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
444205
Q8I6U4
[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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2JDH_2_k12
2
-5.8
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s69
Q9NPB1
[C@H1][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][CH1][=CH0][NH0][Branch1][C][H][CH1][=CH1][NH0][Branch1][C][H][CH0][Ring1][Branch2][=CH0][Branch1][=C][NH0][Branch1][C][H][CH2][CH2][CH2][CH2][NH0][Branch1][C][H][H][NH0][Ring2][Ring1][N][H]
Cc1ccc([C@H]2C=C3NC=CNC3=C(NCCCCN)N2)cc1
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VYLDRKLLTLEDKELGSGNFGTVKKGYYQMKKVVKTVAVKILKNEANDPALKDELLAEANVMQQLDNPYIVRMIGICEAESWMLVMEMAELGPLNKYLQQNRHVKDKNIIELVHQVSMGMKYLEESNFVHRDLAARNVLLVTQHYAKISDFGLSKALRADENYYKAQGKWPVKWYAPECINYYKFSSKSDVWSFGVLMWEAFSYGQKPYRGMKGSEVTAMLEKGERMGCPAGCPREMYDLMNLCWTYDVENRPGFAAVELRLRNYYYD
5LMA_1_k12
1
-7.8
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448009
P84751
[C@][Branch1][=Branch1][NH0][Branch1][C][H][H][Branch1][Branch1][CH2][CH2][OH0][H][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
NC(CCO)(CCO)CCO
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6C5H_1_k12
0
-3.7
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176
P04637
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4IBU_2_k12
0
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6503
D0ZLR3
[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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MGPFDPEEMLFIFTRCMEDNLEDGANRLPMLAKWKEWINEPVDSPATQCFGKCVLVRTGLYDPVAQKFDASVIQEQFKAYPSLGEKSKVEAYANAVKQLPSTNNDCAAVFKAYDPVHKAHKDTSKNLFHGNKELTKGLYEKLGKDIRQKKQSYFEFCENKYYPAGSDKRQQLCQIRQYTVLDDALFKEHTDCVMKGIRYITKDNQLDVEEVKRDFKLVNKDTKALEEVLNDCKSKEPSNAKEKSWHYYKCLVESSVKDDFKEAFDYREVRSQIYAFNLPKNQAYSKPAVMEIDGKQCP
3DZT_3_k12
0
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753
Q27793
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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FMVSLPRMVYPQPKVLTPCRKDVLVVTPWLAPIVWEGTFNIDILNEQFRLQNTTIGLTVFAIKKYVAFLKLFLETAEKHFMVGHRVHYYVFTDQPAAVPRVTLGTGRQLSVLEVGWQDVSMRRMEMISDFCERRFLSEVDYLVCVDVDMEFRDHVGVEILTPLFGTLHPSFYGSSREAFTYERRPQSQAYIPKDEGDFYYMGAFFGGSVQEVQRLTRACHQAMMVDQANGIEAVWHDESHLNKYLLRHKPTKVLSPEYLWDQQLLGWPAVLRKLRFTAVP
2RIT_1_k12
0
-3.1
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753
P17164
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdHaLdTdDpNdIpLlQqPqKfRaSdSpDpFdMdAdFdKdYdEpYaSfTqVvDnLlYqRvEpFpSaEvSvIlMqDvKlAlRvSvElVvEvIvLlEvSvVlNqRvQpGfRqYaKhPlNdVlEvSrLqKvLpHaEaVdPdElWqFvElDqAfKqLeGeIaFeLeDqWdGdPlWlSlVrPrGqYdAdPpLlKdGdAqEfAdSpTlGrGfSdYePsDvWcYcElFpLcMcDvNpLvYcKvEvYnHcDcEvVgWyGrApDpFcRhRsDlDvFsLfPqLlLlTaGlElNvFaNdSlElEvYvMvLvLlAcVvNlSlGsAgKqYeFy...
KHLTDNILQPKRSSDFMAFKYEYSTVDLYREFSESIMDKARSEVEILESVNRQGRYKPNVESLKLHEVPEWFEDAKLGIFLDWGPWSVPGYAPLKGAEASTGGSYPDWYEFLMDNLYKEYHDEVWGADFRRDDFLPLLTGENFNSEEYMLLAVNSGAKYFVPFTKHHAGWTMWESEFTKRNAVEMGPGRDIYKELIEAGKKYDMKMGFYFSVSEWEYPVIVDQNLSQWDPVKNLAIFQDALGQIPRATPLASYFPALHDRMISGKIPVKDYFADYMIPSFKEAVDKYDPDLVWYDGGWGSPVSISRTMETSAYFYNQAEG...
