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
10614514
Q8RQU9
[C@H1][Branch2][Ring1][=Branch1][NH0][Branch1][C][H][C@H1][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH2][OH0][C@@H1][Ring1][#Branch2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH0][Branch1][Ring2][CH2][OH0][H][=CH1][Ring2][Ring1][N]
C[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1N[C@@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O
MdAdGaLwGaNfVwTpGdAwVdAdSdGqDqSkLiTkLtTwLtDdNpGpTdSpAqStDwIiLwEiLwDgVdLqSeEqEfLkLiRkViDkYtRfPhSsGpAdAdPkSfPdSfTdPlMlIfDdPpDpAfShWgDdArVqGrAwTdIwDaTpSpGdDaPfItVwViThTgPqRfMwRiIwEtIfAgRgTgPgAtRkMiTwIiKaKgAnDvGrThTtLaLkWiEaPdApSrGhGaVdFdEqDfGwVgRkFiQfRgGqSlTpDwNwIkYfGfIfRkSaFdNaApQpEdDdVgGdGdLgLtRcNaSfSdDfHdPkAaHdAcGdQdQh...
MAGLGNVTGAVASGDSLTLTLDNGTSASDILELDVLSEELLRVDYRPSGAAPSPSTPMIDPDASWDAVGATIDTSGDPIVVTTPRMRIEIARTPARMTIKKADGTTLLWEPASGGVFEDGVRFQRGSTDNIYGIRSFNAQEDVGGLLRNSSDHPAHAGQQGDAGGPFMWSTAGYGVLVDSDGGYPYTDTTGKLEFYYGGTPTEGRRYTKTNVEYYIMVGEPKEIMASYAQVTGTAPMLPKWSLGFMNFEWGIDQDELEAHVDGYRARNIPIDAFALDYDWMDYGEDNYGEFRWNTDNFPDAATTQLKEDMEAEGIRLIGI...
5X7P_3_k12
2
-5.7
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311
P21453
[C@][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)(CC(=O)O)C(=O)O
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5K5D_1_k12
2
-5.3
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753
O14684
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7O6F_1_k12
0
-2.4
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753
P00760
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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3A7Z_2_k12
0
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1567
Q9NVS9
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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1NRG_2_k12
0
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s574
P28845
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5U08_2_k12
2
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61503
Q11CV9
[C@H1][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
C[C@@H](O)C(=O)O
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2FN7_3_k12
0
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602
Q83A83
[NH0][Branch1][C][H][Branch1][O][CH1][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][H][H]
CC(N)C(=O)O
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4IYO_2_k12
0
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12725
Q04771
[NH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][Branch1][C][H][C@@H1][Branch1][C][CH3][CH3]
CC(C)NC(N)=O
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ARDITLLECVGKGRYGEVWRGSWQGENVAVKIFSSRDEKSWFRETELYNTVMLRHENILGFIASDMTSRHSSTQLWLITHYHEMGSLYDYLQLTTLDTVSCLRIVLSIASGLAHLHIEIFKPAIAHRDLKSKNILVKKNGQCCIADLGLAVMHSQSTNQLDVGNNPRVGTKRYMAPEVLDETIQVDCFDSYKRVDIWAFGLVLWEVARRMVSNGIVEDYKPPFYDVVPNDPSFEDMRKVVCVDQQRPNIPNRWFSDPTLTSLAKLMKECWYQNPSARLTALRIKKTLTKID
5S7V_4_k12
0
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s489
Q42525
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CCC(=O)N1CCN(C2=C3CC(Cl)=C(C4=C(C)C=CC5NNC=C45)C=C3NCN2)CC1
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7RP4_2_k12
1
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753
P67999
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6PNE_1_k12
0
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444205
P81446
[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]
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4JKX_3_k12
0
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264
Q6P179
[CH0][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][CH2][CH2][CH3]
CCCC(=O)O
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6EB3_1_k12
0
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8172
P07395
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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6OZ5_4_k12
0
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8117
E1V7V7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6GTV_1_k12
0
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174
P24863
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3MOE_2_k12
0
-2.6
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s580
Q830B9
[ClH0][CH0][=CH1][CH1][=CH0][CH0][=Branch2][Ring1][=N][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH0][Branch1][C][CH3][NH0][Ring1][P][H][CH2][Ring2][Ring1][=Branch1]
CC1=C(C(=O)O)C(c2ccccc2)=C2CC(Cl)=CC=C2N1
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5HZ9_1_k12
1
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679
P07711
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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GETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWDGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKRE
7H23_1_k12
0
-1.5
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62551
