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
14775985
Q8CM25
[C@@H1][Branch1][=Branch1][SH0][CH2][CH2][CH2][CH3][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][Ring2]
CCCCS[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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ERGWFDILDDWLKRDRFVFVGWSGILLFPCAYLALGGWLTGTTFVTSWYTHGLASSYLEGCNFLTVAVSTPANSMGHSLLLLWGPEAQGDFTRWCQLGGLWTFIALHGAFGLIGFMLRQFEIARLVGVRPYNAIAFSAPIAVFVSVFLIYPLGQSSWFFAPSFGVAAIFRFLLFFQGFHNWTLNPFHMMGVAGVLGGALLCAIHGATVENTLFQDGEGASTFRAFNPTQAEETYSMVTANRFWSQIFGIAFSNKRWLHFFMLFVPVTGLWMSAIGVVGLALNLRSYDFISQEIRAAEDPEFETFYTKNLLLNEGIRAWMA...
5ZZN_4_k12
0
-4.3
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444205
Q9VW26
[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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MNGTEGPNFYVPFSNKTGVVRSPFEAPQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVTVQHKKLRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPTGCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPRFGENHAIMGVAFTWVMALACAAPPLVGWSRYIPEGMQCSCGIDYYTPHEETNNESFVIYMFVVHFIIPLIVIFFCYGQLVFTKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSDFGPIFMTIPAFFAKTSAVYNPVIYIMMNKQFRNCMVTTLC
8A6D_2_k12
0
-3.4
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s396
P29016
[CH2][Branch1][O][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH1][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH1][CH3]
CC=CCCCCCCCCCCCCCCCC=CCC
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1GZP_3_k12
1
-7.3
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174
P00163
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5F04_1_k12
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92332561
P49058
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4QDI_2_k12
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s511
P04010
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CONC(C(=O)NCP(O)O)C1=CSC(N)N1
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1RGY_2_k12
2
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753
Q9AGP8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6TI9_3_k12
0
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s573
P31243
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NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)[C@H]2NCN1
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MDHLPIFCQLRDRDCLIVGGGDVAERKARLLLEAGARLTVNALTFIPQFTVWANEGMLTLVEGPFDETLLDSCWLAIAATDDDTVNQRVSDAAESRRIFCNVVDAPKAASFIMPSIIDRSPLMVAVSAGGTSPVLARLLREKLESLLPQHLGQVARYAGQLRARVKKQFATMGERRRFWEKFFVNDRLAQSLANADEKAVNATTERLFSEPLDHRGEVVLVGAGPGDAGLLTLKGLQQIQQADIVVYDRLVSDDIMNLVRRDADRVFVGKRAHCVPQEEINQILLREAQKGKRVVRLKGGDPFIFGRGGEELETLCHAGI...
1PJT_1_k12
1
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52937449
O31567
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C=C(c1ccccc1)[C@@]12CC[C@H](O)[C@@H]1CC(CCCCCC)=C2c1ccccc1
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5UNJ_1_k12
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1RX7_1_k12
1
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311
P0A865
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3I43_1_k12
0
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8172
Q01063
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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GANKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITYVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGNAVNLAVLKLSEQGVLDKLKNKWWYDKGECGS
5NS9_1_k12
0
-3.2
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753
P28720
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSSLTKQSEEGVTFKSHLDGSRHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGTGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAY...
4Q8M_1_k12
0
-3.5
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8172
P9WPP7
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
VdLfLaEeVpPdFdSdAlRaGfDqRdIdPdDpAvVlAvEvLcRcTvRpEpPqIwRgKwVhRaTaIpTlGrAfEiAaWtLeVhSfSaYqAvLlClTqQvVlLlEaDpRcRlFqSdMqKlEvTqAlAdApGpAfPgRhLnNaAdLaTlVdPdPsEnVcVsNcNlMvGvNlIcAvDvAlGvLnRlKvAvVqMlKvAlIqTfPcKpAdPpGcLlElQvFvLlRlDvTvAlNlSvLlLlDvNvLdIvTvEvGaAfPwAdDfLcRqNvDsFhAlDlPlLsAlTqAqLsHlCcKvVqLaGqIhPdQsEvDcGsPvKvLlFsRvSlLq...
VLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNPGS...
