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
8172
P13103
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5JS6_1_k12
0
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753
P08709
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5PAY_1_k12
0
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753
A1WUH0
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7VS0_2_k12
0
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124886
Q16539
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444205
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8TBQ_1_k12
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86340818
P19549
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8117
P16083
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6MCP_1_k12
0
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174
G2Q1N4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3PCV_2_k12
0
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176
P03367
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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2AVO_2_k12
0
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753
Q5JGP4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
DdTdFpLvEvHlMvCvRpLdDdIdDpSpPdPfIfTlAdRfNwTfGaIeIeCeTeIaGaPpAqSqRqSaVlEvTsLlKlElMlIvKvSlGgMhNaVeAyReLyNeFpSlHdGdTdHlEvYvHvAlEsTsIlKvNsVnRvTvAsTqEcSvFpAvSvDdPlIlLpYrRfPfVhAaVyAeLyDeTfKnGfPpEwIkRwTaGaLaIdKqGpApEwVeEwLeKdKaGfAdTkLeKkIeTfLqDpNvAvYrMrEnKhCdDyEnNhIyLiWyLmDdYqKqNpIpClKpVfVdEdVaGqSfKwIkYaVkDaDlGrLqIwSiLwQgVfKh...
DTFLEHMCRLDIDSPPITARNTGIICTIGPASRSVETLKEMIKSGMNVARLNFSHGTHEYHAETIKNVRTATESFASDPILYRPVAVALDTKGPEIRTGLIKGAEVELKKGATLKITLDNAYMEKCDENILWLDYKNICKVVEVGSKIYVDDGLISLQVKQKGADFLVTEVENGGSLGSKKGVNLPGAAVDLPAVSEKDIQDLKFGVEQDVDMVFASFIRKASDVHEVRKVLGEKGKNIKIISKIENHEGVRRFDEILEASDGIMVARGDLGIEIPAEQVFLAQKMMIGRCNRAGKPVICATQMLESMIKKPRPTRAEGS...
4QG8_1_k12
0
-4.6
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s535
Q9H7Z6
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][Ring1][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][#Branch1][NH0][Branch1][C][H][CH2][CH2][CH0][Branch1][=N][NH0][Branch1][C][H][CH2][CH2][SH0][...
CC(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(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
KdYaVaDqKwIeHaIeGdNpYdEiIdDgAfWpYdFgSfPpFdPdEvDvYqGgKvQaPhKyLwWyLaCyEqYfCqLrKdYiMdKrYdEpKvSvYnRvFvHcLvGvQvCdQpWgRqQhPyPdGaKdEfIqYfRdKdSdNqIkStVkHhEkVaDaGcKvDvHsKvIvYsCqQlNsLqCqLrLvAvKrLsFpLdDdHpKdTdLdYrFrDpVrErPqFkViFkYiIfLiTfEgVdDdRpQrGgAtHgItVfGwYiFfSiKaEgKpEdSdPpDvGqNaNlVtSaCdItMdIgLpPpPvYnQpRpRaGfYvGrRlFaLvIvAlFvSs...
KYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSSVLLENLRDLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAPP
6BA4_1_k12
1
-9.4
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64960
Q13131
[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
LdTaAfPpSaIlKlSlGfTaIeLeHeAqWqNlWaSaFlNvTnLlKlHvNcMqKvDvIlHlDlAlGqYgTqAeIyQeTySqPaIfNaQeVfKdEcGpNpQvGvDdKfSfMpSlNsWsYvWrLsYlQaPaTqSaYlQdIgGaNyRdYrLrGgTgElQvEsFnKlEsMsClAvAsAnEvEvYsGnIhKaVyIeVyDeAqVnIpNfHfThThFlDpYvAvAsIrSdNvEnVqKvSvIpPdNqWfTfHlGaNqTdQdIqKdNdWpSlDdRlWcDsVqTqQrNhShLdLvGnLgYtDgWtNpTlQqNpTvQvVvQlSvYrLsKlRv...
LTAPSIKSGTILHAWNWSFNTLKHNMKDIHDAGYTAIQTSPINQVKEGNQGDKSMSNWYWLYQPTSYQIGNRYLGTEQEFKEMCAAAEEYGIKVIVDAVINHTTFDYAAISNEVKSIPNWTHGNTQIKNWSDRWDVTQNSLLGLYDWNTQNTQVQSYLKRFLERALNDGADGFRFDAAKHIELPDDGSYGSQFWPNITNTSAEFQYGQILQDSASRDAAYANYMDVTASNYGHSIRSALKNRNLGVSNISHYASDVSADKLVTWVESHDTYANDDEESTWMSDDDIRLGWAVIASRSGSTPLFFSRPEGGGNGVRFPGKS...
