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
679
O15530
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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4AW0_2_k12
0
-2.7
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445318
P02699
[C@@H1][Branch1][#Branch2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring2][Ring1][Branch2]
CCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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6FK8_5_k12
2
-5
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10267
P83692
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O=P(O)(O)OC[C@H]1O[C@](O)(COP(=O)(O)O)[C@@H](O)[C@@H]1O
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5SCA_2_k12
1
-9
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753
G5EBR3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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STSRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGAKRELLEESGLSVDTLHKVGHISFEFVGSPELMDVHIFSADHVHGTPTESEEMRPQWFQLDQIPFADMWPDDSYWFPLLLQKKKFCGHFKFQDQDTILSYSLREVDSTSRLYTLVLVLQPQRVLLGMKKRGFGAGRWNGFGGKVQEGETIEDGAKRELLEESGLSVDTLHKVGHISFEFVGSPELMDVHIFSADHVHGTPTESEEMRPQWFQLDQIPFADMWPDDSYWFPLLLQKKKFCGHFKFQDQDTILSYSLREVDSF
6EHH_3_k12
0
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284
O32215
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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3DMN_3_k12
0
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s722
Q92PX0
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2X9G_1_k12
1
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s604
Q8CM25
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CO[C@]1(C(=O)N[C@@H](C)C2=CC=C(N3CC(F)=CN3)NC2)CC[C@H]([C@@H]2NC(C)=C[C@@H](N[C@@H]3C=C(C)NN3)N2)CC1
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GPLSLSVDAFKILEDPKWEFPRKNLVLGKTLGEGEFGKVVKATAFHLKGRAGYTTVAVKMLKENASPSELRDLLSEFNVLKQVNHPHVIKLYGACSQDGPLLLIVEYAKYGSLRGFLRESRKVGERALTMGDLISFAWQISQGMQYLAEMKLVHRDLAARNILVAEGRKMKISDFGLSRDVYSQGRIPVKWMAIESLFDHIYTTQSDVWSFGVLLWEIVTLGGNPYPGIPPERLFNLLKTGHRMERPDNCSEEMYRLMLQCWKQEPDKRPVFADISKDLEKMMVKRR
7JU5_2_k12
1
-10.8
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177
P68136
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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GEIAQALKEIAKALKEIAWALKEAAQALKGGEIAQALKEIAKALKEIAWALKEAAQALKG
7NFF_1_k12
0
-1.6
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753
O67610
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MQVNRLPFFTNHFFDTYLLISEDTPVGSSVTQLLARDMDNDPLVFGVSGEEASRFFAVEPDTGVVWLRQPLDRETKSEFTVEFSVSDHQGVITRKVNIQVGDVNDNAPTFHNQPYSVRIPENTPVGTPIFIVNATDPDLGAGGSVLYSFQPPSPFFAIDSARGIVTVIQELDYEVTQAYQLTVNATDQDKTRPLSTLANLAIIITDLEQYDDDWQYEDCKLARGGPPATIVAIDEESRNGTILVDNMLIKGTAGGPDPTIELSLKDNVDYWVLLDPVKQMLFLNSTGRVLDRDPPMNIHSIVVQVQCVNKKVGTVIYHEV...
4AXW_1_k12
0
-3
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439276
P58072
[CH2][Branch1][O][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][C@H1][Branch1][Ring2][CH2][OH0][H][OH0][H]
O=P(O)(O)OC[C@@H](O)CO
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SMSKVGINGFGRIGRLVLRRLLEVKSNIDVVAINDLTSPKILAYLLKHDSNYGPFPWSVDFTEDSLIVDGKSIAVYAEKEAKNIPWKAKGAEIIVECTGFYTSAEKSQAHLDAGAKKVLISAPAGEMKTIVYNVNDDTLDGNDTIVSVASCTTNCLAPMAKALHDSFGIEVGTMTTIHAYTGTQSLVDGPRGKDLRASRAAAENIIPHTTGAAKAIGLVIPELSGKLKGHAQRVPVKTGSVTELVSILGKKVTAEEVNNALKQATTNNESFGYTDEEIVSSDIIGSHFGSVFDATQTEITAVGDLQLVKTVAWYDNEYGF...
7C5P_2_k12
0
-4
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8134
O83080
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][CH3]
COCCOCCO
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NVLFTSVPQEDVPFYQEALKDLSLKIYTTDVSKVPENELKKAELISVFVYDKLTEELLSKMPRLKLIHTRSVGFDHIDLDYCKKKGILVTHIPAYSPESVAEHTFAMILTLVKRLKRIEDRVKKLNFSQDSEILARELNRLTLGVIGTGRIGSRVAMYGLAFGMKVLCYDVVKREDLKEKGCVYTSLDELLKESDVISLHVPYTKETHHMINEERISLMKDGVYLINTARGKVVDTDALYRAYQRGKFSGLGLDVFEDEEILILKKYTEGKATDKNLKILELACKDNVIITPHIAYYTDKSLERIREETVKVVKAFVKGD...