6TET_3_k12
0
-2.5
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s717
P07949
[C@H1][Branch1][S][NH0][Branch1][N][CH0][=Branch1][C][=OH0][C@@H1][CH2][CH2][CH2][CH2][Ring1][Branch1][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH0][=CH1][NH0][Branch1][C][H][CH2][NH0][Ring1][=Branch1][H]
O=C(N[C@H](CC1=CNCN1)C(=O)O)C1CCCC1
GdPaVeSaVeAaNeHpLaGpEpDcAnGvHlLvAvLvRlRvDqVqYvSpGqLlQpKdTvPvKrSaLgPqPqKpWlFlYdDdTpVvGlSvEvLlFvDvQvIlTlRpLdPpElYqYcPlTnRvAfEvAvElIcLlRvAvRcSlAlEvVvAcSvAvClRvAfDqTeLeVeEeLaGaSlGqTpSdEpKsTsRvMsLnLqDvAsLvRvHvRvGvSrLhRaReFyVePyFeDeVaDdArSvVsLnSvAvTnArTvAvIcQcRvEvYdSpGnVhEyIyNyAyVyChGdDdFlEvEpHpLlTlEvIgPdRdGdGtRaRyLeFyVeFyLe...
GPVSVANHLGEDAGHLALRRDVYSGLQKTPKSLPPKWFYDTVGSELFDQITRLPEYYPTRAEAEILRARSAEVASACRADTLVELGSGTSEKTRMLLDALRHRGSLRRFVPFDVDASVLSATATAIQREYSGVEINAVCGDFEEHLTEIPRGGRRLFVFLGSTIGNLTPGPRAQFLTALAGVMRPGDSLLLGTDLVKDAARLVRAYDDPGGVTAQFNRNVLAVINRELEADFDVDAFQHVARWNSAEERIEMWLRADGRQRVRVGALDLTVDFDAGEEMLTEVSCKFRPQAVGAELAAAGLHRIRWWTDEAGDFGLSLAA...
7SEW_3_k12
1
-8.4
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753
P49040
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdSpEpTqPaReLeLeFeVeHeAaHePqDlDpEcSlLlSqNcGqAlTvIlAlHvYnTvSvRvGvAhQhVyHaVyVeTyCaTaLlGaElEqGdEaVfIdGdDdRpWcArQqLcThApDvHhAvDsQnLvGsGvYvRsIlGqElLsTcAqAlLcRvAlLsGvVhShAhPyIhYyLqGpGdAhGhRqWaRhDqSpGdMfApGpTdDdQdRdSdQpRrRhFlVlDnAdDdPlRcQrTrVlGvArLvVlAvIvIcRlEvLrRlPhHlVeVyVeTaYaDdPcNcGlGaYvGnHgPsDsHsVnHsTrHvTvVsTvTvAsAnVlAvAp...
MSETPRLLFVHAHPDDESLSNGATIAHYTSRGAQVHVVTCTLGEEGEVIGDRWAQLTADHADQLGGYRIGELTAALRALGVSAPIYLGGAGRWRDSGMAGTDQRSQRRFVDADPRQTVGALVAIIRELRPHVVVTYDPNGGYGHPDHVHTHTVTTAAVAAAGVGDPWTVPKFYWTVLGLSALISGARALVPDDLRPEWVLPRADEIAFGYSDDGIDAVVEADEQARAAKVAALAAHATQVVVGPTGRAAALSNNLALPILADEHYVLAGGSAGARDERGWETDLLAGLGF
4EWL_1_k12
0
-3.3
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s723
P24397
[OH0][=CH0][Branch2][Ring2][S][NH0][CH0][=CH1][CH1][=CH0][Branch2][Ring1][=C][CH0][=CH1][NH0][Branch1][C][CH3][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][#C][Ring1][O][CH1][=CH0][Ring2][Ring1][Branch1][CH1][=CH1][Ring2][Ring1][Branch2][CH2][CH0][=CH1][C...