1BAG_2_k12
2
-5.2
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753
Q9Z2X8
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5PAO_1_k12
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s144
P97275
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5AE3_2_k12
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887
P22534
[CH3][OH0][H]
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1Q7A_2_k12
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s106
P12861
[C@@H1][Branch1][#Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][H][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH2][OH0][H]
CC(C)[C@H](CO)C(N)=O
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4S1P_1_k12
0
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174
P19139
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3MJD_1_k12
0
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439357
P03442
[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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1MQN_2_k12
0
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753
P00396
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5TLS_3_k12
0
-2.5
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447053
P09211
[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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5D63_6_k12
0
-4.4
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166451120
Q24498
[NH0][Branch2][Ring1][#Branch1][CH0][Branch2][Ring1][C][NH0][CH0][=Branch1][C][=CH2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][CH2][Ring1][=Branch2][=OH0][C@H1][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][C@H1][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Rin...
C=C1C(=O)NCCN1C(=O)N1C(c2ccc(OC)cc2OC(C)C)N[C@@H](c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1
EdTdLkVdRaPdKdPpLlLlLvKvLqLlKvSvVvGpAdQdKdDrTiYdTdMpKvEsVsLvFvYsLvGvQvYsIcMvTvKvRvLqYaDdEpKvQhQrHvIdVgYdClSpNpDpLsLsGvDvLvFvGpVdPdSdFdSdVpKvEpHpRvKvIvYvTvMvIvYvRvNvLdVdVdVdNd
ETLVRPKPLLLKLLKSVGAQKDTYTMKEVLFYLGQYIMTKRLYDEKQQHIVYCSNDLLGDLFGVPSFSVKEHRKIYTMIYRNLVVVN
8AEU_1_k12
2
-6
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439709
Q15149
[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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KMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFLRPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLLAAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEHLVRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVDTKRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPVLKKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVRPATKKVHTIFNQALTQTGRLS...
4YFU_4_k12
2
-5.4
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s730
P29473
[CH2][C@@H1][Branch2][Ring1][#Branch1][CH2][CH1][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH0][Branch1][C][CH3][=CH1][Ring1][O][C@@H1][Branch2][Ring1][Branch2][OH0][CH2][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH2][CH0][=CH1][CH1][=CH1][CH0][Branch1][C][FH0][=CH1][Ring1][#Branch1...
CC1=CC(C[C@@H]2CNC[C@@H]2OCCN[C@H](C)Cc2cccc(F)c2)NC(N)=C1
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GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWK...
3RQP_5_k12
1
-8.4
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8117
P00760
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
AdLdLdTaPlDvDqLcIpNpIqNvMvQlLlQvKvAlDqSvAlVlQcElVfTqGvLhDgIlKqGvIlClKcAvLvYqGvTdFaSdSdSqEaKeVeGeIeVaPfVaTqSpGdNvGgIgIhGhNcFpSsAvSsLvHvAvIlTqQvYvFrGpFhDnSyFdVyTaDpMhPhDdVpSvGsYvYvEvAcVvQvNvGpAhEqIwIyLwMyAdDdDpRpTwFtLkAiHaNgLnKvNqGgKdMmAdNtNlQqPlClTqGlIqIsYlAlEsIsAlSqRsYgLpKpAfDpSaKlDeVeLeVeVeGdLcGpKsVnGrFvPsGnAvElHnLsVv...
