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
284
A9L591
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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ENLYFQGMQRTGELPAEHVPVILESSGAGDFHLIDSGNGLKLEQYGDYRVVRPEAQALWRPLVPDRVWQNADAIFTGDTGMGRWRFPKEALGETWPLSLLGVEFLGRFTAFRHVGVFPEQIVHWEWLKNAVETADRPLKVLNLFGYTGVASLVAAAAGAEVTHVDASKKAIGWAKENQVLAGLEQAPIRWICEDAMKFIQREERRGSTYDIILTDPPKFGRGTHGEVWQLFDHLPLMLDICREILSPKALGLVLTAYSIRASFYSMHELMRETMRGAGGVVASGELVIREAGLDGKTPGRVLSTSLFSRWEPK
2IGT_2_k12
0
-2.6
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174
P05364
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6SZM_1_k12
0
-2.8
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445184
P65153
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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4P9H_4_k12
0
-4.4
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679
P00338
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5RZ0_2_k12
0
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s99
A1D1Z9
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8CB0_4_k12
1
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753
P15693
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4KJD_1_k12
0
-3.5
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s59
P20586
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6KDS_1_k12
1
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s672
P0C6U8
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8BSN_1_k12
1
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7057988
P05024
[OH0][C@@H1][Branch1][C][CH3][CH2][CH2][CH0][Ring1][=Branch1][=OH0]
C[C@H]1CCC(=O)O1
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LTCVKSKSIFGVTTEDCPDGQNLCFKRRHYIVPKMYDSTRGCAATCPIAENRDVIHCCGTDKCNE
5MG9_3_k12
0
-3
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14257
P97438
[CH2][Branch1][=Branch1][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCC
SdDvSvAvIvNvVvMvKvWvKvTvVvSvTvIvFvLvVvVvVvLvYvLvIvIvGvAvTvVvFvKcAvLvEvQvPvQvEvIvSvQvRvTvTvIvVvIvQvRvEvKvFvLcRvAvHcPvCvVdSdDpQvEvLvDvEvLvIvQvQvIvVvAvAvIqNvApGpSvHcWdDdLpGcSnSvFvFvFvAlGvTcVqIqTvTlIlGcFlGpNsIdSdPdRdTdEpGvGsKvIvFvCsIvIvYsAnLvLpGsIvPvLvFvGvFvLlLlAvGvVlGlDvQvLvGvTvIvFvGvKvGvIvAvKvVvEvDvTvFvIdKvWdNpVdShQpTpKc...
SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQREKFLRAHPCVSDQELDELIQQIVAAINAGSHWDLGSSFFFAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAEWTANVSDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRT...
6W8A_1_k12
0
-4.2
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174
P09546
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4W7R_2_k12
0
-2.6
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174
P62943
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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PRLQRELERLQAALRQTEAREIEWREKAQDLALSLAQTKASVSSLQEVAMFLQASVLERDSEQQRLQDELELTRRALEKERLH
6OQA_4_k12
0
-2.4
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21624920
Q38946
[C@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
O=C(O)CCC(O)(O)C(=O)O
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AMNALAATNRNFRHASRILGLDSKIERSLMIPFREIKVECTIPKDDGTLVSYIGFRVQHDNARGPMKGGIRYHPEVDPDEVNALAQLMTWKTAVADIPYGGAKGGIGCSPRDLSLSELERLTRVFTQKIHDLIGIHTDVPAPDMGTNAQTMAWILDEYSKFHGHSPAVVTGKPIDLGGSLGREAATGRGVVFATEALLAEYGKSIQGLTFVIQGFGNVGTWAAKLIHEKGGKVVAVSDITGAIRNPEGIDINALIKHKDATGSLNDFNGGDAMNSDELLIHECDVLIPCALGGVLNKENAGDVKAKFIVEAANHPTDPDA...