CN1C=C(c2ccc3c(ccn3C(=O)Cc3cccc(C(F)(F)F)c3)c2)C2=C(N)NCNC21
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4G31_1_k12
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s307
Q9Y253
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COc1ccccc1N1C=CN(C(=O)C2=CC3=C(C)NN(c4ccccc4)C3S2)CC1
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5SKP_1_k12
1
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176
P0DOX5
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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5IIY_1_k12
0
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56844264
P55055
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4DK8_2_k12
1
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s418
Q07817
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6Q9N_3_k12
1
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5232593
Q9D8Z1
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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8TUK_2_k12
0
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444205
P24627
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4G2Z_2_k12
0
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s1032
P45073
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6MJP_5_k12
2
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s582
P00517
[CH1][Branch1][C][CH3][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH1][NH0][Branch1][C][H][NH0][Ring1][=N][H]
CC1NNC=C1c1ccccc1
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SVKEFLAKAKEDFLKKWENPAQNTAHLDQFERIKTLGTGSFGRVMLVKHMETGNHYAMKILDKQKVVKLKQIEHTLNEKRILQAVNFPFLTKLEFSFKDNSNLYMVMEYAPGGEMFSHLRRIGRFSEPHARFYAAQIVLTFEYLHSLDLIYRDLKPENLMIDQQGYIKVTDFGFAKRVKGRTWTLCGTPEYLAPEIILSKGYNKAVDWWALGVLIYEMAAGYPPFFADQPIQIYEKIVSGKVRFPSHFSSDLKDLLRNLLQVDLTKRFGNLKNGVNDIKNHKWFATTDWIAIYQRKVEAPFIPKFKGPGDTSNFDDYEEE...
2UW3_1_k12
1
-7.5
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1150
P02829
[CH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][=CH1][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][#C][Ring1][=Branch1]
NCCc1c[nH]c2ccccc12
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2AGX_1_k12
1
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81462
Q88Z44
[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
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EVRDMTHVYDADFPTYFGAPGIEAVQNFNFKEHGFNLFTLTLNEHTGTHVDAPLHFSADGQSVDEIPVGNLVCPLCVVHIHEKAAADADAQVTPDDLKAWISAHGPIPDGACVAMHSGWAGKTGGAGYRNADSEGKMHFPGFHVEAAQMLIEETGAVAMAVDTLSLDHGPSADFATHYAWLPTNRYGIENLANLDKVPASGATLIVGAPNHRGGSGGPARIFAMV
8F9X_1_k12
0
-3.3
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s339
Q7M181
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][CH1][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring1][P]
CC1NC=C(COP(=O)(O)O)C(C)C1=O
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TKALYDRDGAAIGNLQKLRFFPLAISGGRGARLIEENGRELIDLSGAWGAASLGYGHPAIVAAVSAAAANPAGATILSASNAPAVTLAERLLASFPGEGTHKIWFGHSGSDANEAAYRAIVKATGRSGVIAFAGAYHGCTVGSMAFGLILLPYPDPYRPYRNDPTGDAILTLLTEKLAAVPAGSIGAAFIEPIQSDGGLIVPPDGFLRKFADICRAHGILVVCDEVKVGLARSGRLHCFEHEGFVPDILVLGKGLGGGLPLSAVIAPAEILDCASAFAMQTLHGNPISAAAGLAVLETIDRDDLPAMAERKGRLLRDGLS...
3DXW_1_k12
2
-5.7
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174
P16213
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLSFSKDWSFYLLYYTEFTPTEKDEYACRVNHVTLSQPKIVKWDRDM
3BH9_1_k12
0
-2.2
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447053
O54435
[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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MQTAAISWGTTPSIRVYTANGNKITERCYDGSNWYTGAFNQAGDNVSATCWLSGSAVHIRVYATSGGSTTEWCWDGDGWTRGAYTGL
3ZWE_2_k12
2
-5.7
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0]
8117
P21836
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
GdTkIdLkIdDwLdSdPpDpDdKvEvFvQvSvVvEqEcElMqQlSvTqVdRdEqHdRpDvGrGqHqAqGaGaIdFfNnRgYwNaIwLdKtIkQiKfViCdNdKpKvLlWvEvRlYqTvHvRvRlKvEvVlScEvElNfHvNnHaAqNvEkRdMwLwFkHaGaSaPcFvVvNvAcIcIsHvKpGfFdDdEqRvHqAfYdIqGpGdMpFvGhAtGfIhYkFtAfEsNrSsSsKvSnNsQsYdVnYcGhIpGnGnGpTlGpCdPpVpHpKsDdRsSrCdYqIpCdHkRtQkLmLfFtCkRiVfTgLfGrKaSeFaLeQdFaSa...