ALLTPDDLININMQLQKADSAVQEVTGLDIKGICKALYGTFSSSEKVGIVPVTSGNGIIGNFSASLHAITQYFGFDSFVTDMPDVSGYYEAVQNGAEIILMADDRTFLAHNLKNGKMANNQPCTGIIYAEIASRYLKADSKDVLVVGLGKVGFPGAEHLVQKDFRVYGYDADETLLERATSNLGIIPFDPANPKKFSIIFEATPCANTIPEAVLSENCVLSTPGIPCAISEELRDKYEVQLIAEPLGIGTASMLYSVL
4Q3D_3_k12
0
-2.3
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174
P03367
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SPWFGMDIGGTLVKLSYFEPIDITAEEEQEEVESLKSIRKYLTSNVAYGSTGIRDVHLELKDLTLFGRRGNLHFIRFPTQDLPTFIQMGRDTVLCATGGGAYKFEKDFRTIGNLHLHKLDELDCLVKGLLYIDSVSFNGQAECYYFANASEPERCQKMPFNLDDPYPLLVVNIGSGVSILAVHSKDNYKRVTGTSLGGGTFLGLCSLLTGCESFEEALEMASKGDSTQADKLVRDIYGGDYERFGLPGWAVASSFGNMIYKEKRESVSKEDLARATLVTITNNIGSVARMCAVNEKINRVVFVGNFLRVNTLSMKLLAYA...
7UE4_1_k12
0
-2.4
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s1005
Q9HBL8
[NH0][Branch1][C][H][Branch2][Ring1][C][CH1][NH0][Branch1][C][H][CH1][=CH1][CH1][=CH0][Ring1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=CH1][CH1][=CH1][CH0][Branch1][=Branch2][C@@][Branch1][C][FH0][Branch1][C][FH0][FH0][=CH1][Ring1][#Branch2]
O=C(O)C1=CC=CNC1Nc1cccc(C(F)(F)F)c1
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DKKLVVVFGGTGAQGGSVARTLLEDGTFKVRVVTRNPRKKAAKELRLQGAEVVQGDQDDQVIMELALNGAYATFIVTNYWESCSQEQEVKQGKLLADLARRLGLHYVVYSGLENIKKLTAGRLAAAHFDGKGEVEEYFRDIGVPMTSVRLPCYFENLLSHFLPQKAPDGKSYLLSLPTGDVPMDGMSVSDLGPVVLSLLKMPEKYVGQNIGLSTCRHTAEEYAALLTKHTRKVVHDAKMTPEDYEKLGFPGARDLANMFRFYALRPDRDIELTLRLNPKALTLDQWLEQHKGDFNL
2WM3_1_k12
2
-6
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s1078
P03367
[C@@H1][Branch2][Ring2][Ring2][CH2][NH0][Branch2][Ring1][#Branch1][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][=Branch2][CH2][C@H1][Branch1][Ring1][CH2][CH3][CH2][CH3][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring1][#Branch1][NH0][Branch2][R...
CCC(CC)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
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6DGZ_1_k12
1
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130820613
P68873
[CH3][C@][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]
C[C@@]1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
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VLSPADKTNVKAAWGKVGAHAGEYGAEALERMFLSFPTTKTYFPHFDLSHGSAQVKGHGKKVADALTNAVAHVDDMPNALSALSDLHAHKLRVDPVNFKLLSHCLLVTLAAHLPAEFTPAVHASLDKFLASVSTVLTSKYRVHLTPEEKSAVTALWGKVNVDEVGGEALGRLLVVYPWTQRFFESFGDLSTPDAVMGNPKVKAHGKKVLGAFSDGLAHLDNLKGTFATLSELHCDKLHVDPENFRLLGNVLVCVLAHHFGKEFTPPVQAAYQKVVAGVANALAHKYHVLSPADKTNVKAAWGKVGAHAGEYGAEALERMF...
3B75_1_k12
0
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64689
Q9ZEU2
[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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3CZG_1_k12
2
-5.7
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s924
A7XUK7
[CH0][Branch1][Ring1][OH0][CH3][=CH1][CH0][=CH0][Branch2][Ring1][Branch1][NH0][Branch1][P][CH0][=Branch1][C][=OH0][CH2][CH0][=CH1][CH0][Branch1][C][ClH0][=CH1][CH1][=CH1][Ring1][#Branch1][H][CH2][NH0][Branch1][C][H][CH1][=CH0][Ring2][Ring1][Ring1][CH1][=CH0][Ring2][Ring1][=Branch2][FH0]
COc1cc2c(cc1F)=CNCC=2NC(=O)Cc1cccc(Cl)c1
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGpTpTdTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVnIlCdTdSpEvDcMqLaNpPpNpYsEvDvLsLvIvRpKdSdNqHvNrFiLwViQgAdGpNpVdQtLwRgVfIpGdHwSdMdQqNaCrVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQdTkFwSkVwLqAfCdYaNnGsSgPtSdGdViYgQiCwAtMqRfPnNlFrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIqDdYpDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFSGFRKMAFPSGKVEG...
7GLH_2_k12
1
-7.1
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753
A0A4P1LYC9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
TdIwCwHwIwQdIdSpKpTdHgGdIdLiKdTdCdEpEaNqSkCwYkKfMkSdVqRpGpWhItIpGtRtGgCdGdCwPdSdAdVdRpPpRiQdVmQdCmCdTgSdDhKhCpNhYd
TICHIQISKTHGILKTCEENSCYKMSVRGWIIGRGCGCPSAVRPRQVQCCTSDKCNY
6R5M_2_k12
0
-1.8
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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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]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
449488
P00760
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1]
C1CNCN1
IdVaGqGfYdTfCcGdAqNlTpVvPqYqQwVkSfLkNdSqGpYhHgFfCeGiGwSgLaIaNfSqQwWkViVkSfAfAqHvCpYdKdSpGrIiQwViRwLgGrEdDfNqIpNvVdVdEpGdNrEiQdFiIfStAwSpKdSkIaVqHdPpSpYqNdSvEvTqYrNdNsDgImMmLmItKtLtKpSdAgAdSdLdNdSsRsVhAhShIfSaLaPdTpSdCaAdSdAfGfTfQkCwLkIaSkGfWqGaNfThKdSlSpGdTgSdYtPdDrVgLmKtCiLdKiAkPtIwLhSdDpSvSlCqKcSvAlYpPpGpQrIdTdSpNqMk...
IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSETYNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
1Y59_1_k12
0
-2
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174
P24941
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6JIW_1_k12
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6BT4_1_k12
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8117
P00763
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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EVQLVESGGGLVQPGGSLKLSCATSGFPFSNVWMHWVRQASGKGLEWIAHIKAKSDNYATYYAESVKGRFTISRDDSKTTIYLQMNSLKTEDTAVYYCTGLDYWGQGTTVTVSSASTKGPSVFPLAPSSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEPDVVMTQSPLSLPVTPGEPASISCRSSRSLLTSKGITSLYWYLQKPGQSPQLLIYRMSNLASGIPDRFSGSGSGTDFTLKISRVEAEDVGVYYCAQFLVYPYTFGPGTKVE...
8T51_3_k12
0
-3.7
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753
Q6AXV9
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TKQITLYTATFSPYAHRVRIALEEAGAEYTTYDVDILRNMPDWFPLVNPLKKIPAMTFGGPEVPPDQPSPESAKIAESLAMLEFIADLFPDAKLLPTDPVLRARARTFMALYENYVNGQFRDVWFLGTPADPLLQALEMLQGALPPDGGFAAGEWSIADAAVIPFLARMFPYLEAGLGLYSKEDGVKMRKAMASERFARIRQYVRDCRARPSFANTWAGDAEQVEAAKTVPMLRVGEHHHHTKQITLYTATFSPYAHRVRIALEEAGAEYTTYDVDILRNMPDWFPLVNPLKKIPAMTFGGPEVPPDQPSPESAKIAESL...
6F4K_1_k12
0
-3.5
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753
Q3Z4W6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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VPMVDIYSRLLKERVIFLTGQVEDHMANLIVAQMLFLEAENPEKDIYLYINSPGGVITAGMSIYDTMQFIKPDVSTICMGQAASMGAFLLTAGAKGKRFCLPNSRVMIHQPLGGYQGQATDIEIHAREILKVKGRMNELMALHTGQSLEQIERDTERDRFLSAPEAVEYGLVDSILTHRNLVPMVDIYSRLLKERVIFLTGQVEDHMANLIVAQMLFLEAENPEKDIYLYINSPGGVITAGMSIYDTMQFIKPDVSTICMGQAASMGAFLLTAGAKGKRFCLPNSRVMIHQPLGGYQGQATDIEIHAREILKVKGRMNEL...