8OWM_4_k12
2
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8117
O69762
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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6G86_1_k12
0
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702
P42556
[CH2][Branch1][C][CH3][OH0][H]
CCO
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1OUT_1_k12
0
-2.2
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753
P95125
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6KF7_4_k12
0
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445318
Q63707
[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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1UUM_3_k12
0
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78410906
Q86X55
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COC1=C(OC)C(=O)C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)=C(C)C1=O
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1S00_1_k12
1
-9.6
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867
P40337
[CH2][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][=Branch1][C][=OH0][OH0][H]
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8BDT_1_k12
0
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s597
P55915
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5Z5P_1_k12
2
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439709
Q6DPU3
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OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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8RFW_1_k12
0
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s648
Q9BQB6
[C@@H1][Branch2][Ring1][C][C@@H1][Branch1][#Branch1][CH2][CH0][Branch1][C][CH3][=OH0][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][C@@H1][Branch1][Ring1][OH0][H][CH0][=CH1][CH1][=CH1][CH1][=CH0][Ring1][=Branch1][OH0][CH0][Ring2][Ring1][#Branch1][=OH0]
CC(=O)C[C@@H](c1ccccc1)[C@H]1C(=O)Oc2ccccc2[C@@H]1O
KdGlEvEvLlFqTqGdVkVaPkIaLwVeEkLeDwGeDaVaNaGnHdKtFwSiVkRiGkEiGfEiGaDhAlTcNqGqKkLtTwLmKkFmIfCtTpTvGfKaLdPqVwPaWpPvTvLcVpTvTvLrVaQcClFsSaRhYePdDpHvMfKvRlHqDrFqFqKsSqAlMpPqElGfYwVkQkEwRkTwIkSdFwKvDvDaGkTiYkKtTkRiAwEtVfKhFdEdGpDrThLtVyNiRyImEyLiKyGiIdDgFgKdEcDcGdNcItLsGvHvKqLfEdYdNfSdTfWfGaSaPlGfWvVvRlLvAvLlClLvTlGlLlVvLlSl...
KGEELFTGVVPILVELDGDVNGHKFSVRGEGEGDATNGKLTLKFICTTGKLPVPWPTLVTTLVQCFSRYPDHMKRHDFFKSAMPEGYVQERTISFKDDGTYKTRAEVKFEGDTLVNRIELKGIDFKEDGNILGHKLEYNSTWGSPGWVRLALCLTGLVLSLYALHVKAARARDRDYRALCDVGTAISCSRVFSSRWGRGFGLVEHVLGQDSILNQSNSIFGCIFYTLQLLLGCLRTRWASVLMLLSSLVSLAGSVYLAWILFFVLYDFCIVCITTYAINVSLMWLSFRKVQENSHNVYITADKQKNGIKANFKIRHNVED...
6WV3_1_k12
1
-11.2
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71113
Q5RBG1
[C@@H1][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH3]
CCCC(CCC)C(N)=O
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1NU3_1_k12
2
-5.6
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11978
Q6E7K9
[CH3][CH0][=CH1][CH1][=CH0][NH0][Branch1][C][H][CH1][=CH1][CH0][Ring1][=Branch1][=CH1][Ring1][#Branch2]
Cc1ccc2[nH]ccc2c1
AdTdIkGaRfIaSaTqGaSaKpSlLvDcKvLqLvGvGrGhIfEiTfQlAfIeTeEeVeFeGeEaFpGpSlGqKqTvQlLsAvHlTlLrAlVqMrVqQcLdPpPvEvEsGrGhLvNvGaSaVeMeWeIeDaTaEdNpTpFdRdPlEvRlInRlElIlAqQvNvRvGpLhDhPsDvEvVsLsKvHrIyAhYyAdRyAqFpNaSlNvHsQvMlLvLvVlQvQvAvEvDvMqIqKvEvLcLqNpTpDsRhPhVhKaLeLyIeVyDeSaLlTcSpHrFlRvSvEpYqIdGdRdGpAsLvAvEvRsQvQvKsLsAlKvHsLlAvDs...
ATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQLPPEEGGLNGSVMWIDTENTFRPERIREIAQNRGLDPDEVLKHIAYARAFNSNHQMLLVQQAEDMIKELLNTDRPVKLLIVDSLTSHFRSEYIGRGALAERQQKLAKHLADLHRLANLYDIAVFVTNQVSATLRVYLRKGKGGKRIARLIDEGEAVFSITEKGIED
4B3D_1_k12
2
-5.4
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753
P95629
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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TTIAFLGLGNMGAPMSANLVGAGHVVRGFDPAPTAASGAAAHGVAVFRSAPEAVAEADVVITMLPTGEVVRRCYTDVLAAARPATLFIDSSTISVTDAREVHALAESHGMLQLDAPVSGGVKGAAAATLAFMVGGDESTLRRARPVLEPMAGKIIHCGAAGAGQAAKVCNNMVLAVQQIAIAEAFVLAEKLGLSAQSLFDVITGATGNCWAVHTNCPVPGPVPTSPANNDFKPGFSTALMNKDLGLAMDAVAATGATAPLGSHAADIYAKFAADHADLDFSAVIHTLRAR
5Y8N_2_k12
0
-2.8
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446996
P17931
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
PdLdIdVpPqYdNkLdPwLaPaGlGfVdVdPaRqMkLkIkTkIwLkGwTaVfKaPaNpAwNaRkIkAwLkDfFqQdRlGvNpDkVgAfFwHiFwNmPwRgFcNcEdNpNnRaRtVkIiVwCiNfTiKaLdDpNnNrWtGdRdEiEdRiQfSrVdFhPpFhEdShGgKgPiFkKmIwQmVwLgVdEhPqDfHwFtKwViAdVmNpDpAhHtLgLdQtYdNgHgRpVdKnKsLrNsEsIsStKmLiGtIiShGtDrIiDgLtTdSdAiSdYmTdMgId
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
6B8K_1_k12
0
-4.2
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15600
Q9ESU6
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCC
IdTvGvRdPlElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKvGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAsFnTvMlYsLvScMvLnLvGpYnGqLwTdMfVaPaFaGpGnEdQtNfPiIdYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLvLlVlDvAhDdQpGvTvIsLvAlLlVnGvAlDsGnIlMlIsGvTlGlLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFpFvGpFrTlSvKsAlEvSpMd...
ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
5B6Y_3_k12
0
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753
P26368
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6ARB_1_k12
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8200
Q12208
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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6PGL_2_k12
0
-3.3
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17654
Q6P9V9
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COc1ccc2c(CCN)c[nH]c2c1
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7BS5_1_k12
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753
P9WIL5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7MYP_1_k12
0
-3.2
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439709
A0A649V088
[C@@][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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QTSAVQQKLAALEKSSGGRLGVALIDTADNTQVLYRGDERFPMCSTSKVMAAAAVLKQSETQKQLLNQPVEIKPADLVNYNPIAEKHVNGTMTLAELSAAALQYSDNTAMNKLIAQLGGPGGVTAFARAIGDETFRLDRTEPTLNTAIPGDPRDTTTPRAMAQTLRQLTLGHALGETQRAQLVTWLKGNTTGAASIRAGLPTSWTAGDKTGSGDYGTTNDIAVIWPQGRAPLVLVTYFTQPQQNAESRRDVLASAARIIAEGL
1YLJ_2_k12
0
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444205
P01889
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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1X70_1_k12
0
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s578
P58724
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4JVB_1_k12
1
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24762202
P30376
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5XGA_2_k12
1
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445184
O15382
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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4YN3_2_k12
0
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447053
Q5P603
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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4RCO_3_k12
0
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49835969
P46881
[NH0][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH0][Ring1][#Branch1][CH3][CH1][=CH0][Branch1][#Branch2][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=OH0][CH1][=CH1][CH0][Ring2][Ring1][Ring2][=OH0]
Cc1ccc(Cn2cc(C(N)=O)ccc2=O)c(C)c1
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4UCU_2_k12
1
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444205
P01857
[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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3RY6_6_k12
0
-3.7
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78225628
P29274
[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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VNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAV...