P22262
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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SNAPDNYFSGQQLTLARAIENGEVDEVIKLASGTDLNKPGKEDMTLLFWAVMNSINNQKTPERLNVITMLIKAGADPLQPRPQGKNSPAEFVLMADNADWIKAMLNAGLSPNAVDKTFGKPIIFQTLEAKNTKTLQAMLDKGADINITDSLGNTLLIDALDFHSYDHVLLLLERGADPE
7KB2_3_k12
0
-3.6
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90655273
Q6P9V9
[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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5S5I_2_k12
0
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753
P17164
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4NI3_4_k12
0
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753
345823
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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CEASAFIVNGDKEELFLERVDKLIPTEEGLLLENIFGQRKVIKAKIKRLELVDHRILLERE
6FAN_2_k12
0
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s141
P07900
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COc1ccc(C2=C(NC(=O)C3CC3)ONC2c2cc(Cl)c(O)cc2O)cc1
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VETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVE
5XRB_1_k12
1
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s188
P0C6U8
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O=C[C@H](CC1=CNCN1)NC[C@@H]1C[C@H]2CCCC[C@@H]2CN1C(=O)c1ccc(-c2ccccc2)cc1
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdTnTaTiLaNiGwLgWaLaDfDqTkVtYkCfPfRlHcVnIlCdTdApEpDcMqLlNpPhNdYsEvDvLsLvIvRpKdSdNqHvSsFmLwViQdAdGpNpVdQtLwRgVfIpGdHwSdMdQqNaCgLmLiRiLtKgVtDpTgStNrPpKsTnPwKaYeKdFwVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrShPtSdGdViYgQmCwAgMqRfPpNlHrTwItKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYdDrCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDIQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFQ
4TWY_1_k12
1
-8.4
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s635
P29016
[CH2][Branch2][Ring1][Branch1][OH0][CH0][=Branch1][C][=OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH1][=CH1][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH3]
CCCCCC=CCCCCCCCC=CC=CCOC(=O)CCCCCCCCCCCCCCC
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6D64_7_k12
1
-8.5
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79025
Q9HBA0
[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
MdFdNfRqPvIvLlFlDvIcVlSlRvGlSpTpAvDvLcDpGpLvLlPvFvLcLvTvHvKvKhRaLqTqDdEpErFqRaEdPnSqTfGsKhTtCsLlPlKsAnLlLvNrLaSdNvGsRdNrDpTcInPvVvLsLqDvIsAcEvRvTsGvNhMrRqEvFvIqNqSrPaFgRpDhIqYaYqRgGqQdTgAsLlHvIsAcIlEvRvRpCpKvHvYvVnEvLvLsVqAvQsGhAhDdVqHfAtQfArRdGhRqFqFqQdPdKvDvEsGvGhYpFhYhFqGqErLgPsLlSsLsAnAlClTvNqQnPvHvIvVnNvYcLqTqEdNd...
MFNRPILFDIVSRGSTADLDGLLPFLLTHKKRLTDEEFREPSTGKTCLPKALLNLSNGRNDTIPVLLDIAERTGNMREFINSPFRDIYYRGQTALHIAIERRCKHYVELLVAQGADVHAQARGRFFQPKDEGGYFYFGELPLSLAACTNQPHIVNYLTENPHKKADMRRQDSRGNTVLHALVAIADNTRENTKFVTKMYDLLLLKCARLFPDSNLEAVLNNDGLSPLMMAAKTGKIGIFQHIIRREV
4DX2_2_k12
0
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753
Q60318
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7YZQ_4_k12
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s325
C0KTJ6
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH1][=CH1][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1C=COCC1
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5PXE_1_k12
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4369116
Q09328
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4CX4_3_k12
1
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s691
P36544
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4H48_2_k12
0
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8172
O88279
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
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6CHN_1_k12
0
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5327006
P00560
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3PGK_1_k12
0
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1031
P05164
[CH2][Branch1][Ring1][OH0][H][CH2][CH3]
CCCO
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PTREDLVATAKLFIAKYNEFTPESIISVRTPNSVSHRLFPTRNATRNIGESMEACANAKEVFKSLTVSVIDDNDTIVDERTRKVVFYLASRGDTIVGEWKSECIFIFQMSEDGKLVDRIWAGFDTAYMDEFESRLDGIPTREDLVATAKLFIAKYNEFTPESIISVRTPNSVSHRLFPTRNATRNIGESMEACANAKEVFKSLTVSVIDDNDTIVDERTRKVVFYLASRGDTIVGEWKSECIFIFQMSEDGKLVDRIWAGFDTAYMDEFESRLDGIT
5WQF_1_k12
0
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64689
P00282
[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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1GJW_1_k12
0
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445395
Q3UMU9
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][=CH0][Ring1][#Branch2][NH0][Branch2][Ring1][=N][CH2][C@@H1][Branch2][Ring1][=Branch1][C@@H1][Branch1][P][C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][OH0][H][OH0][H][OH0][H][CH0][=CH0][Branch1][...
Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)O)c1[nH]c(=O)[nH]c(=O)c1N2
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MCLKLNLLDHVFANPFMNAAGVLCSTEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDYSKKPLFLSISGLSVEENVAMVRRLAPVAQEKGVLLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRCPDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTIE
3W72_1_k12
1
-10.3
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s709
Q16539
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Cc1ccc(N2NC(C(C)(C)C)=C[C@@H]2NC(=O)Nc2cccc(Nc3ccc4c(c3)CCCCC4=O)c2)cc1
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RPTFYRQELNKTIWEVPERYQNLSPVGSGAYGSVCAAFDTKTGLRVAVKKLSRPFQSIIHAKRTYRELRLLKHMKHENVIGLLDVFTPARSLEEFNDVYLVTHLMGADLNNIVKCQKLTDDHVQFLIYQILRGLKYIHSADIIHRDLKPSNLAVNEDCELKILDFGLATRWYRAPEIMLNWMHYNQTVDIWSVGCIMAELLTGRTLFPGTDHIDQLKLILRLVGTPGAELLKKISSESARNYIQSLKMNFANVFIGANPLAVDLLEKMLVLDSDKRITAAQALAHAYFAQYHDPDDEPVADPYDQSFESRDLLIDEWKSL...
3UVR_2_k12
1
-16.3
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s877
O14649
[CH2][CH2][NH0][Branch2][Ring1][#C][CH2][CH0][=CH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][#Branch1][NH0][Branch1][C][H][CH1][NH0][Ring1][=N][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH2][CH2][NH0][Ring2][Ring1][Branch2][CH0][=Branch1][C][=OH0][C@@H1][NH0][Branch1][C][H][CH0][Branch1][#Bran...
O=C([C@H]1C=CC=C(OC(F)(F)F)N1)N1CCN(CC2=C(c3ccc(Cl)cc3)NC3C=CC=CN23)CC1
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MKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRARYNLSQGGYEELERVVLRLKPHKAGVQWRFAGSFYFAITVITTIGYGHAAPSTDGGKVFCMFYALLGIPLTLVMFQSLGERINTLVRYLLHRAKKGLGMRRADVSMANMVLIGFFSCISTLCIGAAAFSHYEHWTFFQAYYYCFITLTTIGFGDYVALQKDQALQTQPQYVAFSFVYILTGLTVIGAFLNLVVLRFMTMNAEDEKRDMKRQNVRTLALIVCTFTYLLVGAAVFDALESEPELIERQRLELRQQELRARYNLSQGGYEELE...
6RV4_3_k12
1
-12.4
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s711
P70790
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][CH1][=OH0][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][Ring1]
CC1NC=C(COP(=O)(O)O)C(C=O)=C1O
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QAQPVLVFKLTADFREDPDPRKVNLGVGAYRTDDCHPWVLPVVKKVEQKIANDNSLNHEYLPILGLAEFRSCASRLALGDDSPALKEKRVGGVQSLGGAGALRIGADFLARWYNGTNNKNTPVYVSSPTWENHNAVFSAAGFKDIRSYRYWDAEKRGLDLQGFLNDLENAPEFSIVVLHACAHNPTGIDPTPEQWKQIASVMKHRFLFPFFDSAYQGFASGNLERDAWAIRYFVSEGFEFFCAQSFSKNFGLYNERVGNLTVVGKEPESILQVLSQMEKIVRITWSNPPAQGARIVASTLSNPELFEEWTGNVKTMADRI...
