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
s150
Q8ZKF6
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH2][Ring1][O][C@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=Branch2][OH0][H]
NC1=CCN([C@@H]2O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1
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GIVTIDGPSASGKSSVARRVAAALGVPYLSSGLLYRAAAFLALRAGVDPGDEEGLLALLEGLGVRLLAQAEGNRVLADGEDLTSFLHTPEVDRVVSAVARLPGVRAWVNRRLKEVPPPFVAEGRDMGTAVFPEAAHKFYLTASPEVRAWRRAPQAYEEVLRDLLRRDERDKAQSAPAPDALVLDTGGMTLDEVVAWVLAHI
3W8N_1_k12
2
-6.9
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s373
P79066
[C@@H1][Branch1][#Branch2][CH2][OH0][PH0][Branch1][Ring1][OH0][H][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH2][Ring1][O][CH2][CH2][Ring2][Ring1][#Branch1]
NC1=CCN([C@H]2CC[C@H](COP(O)O)O2)C(=O)N1
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3JPT_1_k12
2
-6
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753
O88279
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3CJY_1_k12
0
-3.4
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445184
P36911
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7NWF_1_k12
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s844
Q700S9
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4LDE_1_k12
0
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79025
P09960
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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2F5T_1_k12
2
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174
Q3IWB0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4BPK_1_k12
0
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s694
P00749
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NC(=O)C1=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)CCC1
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DQDAYVADVDGILDVLRAQVLERKPDDIFQFISKSALSLQKCDRINCKVKDEQKSRALTIIVFGASGDLAKKKTFPALFDLYCGGLLPPEVNIIGYARTKVDDVEKWKHETLMKYFSNLSERGCHAEDFLKHISYFCGAYDSVDDFKRLDAVIREKENAFKGPEKGGNRLFYLALPPSVFASVCESIHKGAMPQEVGGWVRVIIEKPFGRDTKSSAELSQALEPFFDESQLYRIDHYLGKEMVQNIITTRFANRIFSAVWNASNIACVQITFKETIGTEGRGGYFDNIGIIRDVMQNHLTQILALLAMEKPRSLDAECIR...
7ZHU_3_k12
2
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444205
Q9FUS8
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4YES_3_k12
0
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s98
P00163
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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1TZK_2_k12
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124934910
P49327
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2PX6_2_k12
2
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43815
P31645
[CH2][CH2][C@@H1][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][#Branch1][C@H1][Branch2][Ring1][C][CH2][OH0][CH0][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][OH0][CH2][OH0][Ring1][#Branch1][CH2][NH0][Ring2][Ring1][Branch2][H]
Fc1ccc([C@@H]2CCNC[C@H]2COc2ccc3c(c2)OCO3)cc1
GdSvQcGpEdRdEaTaWdGdKdKpVvDlFlLlLlSlVlIlGlYqAlVfDaLvGcNlVqWfRvFlPlYlIlCqAlQvNqGqGfGqAvFlLvLvPlYlTvIvMlAcIlFlGaGlIlPlLlFlYlMlElLlAlLlGlQqYqHpRlNaGaClIqSvIvWcRlKfIfCfPnIlFqKsGlIlGsYqAlIlCvIlIlAlFlYlIvAlSqYqYlNcTlIlMlAlWlAlLvYvYlLlIvSqSlFpTdDpQaLrPqWlTqSdCqKpNdSpWqNhTdGpNlCeTdNhYpFvSdEdDpNpIdTdWhTdLpHpShTdSyPsAlEcEsFcYvTq...
GSQGERETWGKKVDFLLSVIGYAVDLGNVWRFPYICAQNGGGAFLLPYTIMAIFGGIPLFYMELALGQYHRNGCISIWRKICPIFKGIGYAICIIAFYIASYYNTIMAWALYYLISSFTDQLPWTSCKNSWNTGNCTNYFSEDNITWTLHSTSPAEEFYTRHVLQIHRSKGLQDLGGISWQLALCIMLIFTVIYFSIWKGVKTSGKVVWVTATFPYIALSVLLVRGATLPGAWRGVLFYLKPNWQKLLETGVWIDAAAQIFFSLGPGFGVLLAFASYNKFNNNCYQDALVTSVVNCMTSFVSGFVIFTVLGYMAEMRNED...