7XSG_2_k12
0
-3
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s1026
Q6PCN3
[PH0][Branch1][#Branch1][NH0][Branch1][C][H][CH2][CH3][Branch1][Ring1][OH0][H][OH0][CH2][CH3]
CCNP(O)OCC
DdIdIwIfAaTaKpNqGeKiVeRdGwMdQwLdTdVdFpGnGfTiVkTtAkFqLaGwIdPaYlAfQdPqPcLaGqRqLnRfFqKaKaPtQhSgLdTdKhWdSyDdIyWhNyArTyKhYhAdNaSaCeCqQaNdIaDdQpSpFdPpGpFfHcGlSrEcMlWfNgPdNdThDhLySdEsDrCfLwYtLkNmVkWmIfPgApPpKqPaKaNaAaTaVeLeIeWeIfYeGdGdGlFlQgThGgTgScSpLrHpVlYnDdGqKhFvLlArRhVqEvRrVhImVyVmSyMtNhYfRhVgGfAcLrGqFaLqAdLdPaGqNdPnEsAn...
DIIIATKNGKVRGMQLTVFGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSDIWNATKYANSCCQNIDQSFPGFHGSEMWNPNTDLSEDCLYLNVWIPAPKPKNATVLIWIYGGGFQTGTSSLHVYDGKFLARVERVIVVSMNYRVGALGFLALPGNPEAPGNMGLFDQQLALQWVQKNIAAFGGNPKSVTLFGESAGAASVSLHLLSPGSHSLFTRAILQSGSFNAPWAVTSLYEARNRTLNLAKLTGCSRENETEIIKCLRNKDPQEILLNEAFVVPYGTPLSVNFGPTVDGDFLTDMPDILLELGQFKKTQILVGVN...
2WIJ_3_k12
0
-4.2
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440641
P03474
[C@@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring2][Ring1][Branch1]
O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
LdEdLwTdQqSdRqVfQqKrIdWtVdPhVpDdHpRaPpSpLdPrRdSdCpGpNpSfPaTeVeIeVeMeVaGaLfPpAlRlGcKlTvYlIlSqKlKlLlTcRlYlLcNqWlIlGpVqPaTeKdVeFqNaVlGvEvYlRlRcEvAvVpKvQaYaSdSfYlNvFlFlRaPpDpNpEpEvAsMvKvVvRsKvQvCsAlLvAvAsLlRvDvVvKlScYcLrAvKpEvGnGhQrIyAyVyFyDhAdTnNcTqTaRpEvRsRvHvMvIvLvHvFsAcKvEvNsDvFhKaAyFeFyIeEySrVdCdDdDdPpTvVsVsAlSvNsIcMv...
LELTQSRVQKIWVPVDHRPSLPRSCGNSPTVIVMVGLPARGKTYISKKLTRYLNWIGVPTKVFNVGEYRREAVKQYSSYNFFRPDNEEAMKVRKQCALAALRDVKSYLAKEGGQIAVFDATNTTRERRHMILHFAKENDFKAFFIESVCDDPTVVASNIMEVKISSPDYKDCNSAEAMDDFMKRISCYEASYQPLDPDKCDRDLSLIKVIDVGRRFLVNRVQDHIQSRIVYYLMNIHVQPRTIYLCRHGENEHNLQGRIGGDSGLSSRGKKFASALSKFVEEQNLKDLRVWTSQLKSTIQTAEALRLPYEQWKALNEIDA...
5AJZ_1_k12
1
-7.3
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s560
P07711
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2XU5_1_k12
1
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s623
P16083
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CN(C[C@H]1CNC2=C(N1)C(=O)NC(N)N2)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1
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6F6Z_1_k12
1
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444205
P0DTC2
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7F6Y_1_k12
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78225628
Q3YYB6
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OS(O)(O)CCNC1CCCCC1
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7RGR_1_k12
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93913810
P15379
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CC(C)NC(=O)N(C)[C@@H]1CCS(=O)(=O)C1
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5SBT_3_k12
0
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s759
Q94BT6
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O=C(O)C1C[C@H](O)[C@@H](OS(O)(O)O)CO1
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PNSGTLALLLDEGSKQLPQAIIIGVKKGGTRALLEFLRVHPDVRAVGAEPHFFDRSYDKGLAWYRDLMPRTLDGQITMEKTPSYFVTREAPARISAMSKDTKLIVVVRDPVTRAISDYTQTLSKRPDIPTFESLTFKNRTAGLIDTSWSAIQIGIYAKHLEHWLRHFPIRQMLFVSGERLISDPAGELGRVQDFLGLKRIITDKHFYFNKTKGFPCLKKAEGSSRPHCLGKTKGRTHPEIDREVVRRLREFYRPFNLKFYQMTGHDFGWDG
1T8U_1_k12
2
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1112
Q6DN04
[CH0][=Branch1][C][=OH0][Branch1][Branch1][CH2][CH2][CH1][=OH0][OH0][H]
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2V3O_2_k12
0
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174
Q32ZE1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MLKKKQLTVLDLHPGAGKTRRVLPEIVREAIKKRLRTVILAPTRVVAAEMEEALRGLPVRYMTTAVNVTHSGTEIVDLMCHATFTSRLLQPIRVPNYNLNIMDEAHFTDPSSIAARGYISTRVEMGEAAAIFMTATPPGTRDAFPDSNSPIMDTEVEVPERAWSSGFDWVTDHSGKTVWFVPSVRNGNEIAACLTKAGKRVIQLSRKTFETEFQKTKNQEWDFVITTDISEMGANFKADRVIDSRRCLKPVILDGERVILAGPMPVTHASAAQRRGRIGRNPNKPGDEYMYGGGCAETDEGHAHWLEARMLLDNIYLQDG...