6NB1_2_k12
0
-3.8
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753
P54635
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2WHV_1_k12
0
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753
P45481
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2E15_2_k12
0
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176
Q09573
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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6WIP_1_k12
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174
P0DOX7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8OO5_1_k12
0
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753
Q9FFF6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7V2U_1_k12
0
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753
P16083
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4YMD_1_k12
0
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s890
Q07889
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O=C(O)CC1=C2CC=CC=C2ON1
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4CK2_2_k12
2
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s1094
Q6WY08
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3DAU_1_k12
1
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10130163
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3OJG_1_k12
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3PS9_2_k12
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5D25_2_k12
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753
Q46E80
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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ADFKFEPMRSLIYVDCVSEDYRPKLQRWIYKVHIPDSISQFEPYVTKYAFYPSFPIPPQGDRFGYARMQLTEHHWLVSDLDPRLEIKAIAETFPMDVLVWQGQIPAAAHAEGNPFIFAFLPMWWEKDLKGKGRTIEDGANYRFNMTIGFPEGVDKAEGEKWLFEKVVPILQAAPECTRVLASAVKKDINGCVMDWVLEIWFENQSGWYKVMVDDMKALEKPSWAQQDAFPFLKPYHNVCSAAVADYTPSNNLANYRGYITMR
4C9S_1_k12
0
-3.7
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753
P49720
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdSpHkMwKkFaTkVfEwRlEvHqLvLqKvPqLlQvQlVqScGpPlLdGdGpRdPaTpLdPvIqLlGqNkLwLkLwQwVdAdDdGqTkLtSwLtTkGhTdDrLvEfMkEiMkViAfRiVgAgLgVpQdPdHtEdPtGdAiTwTiVfPrAsRvKvFvFnDvIvCsRvGpLdPdEpGrAwEmIwAiVwQiLdEdGpEqRwMiLwViRdStGdRhSdRiFdStLtSgTtLdPgAsAvDpFdPdNdLpDdDdWfQaSfEdVwEkFdTwLaPwQlAvTvMlKlRlLqIcElAqTwQvFvSaMqAaHdQpDdVpRqYqYlLsNqGw...
GSHMKFTVEREHLLKPLQQVSGPLGGRPTLPILGNLLLQVADGTLSLTGTDLEMEMVARVALVQPHEPGATTVPARKFFDICRGLPEGAEIAVQLEGERMLVRSGRSRFSLSTLPAADFPNLDDWQSEVEFTLPQATMKRLIEATQFSMAHQDVRYYLNGMLFETEGEELRTVATDGHRLAVCSMPIGQSLPSHSVIVPRKGVIELMRMLDGGDNPLRVQIGSNNIRAHVGDFIFTSKLVDGRFPDYRRVLPKNPDKHLEAGCDLLKQAFARAAILSNEKFRGVRLYVSENQLKITANNPEQEEAEEILDVTYSGAEMEI...
7AZF_2_k12
0
-3.4
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s76
P04181
[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][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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PTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGIILR...
1GBN_2_k12
2
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67448541
P0A385
[CH1][=CH0][Branch1][Ring1][OH0][H][CH0][Branch1][=N][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][=CH0][Branch1][N][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][CH2][CH2][CH2][CH3][CH1][=CH0][Ring2][Ring1][O][OH0][H]
CCCCCCCCC(=O)c1c(O)cc(O)cc1CC(=O)OCCCCC
AdNvLlLlTvSlLlVlRvAlHvLvDvSlGaPdSdTpAvKlLaDdYcSpKpFaQdElLdVdLdPdHdFaGpKaEaDaApGvDlVqQvQvFlYlDvLlLlSvGvSnLlEvVsIvRlKsWsAqEcKsInPpGlFlAvEpLfSdPpAvDlQsDlLvLlLsElSqAlFsLlElLlFqIlLvRvLqAlYqRpSaKdPlGvEsGqKwLgIqFgCrSsGnLyViLyHgRvLvQsCnAcRrGnFqGnDcWlIsDvSlIsLnAvFvSsRvSvLvHvSvLlLpVqDdVsPsAlFvAsClLvSsAvLlVsLrIlTaDdRdHpGpLgQpEcPn...
ANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPHFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFILRLAYRSKPGEGKLIFCSGLVLHRLQCARGFGDWIDSILAFSRSLHSLLVDVPAFACLSALVLITDRHGLQEPRRVEELQNRIASCLKEHVAAVAGASCLSRLLGKLPELRTLCTQGLQRIFYLKLEDLVPPPPIIDKIFMDTLPFPANLLTSLVRAHLDSGPSTAKLDYSKFQELVLPFGKEDAGDVQQFYDLLSGSLEVIRKWAEKIPGFAELSPADQDLLLESAFLELFI...