3KB6_3_k12
0
-2.5
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753
P22223
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DWVVAPISVPENGKGPFPQRLNQLKSNKDRDTKIFYSITGPGADSPPEGVFAVEKETGWLLLNKPLDREEIAKYELFGHAVSENGASVEDPMNISIIVTDQNDHKPKFTQDTFRGSVLEGVLPGTSVMQVTATDEDDAIYTYNGVVAYSIHSQEPKDPHDLMFTIHRSTGTISVISSGLDREKVPEYTLTIQATDMDGDGSTTTAVAVVEILD
4ZMN_1_k12
0
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445395
P0AGM7
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3N19_1_k12
1
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57383473
P16094
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C=CCN(Cc1ccccc1C(=O)N[C@H](C)CC)Cc1ccc2c(c1C(=O)O)OC[C@H](CCC(=O)O)O2
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4CEA_1_k12
1
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s94
P95629
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TTIAFLGLGNMGAPMSANLVGAGHVVRGFDPAPTAASGAAAHGVAVFRSAPEAVAEADVVITMLPTGEVVRRCYTDVLAAARPATLFIDSSTISVTDAREVHALAESHGMLQLDAPVSGGVKGAAAATLAFMVGGDESTLRRARPVLEPMAGKIIHCGAAGAGQAAKVCNNMVLAVQQIAIAEAFVLAEKLGLSAQSLFDVITGATGNCWAVHTNCPVPGPVPTSPANNDFKPGFSTALMNKDLGLAMDAVAATGATAPLGSHAADIYAKFAADHADLDFSAVIHTLRAR
5Y8N_3_k12
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447053
P72158
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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5VKS_4_k12
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130215601
Q0PC20
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4JOS_1_k12
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447053
P83775
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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5EIE_5_k12
0
-4
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753
P29473
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4JSM_3_k12
0
-3.6
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753
Q96323
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GAMGSMERASLIQKAKLAEQAERYEDMAAFMKGAVEKGEELSCEERNLLSVAYKNVVGGQRAAWRVLSSIEQKSNEEGSEEKGPEVREYREKVETELQGVCDTVLGLLDSHLIKEAGDAESRVFYLKMKGDYYRYLAEVATGDDKKRIIDSARSAYQEAMDISKKEMPPTNPIRLGLALNFSVFHYEIANSPEEAISLAKTTFDEAMADLHTLSEDSYKDSTLIMQLLRDNLTLWT
3MHR_1_k12
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444205
P79800
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8FA0_1_k12
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444205
P01901
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8SDF_2_k12
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s144
P9WQ25
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2VR5_1_k12
1
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444205
Q18938
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6FJG_2_k12
0
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174
P9WIL5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4MQ6_2_k12
0
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s74
P20586
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Cc1cc2c(cc1C)N(C[C@H](O)[C@H](O)[C@H](O)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N3CNC4=C(N)NCNC43)[C@H](O)[C@@H]1O)c1[nH]c(=O)[nH]c(=O)c1N2
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MKTQVAIIGAGPSGLLLGQLLHKAGIDNVILERQTPDYVLGRIRGGVLEQGMVDLLREAGVDRRMARLVHEGVEIAFAGQRRRIDLKRLSGGKTVTVYGQTEVTRDLMEAREACGATTVYQAAEVRLHDLQGERPYVTFERDGERLRLDCDYIAGCDGFHGISRQSIPAERLKVFERVYPFGWLGLLADTPPVSHELIYANHPRGFALCSQRSATRSRYYVQVPLSEKVEDWSDERFWTELKARLPSEVAEKLVTGPSLEKSIAPLRSFVVEPMQHGRLFLAGDAAHIVPPTGAKGLNLAASDVSTLYRLLLKAYREGRG...
1YKJ_1_k12
1
-12.8
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s630
P14169
[C@@H1][Branch2][Ring1][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][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][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][O][C@H1][Branch1][Ring1...
NC1C=CN([C@@H]2O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]2O)C(=O)N1
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AKLLITGGCGFLGSNLASFALSQGIDLIVFDNLSRKGATDNLHWLSSLGNFEFVHGDIRNKNDVTRLITKYMPDSCFHLAGQVAMTTSIDNPCMDFEINVGGTLNLLEAVRQYNSNCNIIYSSTNKVYGDLEQYKYNETETRYTCVDKPNGYDESTQLDFHSPYGCSKGAADQYMLDYARIFGLNTVVFRHSSMYGGRQFATYDQGWVGWFCQKAVEIKNGIPFTISGNGKQVRDVLHAEDMISLYFTALANVSKIRGNAFNIGGTIVNSLSLLELFKLLEDYCNIDMRFTNLPVREDQRVFVADIKKITNAIDWSPKVS...