7GA1_1_k12
0
-2.5
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174
Q9I5Q5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6YWK_1_k12
0
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444205
P11838
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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2OBD_2_k12
0
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s172
P04585
[C@@H1][Branch2][Ring2][C][CH2][CH0][=Branch1][C][=OH0][C@@H1][Branch2][Ring1][Ring2][NH0][Branch1][S][CH0][=Branch1][C][=OH0][CH1][CH1][=CH0][Branch1][C][CH3][OH0][NH0][Ring1][=Branch1][H][H][C@@H1][Branch1][C][CH3][CH3][Branch1][=N][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][FH0][CH1][=CH1][Ring1][#Branch1][CH0][Branch2]...
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MGPSLDFALSLLRRNIRQVQTDQGHFTMLGIRDRLAVLPRHSQPGKTIWIEHKLVNVLDAVELVDEQGVDLELTLITLDTNEKFRDITKFIPENISTASDATLVINTEHMPSMFVPVGDVVQYGFLNLSGKPTHRTMMYNFPTKAGQCGGVVTSVGKIIGIHIGGNGRQGFCAGLKRSYFAS
5WQ2_1_k12
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P36639
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4C9W_1_k12
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753
Q92835
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3V8Y_1_k12
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Q01225
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CPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTAEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNPCPLMVKVLDAVRGSPAINVAVHVFRKAADDTWEPFASGKTSESGELHGLTAEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAALLSPYSYSTTAVVTNP
3DO4_1_k12
0
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s743
P95125
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CC1=C(C2=CCNC=C2)NN(C2CC[NH2+]CC2)C(=O)C1
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6G29_1_k12
1
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s482
P9WPP7
[C@H1][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][C@H1][Branch1][P][CH2][CH0][=CH1][CH0][Branch1][C][IH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][=Branch2][NH0][Branch1][C][H][CH0][Ring2][Ring1][N][=OH0]
O=C1N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H]1Cc1ccc(O)c(I)c1
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ATVLLEVPFSARGDRIPDAVAELRTREPIRKVRTITGAEAWLVSSYALCTQVLEDRRFSMKETAAAGAPRLNALTVPPEVVNNMGNIADAGLRKAVMKAITPKAPGLEQFLRDTANSLLDNLITEGAPADLRNDFADPLATALHCKVLGIPQEDGPKLFRSLSIAFMSSADPIPAAKINWDRDIEYMAGILENPNITTGLMGELSRLRKDPAYSHVSDELFATIGVTFFGAGVISTGSFLTTALISLIQRPQLRNLLHEKPELIPAGVEELLRINLSFADGLPRLATADIQVGDVLVRKGELVLVLLEGANFDPEHFPNP...
6RQ8_2_k12
1
-9.1
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445395
P23253
[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][=OH0][Branch1][C][OH1][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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GGLRRRDLPADPLTLFERWLSQACEAKLADPTAMVVATVDEHGQPYQRIVLLKHYDEKGMVFYTNLGSRKAHQIENNPRVSLLFPWHTLERQVMVIGKAERLSTLEVMKYFHSRPRDSQIGAWVSKQSSRISARGILESKFLELKQKFQQGEVPLPSFWGGFRVSLEQIEFWQGGEHRLHDRFLYQRENDAWKIDRLAP
1DNL_1_k12
1
-8.7
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445395
P06820
[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][=CH1][CH0][Bran...
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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MRVITLAGSPRFPSRSSSLLEYAREKLNGLDVEVYHWNLQNFAPEDLLYARFDSPALKTFTEQLQQADGLIVATPVYKAAYSGALKTLLDLLPERALQGKVVLPLATGGTVAHLLAVDYALKPVLSALKAQEILHGVFADDSQVIDYHHRPQFTPNLQTRLDTALETFWQALHMRVITLAGSPRFPSRSSSLLEYAREKLNGLDVEVYHWNLQNFAPEDLLYARFDSPALKTFTEQLQQADGLIVATPVYKAAYSGALKTLLDLLPERALQGKVVLPLATGGTVAHLLAVDYALKPVLSALKAQEILHGVFADDSQVIDY...