6DNA_1_k12
1
-7.5
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s986
P80043
[CH1][Branch2][Ring1][O][NH0][Branch1][C][H][CH1][CH0][=CH0][Branch1][=N][NH0][Branch1][C][H][CH1][Branch1][C][CH3][NH0][Ring1][Branch2][H][CH1][=CH1][SH0][Ring1][O][CH0][=CH0][Branch1][#Branch2][NH0][Branch1][C][H][NH0][Ring2][Ring1][Ring2][H][C@@][Branch1][C][CH3][Branch1][C][CH3][NH0][Branch2][Ring1][#Branch2][CH0][...
CC1Nc2ccsc2C(NC2NNC3=C2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)N1
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MSHEQFRAALQLVVDPGDPRSYLDNFIKIGEGSTGIVCIATVRSSGKLVAVKKMDLRKQQRRELLFNEVVIMRDYQHENVVEMYNSYLVGDELWVVMEFLEGGALTDIVTHTRMNEEQIAAVCLAVLQALSVLHAQGVIHRDIKSDSILLTHDGRVKLSDFGFCAQVSKEVPRRKSLVGTPYWMAPELISRLPYGPEVDIWSLGIMVIEMVDGEPPYFNEPPLKAMKMIRDNLPPRLKNLHKVSPSLKGFLDRLLVRDPAQRATAAELLKHPFLAKAGPPASIVPLMRQNRT
2X4Z_2_k12
1
-8.8
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7237
146342
[CH3][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][CH3]
Cc1ccccc1C
WdRcCaDdPpEvTpArEhCd
WRCDPETAEC
8PKW_3_k12
0
-2.7
[0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,1,0,0,0,0,0]
[1,1,0,0,0,0,1,0,0,1]
[1,1,0,0,1,0,1,0,0,1]
61743
O58456
[CH2][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH1][=CH2]
C=CCCCCCCCC(=O)O
DdGdAdPdPpIvMvGvSlSvVvYlIlTvVlElLlAvIlAlVvLlAlIqLvGlNlVvLlVlCvWvAlVcWvLpNdSvNvLnQpNdVlTlNcYvFlVvVnSqLlAsAvAlDlInAcVcGsVvLqAlIsPvFlAvIsTvIlSvTvGlFdCkAdAqClHlGvClLlFcIsAlCqFvVnLqVlLsTlQlSlSnIlFqSsLlLlAvInAlIvDlRlYlIcAcIlRpIpPvLvRcYnNdGvLpVdTdGpTvRvAsKvGvIsIsAvIvCsWsVvLvSsFcAcIqGsLsTvPlMsLvGpWqNwNqClGvQpPaKdEvGvKqNcHvSvQn...
DGAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLADLEDNWETLNDNLKVIEK...
5K2C_1_k12
0
-4.4
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753
A0A2B7ICX0
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
3PCW_1_k12
0
-3.2
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s621
Q9JUV5
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NC1=CCN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1
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2YK5_3_k12
2
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s247
P44407
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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@H](O)NCCC(=O)NCCS
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TKPLDGINVLDFTHVQAGPACTQMMGFLGANVIKIERRGSGDMTRGWLQDKPNVDSLYFTMFNCNKRSIELDMKTPEGKELLEQMIKKADVMVENFGPGALDRMGFTWEYIQELNPRVILASVKGYAEGHANEHLKVYENVAQCSGGAAATTGFWDGPPTVSGAALGDSNSGMHLMIGILAALEMRHKTGRGQKVAVAMQDAVLNLVRIKLRDQQRLERTGILAEYPQAQPNFAFDRDGNPLSFDNITSVPRGGNAGGGGQPGWMLKCKGWETDADSYVYFTIAANMWPQICDMIDKPEWKDDPAYNTFEGRVDKLMDIF...
1P5R_1_k12
1
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5284648
P22557
[CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][CH0][=Branch1][Ring2][=CH1][Ring1][Branch2][CH0][=Branch1][C][=OH0][CH0][Branch1][P][CH0][=CH1][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][#Branch2][=CH1][OH0][Ring2][Ring1][C]
O=c1c(-c2ccc(O)c(O)c2)coc2cc(O)ccc12
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5AV0_1_k12
1
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56951872
P02566
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4DKP_3_k12
1
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29921061
P07911
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Cc1ccc2c(c1)S[C@H](c1ccc(N(C)C)cc1)N2C
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3MYZ_1_k12
1
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s538
Q9PPB4
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NC=CCC[C@@](N)(CC[C@](N)(CCCCN)C(=O)O)C(=O)O
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5F1U_3_k12
2
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53932567
P02945
[C@H1][Branch2][Ring1][#C][CH2][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3][Branch2][Ring1][=C][OH0][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][C...
CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CCOC[C@H](CO)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GAF_1_k12
2
-5.5
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s630
P97438
[CH2][C@H1][Branch2][Ring1][S][OH0][CH0][=CH1][CH1][=CH1][CH0][Branch2][Ring1][Ring2][NH0][Branch1][C][H][CH0][=Branch1][=Branch1][=N+1][Branch1][C][H][H][CH0][=CH1][CH1][=CH1][SH0][Ring1][Branch1][=CH1][Ring1][P][CH2][C@@H1][Branch2][Ring1][P][CH2][OH0][CH0][=CH1][CH1][=CH0][Branch2][Ring1][Ring2][NH0][Branch1][C][H][...
[NH2+]=C(Nc1ccc(OC[C@@H]2C[C@@H](Oc3cccc(NC(=[NH2+])c4cccs4)c3)CN2)cc1)c1cccs1
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GPKFPRVKNWELGSITYDTLCAQSQQDGPCTPRRCLGSLVLPRPAEQLLSQARDFINQYYSSIKRSGSQAHEERLQEVEAEVASTGTYHLRESELVFGAKQAWRNAPRCVGRIQWGKLQVFDARDCSSAQEMFTYICNHIKYATNRGNLRSAITVFPQRAPGRGDFRIWNSQLVRYAGYRQQDGSVRGDPANVEITELCIQHGWTPGNGRFDVLPLLLQAPDEAPELFVLPPELVLEVPLEHPTLEWFAALGLRWYALPAVSNMLLEIGGLEFSAAPFSGWYMSTEIGTRNLCDPHRYNILEDVAVCMDLDTRTTSSLWK...
4UPT_3_k12
1
-8.9
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445395
P00178
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3G0X_1_k12
1
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753
P55245
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5JXQ_1_k12
0
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62453
Q9W0Y8
[CH1][=CH0][Branch1][Ring1][CH1][=CH2][CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][#Branch2]
C=Cc1ccc(O)cc1
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KLNPALEFRDFIQVLKDEDDLIEITEEIDPNLEVGAIMRKAYESHLPAPLFKNLKGASKDLFSILGCPAGLRSKEKGDHGRIAHHLGLDPKTTIKEIIDYLLECKEKEPLPPITVPVSSAPCKTHILSEEKIHLQSLPTPYLHVSDGGKYLQTYGMWILQTPDKKWTNWSIARGMVVDDKHITGLVIKPQHIRQIADSWAAIGKANEIPFALCFGVPPAAILVSSMPIPEGVSESDYVGAILGESVPVVKCETNDLMVPATSEMVFEGTLSLTDTHLEGPFGEMHGYVFKSQGHPCPLYTVKAMSYRDNAILPVSNPGLC...
4S13_1_k12
2
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P0DOX7
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s744
P13006
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3QVP_4_k12
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s207
Q8CM25
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5EIC_2_k12
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13727241
P61244
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RAHHNALERKRRDHIKDSFHKLRDSVPSRAQILCKATEYIQYMRRKN
7RCU_1_k12
0
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14257
P02945
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6GA6_5_k12
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4ILA_2_k12
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444205
P00720
[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
DdKdIdCdLdGdHdHdAfVdSdNdGfTfKfVaNaTdLpTvEdRgGgVfEtVfVrNdAwTdEwTqVaEdRdTdNfVdPqRaIaCaSqKaGpKwRfTeVdDeLlGvQqCaGdLlLlGlTlIqTqGaPfPpQsCnDpQvFqLvEfFdSfAtDqLeIyIeEyReRpEnGySdDnVdCqYfPaGaKeFeVdNvEpEvAvLvRvQvIcLrRqEwSqGrGtIkDdKkEdTfMqGpFdTdYdSpGqIwRdTfNfGdAwTdSqAsCgRdRdSpGdStShFhYgApEfMkKtWaLiLwShNhTaDfNlAdAaFqPdQwMdTkKdSkYgKw...