6AWN_3_k12
1
-10.2
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679
P0AEX9
[OH0][=SH0][Branch1][C][CH3][CH3]
CS(C)=O
SdGfFdRdKqMdAaFaPdScGpKlVqElGlCqMwVkQwVkTaCaGpTpTaTiLaNiGwLgWaLaDfDqTkVtYkCfPfRlHcVnIlCdTdApEvDcMqLaNdPdNdYsEvDvLsLcIvRvKdSdNqHvSrFmLwViQgAdGpNnVdQtLwRrVfIdGdHwSdMdQqNaCrLmLiRiLtKgVtDpTgStNrPpKsThPfKaYeKdFfVdRaIdQdPaGlQaTkFwSkVwLfAfCdYaNnGrSgPtSdGdViYdQiCwAgMqRfPpNlHrTwIiKaGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYqDgCyViSyFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDTVYCPRHVICTAEDMLNPNYEDLLIRKSNHSFLVQAGNVQLRVIGHSMQNCLLRLKVDTSNPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNHTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGKFYGPFVDRQTAQAAGTDTTITLNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCAALKELLQNGMNGRTILGSTILEDEFTPFDVVRQCSGVTFSGFRKMAFPSGKVEG...
2Z9K_1_k12
0
-2.9
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[0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
P00918
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
HdWaGaYcGdKpHvNrGrPlEvHpWvHcKvDvFaPvIcAsKqGpEqRfQaSdPdVaDeIaDeTpHvTqAaKaYaDdPqSpLfKwPfLkSdVwSqYqDpQqAwTwSwLwRkIwLaNaNaGlHlAwFiNkVtEaFtDpDpSpQdDqKrAtVwLiKdGgGgPvLdDdGaTiYwRhLfIgQiFkHtFkHfWaGaSpLdDqGqQaGtSdEgHyThVyDnKnKgKhYgAgAmEkLmHkLgVkHtWfNhTcKvYqGpDdFlGvKsAlVlQvQaPqDqGgLiAeViLeGmIaFgLeKhVaGdSaAaKqPvGlLcQvKvVvVlDvVcLc...
HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
6B4D_2_k12
0
-2.7
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53932567
P11609
[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
IdTvGvRdPvElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKvGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAvFnTvMlYsLvScMvLnLvGpYnGqLwTdMfVaPaFaGpGnEdQtNfPiIdYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLvLlVlDvAhDdQpGvTlIsLcAlLlVnGvAlDsGnIlMlIsGvTlGqLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFpFvGpFrTlSvKsAlEvSvMd...
ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
6GA5_1_k12
2
-5.2
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679
P00760
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
3RXH_2_k12
0
-1.9
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6503
P0C0Y9
[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
GdAaMpAaPaSaYeRaVeKdRqMdDqIlAlKpNdDpEfEqCeVeVeNaAlAaNaPqRqGlLdPcGdDdGdVsCsKvAsVcYcKvKsWqPvEvSqFsKpNpSqAhThPdVqGlTaAwKdTwVrMdCsGpTnYrPiVyIiHyAqVhGqPaNqFcSlNpYdTpEpSvEvGrDlRnEsLlAlAsAsYlRlEnVvAlKvEvVcTvRvLvGvVtNqSaVyAeIyPeLqLhScTqGdVrYsSvGsGpKdDhRcLlTvQsSsLvNvHsLnFcTvArMpDvSpTpDnAhDhVyVyIyYyCdRnDdKpEvWsEnKvKvIvSvEvAvIrQv...
GAMAPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQMRTPSYRVKRMDIAKNDEECVVNAANPRGLPGDGVCKAVYKKWPESFKNSATPVGTAKTVMCGTYPVIHAVGPNFSNYTESEGDRELAAAYREVAKEVTRLGVNSVAIPLLSTGVYSGGKDRLTQSLNHLFTAMDSTDADVVIYCRDKEWEKKISEAIQM...
7H77_2_k12
0
-4.1
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[0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
P9WQ35
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
EdPdEkRdNdIdIdAkDdKkYdDfEkAkSkVkLkFkAkDfIqVpGqFlTdEcRvArSpSvTdAdPpAvDvLsVvRvFvLvDvRvLlYvSvAvFlDvEvLlVcDvQvHlGvLwEdKwIfKdVdSpGdDgSmYtMmVtViSfGcVpPpRpPhRdPpDcHrTlQvAsLvAlDvFsAvLvDvMsTlNvVvAqAqQvLdKaDpPpRvGrNhPrVrPqLmRfVmGeLmAeTmGgPmVwVmAwGdVwVmGgSdRpRdFiRtYiDdViWgGdDdArVnNvVrAnSvRvMqErSvTvDgShVgGsQwIyQkVyPwDvEvVsYcEvRvLc...