4PTZ_1_k12
1
-9.7
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8172
Q59334
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4MPW_1_k12
0
-2.9
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769165
P14273
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5S64_1_k12
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753
P34896
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1FV0_3_k12
0
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284
Q9Z2F5
[CH1][=Branch1][C][=OH0][OH0][H]
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3GA0_1_k12
0
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444205
P00749
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2WU4_3_k12
2
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14389436
P00396
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3X2Q_7_k12
2
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s152
P27487
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CS(=O)(=O)c1ccc2c(c1)NC1C[C@@H](c3cc(F)c(F)cc3F)[C@@H](N)CN21
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3HAB_2_k12
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756
P49187
[CH2][Branch1][Ring1][OH0][H][CH1][=OH0]
O=CCO
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RVARLEKKVSALEKKVALEKEVARLKKLVG
3W93_2_k12
0
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174
Q8NKB0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6DOX_1_k12
0
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753
P14618
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3SRD_1_k12
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753
Q4D3W2
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
MdCfLaKwLdNdLdLpDnHfViFfArNhPqFeMeNaAdAaGpVaLqCaSaTdEpEvDsLvRvCqMrTlApSfSpSgGrAeLyVeShKhSaCaTfSqAaPaRdDqGfNdPdEpPpRaYwMdAdFdPpLfGwSiIwNgSrMrGrLrPgNhLhGhFlDvFvYvLlKcYcAlSqDpLpHdDdYvSvKsKhPaLyFeLySeIySaGyLqSdVlEvErNvVlAvMsVlRlRvLcAqPvVsAcQvEvKrGvVhLaLyEeLyNeLqSqChPhNdVdPpGpKdPhQgVrAlYvDpFlEvAsMvRlTvYsLlQvQsVnScLvAsYnGvLa...
MCLKLNLLDHVFANPFMNAAGVLCSTEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDYSKKPLFLSISGLSVEENVAMVRRLAPVAQEKGVLLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRCPDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTIE
3W71_2_k12
0
-3.6
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517735
P18895
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH1][=CH1][CH2][CH3]
CCC=CCCCCCCC
PdKdNfFkGwLkDkVkKkIkTkGfEkSfEwNfDaRqDaLlGpTpAdPpGhGrTtLdNgDkIiGkImDkLmRkPiWkAgFkGdQdWdGvDqWkSiAkYiFwMiGkQiAwVmAaAmTpDdTpIdEdTpDdTlLqQaNvDqGqRpEdPaDdKnSiYkLiAfAtRqEwFtWwVmDkYgAqGpLpTdApYdPpGqEwHiLwRiFaGtRfQdRaLdRdEdDfSqGlQqWaQaDgThNtIfEgAkLiNkWtSwFdEdTdTqLfLkNtAkHiAwGiVkAtQaRhFdSdErYrRmTpDrLhDpEdLdAqPqEqDrKpDqRkTiHkViFw...
PKNFGLDVKITGESENDRDLGTAPGGTLNDIGIDLRPWAFGQWGDWSAYFMGQAVAATDTIETDTLQNDGREPDKSYLAAREFWVDYAGLTAYPGEHLRFGRQRLREDSGQWQDTNIEALNWSFETTLLNAHAGVAQRFSEYRTDLDELAPEDKDRTHVFGDISTQWAPHHRIGVRIHHADDSGHLRRPGEEVDNLDKTYTGQLTWLGIEATGDAYNYRSSMPLNYWASATWLTGDRDNLTTTTVDDRRIATGKQSGDVNAFGVDLGLRWNIDEQWKAGVGYARGSGGGKDGEEQFQQTGLESNRSNFTGTRSRVHRFGE...