1ORR_2_k12
1
-9
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445027
Q9R186
[OH0][=CH0][NH0][Branch1][C][H][C@@H1][Branch1][C][CH3][C@@H1][Branch1][N][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][NH0][Ring1][S][H]
C[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)O
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ESWAQSRDEQNLLQQKRIWESPLLLAAKENNVQALYKLLKFEGCEVHQKGAMGETALHIAALYDNNEAAQVLMEAAPELVFEPMTSELYEGQTALHIAVINQNVNLVRALLARGASVSARATGSVFHYRPHNLIYYGEHPLSFAACVGSEEIVRLLIEHGADIRAQDSLGNTVLHILILQPNKTFACQMYNLLLSYDGGDHLKSLELVPNNQGLTPFKLAGVEGNIVMFQHLMQKRKHIQWTYGPLTSTLYDLTEIDSSGDDQSLLELIVTTKKREARQILDQTPVKELVSLKWKRYGRPYFCVLGAIYVLYIICFTMCC...
5WO8_1_k12
2
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25756418
Q4L3L8
[CH1][=CH1][CH0][Branch2][Ring1][#Branch2][NH0][Branch1][C][H][S@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][CH1][=CH1][CH1][=CH1][CH0][Ring1][=Branch1][=CH1][Ring1][#Branch2][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH0][Ring2][Ring1][=Branch2][BrH0]
O=C(O)c1cc(Br)ccc1NS(=O)(=O)c1ccc2ccccc2c1
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MSLNIITVTLNMEKYNFLGISIVGQSNEGIYIGSIMKGGAVAADGRIEPGDMLLQVNEINFENMSNDDAVRVLREIVHKPGPITLTVAKS
6ZC6_2_k12
2
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90655273
P50440
[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
GdEdWkEdIwIdDdIfGdPpFvTnQfNvLvGqKvFvAvVlDvEvEvNvKvIvGqQpYvGhRrLdTdFdNdKgVdIdRdPtCdMmKdKdTdIdYdEdDdKqGkYdEkYdQwLdYfVdYaAdSpDnKaLtFkRiAwDiIkSiEaDgYpKpTvRgGdRiKdLtLpRdFiNdGdPsVdPdPdPd
GEWEIIDIGPFTQNLGKFAVDEENKIGQYGRLTFNKVIRPCMKKTIYEDKGYEYQLYVYASDKLFRADISEDYKTRGRKLLRFNGPVPPP
7D75_1_k12
0
-2.7
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s1030
P16442
[CH1][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][SH0][CH1][Branch1][N][NH0][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1][NH0][Ring2][Ring1][Ring1][H]
c1ccc(C2NSC(N3CCNCC3)N2)cc1
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AIGEFMVSLPRMVYPQPKVLTPCRKDVLVVTPWLAPIVWEGTFNIDILNEQFRLQNTTIGLTVFAIKKYVAFLKLFLETAEKHFMVGHRVHYYVFTDQPAAVPRVTLGTGRQLSVLEVWQDVSMRRMEMISDFCERRFLSEVDYLVCVDVDMEFRDHVGVEILTPLFGTLHPSFYGSSREAFTYERRPQSQAYIPKDEGDFYYMGAFFGGSVQEVQRLTRACHQAMMVDQANGIEAVWHDESHLNKYLLRHKPTKVLSPEYLWDQQLLGWPAVLRKLRFTAVPKNHQAVR
3U0X_2_k12
2
-6.4
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6VEI_1_k12
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444205
P29476
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4Q3G_1_k12
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174
P08170
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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1Y4K_1_k12
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444205
Q5R5H1
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1GQR_2_k12
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8117
Q95M18
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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1YT1_1_k12
0
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154815630
Q6TEK8
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Cc1c(CC[C@H](C)CCC[C@H](C)CCCC(C)C)c(O)c2ccccc2c1O
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MSKGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNLRVSTPRWERIARVLVCLLGILLSLYAFHVEREHARDPSYKALCDVSSSISCSKVFGSRWGRGFGLLGSIFGNDSALNQPNSVYGIVFYAFQLLLGMTVSAMAALILMTTSIMSVVGSLYLGYILYFVLKDLSVICVTTYALNFILFVLNYKRLVYLNEANSHNVYITADKQKNGIKAN...
6WV8_2_k12
1
-9.5
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221493
P00415
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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
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HQTHAYHMVNPSPWPLTGALSALLMTSGLTMWFHFNSMTLLMIGLTTNMLTMYQWWRDVIRESTFQGHHTPAVQKGLRYGMILFIISEVLFFTGFFWAFYHSSLAPTPELGGCWPPTGIHPLNPLEVPLLNTSVLLASGVSITWAHHSLMEGDRKHMLQALFITITLGVYFTLLQASEYYEAPFTISDGVYGSTFFVATGFHGLHVIIGSTFLIVCFFRQLKFHFTSNHHFGFEAAAWYWHFVDVVWLFLYVSIYWWGSFENRVAEKQKLFQEDNGLPVHLKGGATDNILYRVTMTLCLGGTLYSLYCLGWASFPHK
7TII_1_k12
2
-6.7
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P0C0Y8
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3O9L_2_k12
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24916874
P20871
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OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)C[C@@H]1O
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8OZ1_3_k12
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753
A0A173GP47
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OCC(O)CO
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4XT7_4_k12
0
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s917
Q8T6T2
[CH1][=CH0][NH0][Branch2][Ring1][Branch1][CH2][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=CH1][CH1][=CH0][Branch1][C][BrH0][CH1][=CH1][Ring1][#Branch1][CH1][Branch1][O][CH1][NH0][Branch1][C][H][CH1][=CH1][SH0][Ring1][=Branch1][NH0][Branch1][C][H][CH0][Ring2][Ring1][Branch2][=CH1][CH1][=CH1][Ring2][Ring1][N]
O=C(CN1c2ccccc2NC1C1NC=CS1)Nc1ccc(Br)cc1
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TKNIGKGLTFEDILLVPNYSEVLPREVSLETKLTKNVSLKIPLISSAMDTVTEHLMAVGMARLGGIGIIHKNMDMESQVNEVLKVKNSGGLRVGAAIGVNEIERAKLLVEAGVDVIVLDSAHGHSLNIIRTLKEIKSKMNIDVIVGNVVTEEATKELIENGADGIKVGIGPGSICTTRIVAGVGVPQITAIEKCSSVASKFGIPIIADGGIRYSGDIGKALAVGASSVMIGSILAGTEESPGEKELIGDTVYKYYRGIEGRVKYKGEMEGVVYQLVGGLRSCMGYLGSASIEELWKKSSYVEITTSMGTKNIGKGLTFED...