EPERNIIADKYDEASVLFADIVGFTERASSTAPADLVRFLDRLYSAFDELVDQHGLEKIKVSGDSYMVVSGVPRPRPDHTQALADFALDMTNVAAQLKDPRGNPVPLRVGLATGPVVAGVVGSRRFRYDVWGDAVNVASRMESTDSVGQIQVPDEVYERLKDDFVLRERGHINVKGKGVMRTWYLIGRK
4P2F_2_k12
0
-2.5
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6503
Q15661
[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
KdEdIdGaEaEqPqDdPpEvKlLlEvAvFlLcEvEvKfGfGfNdAdLqSsHlLqGsFlLqGrDqKwRgFkFdYaSfSpDvGrNfAkLiIwQtFwAhKdVfGpQlReLiVeVtLeGeDqPiStGgRhEpDvScFrPlLrVsIvKvEvFrLvHvAvAsDvQvKvGpYgLhVyIkFyYfQfIyEfRdEvDcMvAvLsYcHvDvFvGqYkRdFkFdKwLfGfEwEwAfIkVfDfLlDvTpFfTdIcSpGdKpKvRsApGpLlRvAvIvYqNvRvFcEvRvEqGaYkTdFkHdVkEaQaPdPdFdSdRpEvFvLlNvElLvRvQv...
KEIGEEPDPEKLEAFLEEKGGNALSHLGFLGDKRFFYSSDGNALIQFAKVGQRLVVLGDPSGREDSFPLVIKEFLHAADQKGYLVIFYQIEREDMALYHDFGYRFFKLGEEAIVDLDTFTISGKKRAGLRAIYNRFEREGYTFHVEQPPFSREFLNELRQVSDEWLGRKKEKGFSLGFFQEDYLQKAPIAVLKSEEGEIVAFMNIMPMYREGEISIDLMRYSKKAPKGIMDALFIYLFQWGKEQGYTAFNMGMAPLSNVGTSFWTERLAAVIFNNVSYMYSFSGLRSFKEKYKPVWRGKYLAYRKNRSLPVTMILVTRLI...
4V36_2_k12
0
-3.5
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8200
Q8N6T7
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8AKG_4_k12
0
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19033907
P21675
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O=C(O)c1cc(Cl)c2c(c1)C(=O)c1ccccc1C2=O
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7DT3_1_k12
2
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s478
P00772
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7LEF_1_k12
1
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s707
P33981
[CH1][=CH1][CH0][=CH0][Branch1][O][NH0][Branch1][C][H][CH2][C@@H1][CH2][CH2][Ring1][Ring1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][Ring1][=C][CH1][=CH0][Ring2][Ring1][C][ClH0]
ClC1=CC2NCNC(NCC3CC3)=C2C=C1
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3HMP_4_k12
2
-6.3
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s583
Q5R1P3
[C@@H1][Branch2][Ring1][Branch2][CH2][NH0][Branch1][P][CH2][CH2][CH0][=CH1][CH0][Branch1][C][ClH0][=CH0][Branch1][C][ClH0][CH1][=CH1][Ring1][Branch2][CH2][CH2][CH3][Branch2][Ring1][=Branch2][CH2][OH0][CH0][=CH1][CH1][=CH0][Branch1][=N][NH0][Branch1][C][H][S@@][Branch1][C][CH3][=Branch1][C][=OH0][=OH0][CH1][=CH1][Ring1]...
CCCN(CCc1ccc(Cl)c(Cl)c1)C[C@@H](O)COc1ccc(NS(C)(=O)=O)cc1
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DPKIVNIGAVLSTKKHEQIFREAVNQANKRHFTRKIQLQATSVTHRPNAIQMALSVCEDLISSQVYAILVSHPPLTPTPISYTAGFYRIPVIGLTTRMSIYSDKSIHLSFLRTVPPYSHQALVWFEMMRLFNWNHVILIVSDDHEGRAAQKKLETLLEGPKADKVLQFEPGTKNLTALLLEAKELEARVIILSASEDDATAVYKSAAMLDMTGAGYVWLVGEREISGSALRYAPDGIIGLQLINGKNESAHISDAVAVVAQAIHELFEMENITDPPRGCVGNTNIWKTGPLFKRVLMSSKYPDGVTGRIEFNEDGDRKFA...
6E7T_3_k12
1
-10.2
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s681
P26664
[C@H1][Branch2][Ring1][=C][OH0][CH0][=CH0][Branch1][Ring1][CH2][CH3][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][NH0][Ring1][=Branch2][H][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][#Branch2][CH2][C@@H1][NH0][Branch1][Branch1][CH2][Ring2][Ring1][=Branch1][CH0][=Branch1][C][=OH0][C@@H1][Branch2][Ring1][C...