4B61_1_k12
0
-4.5
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174
179402
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
LdTdTlAvDqAlKvKvIlLlNcKvFaNpCpLdDqIeAaPdIdLdKdPpSvEsKlEvSsVnRlRvAsLvIqLvIlTlKvLlSfDdYwQkIkLkGkIfCkAaDqTfApDvElGrLvLlAlMvKvTqYvScHvAsLnGvYhEdVaPdDdLaPdVtVdEgGtPiVkYiIwKmLaNgGgKpNpGgLdCiYhLiDdSdYdApGdHdHgRhGaVmLkViSqCgQhShYpYdEpGvGgIdNgEdMiYgGdHsLhPhLsDvLsFrVd
LTTADAKKILNKFNCLDIAPILKPSEKESVRRALILITKLSDYQILGICADTADEGLLAMKTYSHALGYEVPDLPVVEGPVYIKLNGKNGLCYLDSYAGHHRGVLVSCQSYYEGGINEMYGHLPLDLFV
2Q22_1_k12
0
-2.6
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444205
P29474
[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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Q8ZVK6
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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439353
P08799
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
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RLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYTTTVWNYKLIWIACDRLIHVSRCEMGTSTHRCWPRPCDTSSDEPISFWPPFENTPNVIVSFGMLDVDNSNNLRVNSSADDVTVGGFTLHYNSWYTTTVWNYKLIWIACD
3WMP_4_k12
2
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8189
Q8CM25
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][CH3][CH2][OH0][CH2][CH2][OH0][CH3]
COCCOCCOCCOC
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LRRTGVGEWLATTCQGCTSWCAKQIYVMDGRALKVRGNPNSGVHGMSSCPRQHLSLQQVYDPDRLRTPMMRTNPKKGRDQDPKFVPISWDKALDMLADKIIALRVANEPHKYALLRGRYSHINDLLYKKMTNLIGSPNNISHSSVCAEAHKMGPYYLDGNWGYNQYDVKNAKFILSFGADPIASNRQVSFYSQTWGDSLDHAKVVVVDPRLSASAAKAHKWIPIEPGQDSVLALAIAHVALVEGVWHKPFVGDFIEGKNLFKAGKTVSVESFKETHTYGLVEWWNQALKDYTPEWASKITGIDPKTIIAIAKDMGAAAPA...
6CZ7_1_k12
0
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753
Q4U3Q4
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SMQLNPESADLRALAKHLYDSYIKSFPLTKAKARAILTGKTTDKSPFVIYDMNSLMMGEDKIKFKHITPLQEQSKEVAIRIFQGCQFRSVEAVQEITEYAKSIPGFVNLDLNDQVTLLKYGVHEIIYTMLASLMNKDGVLISEGQGFMTREFLKSLRKPFGDFMEPKFEFAVKFNALELDDSDLAIFIAVIILSGDRPGLLNVKPIEDIQDNLLQALELQLKLNHPESSQLFAKLLQKMTDLRQIVTEHVQLLQVIKKTETDMSLHPLLQEIYKDLY
8ATY_1_k12
0
-2.9
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985
P69912
[CH2][Branch1][N][CH2][CH2][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCCC(=O)O
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EAGYDLLGDGRPETLWLGIGTLLMLIGTFYFLVRGWGVTDKDAREYYAVTILVPGIASAAYLSMFFGIGLTEVTVGGEMLDIYYARYADWLFTTPLLLLDLALLAKVDRVTIGTLVGVDALMIVTGLIGALSHTAIARYSWWLFSTICMIVVLYFLATSLRSAAKERGPEVASTFNTLTALVLVLWTAYPILWIIGTEGAGVVGLGIETLLFMVLDVTAKVGFGFILLRSRAILGDTE
7ZY3_3_k12
0
-4
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753
P14779
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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1ZO4_1_k12
0
-3.1
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174
Q9ULW8
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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MSLQRIVRVSLEHPTSAVCVAGVETLVDIYGSVPEGTEMFEVYGTPGVDIYISPNMERGRERADTRRWRFDATLEIIVVMNSPSNDLNDSHVQISYHSSHEPLPLAYAVLYLTCVDISLDCDLNVDKRQWVWGPSGYGGILLVNCDRDDPSCDVQDNCDQHVHCLQDLEDMSVMVLRTQGPAALFDDHKLVLHTSSYDAKRAQVFHICGPEDVCEAYRHVLGQDKVSYEVPRLHGDEERFFVEGLSFPDAGFTGLISFHVTLLDDSASPIFTDTVVFRVAPWIMTPSTLPPLEVYVCRVRNNTCFVDAVAELARKAGCKL...
7D56_2_k12
0
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s484
Q3TTA7
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8QNI_1_k12
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s988
P00163
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1P84_6_k12
2
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24139
Q9WFX3
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1W1A_2_k12
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P01801
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449473
P22303
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3PCI_1_k12
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s631
P0DP35
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CC1=C(CSCc2cccc([C@H](O)C(F)(F)F)c2)C(N)=C2C(=CC=CC2F)N1
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SELLVNTKSGKVMGTRVPVLSSHISAFLGIPFAEPPVGNMRFRRPEPKKPWSGVWNASTYPNNCQQYVDEQFPGFSGSEMWNPNREMSEDCLYLNIWVPSPRPKSTTVMVWIYGGGFYSGSSTLDVYNGKYLAYTEEVVLVSLSYRVGAFGFLALHGSQEAPGNVGLLDQRMALQWVHDNIQFFGGDPKTVTIFGESAGGASVGMHILSPGSRDLFRRAILQSGSPNCPWASVSVAEGRRRAVELGRNLNCNLNSDEELIHCLREKKPQELIDVEWNVLPFDSIFRFSFVPVIDGEFFPTSLESMLNSGNFKKTQILLGV...