DKICLGHHAVSNGTKVNTLTERGVEVVNATETVERTNVPRICSKGKRTVDLGQCGLLGTITGPPQCDQFLEFSADLIIERREGSDVCYPGKFVNEEALRQILRESGGIDKETMGFTYSGIRTNGATSACRRSGSSFYAEMKWLLSNTDNAAFPQMTKSYKNTRKDPALIIWGIHHSGSTTEQTKLYGSGNKLITVGSSNYQQSFVPSPGARPQVNGQSGRIDFHWLMLNPNDTVTFSFNGAFIAPDRASFLRGKSMGIQSSVQVDANCEGDCYHSGGTIISNLPFQNINSRAVGKCPRYVKQESLMLATGMKNVPEI
4BSI_1_k12
0
-3.4
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s501
P9WPA7
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch2][Ring1][=Branch2][CH2][NH0][Branch1][C][H][C@@][Branch1][O][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][H][CH2][CH2][CH2][CH2][Ring1][O][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2]...
CC1NC=C(COP(=O)(O)O)C(CNC2(P(=O)(O)O)CCCC2)=C1O
LdNfDpDpAvTvFvWvRvNcAvRvHvHdLdVdRdYdGdGdTdFdEdPsMfIaIfEdRqAwKfGfSqFwVtYaDtApDvGrRdAtIfLgDnFqTcSlGvQvMlSfAqVqLvGtHpCpHdPpElIlVvSvVlIlGvEcYcAvGvKvLfDwHfLdFdSvEpMdLaSdRpPlVvVvDvLlAqTcRvLvAcNvIpTdPdPdGqLwDhRgAkLwLkLfSfTdGqAlElSqNvEvAlAvIqRvMlAlKcLlVvTvGvKfYhEaIeVeGeFaAqQlSaWaHrGdMdTdGqAvArAvSlAhThYhSvAdGdRpKdGdVpGdPdAhAdVd...
LNDDATFWRNARHHLVRYGGTFEPMIIERAKGSFVYDADGRAILDFTSGQMSAVLGHCHPEIVSVIGEYAGKLDHLFSEMLSRPVVDLATRLANITPPGLDRALLLSTGAESNEAAIRMAKLVTGKYEIVGFAQSWHGMTGAAASATYSAGRKGVGPAAVGSFAIPAPFTYRPRFERNGAYDYLAELDYAFDLIDRQSSGNLAAFIAEPILSSGGIIELPDGYMAALKRKCEARGMLLILDEAQTGVGRTGTMFACQRDGVTPDILTLSKTLGAGLPLAAIVTSAAIEERAHELGYLFYTTHVSDPLPAAVGLRVLDVVQ...
1M0N_1_k12
1
-7.7
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169430
P31808
[CH2][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][S]
N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
SdElLlNaRfKfLeVeGfYeFaPeElWpAqYlSpSdEqAqQlGvYnFdNaVpTlDqLdQpWlDvSqLgTqHeIyQeYySpFaAwMaVaDdPqSpTqNrKaItTdLrSdNpKvHcAqAaIwEnEdDqFcSpEvFhDfLqNdYhNpGhKdKgIdEhLfDdPpSpLaPpYtKgGhHrFlNsVvLvQvTsMvKcKvNvYrPvDrVrSaLyLeIhSeVaGdGdWlTpGrTqRqCnFvYlTvMqIlDpTdDpNvRsIlNlTsFhAlDvSnCrVlDvFvIcRvKnYrGvFhDqGeVyDeIyDeFhEqYaPlSfSlTqSpQpSgGgNh...
SELNRKLVGYFPEWAYSSEAQGYFNVTDLQWDSLTHIQYSFAMVDPSTNKITLSNKHAAIEEDFSEFDLNYNGKKIELDPSLPYKGHFNVLQTMKKNYPDVSLLISVGGWTGTRCFYTMIDTDNRINTFADSCVDFIRKYGFDGVDIDFEYPSSTSQSGNPDDFDLSEPRRTKLNERYNILIKTLREKIDMASKEDGKEYLLTAAVTASPWVLGGISDNTYAKYLDFLSIMSYDYHGGWNEYVEHLAGIYPNKEDRETVTQIMPTLCMDWAYRYYRGVLPAEKILMGIPYYTRGWENVQGGINGLHGSSKTPASGKYNIL...