CCC1=C(O[C@H]2C[C@H]3C(=O)N[C@]4(C(=O)NS(=O)(=O)C5CC5)C[C@@H]4CCCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N3C2)Nc2cc(OC)ccc2N1
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HMASMKKKGSVVIVGRINLSGDTAYAQQTRGEEGCQETSQTGRDKNQVEGEVQIVSTATQTFLATSINGVLWTVYHGAGTRTIASPKGPVTQMYTNVDKDLVGWQAPQGSRSLTPCTCGSSDLYLVTRHADVIPVRRRGDSRGSLLSPRPISYLKGSAGGPLLCPAGHAVGIFRTAVSTRGVAKAVDFIPVESLETTM
5EPY_1_k12
1
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439846
P61628
[C@H1][Branch1][C][CH3][Branch1][Ring2][CH2][OH0][H][OH0][H]
C[C@H](O)CO
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1D6Q_3_k12
0
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134822023
O94804
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH0][Branch2][Ring1][O][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][=N][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH1][=CH1][Ring1][=C][=CH0][Branch1][O][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH3][CH0][Ring2][Ring1][#C]...
COc1ccccc1C1=C(Nc2ccc(C(=O)c3ccccc3)cc2)C(=O)NC1=O
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6HXF_1_k12
1
-9.8
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753
P22924
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5D7I_3_k12
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s674
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7MON_1_k12
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4DQ2_1_k12
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890
P00415
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2XAR_1_k12
2
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1826
P16581
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O=C(O)Cc1c[nH]c2ccc(O)cc12
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3ADT_1_k12
2
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s311
A6QNR0
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1PFX_1_k12
1
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s372
Q460N5
[CH3][CH0][=CH0][Branch1][#C][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][C@H1][Branch1][C][CH3][CH3][NH0][CH2][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][NH0][Ring1][P][H]
CC1=C(C(=O)NCC(C)C)N2CC=CC=C2N1
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5QHW_2_k12
2
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679
P07256
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCpTdSpEvDcMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQgArGpNhVdQtLwRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsTnPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAgMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GBA_1_k12
0
-2
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8117
P10275
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6EQ9_2_k12
0
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753
Q97VT7
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4KES_2_k12
0
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s845
P0CD76
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Cc1cccc(Cl)c1NC(=O)C1=CNC(NC2C=C(N3CCN(CCO)CC3)NC(C)N2)S1
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4QMS_2_k12
1
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7NS9_2_k12
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445395
P02945
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7CFU_1_k12
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445395
P28241
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5VEG_1_k12
1
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5232593
Q7SIF4
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
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4O6H_1_k12
0
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s543
P50613
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Cc1ccccc1CN1c2ccccc2N(C[C@H](O)c2ccc(Cl)c(Cl)c2)C1N
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HHSSGLVPRGSHMELSAIGEQVFAVESIRKKRVRKGKVEYLVKWKGWPPKYSTWEPEEHILDPRLVMAYEEKEERDRASG
5EJW_1_k12
1
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176
P00491
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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3L3J_1_k12
0
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284
P00533
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
DdCvHlLlSvDlMlLlQvQlLlHvSvVlNlAvSlKvPqSaEpRdGpLfVfRdQqEvEvAqEfDdPpAvClIfPaIqFkWdVwSfKfWkVdDaYpSqDvKpYfGaLiGkYtQaLiClDqNrSwViGkVgLcFtNpDqSrTkRmLwIiLgYgNvDvGrDwSwLiQwYiIqEhRnDvGrTdEiSdYtLdTtVvSvSvHpPdNpSvLcMvKvKvIvTvLvLnKvYvFvRsNvYvMcSvEpHdLhLgKtAqGpAnNvIdTdPgRdEdGdDdEpLvAdRdLdPwYdLfRnTdWwFdRdTdRpSfAwIiIwLtHaLtSpNqGsSwVi...