1HBJ_3_k12
1
-10.2
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174
Q9H008
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3HS5_1_k12
0
-3
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s252
P9WP55
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NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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DVQETQKGALKEIQAFIRSRTSYDVLPTSFRLIVFDVTLFVKTSLSLLTLNNIVSAPLWDSEANKFAGLLTMADFVNVIKYYYQSSSFPEAIAEIDKFRLLGLREVERKIGAIPPETIYVHPMHSLMDACLAMSKSRARRIPLIDVDGETGSEMIVSVLTQYRILKFISMNCKETAMLRVPLNQMTIGTWSNLATASMETKVYDVIKMLAEKNISAVPIVNSEGTLLNVYESVDVMHLIQDGDYSNLDLSVGEALLKRPANFDGVHTCRATDRLDGIFDAIKHSRVHRLFVVDENLKLEGILSLADILNYIIYDKTTDNF...
2QR1_1_k12
1
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s230
Q8CM25
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4BFX_1_k12
1
-9
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s409
P84751
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1TYP_2_k12
1
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s299
P07900
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FQSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDMDLATVSALRKMGVKLTPHNKETVQHSDVLFLAVKPHIIPFILDEIGADIEDRHIVVSCAAGVTISSIEKKLSAFRPAPRVIRCMTNTPVVVREGATVYATGTHAQVEDGRLMEQLLSSVGFCTEVEEDLIDAVTGLSGSGPAYAFTALDALADGGVKMGLPRRLAVRLGAQALLGAAKMLLHSEQHPGQLKDNVSSPGGATIHALHVLESGGFRSLLINAVEASCIRTRELQSMADQNLYFQSMSVGFIGAGQLAFALAKGFTAAGVLAAHKIMASSPDM...
8TD6_1_k12
1
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6228
Q9WTV1
[NH0][Branch1][C][CH3][Branch1][C][CH3][CH1][=OH0]
CN(C)C=O
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4ABI_2_k12
0
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s812
P08397
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][CH1][Branch1][=Branch2][NH0][Branch1][C][H][NH0][Ring1][=Branch2][H][CH1][=CH1][CH1][=CH1][Ring1][#Branch2]
NC1=C2C=CC=CC2NN1
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5RV7_1_k12
2
-5.2
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s753
Q9UKK9
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CCN1CC(CNC(=O)C2=CNCC=C2)=CN1
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5QJE_1_k12
2
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174
P29476
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6WE4_2_k12
0
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753
P0ADC3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MNGFERELQNNILGLMPQAILSSEHGSLNPQQLPETAVKLDGVNRVAPITTGDVVLQSARSVAVGVMLGIDPAQKDPLTPYLVNVKQTDLEPGKYNVILGEQLASQLGVNRGDQIRVMVGASQRLFNVIGTFAANSEVDGYEMLVNIEDASRLMRYPAGNITGWRLWLDEPLKVDSLSQQKLPEGSKWQDWRDRKGELFQAVRMEKNMA
6F49_2_k12
0
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408285
P58154
[OH0][CH2][CH2][NH0][Branch1][Branch2][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][Ring1][O]
NCCN1CCOCC1
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STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGA...
7H5C_2_k12
0
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753
O52552
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN
2ZHD_1_k12
0
-3.2
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5757
P03372
[CH1][=CH1][CH0][Branch1][Ring1][OH0][H][=CH1][CH0][=CH0][Ring1][Branch2][C@@H1][C@@H1][Branch1][Branch1][CH2][CH2][Ring1][=Branch1][C@H1][C@][Branch1][C][CH3][Branch1][Branch1][CH2][CH2][Ring1][=Branch2][C@@H1][Branch1][Ring1][OH0][H][CH2][CH2][Ring1][#Branch2]
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O
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LSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLSDLLLEMLDAH
5WGD_1_k12
1
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12389
P02945
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCC
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5H2O_9_k12
0
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78225628
P08179
[CH2][Branch1][=N][NH0][Branch1][C][H][C@@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCNC1CCCCC1
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3TQR_1_k12
0
-3.3
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5CLF_2_k12
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753
D0X4R4
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4GGH_3_k12
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967
P09616
[NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH0][=Branch1][C][=OH0][CH1][=CH0][Ring1][#Branch2][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)c1cc(=O)[nH]c(=O)[nH]1
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ESYNPEFFLYDIFLKFCLKYIDGEICHDLFLLLGKYNILPYDTSNDSIYACTNIKHLDFINPFGVAAGFDKNGVCIDSILKLGFSFIEIGTITPRGQTGNAKPRIFRDVESRSIINSCGFNNMGCDKVTENLILFRKRQEEDKLLSKHIVGVSIGKNKDTVNIVDDLKYCINKIGRYADYIAINVSSPNTPGLRDNQEAGKLKNIILSVKEEIDNLEKNNIMNDEFLWFNTTKKKPLVFVKLAPDLNQEQKKEIADVLLETNIDGMIISNTTTQINDIKSFENKKGGVSGAKLKDISTKFICEMYNYTNKQIPIIASGGI...