4RZG_1_k12
2
-5.8
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753
Q9UJ37
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdSkHkSkMkRkYkFkFwTkSwVkSdRdPfGpRpGdEqPiRwFiIkAmVwGiYdViDqDlThQtFfVwRiFaDtSpDpAdAdSpQlRwMiEdPtRdAdPpWlIcErQvEvGdPdEvYvWgDvGvErTsRvKvVvKvAvHvSvQvTvHvRsVvDvLvGvTvLvRcGvYlYvNvQhSdErArGdSmHwTmVkQmRkMmYwGiCfDmVaGdSpDvWlRaFtLdRwGiYwHiQfYiAdYiDrGpKhDgYaIkAiLqKdEgDvLlRqSaWiTdAgApDdMdAsAsQvTvTvKrHvKvWcEnAvAvHvVvAsEvQvLrRvAcYcLh...
GSHSMRYFFTSVSRPGRGEPRFIAVGYVDDTQFVRFDSDAASQRMEPRAPWIEQEGPEYWDGETRKVKAHSQTHRVDLGTLRGYYNQSEAGSHTVQRMYGCDVGSDWRFLRGYHQYAYDGKDYIALKEDLRSWTAADMAAQTTKHKWEAAHVAEQLRAYLEGTCVEWLRRYLENGKETLQRTDAPKTHMTHHAVSDHEATLRCWALSFYPAEITLTWQRDGEDQTQDTELVETRPAGDGTFQKWAAVVVPSGQEQRYTCHVQHEGLPKPLTLRWEMIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGE...
2X4U_1_k12
0
-4.3
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s51
A5A6P1
[P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][C][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@@H1][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring1][Ring2][NH0][CH2][CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][=C...
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
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VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEGRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
1BOZ_2_k12
1
-10.4
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117587709
Q9PPB4
[CH2][Branch2][Ring1][#Branch2][C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH2][C@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][#Branch2][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H]
NCCCC[C@@](N)(CC[C@](N)(CCCCN)C(=O)O)C(=O)O
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KNIIIGAMTALITPFKNGKVDEQSYARLIKRQIENGIDAVVPVGTTGESATLTHEENRTCIEIAVETCKGTKVKVLAGAGSNATHEAVGLAKFAKEHGADGILSVAPYYNKPTQQGLYEHYKAIAQSVDIPVLLYNVPGRTGCEISTDTIIKLFRDCENIYGVEASGNIDKCVDLLAHEPRMMLISGEDAINYPILSNGGKGVISVTSNLLPDMISALTHFALDENYKEAKKINDELYNINKILFCESNPIPIKTAMYLAGLIESLEFRLPLCSPSKENFAKIEEVMKKYKIKGFKNIIIGAMTALITPFKNGKVDEQSY...
7KM1_4_k12
2
-6.5
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s548
Q96P15
[NH0][Branch1][C][H][OH0][CH1][Branch1][P][CH0][=CH1][NH0][Branch1][C][CH3][CH0][=CH0][Ring1][=Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][Ring2][CH2][OH0][H][=CH0][Ring2][Ring1][Ring1][CH0][=Branch1][C][=OH0][OH0][H]
Cn1cc(C2ONC(C(=O)O)=C2CO)c2ccccc21
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KLQADSNYLLSKEYEELKDVGRNQSCDIALLPENRGKNRYNNILPYDATRVKLSNVDCSDYINASYIPGNNFRREYIVTQGPLPGTKDDFWKMVWEQNVHNIVMVTQCVEKGRVKCDHYWPADQDSLYYGDLILQMLSESVLPEWTIREFKICGEEQLDAHRLIRHFHYTVWPDHGVPETTQSLIQFVRTVRDYINRSPGAGPTVVHCSAGVGRTGTFIALDRILQQLDSKDSVDIYGAVHDLRLHRVHMVQTECQYVYLHQCVRDVLRARK
8JBY_2_k12
1
-7.4
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753
Q9ZNN8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7ORZ_2_k12
0
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8200
Q15722
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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4DZ5_4_k12
0
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8175
B4RNT1
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH1][=OH0][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCC=O
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8SO5_1_k12
2
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s20
P22455
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DLPLDPLWEFPRDRLVLGKPLGEGGQVVRAEAFGMDPARPDQASTVAVKMLKDNASDKDLADLVSEMEVMKLIGRHKNIINLLGVCTQEGPLYVIVECAAKGNLREFLRARRPPGSSEGPLSFPVLVSCAYQVARGMQYLESRKCIHRDLAARNVLVTEDNVMKIADFGLPVKWMAPEALFDRVYTHQSDVWSFGILLWEIFTLGGSPYPGIPVEELFSLLREGHRMDRPPHCPPELYGLMRECWHAAPSQRPTFKQLVEALDKVLLAVS
6NVJ_1_k12
1
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s579
Q04771
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O=C1NCNC2=C1NCN2[C@@H]1O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
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2PRJ_1_k12
1
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8172
Q8N1Q1
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2BIE_2_k12
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5ZJZ_2_k12