DCHLSDMLQQLHSVNASKPSERGLVRQEEAEDPACIPIFWVSKWVDYSDKYGLGYQLCDNSVGVLFNDSTRLILYNDGDSLQYIERDGTESYLTVSSHPNSLMKKITLLKYFRNYMSEHLLKAGANITPREGDELARLPYLRTWFRTRSAIILHLSNGSVQINFFQDHTKLILCPLMAAVTYIDEKRDFRTYRLSLLEEYGCCKELASRLRYARTMVDKLLSS
3BZI_1_k12
0
-2.7
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s159
Q08881
[CH1][Branch2][Ring1][Ring2][NH0][Branch1][C][H][C@H1][CH2][CH2][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][CH2][CH3][CH2][Ring1][=Branch2][NH0][Branch1][C][H][CH1][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH1][=CH0][Branch2][Ring1][Branch2][NH0][Branch1][C][H][CH1][NH0][Branch1][C][H...
CCC(=O)N1CC[C@H](NC2NC(NC3NC4=CC=CNC4S3)=CC(CN3CCOCC3)N2)C1
GdSdVeIdDePpSvEqLkTdFfVdQaEfIdGdSpGcLgVwHgLfGiYdWgLnNvKpDaKtVwAiIkKaTwIdEvEpDqFpIvEqElAlEvVvMqMqKpLqSdHdPpKqLaVwQhLfYpGhVwCyLpEpQdApPsItCiLtViFtEhFdMaEvHaGaCfLqSlDvYnLlRvTvQcRpGpLpFdAaAlElTlLlLlGvMaClLlDsVaClEvGqMlAlYsLcEqEvAvCqVfIfHqRvDdLdAaArRrNqCwLgVaGhEpNpQrVrIiKhVgShDnFrGrMgTvPdVlKvWlAfSaPlEcVcFvSvFpSnRpYtSgSqKlSr...
GSVIDPSELTFVQEIGSGLVHLGYWLNKDKVAIKTIEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLVFEFMEHGCLSDYLRTQRGLFAAETLLGMCLDVCEGMAYLEEACVIHRDLAARNCLVGENQVIKVSDFGMTPVKWASPEVFSFSRYSSKSDVWSFGVLMWEVFSEGKIPYENRSNSEVVEDISTGFRLYKPRLASTHVYQIMNHCWKERPEDRPAFSRLLRQLAEIAESGGSVIDPSELTFVQEIGSGQFGLVHLGYWLNKDKVAIKTIREGAMSEEDFIEEAEVMMKLSHPKLVQLYGVCLEQAPICLV...
4KIO_1_k12
1
-8.6
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753
P03372
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
SdLvAlLlSvLdTdAlDvQrMlVlSvAlLlLvDvAlEdPdPdIfLdYaSwEpYdDdPpTpRdPdFdSaEqAlSvMvMvGvLrLvTlNvLlAlDvRvEvLvVvHsMvIlNsWsAqKvRsVnPrGlFlVvDvLdTdLpHvDvQlVvHqLlLcElCqAqWvLqElIlLlMlIlGvLqVlWvRvScMlEvHpPqGqKwLtLcFsAgPpNvLdLiLdDgRlNvQvGlKvCnVhEpGpMrVsEvIlFvDvMlLsLnAvTlSsSvRvFcRnMvMvNvLdQdGpEsEnFsVsClLlKsSvIcIsLsLlNpSrGcVlYvTvFdEvEsKs...
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAHRL
4TUZ_3_k12
0
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5281643
P02766
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7Z60_1_k12
2
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s4
Q5YS38
[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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5MOG_2_k12
0
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753
Q9NZJ5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4X7L_3_k12
0
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s662
P9WML1
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3O0M_1_k12
1
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s641
Q93015
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O=C1NC(=O)[C@]2(OO)NC(=O)N[C@@H]2N1
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4D13_1_k12
2
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6503
P11974
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NC(CO)(CO)CO
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8F5U_2_k12
2
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679
Q5RB23
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5UT0_3_k12
0
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174
Q9K0U9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4AHU_3_k12
0
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679
P08492
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
SdMlFdLdPaPaPaEaCaPaVeFdEePdSdWcEvElFqAqDdPpFvAsFnIcHvKvIcRvPvIrArElQqTaGqIkCyKkVyRfPyPdPpDpWpQaPfPdFfAdCdDdVqDqKqLqHkFdTdPkRdIkQdRwLqNaEfLlEdAkQdTfRdVdKdLlRpDmYdTrLsRvTvFlGqEvMvAqDqAvFvKcScDvYvFvNvMhPrVsHpMpVdPdTlEvLvVlEvKsEvFsWsRvLqVnShTdIpEvEdDtVdTmVdEiYkGdAkDhIfAaSdKpEnFhGhSdGrFqPqVeRdDdGdIdKdLdSdPpEsEsEvEvYrLhDpSg...