7KZ4_1_k12
1
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241
P61823
[CH1][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
c1ccccc1
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MNIFEMLRIDEGLRLKIYKDTEGYYTIGIGHLLTKSPSLNAAKSELDKAIGRNTNGVITKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVAQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYK
227L_2_k12
0
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176
P0AEP7
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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VRSSGILYINIYPIVNYPETIKVSAIPYYEEFLPGKWKKRIGDLIYLYGYGIENEFDEIDNSNALFGKIFRKYLLDILSENIATPWQLKELGSTLRLVKEITENYEFSNIIKLQYELIINVHHWQNTNFGIIVDLKINILDRENNQRISYTKIKDKYGESVKKKIWVSVQAFHRHLTPEGKKYATAMRDKFNLLTGLLKEAFGSSEDEKTFSTPDGEIKIVFKPLEIVEVSNN
8OLJ_3_k12
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O05243
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160478
Q9LSV0
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4EZ3_1_k12
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71606
P84155
[C@H1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][CH2][Ring1][#Branch2]
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3DWR_2_k12
0
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15788093
Q0ZQK6
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4N1O_1_k12
2
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64960
P22303
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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4FLS_2_k12
0
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7419
A0A4P1LYC9
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH1][=CH1][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][Ring1][=N]
Nc1cccc(C(=O)O)c1
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GPPTSDDIFEREYKYGAHNYHPLPVALERGKGIYLWDVEGRKYFDFLSSYSAVNQGHCHPKIVNALKSQVDKLTLTSRAFYNNVLGEYEEYITKLFNYHKVLPMNTGVEAGETACKLARKWGYTVKGIQKYKAKIVFAAGNFWGRTLSAISSSTDPTSYDGFGPFMPGFDIIPYNDLPALERALQDPNVAAFMVEPIQGEAGVVVPDPGYLMGVRELCTRHQVLFIADEIQTGLARTGRWLAVDYENVRPDIVLLGKALSGGLYPVSAVLCDDDIMLTIKPGEHGSTYGGNPLGCRVAIAALEVLEEENLAENADKLGII...
6V8C_2_k12
2
-5.6
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52949690
P03367
[C@@H1][Branch2][Ring2][C][CH2][NH0][Branch2][Ring1][#Branch1][S@@][=Branch1][C][=OH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][CH1][=CH1][Ring1][=Branch2][CH2][C@@H1][Branch1][C][CH3][CH3][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring1][#Branch1][NH0][Branch2][Ring1][C][CH0][=B...
CC(C)CN(C[C@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@H]21)S(=O)(=O)c1ccc(N)cc1
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PQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGVGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNFPQITLWKRPLVTIKIGGQLKEALLDTGADDTVLEEMNLPGRWKPKMIGGVGGFIKVRQYDQILIEICGHKAIGTVLVGPTPVNIIGRNLLTQIGCTLNF
6DH6_1_k12
1
-9.3
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753
P00798
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7LLF_2_k12
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124886
P06126
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73167574
P02766
[OH0][=CH0][Branch2][Ring2][Branch1][NH0][Branch1][C][H][C@@H1][CH2][CH2][NH0][Branch2][Ring1][Branch1][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH0][Ring1][=Branch1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][CH2][CH2][Ring2][Ring1][C][C@H1][Branch2][Ring1][C][CH2][CH0][=CH1][NH0][Branch1][C][H][CH0][=CH...
Cc1ccc2[nH]cc(CN3CCC(NC(=O)[C@@H](N)Cc4c[nH]c5ccccc45)CC3)c2c1
QdMaRdLaPdSdAcDvVqYaRvFlAvEpPdDdSdEpEqNaIwIdFfEdEpNdMeAvGnIdPtIhItKfAwGgTaVpIsKpLlIlEcRvLlTqYpHlMpYdAdDdPvNlFsVlRlTlFcLlTlTaYvRvSvFpCaKaPlQvErLvLlSvLsIlIlEsRqFlEpIgPdEqPdEdPaTdEpAqDqRvIvAqIvEvNvGvDhQhPgLpScAvEnLsKvRcFcRvKvErYpInQlPsVrQnLvRsVsLlNvVsClRqHcWcVcEpHaHvFvYvDsFcEvRvDpAvYvLsLvQvRvMsElEvFsIlGvTpVdRdGdKpAsMcKvKv...