GTILIDLSPDDKEFQSVEEEMQSTVREHRDGGHAGGIFNRYNILKIQKVCNKKLWERYTHRRKEVSEENHNHANERMLFHGSPFVNAIIHKGFDERHAYIGGMFGAGIYFAENSSKSNQYVYGIGGGTGCPVHKDRSCYICHRQLLFCRVTLGKSFLQFSAMAHSPPGHHSVTGRPSVNGLALAEYVIYRGEQAYPEYLITYQIMRPE
4UVT_3_k12
0
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753
P29474
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4XXV_1_k12
0
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14121
Q8ZK57
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COc1cc(C=CC(C)=O)ccc1O
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6HOP_4_k12
1
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284
P0DTC1
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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AIRKKLVIVGDGACGKTCLLIVFSKDQFPEVYVPTVFENYVADIEVDGKQVELALWDTAGQEDYDRLRPLSYPDTDVILMCFSIDSPDSLENIPEKWTPEVKHFCPNVPIILVGNKKDLRNDEHTRRELAKMKQEPVKPEEGRDMANRIGAFGYMECSAKTKDGVREVFEMATRAALQA
7G8E_1_k12
0
-2.1
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174
P49336
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4F70_1_k12
0
-3
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753
P60016
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SIPKEGENIKIQSYKHDGKIHRVWSETTILKGTDHVVIGGNDHTLVTESDGRTWITREPAIVYFHSEYWFNVICMFREDGIYYYCNLSSPFVCDEEALKYIDYDLDIKVYPNGKYHLLDEDEYEQHMNQMNYPHDIDIILRRNVDILQQWIEQKKGPFAPDFIKVWKERYKKIR
7D8G_1_k12
0
-2.3
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753
P02675
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6WE3_4_k12
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s580
P96142
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CNC(=O)Nc1cccc(C2C=CNC(C)N2)c1
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5QI2_2_k12
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444205
Q9Y233
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7NX4_1_k12
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176
P9WGR1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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5VUP_2_k12
0
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8134
A7LXU3
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH3]
COCCOCCO
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6JG6_3_k12
0
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s88
P00338
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6BB3_1_k12
1
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12391
A8Z0K3
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
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4I7Z_4_k12
0
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s27
P51570
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4ND4_2_k12
1
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3776
Q07422
[CH3][C@@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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MIPSITAYDALGLKIEFTFERSSVTVITIQASNSTELDMTDFVFQAAVPKTFQLQLLSPSSSVVPAFNTGTITQVIKVLNPQKQQLRMRIKLTFNWNGYKVQSEAEVNNFPPQSWQMIPSITAYDALGLKIEFTFERSSVTVITIQASNSTELDMTDFVFQAAVPKTFQLQLLSPSSSVVPAFNTGTITQVIKVLNPQKQQLRMRIKLTFNWNGYKVQSEAEVNNFPPQSWQ
3ZY7_2_k12
0
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174
Q9H999
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7UER_2_k12
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753
O33840
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2J3V_1_k12
0
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s667
P00551
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CC(C)(C)N1N[C@@H](c2cccc3ccccc23)C2=C(N)NCNC21
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RETSCSRPRLNSNLDADLYGYRWARDNVGQSGATIYRLYGKPNAPELFLKHGKGSVANDVTDEMVRLNWLTAFMPLPTIKHFIRTPDDAWLLTTAIPGKTAFQVLEEYPDSGENIVDALAVFLRRLHSIPVCNCPFNSDRVFRLAQAQSRMNNGLVDASDFDDERNGWPVEQVWKEMHKLLPFSPDSVVTHGDFSLDNLIFDEGKLIGCIDVGRVGIADRYQDLAILWNCLGEFSPSLQKRLFQKYGIDNPDMNKLQFHLMLDEFFMSHIQRETSCSRPRLNSNLDADLYGYRWARDNGATIYRLYGKPNAPELFLKHGK...