SMFLPPPECPVFEPSWEEFADPFAFIHKIRPIAEQTGICKVRPPPDWQPPFACDVDKLHFTPRIQRLNELEAQTRVKLRDYTLRTFGEMADAFKSDYFNMPVHMVPTELVEKEFWRLVSTIEEDVTVEYGADIASKEFGSGFPVRDGIKLSPEEEEYLDSGWNLNNMPVMEQSVLAHITADICGMKLPWLYVGMCFSSFCWHIEDHWSYSINYLHWGEPKTWYGVPGYAAEQLENVMKKLAPELFVSQPDLLHQLVTIMNPNTLMTHEVPVYRTNQCAGEFVITFPRAYHSGFNQGFNFAEAVNFCTVDWLPLGRQCVEH...
5FYU_2_k12
0
-2.6
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s102
Q07912
[ClH0][CH0][=CH1][NH0][Branch1][C][H][CH1][Branch2][Ring1][#Branch2][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][N][NH0][CH2][CH2][NH0][Branch1][C][CH3][CH2][CH2][Ring1][#Branch1][CH1][=CH1][Ring1][=N][NH0][Branch1][C][H][CH1][Ring2][Ring1][#Branch1][NH0][Branch1][C][H][CH2][C@H1][CH2][CH2][CH2][OH0][Ring1][Bran...
CN1CCN(c2ccc(NC3NC=C(Cl)C(NC[C@H]4CCCO4)N3)cc2)CC1
LdTaCeLaIaGeEcKvDqLkRaLwLdEaKwLqGaDaGaSdFfGgVtVkRtRwGiEwWgDcAdPpSvGrKdTiVaStVwAiVkKaCwLhPvEvAsMvDvDlFvIvRvEvVcNvAvMqHpSpLdDdHdRqNqLaIwRhLfYhGyVwVhLpTdPpPrMiKiMtVtTtEhLdAqPvLqGfSqLpLlDvRcLlRqKpHcQvGpHlFcLdLqGlTlLlSlRlYaAlVlQsVvAlEvGvMlGlYsLcEvSvKqRqFkIdHqRlDaLdAaAsRrNqLwLgLhAsTdRsDrLgViKhIrGhDhFrGsLpMiRdAhLaPdQpNpDgDfHk...
LTCLIGEKDLRLLEKLGDGSFGVVRRGEWDAPSGKTVSVAVKCLPEAMDDFIREVNAMHSLDHRNLIRLYGVVLTPPMKMVTELAPLGSLLDRLRKHQGHFLLGTLSRYAVQVAEGMGYLESKRFIHRDLAARNLLLATRDLVKIGDFGLMRALPQNDDHYVMQEHRKVPFAWCAPESLKTRTFSHASDTWMFGVTLWEMFTYGQEPWIGLNGSQILHKIDKEGERLPRPEDCPQDIYNVMVQCWAHKPEDRPTFVALRDFLLEAQPT
7KP6_1_k12
1
-7.9
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s702
P0A385
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch2][Ring1][#Branch2][CH2][OH0][C@@H1][Branch2][Ring1][C][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][H][OH0][C@H1][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCC=CCCCCCC[C@@H](O)OC[C@@H](CO)O[C@H](O)CCCCCCCCCCCCCCCCC
AdNdVvYvDvWvFcEcEvRpLvEvIvQvAvIvAvEcDlVvTvSvKdYdVdPdPpHqVdNdIpFlYvCcLlGvGvIlTlLvVvClFvLvIlQlFvAvTlGvFvAvMlTvFvYqYaKdPlTfVlAvEcAhYlSvSsVlQvYcIlMcNpEpVdNdFcGsWvLvIsRvSvIsHnRvWvSsAlSvMvMsVlLvMsMlIvLsHnVvFvRvVcYvLvTfGvGqFcKdKpPpRnEvLvTlWvVvSlGsVvIvLlAnVvIlTsVvSlFlGvVlTlGvYqScLrPsWvDdQpVrGnYqWvAsVcKqIvVcSlGqVvPqEcAvIdPdVpVc...
ANVYDWFEERLEIQAIAEDVTSKYVPPHVNIFYCLGGITLVCFLIQFATGFAMTFYYKPTVAEAYSSVQYIMNEVNFGWLIRSIHRWSASMMVLMMILHVFRVYLTGGFKKPRELTWVSGVILAVITVSFGVTGYSLPWDQVGYWAVKIVSGVPEAIPVVGVLISDLLRGGSSVGQATLTRYYSAHTFVLPWLIAVFMLFHFLMIRKQGISGPLATHKKPDLSDPTLRAKLAKGMGHNYYGEPAWPNDLLYVFPIVIMGSFACIVALAVLDPAMTGEPANPFATPLEILPEWYLYPVFQILRSLPNKLLGVLAMASVPLG...