3KHJ_3_k12
1
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174
Q39054
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MIPTEEALRIVFGVSKRLPPVIVSLYEALGKVLAEDIRAPDPLPPYPASVKDGYAVVASDGPGEYPVITESRAGNDGLGVTVTPGTVAYVTTGGPIPDGADAVVQVEDTKVIGDVSKRVKILIQTKKGTDIRRVGCDIEKDATVLTTGERIGASEIGLLATAGVTMVKVYPMPIVAILSTGDELVEPTAGTLGRGQIRDSNRAMLVAAVMQQQCKVVDLGIVRDDRKELEKVLDEAVSSGVDIILTSGGVSMGDRDFVKPLLEEKGKVYFSKVLMKPGKPLTFAEIRAKPGKTVLAFGLPGNPVACLVCFNIFVVPTIRQ...
6GB9_2_k12
0
-2.7
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79025
P21543
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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4E2O_3_k12
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444205
Q6NSJ0
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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LLDLKAGGFSIRNQKGEQVFRLAFRSGALDLDSCSRDGALLGCSLTADGLPLHFFIQTVRPKDTVMCYRVRWEEGRAVEHAMFLGDAAAHWYGGAEMRTQHWPIRLDGQQEPQPFVTSDVYSSDAAFGGILERYWLSSRAAAIKVNDSVPFHLGWNSTERSLRLQARYHDTPYKPPAPELSYRVCVGSDVTSIHKYMVRRYFNKPSRVPAPEAFRDPIWSTWALYGRAVDQDKVLRFAQQIRLHHFNSSHLEIDDMYTPAYGDFDFDEVKFPNASDMFRRLRDAGFRVTLWVHPFVNYNSSRFGEGVERELFVREPTGRL...
7QQG_1_k12
0
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753
P14604
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4UOE_2_k12
0
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4FWG_1_k12
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7ZZ7_1_k12
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5O1V_1_k12
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753
Q8I5R7
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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NLYFQSNALDKINRYAHGFVAVPVICACSEAGVFELLSQKKSLKLEEIVEHLAANSGHLMVAMRLLESLSFLYRSQAEEYILTEQSQQHQIIPKALMSLYKYPFELYLKGEVETGISNWINCSSRRWDTENSLLSDLLDGVLLIPLLLELKKQNLLDESKKIFNTLTNSLKQELSTLFINLGWAEEKTEGLYLTDIGRFMRDRSLNLGTTASYAPMLLQMKELLFGNPQRVFQRNKTEKERHVNRTLNVVASGFQHEKFFADTDKIIISIFNQQPIEEQPIYIVDMGCGDGTLLKRIYKIIKQFSARGKVLTEYPIIMVG...
7UCH_2_k12
0
-4
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s585
Q6DTN4
[C@H1][Branch2][Ring2][#Branch1][C@@H1][NH0][Branch1][C][H][CH0][Branch1][C][ClH0][=CH0][Branch2][Ring1][Branch1][CH0][=CH1][CH1][=CH0][Branch1][O][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][CH3][H][CH1][=CH1][Ring1][N][NH0][Ring2][Ring1][Ring1][H][Branch1][#Branch2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring...
COC(=O)Nc1ccc(C2=C(Cl)N[C@@H]([C@@H](Cc3ccccc3)NC(=O)C=Cc3cc(Cl)ccc3N3CNNN3)N2)cc1
IdVaGqGwTdAfSdVdRqGlErWqPqWqQkVkTfLkHwTfTpSvPpThQtRdHtLqCeGiGwSgIhIaGfNfQfWkItLkTfAfAqHvCsFcYvGvVvEpSdPlKqIrLiRwViYdStGlIaLfNfQpSvEvIdKdEpDpTdSdFtFwGgVfQpEdIkIaIqHqDvQvYdKdMaAlElSvGaYsDgImAiLmLtKgLtEpTdTtVhGdYdGdDsSsQhRdPgIaCaLaPdSdKlGvDcRpNpVdIaYfTqDwCkWkVaTkGfWqGdYaRnKfLaRpDgKdIgQhNgTgLiQtKmAdKtIwPhLkVdTdNqEvElCqQcKv...