4GKH_4_k12
1
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4369116
Q56222
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][N][NH0][Branch1][C][H][CH2][C@H1][Branch1][N][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][H][NH0][Ring1][=C][H]
C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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7TSB_2_k12
2
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131975248
Q9L9E7
[NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][CH0][Ring1][O][=OH0][CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][=CH1][NH0][Ring1][O][H]
NCc1c[nH]c2c1C(=O)NC(N)N2
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RPRFSFSIAAREGKARTGTIEMKRGVIRTPAFMPVGTAATVKALKPETVRATGADIILGNTYHLMLRPGAERIAKLGGLHSFMGWDRPILTDSGGYQVMSLSTKQSEEGVTFHMLSPERSIEIQHLLGSDIVMAFDECTPYPATPSRAASSMERSMRWAKRSRDAFDSRKEQAENAALFGIQQGSVFENLRQQSADALAEIGFDGYAVGGLAVGEGQDEMFRVLDFSVPMLPDDKPHYLMGVGKPDDIVGAVERGIDMFDCVLPTRSGRNGQAFTWDGPINIRNARFSEDLKPLDSECHCAVCQKWSRAYIHHLIRAGEI...
1P0E_1_k12
1
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102255616
P11609
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3GMM_7_k12
1
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176
C0SP94
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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7FHM_6_k12
0
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174
P11838
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
GdPdKpFaPdRwVwKaNfWvEvLvGrSdIiTaYgDfTpLlCqAvQqSfQpQfDdGdPqCdTdPpRvRdCdLpGlSvLdVpLcPrRpKgLlQaTpRePdSpPaGaPqPdPdAlEvQvLlLlSvQlAqRlDvFlIlNqQvYvYcSvSvIvKpRqSrGpShQpAvHsEvEvRvLsQvEvVqEnAvEvVcAvSpTfGvTgYgHdLdRdEpSvEsLvVlFvGqAvKlQvAqWlRqNfAdPqRqCdVlGqRnIvQcWsGvKfLeQaVeFaDeAaRqDvCdSaSdAlQvEvMvFvTvYvIvClNvHvIlKcYqAqTqNvRqGqNaLg...
GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRKLQTRPSPGPPPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMD...
1D1Y_4_k12
0
-3.1
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753
Q9LFJ8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1G66_1_k12
0
-2.8
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174
P14779
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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KQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKEQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCTIHIVTVTINGDDAENARPKPKPGDGEFVEVISLPKNDLLQRLDALVAEEHLTVDARVYSYALALKHAKQYIISEELISEGKWVKLEKTTYMDPTGKTRTWESVKRTTRKQTADGVAVIPVLQRTLHYECIVLVKQFRPPMGGYCIEFPAGLIDDGETPEAAALRELEEETGYKGDIAECSPAVCMDPGLSNCT...
5QTN_1_k12
0
-2.9
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1031
O34453
[CH2][Branch1][Ring1][OH0][H][CH2][CH3]
CCCO
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4UQR_2_k12
0
-2.6
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s719
O95696
[CH3][NH0][CH1][Branch1][Branch2][NH0][CH1][=CH1][CH1][=CH1][Ring1][Branch1][CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=CH1][NH0][Ring1][S][H]
CN1NC=C(c2ccccc2)C1n1cccc1
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5POE_3_k12
2
-5.6
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447053
P11195
[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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7JHZ_2_k12
0
-3.4
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B2HL06
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4DXG_2_k12
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439183
O68874
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2ABM_4_k12
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753
P11838
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8D7Q_1_k12
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181567
D7BPX0
[NH0][Branch1][C][H][C@@H1][Branch2][Ring1][C][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][#Branch2][Ring1][=Branch1][CH0][=Branch1][C][=OH0][NH0][CH2][CH2][CH2][C@H1][Ring1][Branch1][CH0][Ring2][Ring1][=Branch1][=OH0]
O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCC[C@@H]12
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TLTYPFHDWSQELSPRYAQLRASDAPVCPVVSEGTGDPLWLVTRYATAVKLLEDSRFSSEAAIASGAPRQEPVELRAPGTRADGVAMLREAGLRSVLADGLGPRAVRRHQGWINDLAETLMSELASREGTFDLAADFVEPLSSALVSRTLLGELSADERDLLAHCADTGLRFCGVTHEEQVHAFTQMHEFFLEHARRLAGTPGEHLLKLIAEAPVDQGPLSDEALAEAGSLLVVAGFPTSSGFLCGALLTLLRHPDAVQELHAHPERVPSAVEELLRYTPLSTGSVKRMATEDLEIDGVRIKAGEVVMVSLEAVNHDPDA...