4OGQ_7_k12
2
-5.8
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753
P74645
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7V0H_1_k12
0
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s559
P00157
[C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][Branch1][=Branch2][CH2][OH0][CH0][=Branch1][C][=OH0][CH2][CH3][OH0][H]
CCC(=O)OC[C@H](O)COP(=O)(O)O
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TNIRKSHPLMKIVNNAFIDLPAPSNISSWWNFGSLLGICLILQILTGLFLAMHYTSDTTTAFSSVTHICRDVNYGWIIRYMHANGASMFFICLYMHVGRGLYYGSYTFLETWNIGVILLLTVMATAFMGYVLPWGQMSFWGATVITNLLSAIPYIGTNLVEWIWGGFSVDKATLTRFFAFHFILPFIIMAIAMVHLLFLHETGSNNPTGISSDVDKIPFHPYYTIKDILGALLLILALMLLVLFAPDLLGDPDNYTPANPLNTPPHIKPEWYFLFAYAILRSIPNKLGGVLALAFSILILALIPLLHTSKQRSMMFRPLS...
6HAW_3_k12
0
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174
Q6ZJ05
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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RRDKLIIDTDPGIDDSMTILMAFRAPSVEIIGLTTIFGNVDTKGATRNALLLCERAGCPEVPVAEGSHEPLKGGKPRVADFVHGSDGIGNLFLPAPSAKKVEESAADFLINKVSEFPGEVSVLALGPLTNVALAIKRDPSFASKVKKIVVLGGAFFAAGNVNPAAEANIHGDPEAADIVFTSGADIVVVGINITTQVCLTDEDLLELRNSKGKHAAFLYEMCKFYRDWHAKSDGFHGIFLHDPVSFTAVLHPEYFTFKKGVVRVETQGICTGHTLMDQGLKKWNSENPWSGYKPISVAWTVDVPKVISFIKKLLMAPRDK...
6ZK4_2_k12
0
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6503
P11609
[C@@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Ring2][CH2][OH0][H][Branch1][Ring2][CH2][OH0][H][CH2][OH0][H]
NC(CO)(CO)CO
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5EQV_3_k12
0
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s263
Q03T06
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch2][Ring1][C][CH2][NH0][Branch1][C][H][CH0][=CH1][OH0][NH0][Branch1][C][H][CH1][Ring1][=Branch1][OH0][H][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][N]
CC1NC=C(COP(=O)(O)O)C(CNC2=CONC2O)=C1O
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3E6E_1_k12
1
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s214
Q8DZV4
[CH2][NH0][Branch2][Ring1][=C][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH0][Branch1][=N][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH1][Ring1][Branch2][=CH1][CH1][=CH1][Ring1][=C][CH2][CH2][NH0][Branch2][Ring1][O][CH0][=CH0][Branch1][=N][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH1][=CH...
COc1ccc(C2=C(N3CCN(S(=O)(=O)c4cccc(-c5ccc(OC)cc5)c4)CC3)NC=CN2)cc1
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SEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTPRMAEVASRDPKLYAMHPWVTSKPLPEYLWKKIANNCIFIVIHRSTTSQTIKVSPDDTPGAILQSFFTKMEQDFVLRVCGRDEYLVGETPIKNFQWVRHCLKNGEEIHVVLDTPPDPALDEVRKEETVSLWDCDRKFRVKIRGIDIPVLPRNLTVFVEANIQHGQQVLCQRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCQLLYYVNLLLIDHRFLLRRGEYVLHMWQISGFNADKLTSATNPDKENSMSISILLDNYCHPIALPKHQRAEM...
4ANV_1_k12
1
-11
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444205
P0A1F6
[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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EQVGTSQAEVHPSMTWQSCTAGGSCTTNNGKVVIDANWRWVHKVGDYTNCYTGNTWDTTICPDDATCASNCALEGANYESTYGVTASGNSLRLNFVTTSQQKNIGSRLYMMKDDSTYEMFKLLNQEFTFDVDVSNLPCGLNGALYFVAMDADGGMSKYPTNKAGAKYGTGYCDSQCPRDLKFINGQANVEGWQPSSNDANAGTGNHGSCCAEMDIWEANSISTAFTPHPCDTPGQVMCTGDACGGTYSSDRYGGTCDPDGCDFNSFRQGNKTFYGPGMTVDTKSKFTVVTQFITDDGTSSGTLKEIKRFYVQNGKVIPNS...