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71748684
Q8DIF8
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4L8M_2_k12
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s408
P0DTC1
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7GFD_2_k12
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439846
P68712
[C@H1][Branch1][C][CH3][Branch1][Ring2][CH2][OH0][H][OH0][H]
C[C@H](O)CO
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8U0R_8_k12
0
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284
P14489
[CH1][=Branch1][C][=OH0][OH0][H]
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6SKR_1_k12
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284
P30376
[CH1][=Branch1][C][=OH0][OH0][H]
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1I13_2_k12
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311
P15121
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3LEP_3_k12
0
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174
Q02127
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5U6V_1_k12
0
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8117
Q15PR4
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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ELLPPIAHLYELPISKEASGLVHRTRQEISDLVHGRDKRLLVIIGPCSIHDPKAALEYAERLLKLRKQYENELLIVMRVYFEKPRTTVGWKGLINDPHLDGTFDINFGLRQARSLLLSLNNMGMPASTEFLDMITPQYYADLISWGAIGARTTESQVHRELASGLSCPVGFKNGTDGNLKIAIDAIGAASHSHHALSVTKAGHSAIVHTGGNPDCHVILRGGKEPNYDAEHVSEAAEQLRAAGVTDKLMIDCSHANSRKDYTRQMEVAQDIAAQLEQDGGNIMGVMVESHLVEGRQDKPEVYGKSITDACIGWGATEELL...
5D09_3_k12
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753
A0QNZ7
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6PJV_2_k12
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s752
O55173
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4RQV_3_k12
1
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174
Q16611
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6UXQ_2_k12
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444205
B1JQ60
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7LYU_3_k12
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4AK7_3_k12
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753
P04825
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4XND_2_k12
0
-3.3
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753
Q15PR4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MQKSVLEQLKQVTMVVADTGDFELIKKYKPVDATTNPSLILKAVKEQKYSNLVAETISKVKANNPDLNSDDLVKEIAIEILVSFGIKILDVIEGKVSSEVDARVSFNSATTIDYAKRIIARYESNGIPKDRVLIMIAATWEGIKAAKLLQKEGINCNLTLIFDKAQAKACAEAGVYLVSPFVGRITDWQMQQNNLKTFPAIADDDGVNSVKAIYKLYKSHGFKTIVMGASFRNVEQVIALAGCDALTISPVLLEELKNRDEHLEVKLTSPQISEADFRWLMNENAMATHKLAEGIRLFTKDTIELENIIKQNL
3TKF_4_k12
0
-3.2
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s17
P02945
[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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2R5D_3_k12
0
-4
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74563
Q72IB8
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5TIG_1_k12
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446996
Q02127
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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8DJ7_4_k12
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8200
986717
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OCCOCCOCCOCCO
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8B1F_1_k12
0
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8172
P02945
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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PLSHLRLTARLNTSALDSRRGVVRLHPEVLAALGIREWDAVALTGTRTTAAVAGVAGPGVPAGTALLDDVTLSNAGVRENAAVLVSPVTVYGARSVTVSGSRLATQSISPATLRMALLGKVMTVGDTVSLLPRDSAATSALASSVGITWTSELLTVTAVDPPGTVSVQPNSVVSWGPPTGRHTVSPQRSEQPVSFDDVKVTHPQAVKLDEWLRLSLDEPELLKTLGATPHLGVLVSGPAGVGKATMVRAVCASRRVVELDGPEVGALQVDERLRSVTSAVAAVTESGGVLFIADVDALLPAGNEMRPPEPVATLILAELR...
5E7P_3_k12
0
-4.6
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s171
P0DTC1
[C@@H1][Branch2][Ring1][Ring1][CH2][SH0][CH2][CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH0][=Branch1][C][=OH0][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H...