7S3T_1_k12
1
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753
I6Y9J2
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6LQB_1_k12
0
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s28
Q00511
[ClH0][CH0][=CH0][Branch1][C][ClH0][CH0][Branch1][C][ClH0][=CH0][Branch1][C][ClH0][CH0][=CH0][Branch1][Ring1][OH0][H][OH0][CH1][=CH0][Ring1][=C][Ring1][#Branch1]
Oc1occ2c(Cl)c(Cl)c(Cl)c(Cl)c12
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SKYDAIPGPLGPQSASLEGKVALVTGAGRGIGREMAMELGRRGCKVIVNYANSTESAEEVVAAIKKNGSDAACVKANVGVVEDIVRMFEEAVKIFGKLDIVCSNSGVVSFGHVKDVTPEEFDRVFTINTRGQFFVAREAYKHLEIGGRLILMGSITGQAKAVPKHAVYSGSKGAIETFARCMAIDMADKKITVNVVAPGGIKTDMYHAVCREYIPNGENLSNEEVDEYAAVQWSPLRRVGLPIDIARVVCFLASNDGGWVTGKVIGIDGGACM
1G0N_2_k12
1
-7.2
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Q6NSJ0
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5YBZ_1_k12
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s216
P0C0Y9
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3DU2_3_k12
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P15090
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7C0F_3_k12
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176
P23687
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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NKYKRIFLVVMDSVGIGEAPDAEQFGDLGSDTIGHIAEHMNGLQMPNMVKLGLGNIREMKGISKVEKPLGYYTKMQEKSTGKDTMTGHWEIMGLYIDTPFQVFPEGFPKELLDELEEKTGRKIIGNKPASGTEILDELGQEQMETGSLIVYTSADSVLQIAAHEEVVPLDELYKICKIARELTLDEKYMVGRVIARPFVGEPGNFTRTPNRHDYALKPFGRTVMNELKDSDYDVIAIGKISDIYDGEGVTESLRTKSNMDGMDKLVDTLNMDFTGLSFLNLVDFDALFGHRRDPQGYGEALQEYDARLPEVFAKLKEDDL...
3M8Z_4_k12
0
-2.4
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6503
P00705
[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
KdVqYdSdRlCqErLvAlAvAlMcKvRvLlGpLpDaNcYlRvGhYhShLsGlNlWvVsCqAqAlNcYqEpSaGvFsNaTlQqAdTkNaRaNdTpDqGqSwTiDfYgGgIsLnQrIhNiSqRqWeWaCaDdDqGpKtTgPpRnSrKnNnAvCvGpIyRhCsSvVvLsLsRdSpDrIcTnEsAvVvRvCsAvKsRvIvVcRvDpGpNpGhMvNvAvWrVvAsWsRvNvRpCpRpGpTdDdVsSvKvWsInRpGpChRpLd
KVYSRCELAAAMKRLGLDNYRGYSLGNWVCAANYESGFNTQATNRNTDGSTDYGILQINSRWWCDDGKTPRSKNACGIRCSVLLRSDITEAVRCAKRIVRDGNGMNAWVAWRNRCRGTDVSKWIRGCRL
5V94_2_k12
0
-3.8
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753
P0C6U8
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdGaFdRdKfMdAaFaPdScGvKlVqElGlCqMwVkQwVkTaCaGdTpTqTiLaNiGwLgWaLaDfDqTkVtYkCfPfRlHcVrInCdTdAdEqDcMqLaNdPhNpYsEvDvLsLvIvRpKdSdNqHvSrFiLfViQdAdGpNpVdQtLwRrVfIpGdHwSdMdQqNaCrLmLiRmLtKgVtDpTgStNrPpKsThPwKaYeKdFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrShPgSdGdViYgQiCwAtMqRfPpNlHrTwItKqGdSdFhLdNpGrSrCfGnStVwGtFwNdIdDdYaDgCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ
3VB4_1_k12
0
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s665
Q07889
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3ELB_2_k12
1
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54751678
Q1IIS2
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COc1ccc(S(=O)(=O)NC(=O)c2sccc2SCc2ccc(Cl)c(Cl)c2)cc1C(=O)O
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3QCJ_1_k12
1
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668
P14340
[CH2][Branch1][Branch2][CH0][=Branch1][C][=OH0][CH2][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H]
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1WPQ_2_k12
2
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284
P23819
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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4J6C_2_k12
0
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8117
D4QFE7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4UZS_2_k12
0
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s530
P22498
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4L1E_1_k12
1
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71816180
P01920
[CH2][Branch2][Ring1][#C][NH0][Branch1][C][CH3][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH0][Branch1][=C][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][=OH0][CH0][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][#Branch2]...