QMRLPSADVYRFAEPDSEENIIFEENMAGIPIIKAGTVIKLIERLTYHMYADPNFVRTFLTTYRSFCKPQELLSLIIERFEIPEPEPTEADRIAIENGDQPLSAELKRFRKEYIQPVQLRVLNVCRHWVEHHFYDFERDAYLLQRMEEFIGTVRGKAMKKWVESITKIIQRKKIAHNITFQSSPPTVEWHISRPGHIETFDLLTLHPIEIARQLTLLESDLYRAVQPSELVGSVWTKEDKEINSPNLLKMIRHTTNLTLWFEKCIVETENLEERVAVVSRIIEILQVFQELNNFNGVLEVVSAMNSSPVYRLDHTFEQIP...
4NYI_1_k12
1
-9
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753
Q22000
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdLlKdAdPdVeVeVeLeGaAqGeLlAlSvVlSlFqVlAlElLlRvQvAlGpYdQdGgLaIyTeVyVeGhDqEaAqEdRqPyYfDhRqPqPcLlSlKpDvFcMlAvHpGpDdArEvKvItRhLdDdCsKpRsArPpErVyEhWyLhLyGnVkThAfQdSaFdDaPlQvAqHqTwVtAaLiSpDvGgRdTiLdPhYgGpTfLyVeLyAaThGaAwAaPfRdAdLdPvTqLaQpGpApTpMaPaVeHaTeLrRdTdLpEvDrAsRvRvIvQsAvGvLlRdPaQaSfReLeLeIeVeGaGqGeVqIsGsLlEsLnAlAlTsAs...
ALKAPVVVLGAGLASVSFVAELRQAGYQGLITVVGDEAERPYDRPPLSKDFMAHGDAEKIRLDCKRAPEVEWLLGVTAQSFDPQAHTVALSDGRTLPYGTLVLATGAAPRALPTLQGATMPVHTLRTLEDARRIQAGLRPQSRLLIVGGGVIGLELAATARTAGVHVSLVCTGPRLMSRAAPATLADFVARYHAAQGVDLRFERSVTGSVDGVVLLDDGTRIAADMVVVGIGVLANDALARAAGLACDDGIFVDAYGRTTCPDVYALGDVTRQRNPLSGRFERIETWSNAQNQGIAVARHLVDPTAPGYAELPWYWSDQG...
4H4R_3_k12
0
-3.4
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311
P00808
[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
KdDvDlFlAvKvLlEcEvQvFfDvAwKdLkGfIkFwAkLaDaTvGfTpNrRdTiVdTtYdRvPqDfEdRkFdAqFqAlTlIvKlAlLlTlVlGlVlLvLlQlQpKdSdIvEvDqLqNqQdRfIdTaYdTaRpDvDlLaVdNdYaNaPpIdTvEvKvHqVnDpTpGgMdTgLlKlEvLlAsDlAcScLfRqYvSvDgNqTsAsQsNvLvIsLqKvQvIqGpGhPqEvSsLsKqKvEvLlRvKvIvGpDqEpVfTaNaPeEdRdFgEpPpEvLsNqEdVdNdPpGpEdTrQhDnTmSgTgAfRnAsLsAlTvSsLsQcAcFr...
KDDFAKLEEQFDAKLGIFALDTGTNRTVTYRPDERFAFATIKALTVGVLLQQKSIEDLNQRITYTRDDLVNYNPITEKHVDTGMTLKELADASLRYSDNTAQNLILKQIGGPESLKKELRKIGDEVTNPERFEPELNEVNPGETQDTSTARALATSLQAFALEDKLPSEKRELLIDWMKRNTTGDALIRAGVPEGWEVADKTGAGSYGTRNDIAIIWPPKGDPVVLAVLSSRDKKDAKYDDKLIAEATKVVVKALN
2Y91_3_k12
0
-4
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s1068
Q9H9B1
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3RQX_1_k12
2
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151809
P00883
[OH0][Branch1][#Branch2][P@@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][CH2][CH2][CH2][OH0][H]
O=P(O)(O)OCCCO
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2QUU_1_k12
2
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753
Q57IS0
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5Y8O_3_k12
0
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s76
P17900
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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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SNIAQYKVIDHAYDVVIIGAGGAGLRAAMGLGEAGFKTAVVTKMFPTRSHTTAAQGGINAALGSMNPDDWKWHFYDTVKGSDWLGDQNAMHYLTRNAVEAVTELENFGMPFSRTPEGKIYQRSFGGQSNNYGKGGVAKRTCCVADRTGHSMLHTLYGNSLRCHCTFFIEYFALDLLMDKGRCVGVIALCLEDGTIHRFRSKRTIVATGGYGRAYFSCTTAHMNTGDGTALATRAGIALEDLEFIQFHPTGIYGVGCLITEGSRGEGGFLVNSEGERFMERYAPKAKDLASRDVVSRAETIEIMEGRGVGPEKDHIYLQLH...
4YT0_1_k12
1
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174
Q9NUW8
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6N17_1_k12
0
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