NC1=C2NCN([C@@H]3O[C@@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]3O)C2NCN1
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LYPAIPAARRRPIRVLSLFDGIATGYLVLKELGIKVGKYVASEVCEESIAVGTVKHEGNIKYVNDVRNITKKNIEEWGPFDLVIGGSPCNDLSNVNPARKGLYEGTGRLFFEFYHLLNYSRPKEGDDRPFFWMFENVVAMKVGDKRDISRFLECNPVMIDAIKVSAAHRARYFWGNLPGMNRPVIASKNDKLELQDCLEYNRIAKLKKVQTITTKSNSIKQGKNQLFPVVMNGKEDVLWCTELERIFGFPVHYTDVSNMGRGARQKLLGRSWSVPVIRHLFAPLKDYFACE
6U8V_1_k12
1
-8.7
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753
P85302
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DAGKSDLDAAVEATIPPLMKAKDIPGMAVAVLADGKAHYFNYGVASRETGQPVTQDTLFELGSISKTFTGILGGYALAQGKLSLADKASRYQPELKGSVFDRVSLLQLATYSAGGLPLQFPDAVAGQASMLAYYRGWKPDYAPGERRLYSNPSIGLFGHLAARSLGQPFDQAMERGLLPKLGLSHTFIHVPEAEQSRYAWGYAGVLDAEAYGIKSSAADLLKYLAINMSPPADPALQRALDASHAAYYRVGDMRQGLGWEGYRYPISLERLLAGNSNEIAFQPQKVEWLNPPRLAEGDVLLNKTGSTSGFGAYVLFVPAR...
5EVL_1_k12
0
-2.7
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679
Q8T9Z7
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7FX9_2_k12
0
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146018721
P19549
[NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][CH2][CH2][C@H1][Branch1][=C][CH0][Branch1][#Branch2][NH0][Branch1][C][CH3][C@H1][Branch1][C][CH3][CH3][=OH0][CH2][CH2][Ring1][S]
CC(=O)N1CCC(C(=O)N(C)C(C)C)CC1
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
5RFY_2_k12
2
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679
Q5T0W9
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6ZEX_1_k12
0
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174
P05024
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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Q9F663
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OCC(O)CO
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4YFM_1_k12
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5288834
P39597
[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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MEEQIVPFYGKHQAGITTAHQTYVYFAALDVTAKEKSDIITLFRNWTSLTQMLTSGKKMSAEQRNQYLPPQDTGESADLSPSNLTVTFGFGPSFFEKDGKDRFGLKSKKPKHLAALPAMPNDNLDEKQGGGDICIQVCADDEQVAFHALRNLLNQAVGTCEVRFVNKGFLSGGKNGETPRNLFGFKDGTGNQSTEDDSLMNSIVWVQSGEPDWMTGGTYMAFRKIKMFLEIWDRSSLKDQEDTFGRRKSSGAPFGQKKETDPVKLNQIPSNSHVSLAKSTGKQILRRAFSYTEGLDPKTGYMDAGLLFISFQKNPDNQFI...
7DLK_3_k12
0
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s272
Q9FCA7
[CH0][Branch1][Ring1][OH0][CH3][=CH1][CH1][=CH1][CH0][Branch1][O][NH0][NH0][=NH0][NH0][Branch1][C][H][CH2][Ring1][=Branch1][=CH1][Ring1][=C]
COc1cccc(N2CNN=N2)c1
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SMQRASRLKRELHMLATEPPPGITCWQDKDQMDDLRAQILGGANTPYEKGVFKLEVIIPERYPFEPPQIRFLTPIYHPNIDSAGRICLDVLKLPPKGAWRPSLNIATVLTSIQLLMSEPNPDDPLMADISSEFKYNKPAFLKNARQWTEKHAR
8JVE_2_k12
0
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78798
Q9JXK7
[OH0][Branch1][=C][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCOCCO
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GATSWLDGSGQIHLRIYSLQQSNGKLLERCWDSNKWYDGALTNQFSAISGAGATSWLDSSGQIHIRVYAIGTDGKIIELCWDKDKWYSGALTGQFYGASTPDATSWLDKNGQIHIRVYAYNQDNVQKEYCWDGSKWYVGAYTE
6HTN_4_k12
0
-3.4
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8117
P29473
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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3X1M_1_k12
0
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798
Q55688
[NH0][Branch1][C][H][CH1][=CH1][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][#Branch2][Ring1][=Branch1]
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7ZHI_1_k12
2
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s94
P15090
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7G1J_1_k12
1
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