CN(Cc1ccccc1C(=O)NCc1ccccc1)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2
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SPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQSPGIWQLDCTHLEGKVILVAVHVASGYIEAEVIPAETGQETAYFLLKLAGRWPVKTVHTDNGSNFTSTTVKAACWWAGIKQEDGIPYNPQSQGVIESMNKELKKIIGQVRDQAEHLKTAVQMAVFIHNHKRKGYSAGERIVDIIATDIQ
4CEF_1_k12
1
-9
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s743
Q6DHI5
[S@][Branch1][Ring1][OH0][H][Branch1][Branch1][CH2][CH2][SH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCS
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2C3C_1_k12
0
-3.7
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10267
P30613
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A9CEZ0
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3TOH_2_k12
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5VPS_1_k12
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4HBX_1_k12
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4RSD_1_k12
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64689
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444205
P01011
[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
AdPdVfPdVfTpKdLwVdCaDdGqDvTvYqKkCiTkAtYqLtDdFdGdDpGrRpWdViAdQmWdDhThNdVdFdHdTdGdAdPdVfPdVfTpKdLwVdCaDdGqDvTvYqKkCiTkAtYfLtDpFdGdDpGrRpWdViAdQmWdDhThNdVdFdHdTdGd
APVPVTKLVCDGDTYKCTAYLDFGDGRWVAQWDTNVFHTGAPVPVTKLVCDGDTYKCTAYLDFGDGRWVAQWDTNVFHTG
6JK3_2_k12
0
-4.9
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
137088
Q06187
[CH1][Branch1][Ring1][OH0][H][=CH1][OH0][H]
OC=CO
GdDdEdTdKdTdVdEpGdNdGdTdIdLdVdKpGdNdVdTdIdIdVdEpGdNdAdDdIdTdVdKpGdDdAdTdTdLdVdEpGdNdQdTdNdTdVdNpGdNdLdSdWdKdVdApGdTdVdDdWdDdVdGpGdDdWdTdEdKdMdApSdMdSdSdIdSdSpGdQdYdTdIdDdGdSpRdIdDdIdGdSdGfLfSaYfDaKfCqVwTwAcGaHdEdAqWwPhPiTwVgVwNhAaTdQdSdKpVdFdTdGpGrItAhVtLhVfAwGfDtPkItTdEwHtTfEgIpKdKpPpYgEdTiHdGmGwVtTwQdPaRdTdSpKdVdYdVd...
GDETKTVEGNGTILVKGNVTIIVEGNADITVKGDATTLVEGNQTNTVNGNLSWKVAGTVDWDVGGDWTEKMASMSSISSGQYTIDGSRIDIGSGLSYDKCVTAGHEAWPPTVVNATQSKVFTGGIAVLVAGDPITEHTEIKKPYETHGGVTQPRTSKVYVTGKKAVQMADPISCGDTVAQASSKVFIK
4KU0_2_k12
0
-2
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174
Q08881
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
PdFpTpAdDdKlGpKaCaGaLfPaEfIdFaDdPpPpEvEvLlElRvKqVlWvEvLvAlRvLqVlWlQvSwSdSaVeVeFeHeTeGeApGlIqSqTvAvSqGqIgPaDaFqRrGhPnHlGhVqWpTnMqEvEvRvGvLhAgPrKgFgDpTdTdFlElSgAgRaPgTdQlTlHlMlAlLqVqQqLcEvRqVqGpLsLhRqFaLyVeSyQcNdVqDsGqLhHnVqRqSqGqFrPaRqDvKrLyAfEhLqHqGfNhMqFqVwEkEaCfApKpCpKrTdQiYdVrRhDsTdVgVqGpTdMaGqLfKdAfTsGpRaLfCdTdVpAc...
PFTADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGA...