8OWF_1_k12
0
-4.5
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3776
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4FTN_1_k12
0
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s628
P18079
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5EXS_1_k12
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s389
Q16539
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4EH6_2_k12
1
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P00327
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56824320
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2XJT_3_k12
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445184
P11609
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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s649
Q8CM25
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6JLJ_9_k12
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176
P31131
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5VU3_2_k12
0
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s569
P05164
[NH0][Branch1][=Branch2][CH2][C@@H1][Branch1][C][CH3][OH0][CH2][CH3][CH0][=CH0][Branch1][#Branch2][NH0][Branch1][C][H][CH2][NH0][Ring1][=Branch1][H][CH1][Branch1][Ring1][OH0][H][NH0][Branch1][C][H][CH0][Ring2][Ring1][Ring2][=SH0]
CCO[C@H](C)CN1C(=S)NC(O)C2=C1NCN2
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4DL1_5_k12
2
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s585
Q07869
[CH0][=Branch1][C][=OH0][Branch2][Ring1][=C][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH0][Branch1][#C][OH0][C@@][Branch1][C][CH3][Branch1][C][CH3][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH1][Ring1][=C][CH0][=CH0][Branch1][C][CH3][NH0][Branch1][C][H][CH1][Branch2][Ring1][Ring1][CH0][=CH1][CH1][=CH0][Branch1][=Branch2][...
CC1=C(C(=O)NCc2ccc(OC(C)(C)C(=O)O)cc2)SC(c2ccc(C(F)(F)F)cc2)N1
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2P54_1_k12
1
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90655273
Q13627
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s126
O53581
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4CMK_2_k12
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Q3YV10
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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SNAMILIDGKSLSKDLKERLATQVQEYKHHTAITPKLVAIIVGNDPASKTYVASKEKACAQVGIDSQVITLPEHTTESELLELIDQLNNDSSVHAILVQLPLPAHINKNNVIYSIKPEKDVDGFHPTNVGRLQLRDKKCLESCTPKGIMTMLREYGIKTEGAYAVVVGASNVVGKPVSQLLLNAKATVTTCHRFTTDLKSHTTKADILIVAVGKPNFITADMVKEGAVVIDVGINHVDGKIVGDVDFAAVKDKVAAITPVPGGVGPMTITELLYNTFQCAQELNR
3L07_3_k12
0
-2.5
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8117
Q7Z3B1
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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ESACTLQSETHPPLTWQKCSSGGTCTQQTGSVVIDANWRWTHATNSSTNCYDGNTWSSTLCPDNETCAKNCCLDGAAYASTYGVTTSGNSLSIDFVTQSAQKNVGARLYLMASDTTYQEFTLLGNEFSFDVDVSQLPCGLNGALYFVSMDADGGVSKYPTNTAGAKYGTGYCDSQCPRDLKFINGQANVEGWEPSSNNANTGIGGHGSCCSEMDIWQANSISEALTPHPCTTVGQEICEGDGCGGTYSDNRYGGTCDPDGCDWNPYRLGNTSFYGPGSSFTLDTTKKLTVVTQFETSGAINRYYVQNGVTFQQPNAELGS...
4C4C_1_k12
0
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5232593
C3YWU0
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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EIPLKYGATNEGKRQDPAMQKFRDNRLGAFIHWGLYAIPGGEWNGKVYGGAAEWLKSWAKVPADEWLKLMDQWNPTKFDAKKWAKMAKEMGTKYVKITTKHHEGFCLWPSKYTKYTVANTPYKRDILGELVKAYNDEGIDVHFYFSVMDWSNPDYRYDIKSKEDSIAFSRFLEFTDNQLKELATRYPTVKDFWFDGTWDASVKKNGWWTAHAEQMLKELVPGVAINSRLRADDKGKRHFDSNGRLMGDYESGYERRLPDPVKDLKVTQWDWEACMTIPENQWGYHKDWSLSYVKTPIEVIDRIVHAVSMGGNMVVNFGPQ...