6VXS_1_k12
0
-4.8
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s24
P38585
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NC(=O)c1c(NC(=O)CN2NC(C(F)(F)F)C3=C2CCCC3)sc2c1CCCC2
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NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYKLTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDFSKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKIAVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQRKPCDTMKVGGNLDSKGYGIATPKGSSLGTPVNLAVLKLSEQGVLDKLKNKWWYDKGECG
3O28_4_k12
2
-6.6
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679
Q9I6D1
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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DAFVGTWKLVSSENFDDYMKELGVGFATRKMGGMAKPNCIISVNGDVITIKTESTLKNTEISFILGQEFDEVTADDRKVKSTITLDGGVLVQVQKWDGKSTTIKRKREDDKLVVECVMKGVTCTRVYERA
7FWX_2_k12
0
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s25
O15496
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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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NRPNRLIVDEAINEDNSVVSLSQPKMDELQLFRGDTVLLKGKKRREAVCIVLSDDTCSDEKIRMNRVVRNNLRVRLGDVISIQPCPDVKYGKRIHVLPIDDTVEGITGNLFEVYLKPYFLEAYRPIRKGDIFLVRGGMRAVEFKVVETDPSPYCIVAPDTVIHCEGEPIKREDEEESLNEVGYDDIGGCRKQLAQIKEMVELPLRHPALFKAIGVKPPRGILLYGPPGTGKTLIARAVANETGAFFFLINGPEIMSKLAGESESNLRKAFEEAEKNAPAIIFIDELDAIAPKREKTHGEVERRIVSQLLTLMDGLKQRAH...
3CF1_1_k12
1
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90655273
Q6P179
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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RECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFNTFFSETGAGKHVPRAVFVDLEPTVIDEVRTGTYRQLFHPEQLITGKEDAANNYARGHYTIGKEIIDLVLDRIRKLADQCTGLQGFLVFHSFGGGTGSGFTSLLMERLSVDYGKKSKLEFSIYPAPQVSTAVVEPYNSILTTHTTLEHSDCAFMVDNEAIYDICRRNLDIERPTYTNLNRLISQIVSSITASLRFDLNVDLTEFQTNLVPYPRIHFPLATYAPVISAEHEQLSVAEITNACFEPANQMVKCDPRHGKYMACCLLYRGDVVPK...
6LS4_2_k12
2
-5.3
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8117
Q9RME2
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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2BI5_3_k12
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679
P24941
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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5RXY_1_k12
0
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753
Q0CRX0
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6RHG_2_k12
0
-2.8
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s1013
P31129
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Branch1][Ring1][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][Branch1][NH0][CH2][CH0][Branch1][O][CH1][Branch1][=Branch1][NH0][Branch1][C][H][H][OH0][H][=CH...
NC1=C2NCN([C@@H]3O[C@H](CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]4O[C@@H](N5C=CC=C(C(N)O)C5)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3OP(=O)(O)O)C2NCN1
MdNfYeVeIeIeGaGaDeAqAlGrMvSlAlAvMvQlIqVlRvNpDdEvNpAyNaVyVeTyLeEeKqGaEqIaYhSyYfAdQlCvGcLlPlYvVvIlSlGvAvIdApSaTrEvKvLgIhApRdNgVpKvTcFcRcDpKvYrGvIhDnAyKdVhRqHwEaVfTqKaVaDdTlEvKqKqIwVtYwAtEaHrTnKpTvKrDdViFdEiFdShYgDpRfLyLeIyAeThGaVkRdPaVdMdPdEpWaEaGaRsDpLaQqGqVeHaLeLrKdTdIrPvDrAsEvRsInLvKvTlLvEvTpNpKpVfEaDeVeTeIeIeGaGqGeAf...
MNYVIIGGDAAGMSAAMQIVRNDENANVVTLEKGEIYSYAQCGLPYVISGAIASTEKLIARNVKTFRDKYGIDAKVRHEVTKVDTEKKIVYAEHTKTKDVFEFSYDRLLIATGVRPVMPEWEGRDLQGVHLLKTIPDAERILKTLETNKVEDVTIIGGGAIGLEMAETFVELGKKVRMIERNDHIGTIYDGDMAEYIYKEADKHHIEILTNENVKAFKGNERVEAVETDKGTYKADLVLVSVGVKPNTDFLEGTNIRTNHKGAIEVNAYMQTNVQDVYAAGDCATHYHVIKEIHDHIPIGTTANKQGRLAGLNMLDKRRA...