6QCH_2_k12
0
-2.5
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679
P58154
[OH0][=S@@][Branch1][C][CH3][CH3]
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5M1Y_1_k12
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s550
P0A2K1
[CH2][Branch1][S][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][CH2][CH1][=CH1][CH2][CH2][Se][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCC[Se]CCC=CCCCC(=O)OC[C@@H](O)CO
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8Q2O_1_k12
0
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s588
Q9H2K2
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CC(C)(C)CNC1NCC(C(N)=O)=C(N)N1
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4YQT_1_k12
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s743
P49321
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1ZQ5_1_k12
1
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s586
P29476
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CC1=CC(CCc2cccc([C@@H](N)CC3C=C(C)C=C(N)N3)c2)NC(N)=C1
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4CTP_1_k12
1
-10.5
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445184
P01854
[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
VdSdAkYdLkSdRwPfSaPlFcDcLqFqIpRvKqSwPtTkIiTkCiLkVdVkDqTvVkQdLkTdWkSdRkApSvGgKdPdVfQdHdSkTdRwKdEwEdKaQdRpNvGrTiLiTmViTmSiTiLgPtVdGhTnRvDcWqIvEvGwEiTkYmQkCiRdVmTdHcLdMiRdSiTdTgKdTdSdGdPdRfAdAaPkEdVkYdAkFeAkTdPdEdWdPpGpScRpDfKkRiTkLiAkCmLkIiQkNqFgMpPdEqDrIkSdVkQwWkLdHqNpEnVhQtLdPdDpAvRqHkSdTkTdQgPwRdKqTdKpGdShGiFtFmVmFmSm...
VSAYLSRPSPFDLFIRKSPTITCLVVDTVQLTWSRASGKPVQHSTRKEEKQRNGTLTVTSTLPVGTRDWIEGETYQCRVTHLMRSTTKTSGPRAAPEVYAFATPEWPGSRDKRTLACLIQNFMPEDISVQWLHNEVQLPDARHSTTQPRKTKGSGFFVFSRLEVTRAEWEQKDEFICRAVHEAASPSQTVQRAVSVN
5MOJ_1_k12
0
-3.1
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445257
P11172
[CH2][C@H1][Branch1][C][FH0][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](F)[C@@H](O)[C@@H]1O
EdSaAeCdTeLpQdSdEaTdHfPaPkLaTkWaQwKeCwSeSpGvGfTaCiTaQiQdTiGwSgVkVaIfDaAqNlWvRfWfTkHaAfTrNpSdSsThNgCqYaDdGfNaTaWgSdScTvLcCpPvDdNfEqTsCvAlKvNgCiChLtDyGhAdApYcAcSqTqYfGvVwThTdSdGyNnSkLiSkIgDfFaVwThQdSdAvQhKiNdVgGkAtRkLmYfLiMpAnSdDlTqTwYgQdEwFaTqLaLeGlNkEkFkSkFwDkVkDqVqSlQlLfPdCaGqLkNwGwAfLkYkFwVwSqMwDdAgDfGqGqVcSvKvYaPvTs...
ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWQANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGS...
4C4D_4_k12
2
-6
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6503
P0A9T3
[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
SdEdPdSdPlYkVdEkFdDfRlRvQvWqRlAvLlRlMpSpTqPdLdApLdTdEqEvEvLlVvGvLlRdGdLvGlEdQdIdDgLvLvEcVcErEsVpYvLsPsLvAlRvLvIvHvLvQvVlAvAvRvQqRvLvFvAqAvTvAcEvFvLvGvEhPdQgQdNpPpDpRqPgVfPaFaIeIeGeVeAaGeSfVdAqVlGcKsSsTsTvAqRvVsLnQqAvLsLnAcRpWdDvHvHrPfRfVeDeLeVaTeTqDvGlFqLfYaPfNvAvEvLcQvRvRvNvLnMpHlRaKgGqFaPpEvSrYgNpRqRvAlLvMqRvFqVlTcSc...
SEPSPYVEFDRRQWRALRMSTPLALTEEELVGLRGLGEQIDLLEVEEVYLPLARLIHLQVAARQRLFAATAEFLGEPQQNPDRPVPFIIGVAGSVAVGKSTTARVLQALLARWDHHPRVDLVTTDGFLYPNAELQRRNLMHRKGFPESYNRRALMRFVTSVKSGSDYACAPVYSHLHYDIIPGAEQVVRHPDILILEGLNVLQTGPTLMVSDLFDFSLYVDARIEDIEQWYVSRFLAMRTTAFADPESHFHHYAAFSDSQAVVAAREIWRTINRPNLVENILPTRPRATLVLRKDADHSINRLRLRKL
2GEV_3_k12
0
-2.6
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s177
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6UVB_1_k12
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978
P14489
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Nc1ccc(C(=O)O)cc1
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5Z79_3_k12
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