IVGGTASVRGEWPWQVTLHTTSPTQRHLCGGSIIGNQWILTAAHCFYGVESPKILRVYSGILNQSEIKEDTSFFGVQEIIIHDQYKMAESGYDIALLKLETTVGYGDSQRPICLPSKGDRNVIYTDCWVTGWGYRKLRDKIQNTLQKAKIPLVTNEECQKRYRGHKITHKMICAGYREGGKDACKGDSGGPLSCKHNEVWHLVGITSWGEGCAQRERPGVYTNVVEYVDWILEKTQAV
4Y8X_2_k12
1
-11.4
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s617
Q8NEB9
[CH1][Branch1][N][NH0][C@H1][Branch1][C][CH3][CH2][OH0][CH2][CH2][Ring1][#Branch1][CH1][=CH0][NH0][Branch1][Branch1][NH0][Ring1][N][H][C@H1][Branch1][=Branch1][C@@H1][Branch1][C][CH3][CH3][CH2][NH0][Branch1][C][H][CH0][Ring1][N][=OH0]
CC(C)[C@@H]1CNC(=O)C2=CC(N3CCOC[C@H]3C)NN21
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SDHDLKPNAATRDQLNIIVSYPPTKQLTYEEQDLVWKFRYYLTNQEKALTKFLKCVNWDLPQEAKQALELLGKWKPMDVEDSLELLSSHYTNPTVRRYAVARLRQADDEDLLMYLLQLVQALKYENFDDIKNGLEQDLCTFLISRACKNSTLANYLYWYVIVECEDQDTQQRDPKTHEMYLNVMRRFSQALLKGDKSVRVMRSLLAAQQTFVDRLVHLMKAVQRESGNRKKKNERLQALLGDNEKMNLSDVELIPLPLEPQVKIRGIIPETATLFKSALMPAQLFFKTEDGGKYPVIFKHGDDLRQDQLILQIISLMDKL...
7RSP_2_k12
1
-8.4
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753
P15121
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MNVFNPAQFRAQFPALQDAGVYLDSAATALKPEAVVEATQQFYSLSAGNVHRSQFAEAQRLTARYEAAREKVAQLLNAPDDKTIVWTRGTTESINMVAQCYARPRLQPGDEIIVSVAEHHANLVPWLMVAQQTGAKVVKLPLNAQRLPDVDLLPELITPRSRILALGQMSNVTGGCPDLARAITFAHSAGMVVMVDGAQGAVHFPADVQQLDIDFYAFSGHKLYGPTGIGVLYGKSELLEAMSPWLGGGKMVHEVSFDGFTTQSAPWKLEAGTPNVAGVIGLSAALEWLADYDINQAESWSRSLATLAEDALAKRPGFRS...
5FT5_1_k12
0
-3.6
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s761
Q02127
[NH0][Branch1][C][H][CH0][Branch1][Ring2][OH0][CH2][CH3][=CH0][CH0][=Branch1][#Branch1][=CH1][CH1][=CH1][CH2][Ring1][=Branch1][NH0][Branch1][C][H][CH1][Ring1][#C][NH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][CH2][CH3][H]
CCOC1=C2CC=CC=C2NC(NC(=O)CC)N1
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5MI4_2_k12
2
-6.4
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176
P0DTC1
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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6VLI_2_k12
0
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121904
Q5J1R4
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CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@H]1C
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DAVPAYPFSLPHALDLDPHYAELRRDEPVSRVRLPYGEGTAWLVTRMSDARIVLGDSRFSTAAATDPATPRMFPTPPEPDGVLAQDPPDHTRLRRLVGKAFTARRVEEMRPRVRSLVDSLLDDMVAHGSPADLVEFLAVPFPVAVICELLGVPLEDRDLFRTFSDAMLSSTRLTAAEIQRVQQDFMVYMDGLVAQRRDAPTEDLLGALALATDNDDHLTKGEIVNMGVSLLIAGHETSVNQITNLVHLLLTERKRYESLVADPALVPAAVEEMLRYTPLVSAGSFVRVATEDVELSTVTVRAGEPCVVHFASANRDEEVF...
6ZI3_5_k12
1
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s685
P22390
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6RMD_2_k12
1
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8761
P13035
[NH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
O=C(O)CN(CCO)CCO
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METKDLIVIGGGINGAGIAADAAGRGLSVLMLEAQDLACATSSASSKLIHGGLRYLEHYEFRLVSEALAEREVLLKMAPHIAFPMRFRLPHRPHLRPAWMIRIGLFMYDHLGKRTSLPGSTGLRFGANSVLKPEIKRGFEYSDCWVDDARLVLANAQMVVRKGGEVLTRTRATSARRENGLWIVEAEDIDTGKKYSWQARGLVNATGPWVKQFFDDGMHLPSPYGIRLIKGSHIVVPRVHTQKQAYILQNEDKRIVFVIPWMDEFSIIGTTDVEYKGDPKAVKIEESEINYLLNVYNTHFKKQLSRDDIVWTYSGVRPLC...