3CGE_3_k12
1
-9.4
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s810
Q6NXH2
[OH0][CH2][CH2][C@@][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][Branch2][Ring1][=N][CH0][Branch2][Ring1][Branch2][NH0][Branch1][C][H][CH0][=CH0][CH0][=Branch1][=Branch2][=CH1][NH0][Branch1][C][H][CH2][Ring1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][#Branch2][=OH0][CH0][=CH0][Ring2][Ring1][=Branch2][CH1][=CH1][CH0][Br...
NC[C@@]1(C(=O)NC2=c3ccccc3=CNC2)CCOc2ccc(Cl)cc21
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLaNpPpNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQaAdGpNhVdQtLwRrVfIpGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMqRfPnNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GGX_2_k12
1
-8.4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
174
P15207
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
NdIkWdWkQdTwKaGaQdGaNpVaHeLeVeLeLaHeGaWaGlLfNaAqEvVlWcRpClIfDvEvEvLvSnSpHhFhTrLyHmLgVtDgLfPqGlFgGfRpSnRnGpFdGfAfLdSaLlAlDvMsAlEvAvVvLvQvQpAdPdDqKaAhIaWyLeGaWaSaLlGgGlLsVsAlSvQsIcAcLlTpHpPvEsRrVhRqAaLrVeTyVaAlSySdPlCaFqSdAdRdDdEvWrPdGhIhKdPlDvVvLlAvGvFlQlQvQcLcSvDvDpQvQvRvTsVsElRvFvLqAlLlQfTfMpGdTfEpTcAsRvQvDvAsRvAsLrKv...
NIWWQTKGQGNVHLVLLHGWGLNAEVWRCIDEELSSHFTLHLVDLPGFGRSRGFGALSLADMAEAVLQQAPDKAIWLGWSLGGLVASQIALTHPERVRALVTVASSPCFSARDEWPGIKPDVLAGFQQQLSDDQQRTVERFLALQTMGTETARQDARALKKTVLALPMPEVDVLNGGLEILKTVDLRQPLQNVSMPFLRLYGYLDGLVPRKVVPMLDKLWPHSESYIFAKAAHAPFISHPAEFCHLLVALKQRVGS
1M33_2_k12
0
-2.4
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679
Q0CC84
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7Q2F_2_k12
0
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8141
P02768
[CH2][Branch1][Branch1][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCCC
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3CX9_1_k12
2
-5.8
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42627697
Q6NSJ0
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4JYD_2_k12
2
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64689
P0AEX9
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OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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4RG5_1_k12
2
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s1
P31224
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6ZO8_7_k12
2
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444205
O94315
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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1N1F_1_k12
0
-3.3
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8117
P31947
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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MVILGVGYFLLGLILLYYGSDWFVLGSERIARHFNVSNFVIGATVMAIGTSLPEILTSAYASYMHAPGISIGNAIGSCICNIGLVLGLSAIISPIIVDKNLQKNILVYLLFVIFAAVIGIDGFSWIDGVVLLILFIIYLRWTVKNGSAKNNPSVVFSLVLLIIGLIGVLVGAELFVDGAKKIALALDISDKVIGFTLVAFGTSLPELMVSLAAAKRNLGGMVLGNVIGSNIADIGGALAVGSLFMHLPAENVQMAVLVIMSLLLYLFAKYSKIGRWQGILFLALYIIAIASLRM
5HWX_2_k12
0
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s344
P51110
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ETVCVTGASGFIGSWLVMRLLERGYTVRATVRDPTNVKKVKHLLDLPKAETHLTLWKADLADEGSFDEAIKGCTGVFHVATPMKDPENEVIKPTIEGMLGIMKSCAAAKTVRRLVFTSSAGTVNIQEHQLPVYDESCWSDMEFCRAKKMTAWMYFVSKTLAEQAAWKYAKENNIDFITIIPTLVVGPFIMSSMPPSLITALSPITGNEAHYSIIRQGQFVHLDDLCNAHIYLFENPKAEGRYICSSHDCIILDLAKMLREKYPEYNIPTEFKGVDENLKSVCFSSKKLTDLGFEFKYSLEDMFTGAVDTCRAKGLLPPSH
3C1T_2_k12
1
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A3D8P6
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OCC(O)CO
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5288845
Q5R4K9
