVAGLTVGDLVAFVPHQANLRIIDVLVDRLGVPEHVVVSRDAEDTGNTSSASVALALDRLVRSGAVPGGGPALMIGFGAGL...
1MZJ_2_k12
2
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176
P0ACA6
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6V91_3_k12
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753
P29475
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5UO2_1_k12
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Q9NUW8
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SNAETVAAIKTLIQQLAQSTDQFGRAEINDALRELQYSLETPFDTVMRMSLDTAQVAVARIGSDLGLFKHLSQCASPQSAEELADHLGCGRELMSRLLRYMASVRMVQQTDDIKYISSNITQTLAVPGLEAGMRHAFENLWPVLMALPDFLAERKYPDIVDAKDTAFQKAFNTDQDCFHWLATQPTRIANFKVLLTDERTPNFLSTFPLEKELGSWSAEPEKALFVDIGGGMGHACIRLREKYPNQPGRVILQDLPPVLQAAQATLPLSGIESMPHNFHTPQPVQGAKFYFLRLILRDFPDHQALEILQNIVPAMDAESR...
6IX8_4_k12
0
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s127
P68136
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CN[C@H](C)C1=C(C)N[C@H](C)S1
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5RZK_3_k12
0
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78225628
P03420
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OS(O)(O)CCNC1CCCCC1
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6EAN_2_k12
0
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445395
P01903
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5ULL_1_k12
1
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12000813
P19696
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5XL7_2_k12
2
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s407
P95629
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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2JGD_1_k12
1
-7.9
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8200
Q92769
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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KKVCYYYDGDIGNYYYGQGHPMKPHRIRMTHNLLLNYGLYRKMEIYRPHKATAEEMTKYHSDEYIKFLRSIRPDNMSEYSKQMQRFNVGEDCPVFDGLFEFCQLSTGGSVAGAVKLNRQQTDMAVNWAGGLHHAKKSEASGFCYVNDIVLAILELLKYHQRVLYIDIDIHHGDGVEEAFYTTDRVMTVSFHKYGEYFPGTGDLRDIGAGKGKYYAVNFPMRDGIDDESYGQIFKPIISKVMEMYQPSAVVLQCGADSLSGDRLGCFNLTVKGHAKCVEVVKTFNLPLLMLGGGGYTIRNVARCWTYETAVALDCEIPNEL...
6G3O_1_k12
0
-3.6
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90480064
Q2UMX6
[CH0][Branch2][Ring1][O][CH0][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][CH1][=CH1][Ring1][O][=OH0][=CH1][CH1][=CH1][CH0][Branch1][P][CH0][=CH1][CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][=CH1][CH1][=CH1][Ring1][#Branch2][=CH1][Rin...
NCc1cccc(-c2cccc(C(=O)Nc3ccccc3CC(=O)O)c2)c1
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IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVNYTDSQRPISLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDAGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQ
6TS4_2_k12
1
-8.4
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177
O34453
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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ATTTVGLTDLKVRLVRDDFADAVAWVARSLPSRPTVPVLAGVLLTGSDDGLTISSFDYEVSAEVQIPAEIAAPGTVLVSGRLLSEITRALPNKPVDLSVEGTRVSLTCGSARFSLPTMAVEDYPALPELPAETGSVPADLFAEAIGQVAVAAGRDDTLPMLTGIRVEISGDRMVLAATDRFRLAVRELTWTTKTPDVEAAVLVPAKTLAEAAKTGLDGSEVQLALGAGDGLLGIRSEGKRSTTRLLDAEFPKFRQLLPTEHTAMATIGVGELTEAIKRVALVADRGAQVRMEFADDVLHLSAGADDVGRAEEDLPVSFSG...
8DJQ_1_k12
0
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s74
P32768
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7XXM_1_k12
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154585554
P16544
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6Z10_2_k12
1
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s449
P14779
[C@@H1][Branch1][Ring1][CH1][=OH0][CH2][CH2][NH0][Branch1][N][CH0][=CH1][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1][CH2][CH2][Ring1][#C]
O=CC1CCN(C2=CCNC=C2)CC1
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8JC4_2_k12
2
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439198
P08169
[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][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][Ring2][Ring1][Branch1]
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1SYO_1_k12
2
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5994
P52895
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CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
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4L1X_1_k12
1
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753
P42262
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GSNKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLRNAVNLAVLKLNEQGLLDKLKNKWWYDKGECGGSNKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGD...
7F3O_3_k12
0
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s590
P83791
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CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[C@@H]1C[C@@H](O)[C@H](O)[C@H](CS(O)(O)O)O1)OC(=O)CCCCCCCCCCCCCCC
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MATLKKPDLSDPKLRAKLAKGMGHNYYGEPAWPNDLLYVFPVVIMGTFACIVALSVLDPAMVGEPADPFATPLEILPEWYLYPVFQILRSVPNKLLGVLLMASVPLGLILVPFIENVNKFQNPFRRPVATTIFLFGTLVTIWLGIGATFPLDKTLTLGLFYPFWAQQTYPPTPREPTGRIVCANCHLAAKPAEVEVPQSVLPDTVFKAVVKIPYDTKLQQVAADGSKVGLNVGAVLMLPEGFKIAPEERIPEELKKEVGDVYFQPYKEGQDNVLLVGPLPGEQYQEIVFPVLSPNPTTDKNIHFGKYAIHLGANRGRGQI...
4H13_2_k12
2
-5.1
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