4JFU_1_k12
0
-2.7
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3KKE_1_k12
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s726
Q9H7B4
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NC1C(C(=O)NCc2ccc(C(=O)NCCCC3CCCCC3)cc2)=CNN1c1ccccc1
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6SFO_2_k12
1
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4369584
D0VWV4
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CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCC
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TTAKEEMERFWNKNLGSNRPLSPHITIYRWSLPMAMSICHRGTGIALSAGVSLFGLSALLLPGNFESHLELVKSLCLGPTLIYTAKFGIVFPLMYHTWNGIRHLIWDLGKGLTIPQLTQSGVVVLILTVLSSVGLAAMSSKAASLHWTGERVVSVLLLGLLPAAYLNPCSAMDYSLAAALTLHGHWGIGQVVTDYVRGDALQKAAKAGLLALSAFTFAGLCYFNYHDVGICKAVAMLWKL
3AEF_2_k12
2
-6.1
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753
P11838
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DDEDSVRYLLYMAELRYEQGNPEKAKKILEMAEFIAKRNNNEELERLVREVKKRL
8C3E_1_k12
0
-2.4
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444205
P22629
[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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DRICTGITSSNSPHVVKTATQGEVNVTGVIPLTTTPTKSHFANLKGTQTRGKLCPNCLNCTDLDVALGRPKCMGTIPSAKASILHEVKPVTSGCFPIMHDRTKIRQLPNLLRGYENIRLSARNVTNAETAPGGPYIVGTSGSCPNVTNGNGFFATMAWAVPKNKTATNPLTVEVPYICTKGEDQITVWGFHSDDETQMVKLYGDSKPQKFTSSANGVTTHYVSQIGGFPNQAEDEGLPQSGRIVVDYMVQKPGKTGTIAYQRGVLLPQKVWCASGRSKVIKGSLPLIGEADCLHEKYGGLNKSKPYYTGEHAKAIGNCPI...
3BT6_2_k12
0
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s367
Q9U6Y8
[C@@H1][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][Ring2][CH2][CH1][=OH0][CH1][Branch1][=N][C@H1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH2][CH2][SH0][CH3][NH0][Ring2][Ring1][#Branch2][H]
CSCC[C@@H](N)C1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC=O
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8ARM_1_k12
2
-6.4
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71768352
P00374
[CH0][=Branch1][C][=OH0][CH0][Branch1][P][OH0][CH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][=Branch2][=CH1][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Ring1][Branch2][OH0][Ring2][Ring1][#Branch1]
O=c1oc2cc(O)ccc2cc1Oc1ccc(Cl)cc1O
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4IGF_1_k12
1
-9.6
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[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6WE2_2_k12
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90655273
D2PPM7
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OS(O)(O)CCN1CCOCC1
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5I0E_1_k12
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s580
555612
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3JWX_3_k12
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753
P11838
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5UEH_1_k12
0
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8117
P04010
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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GPNLFVALYDFESRTENTLSITKGEKLRVLNNTENGEWCEAQTKNGQGWVPSNYITPVN
7PVS_3_k12
0
-2.4
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753
Q3Z5M9
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GDQICIGYHANNSTEQVDTIMEKNVTVTHAQDILEKTHNGKLCDLDGVKPLILRDCSVAGWLLGNPMCDEFINVPEWSYIVEKASPANDLCYPGDFNNYEELKHLLSRTNHFEKIQIIPKSSWSNHDASSGVSSACPYHGKSSFFRNVVWLIKKNSAYPTIKRSYNNTNQEDLLVLWGIHHPNDAAEQTKLYQNPTTYISVGTSTLNQRLVPEIATRPKVNGQSGRMEFFWTILKPNDAINFESNGNFIAPEYAYKIVKKGDSAIMKSELEYGNCNTKCQTPMGAINSSMPFHNIHPLTIGECPKYVKSNRLVLATGLRN...
3S11_2_k12
0
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867
A8PUY5
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CC(=O)O
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5GW8_5_k12
0
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90655273
A7LXU3
[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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MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANPPELLPSLGSYITEQSLV...
4MOR_4_k12
2
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5232593
P77258
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
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EIPLKYGATNEGKRQDPAMQKFRDNRLGAFIHWGLYAIPGGEWNGKVYGGAAEWLKSWAKVPADEWLKLMDQWNPTKFDAKKWAKMAKEMGTKYVKITTKHHEGFCLWPSKYTKYTVANTPYKRDILGELVKAYNDEGIDVHFYFSVMDWSNPDYRYDIKSKEDSIAFSRFLEFTDNQLKELATRYPTVKDFWFDGTWDASVKKNGWWTAHAEQMLKELVPGVAINSRLRADDKGKRHFDSNGRLMGDYESGYERRLPDPVKDLKVTQWDWEACMTIPENQWGYHKDWSLSYVKTPIEVIDRIVHAVSMGGNMVVNFGPQ...
4JFS_2_k12
0
-2.9
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P0DOX7
[CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][O]
Oc1ccc(F)cc1O
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