4V1Z_1_k12
0
-3.9
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s361
A0A140H546
[C@H1][Branch2][Ring2][Branch1][NH0][Branch2][Ring1][S][CH0][=Branch1][C][=OH0][C@@H1][Branch2][Ring1][Ring1][NH0][Branch1][#C][CH0][=Branch1][C][=OH0][OH0][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][H][C@H1][Branch1][C][CH3][CH3][H][Branch2][Ring1][=C][CH0][Branch2][Ring1][=Branch2][NH0][Branch1][C][H][NH0...
CCC(=O)N(CCC(N)=O)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C
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SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVTFQ
7SHB_1_k12
2
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174
Q04217
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6H57_1_k12
0
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s544
Q7Z8P9
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6XPW_1_k12
1
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s171
P03367
[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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GSMLIDLITSYRKTAAIYTFVDAGLSIHFKNGDYVDINKLASQYGIDYSRLNRLCDFLIEIGVLVSSDHGVALSEECSALADPNSVEFLTVKYEINSEHWDSWLMYPKSLLENNGKSAFEMVHGKSFFEHLDSNKGLKSDFDALMSKYTNKIIKELLVIYDFDKHNRILDLGGGDGELLIRISEQVKGKDYTVLDRYNEVPISEGINFIKGDFFKPIPTGYDLYILKNVLHNWPDNDAISILKNCREAMDNNATLLIITLMKKPQSLVVKSVDILMDMLFSAKQRYLSEFEDIANQAGLVIRHYKDLDEIFSLIELKVK
8BIR_1_k12
1
-8.9
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753
P45798
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6FP7_1_k12
0
-3.2
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174
Q2YHF0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4OOD_1_k12
0
-2.2
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79015
P0DTC1
[CH2][Branch1][Ring1][OH0][H][OH0][H]
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3E6Q_1_k12
0
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8117
P95867
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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8DL1_6_k12
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14033622
P9WQD9
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8T93_1_k12
2
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7R86_6_k12
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90655273
Q9Y697
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OS(O)(O)CCN1CCOCC1
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6SES_3_k12
0
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8117
Q04771
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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VLNGDLNRNGIVNDEDYILLKNYLLRGNKLVIDLNVADVNKDGKVNSTDCLFLKKYILGLITI
3UL4_1_k12
0
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s612
Q60034
[C@@H1][Branch1][#Branch2][CH2][OH0][PH0][Branch1][Ring1][OH0][H][OH0][H][OH0][C@@H1][Branch2][Ring1][=Branch1][NH0][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][O][CH2][CH2][Ring2][Ring1][#Branch1]
NC1C=CN([C@H]2CC[C@H](COP(O)O)O2)C(=O)N1
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4DSF_2_k12
2
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155926635
P11474
[CH0][Branch1][P][OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][CH1][=CH1][Ring1][=Branch2][=CH1][CH0][Branch1][=Branch2][C@@][Branch1][C][CH3][Branch1][C][CH3][CH3][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring2][Ring1][=Branch1]
CC(=O)c1ccc(Oc2ccc(O)c(C(C)(C)C)c2)cc1
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FVNALVSHLLVVEPEKLYAMPDHLPAVATLCDLFDREIVVTISWAKSIPGFSSLSLSDQMSVLQSVWMEVLVLGVAQRSLPLQDELAFAEDLVLDEEGARAAGLGELGAALLQLVRRLQALRLEREEYVLLKALALANSDSVHIEDAEAVEQLREALHEALLEYEAGRRRAGRLLLTLPLLRQTAGKVLAHFYGVKLEGKVPMHKLFLEMLEAMMD
7E2E_1_k12
1
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174
P22734
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4YEP_1_k12
0
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174
A0NLY7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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8F9X_2_k12
0
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s569
987639
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SMSYTWTGALITPCAAEESKLPINPLSNSLLRHHNMVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSKFGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQPGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQRVEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKATAACRAAKLQDCTMLVNGDDLVVI...
4JU1_2_k12
1
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92436657
I3R9M9
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O=c1ccn([C@H]2C[C@H](OP(=O)(O)O)[C@H](CO)O2)c(=O)[nH]1
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2DJH_2_k12
1
-7.3
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174
O07539
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3DNP_1_k12
0
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185698
P0A2K1
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OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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2YB7_1_k12
0
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444205
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1CLE_2_k12
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s622
O43613
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1G5N_1_k12
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