2R4J_4_k12
0
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8117
P28720
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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7LUT_3_k12
0
-2.8
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753
P03951
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MLRISQEALTFDDVLLIPGYSEVLPKDVSLKTRLTRGIELNIPLVSAAMDTVTEARLAIAMAQEGGIGIIHKNMGIEQQAAEVRKVKKHETAIVRDPVTVTPSTKIIELLQMAREYGFSGFPVVEQGELVGIVTGRDLRVKPNAGDTVAAIMTPKDKLVTAREGTPLEEMKAKLYENRIEKMLVVDENFYLRGLVTFRDIEKAKTYPLASKDEQGRLRVGAAVGTGADTGERVAALVAAGVDVVVVDTAHGHSKGVIERVRWVKQTFPDVQVIGGNIATAEAAKALAEAGADAVKVGIGPGSICTTRIVAGVGVPQISAI...
4DQW_1_k12
0
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447053
P27338
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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1W9B_4_k12
0
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s37
P01899
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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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5CCX_1_k12
1
-9.7
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s197
Q97U96
[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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LYFQSMFSYDQFFRDKIMEKKQDHTYRVFKTVNRWADAYPFAQHFSKDVSVWCSNDYLGMSRHPQVLQATQETLQRHGVGAGGTRNISGTSKFHVELEQELAELHQKDSALLFSSCFVANDSTLFTLAKILPGCEIYSDAGNHASMIQGIRNSGAAKFVFRHNDPDHLKKLLEKSNPKIPKIVAFETVHSMDGAICPLEELCDVSHQYGALTFVDEVHAVGLYGSRGAGIGERDGIMHKIDIISGTLGKAFGCVGGYIASTRDLVDMVRSYAAGFIFTTSLPPMVLSGALESVRLLKGEEGQALRRAHQRNVKHMRQLLM...
6HRH_1_k12
1
-8.4
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753
P02699
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SKILVFGHQNPDSDAIGSSYAFAYLAREAYGLDTEAVALGEPNEETAFVLDYFGVAAPRVITSAKAEGAEQVILTDHNEFQQSVADIAEVEVYGVVDHHRVANFETANPLYMRLEPVGSASSIVYRMFKEHSVAVSKEIAGLMLSGLISDTLLLKSPTTHPTDKAIAPELAELAGVNLEEYGLAMLKAGTNLASKSAEELIDIDAKTFELNGNNVRVAQVNTVDIAEVLERQAEIEAAIEKAIADNGYSDFVLMITDIINSNSEILAIGSNMDKVEAAFNFVLENNHAFLAGAVSRKKQVVPQLTESFNA
1K20_1_k12
0
-3
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s499
Q02127
[C@@H1][Branch2][Ring1][#C][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][SH0][H][OH0][H][OH0][C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)S)[C@@H](O)[C@H]3O)C2NCN1
VdLlAcRlKvWqRqPdQlTaFlAvDsVqVfGpQqEvHvVvLlTvAvLlAqNvGcLqSvLvGvRnIdHaHqAeYaLeFeSeGaTdRaGaVnGqKqTvSsIvAlRlLlLqAvKqGlLqNfCaEpTvGhInThAnTgPrCvGcVpCdDpNqCnRvEcIsEsQvGvRnFhVqDqLeIaEeIaDeAlApSdRpTpKcVlEvDvTnRlDvLcLlDlNdVpQdYlAcPgApRpGtRqFaKrVeYyLeIyDeEqVvHlMsLhSdRpHnSsFlNvAsLqLlKvTcLlEvEvPpPrEpHsVyKhFyLyLyAyThThDcPlQpKsLhPdVv...
VLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQGRFVDLIEIDAASRTKVEDTRDLLDNVQYAPARGRFKVYLIDEVHMLSRHSFNALLKTLEEPPEHVKFLLATTDPQKLPVTILSRCLQFHLKALDVEQIRHQLEHILNEEHIAHEPRALQLLARAAEGSLRDALSLTDQAIASGDGQVSTQAVSAMLGTVLARKWRPQTFADVVGQEHVLTALANGLSLGRIHHAYLFSGTRGVGKTSIARLLAKGLNCETGITATPCGVCDNCREIEQG...
1NJF_1_k12
1
-10
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174
P67080
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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SVFSERTEESSAVQYFQFYGYLSQQQNMMQDYVRTGTYQRAILQNHTDFKDKIVLDVGCGSGILSFFAAQAGARKIYAVEASTMAQHAEVLVKSNNLTDRIVVIPGKVEEVSLPEQVDIIISEPMGYMLFNERMLESYLHAKKYLKPSGNMFPTIGDVHLAPFTDEQLYMEQFTKANFWYQPSFHGVDLSALRGAAVDEYFRQPVVDTFDIRILMAKSVKYTVNFLEAKEGDLHRIEIPFKFHMLHSGLVHGLAFWFDVAFIGSIMTVWLSTAPTEPLTHWYQVRCLFQSPLFAKAGDTLSGTCLLIANKRQSYDISIVA...
5K8X_1_k12
0
-2.5
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s644
P0A017
[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][=CH...
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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MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
6E4E_1_k12
1
-11.4
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5997
P50128
[CH2][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][CH0][=CH1][CH2][C@@H1][C@@H1][Branch1][#Branch1][C@@][Ring1][N][Ring1][=Branch1][CH3][CH2][CH2][C@@][Branch1][C][CH3][C@H1][Ring1][=Branch2][CH2][CH2][C@@H1][Ring1][=Branch1][C@H1][Branch1][C][CH3][CH2][CH2][CH2][C@H1][Branch1][C][CH3][CH3]
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
KdNdWpSvAlLvLvTlAvVvVlIlIvLlTlIqAvGlNlIvLlVlIlMlAlVcSvLaEaKpKvLqQvNdAlTlNsYvFlLvMnSlLlAsIvAlDsMnLlLcGsFpLqVqMrPvVlSlMsLvTcIvLvYvGvYlRqWrPdLdPdSlKlLvClAlVvWsIqYlLsDnVqLlFsSlTlAlKnIlWlHsLlClAvIsSlLvDvRvYlVvAvIlQvNdPpSdRvTvKvArFvLvKvIsIvAvVsWsTvIvSsVcGvIlSsMvPvIrPsVvFvGcLsQvDpDvSqKcVqFdKdEpGsSgCgLhLgAnDdDvNcFnVlLvIcGcScFc...
KNWSALLTAVVIILTIAGNILVIMAVSLEKKLQNATNYFLMSLAIADMLLGFLVMPVSMLTILYGYRWPLPSKLCAVWIYLDVLFSTAKIWHLCAISLDRYVAIQNPSRTKAFLKIIAVWTISVGISMPIPVFGLQDDSKVFKEGSCLLADDNFVLIGSFVSFFIPLTIMVITYFLTIKSLQKEAQSISNEQKACKVLGIVFFLFVVMWCPFFITNIMAVICKESCNEDVIGALLNVFVWIGYLNSAVNPLVYTLFNKTYRSAFSRYIQCQYKEADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDADILVGQ...
7VOD_1_k12
1
-7.4
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8761
P03437
[NH0][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
O=C(O)CN(CCO)CCO
EdLfVaQfSeSdSfTdGlKaIaCaNcNpPdHwRnIeLaDeGpIvDqCdTdLpIvDcAlLlLqGaDqPlHvCnDvVvFqQaNfEpTfWgDqLeFyVeEyReSpKnAhFdSgNqCaYfPaYaDaVePdDpYvAvSvLvRqSwLqVvAqSqSqGgTtLsEdFwIdTfEdGdFkTdWqTpGqVwTdQkNqGdGfSdNvAsCrKdRnGpPpGdStGhFhFrSpRfLwNiWwLtTfKgSdGpSqTaYfPdVwLdNkVtTkMdPaNaNqDdNqFfDkKwLkYwIkWwGkIfHkHaPeSaTdDqQvEvQqTcSvLtYqVvQdAsSwGk...
ELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGIHHPSTDQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRGLSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQ
6XPX_3_k12
0
-3.2
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s77
P73922
[C@@H1][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=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@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][=N][O...
NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
GdSaVaDdSpTcLvGlLvElIcIqEvVlVfEvQqAlAlIvAqSlAlKvWlMaGqKvGqEdKlNvTnAsDqQvVsAlVqEvAsMsRqEvRsMqNqKaIaHlMaRwGeRfIeVlIaGdEdGeEdRpDvDpAdPpMgLsYyIhGgEdEiVgGyIvCcTnRdEpDvAnKvSvFpChNdPpDnErLnVfEyIkDyIkAhVwDdPsCwEfGpTsNvLcVrAnYrGlQhNdGaSiMkAgVkLmAkImSfEgKpGvGqLaFpAsAdPdDfFfYkMkKwKkLkAwAfPePlAlAcKaGpHvVaDdIlDpKdSaApTlEvNnLlKvIsLl...
GSVDSTLGLEIIEVVEQAAIASAKWMGKGEKNTADQVAVEAMRERMNKIHMRGRIVIGEGERDDAPMLYIGEEVGICTREDAKSFCNPDELVEIDIAVDPCEGTNLVAYGQNGSMAVLAISEKGGLFAAPDFYMKKLAAPPAAKGHVDIDKSATENLKILSDCLNRSIEELVVVVMDRPRHKELIQEIRNAGARVRLISDGDVSAAISCAFSGTNIHALMGIGAAPEGVISAAAMRCLGGHFQGQLIYDPEVVKTGLIGESREGNLERLASMGIKNPDQVYNCEELACGETVLFAACGITPGTLMEGVRFFHGGVRTQSL...
3RPL_1_k12
1
-8.6
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753
O02705
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
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6O2W_1_k12
0
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s212
Q92974
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7SNL_1_k12
1
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174
P16410
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5SD0_2_k12
0
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753
P29274
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DDGRRPIRRALISVYDKTGLVDLAQGLSAAGVEIISTGSTAKTIADTGIPVTPVEQLTGFPEVLDGRVKTLHPRVHAGLLADLRKSEHAAALEQLGIEAFELVVVNLYPFSQTVESGASVDDCVEQIDIGGPAMVRAAAKNHPSAAVVTDPLGYHGVLAALRAGGFTLAERKRLASLAFQHIAEYDIAVASWMQQTLAPEHPVAAFPQWFGRSWRRVAMLRYGENPHQQAALYGDPTAWPGLAQAEQLHGKDMSYNNFTDADAAWRAAFDHEQTCVAIIKHANPCGIAISSVSVADAHRKAHECDPLSAYGGVIAANTEV...
3ZZM_2_k12
0
-2.8
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s977
E9AE57
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NC1=C2NCN([C@@H]3O[C@@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
EdNqIkVdVaGaPaKaPfFpYdPdIlEdEdGfSfAlGlTvQlLlRlKvYlMlEvRvYqAqKvLvGqAfIwAaFeTaNaAlVvTvGrVdDtYdSgYsAvEnYlLlElKlSlClClLvGlKqAlLvQvNlYvGpLdVaVaDaGaReIeAeLeCeSeEfNdCdErEqFvFcIsPvVlIsAsGcLrFqIhGnVyGeVyAaPyThNyElIpYdTdLlRvElLvVlHlSsLcGvIqSrKlPhTqIeVyFaSySeKpKsGsLvDvKsVvIvTvVsQcKvTrVsTvTsIhKdTaIyVeIhLrDpSdKpVcDaYdRpGpYhQhChLsDv...
ENIVVGPKPFYPIEEGSAGTQLRKYMERYAKLGAIAFTNAVTGVDYSYAEYLEKSCCLGKALQNYGLVVDGRIALCSENCEEFFIPVIAGLFIGVGVAPTNEIYTLRELVHSLGISKPTIVFSSKKGLDKVITVQKTVTTIKTIVILDSKVDYRGYQCLDTFIKRNTPPGFQASSFKTVEVDRKEQVALIMNSSLPKGVQLTHENIVTRFSHARDPIYGNQVSPGTAVLTVVPFHHGFGMFTTLGYLICGFRVVMLTKFDEETFLKTLQDYKCTSVILVPTLFAILNKSELLNKYDLSNLVEIASGGAPLSKEVGEAVAR...
2D1Q_1_k12
1
-8.8
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12000813
P29473
[C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][=Branch1][C][=OH0][CH3][H][C@H1][Branch1][=C][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][Ring2][Ring1][#Branch2]
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2W68_1_k12
2
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15923963
Q5ZID0
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COC(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O)C[C@@]1(C)O)C(=O)c1c(O)ccc(O)c1C3=O
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5F5N_4_k12
1
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82693
P08709
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O=C(O)c1cc2cc(Cl)ccc2[nH]1
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4X8U_2_k12
2
-6.6
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s580
M3TYT0
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2F2U_1_k12
1
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C0HK20
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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6L6H_1_k12
0
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174
Q5NTA4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4IJ4_2_k12
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3C7N_1_k12
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753
P56463
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OCC(O)CO
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7OOY_1_k12
0
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753
P0A017
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRNVVLTSDTSFNVEGVDVIHSIEDIYQLPGHVFIFGGQTLFEEMIDKVDDMYITVIEGKFRGDTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKKLVPR
4FGG_2_k12
0
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3PUW_3_k12
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5PIS_1_k12
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5460481
P13516
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679
P11838
[OH0][=S@][Branch1][C][CH3][CH3]
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P00327
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
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IVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSRFTFGPGTKVDIKEIVLTQSPGTLSLSPGERATLSCRASQSVSSSYLAWYQQKPGQAPRLLIYGASSRATGIPDRFSGSGSGTDFTLTISRLEPEDFAVYYCQQYGSSRFTFGPGTKVDIKGS
7JO8_3_k12
0
-3
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753
Q99046
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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VQIGPVTDLHIVNADIVPDGFVRPAVNAGGTFPGPVIAGNVGDNFQIVTFNQLIECSMLVDTSIHWHGEFQKGTNWADGPAFITQCPIIVGNSFSYNFNVPGMAGTYWYHSHLTTQYCDGLRGPFVVYDPNDPDANLYDVDDDTTIITLADWYHVLAKEMGAGGAITADSTLIDGLGRTHVNVAAVPLSVITVEVGKRYRMRLVSISCDPNYDFSIDGHDMTIIETDGVDSQELTVDEIQIFAAQRYSFVLNANQPVGNYWIRANPNSGGEGFDGGINSAILRYDGATTADPVTVASTVHTKCLIETDLHPLSRNGVPGN...
3T6Z_1_k12
0
-3.6
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753
Q9UGL1
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4OHO_3_k12
0
-4
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447053
P11609
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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4Y16_3_k12
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71737797
Q8N8S7
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3W0H_1_k12
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