[CH3][C@@][Branch1][C][CH3][Branch1][Ring1][OH0][H][CH2][C@@H1][Branch1][C][CH3][OH0][H]
C[C@@H](O)CC(C)(C)O
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3SH1_3_k12
0
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8117
Q8Y8D7
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
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174
Q8NXH0
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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8D8S_1_k12
0
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8209
P0C559
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCO
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6IWH_1_k12
2
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s707
P08709
[CH0][Branch1][N][CH0][=CH0][Branch1][Ring1][CH2][CH3][CH1][=CH1][SH0][Ring1][#Branch1][=CH1][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Branch1][P][C@H1][CH2][CH2][C@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH2][CH2][Ring1][#Branch2][NH0][Ring2][Ring1][O][H]
CCc1ccsc1C1=CNC(N)=C([C@H]2CC[C@H](C(=O)O)CC2)N1
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2XK3_1_k12
1
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11963566
Q9JLA3
[CH2][Branch2][Ring1][Ring2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][OH0][CH2][CH2][OH0][CH2][CH2][CH2][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCCCCCCCCCCCOCCOCCOCCOCCOCCCCCOCCOCCO
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VNKIYIENHDLMSKVPVIEASKESTRDDWAALTVVADLDDIEGQELVYYALRFRKSNDGVRLDIVHNPKDTSRSPSVLAQRLKSREDKLLDFTRFLDLETALETGEFEPDVAYDASLANFLASSNMKAGDNFVILNGRVLGPITS
3WZS_1_k12
0
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176
P00760
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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AMIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP
4FW6_3_k12
0
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s626
P9WNM5
[C@@H1][Branch2][Ring1][=Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][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][...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)OS(O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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PPRGKTVWFTGLSGSGKSSVAMLVERKLLEKGISAYVLDGDNLRHGLNADLGFSMADRAENLRRLSHVATLLADCGHLVLVPAISPLAEHRALARKVHADAGIDFFEVFCDTPLQDCERRDPKGLYAKARAGEITHFTGIDSPYQRPKNPDLRLTPDRSIDEQAQEVIDLLES
4BZX_3_k12
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753
P0AEX9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6GPK_4_k12
0
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12388
Q32ZE1
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCC
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MVYEAITAGGFGSQPFILAYIITAMISGLLFLYLPRKLDVPQKFGIIHFFIVVWSGLMYTNFLNQSFLSDYAWYMDWMVSTPLILLALGLTAFHGADTKRYDLLGALLGAEFTLVITGLLAQAQGSITPYYVGVLLLLGVVYLLAKPFREIAEESSDGLARAYKILAGYIGIFFLSYPTVWYISGIDALPGSLNILDPTQTSIALVVLPFFCKQVYGFLDMYLIHKAELEHHMVYEAITAGGFGSQPFILAYIITAMISGLLFLYLPRKLDVPQKFGIIHFFIVVWSGLMYTNFLNQSFLSDYAWYMDWMVSTPLILLAL...
6EYU_1_k12
2
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284
Q9H7Z6
[CH1][=Branch1][C][=OH0][OH0][H]
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4HGN_1_k12
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753
O25608
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6SMT_6_k12
0
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445395
501449
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2YIZ_3_k12
1
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444205
C5D427
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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DLRLHLLLNTSVTCNDGSPAGYYLKESRGSRRWLLFLEGGWYCFNRENCDSRYDTMRRLMSSRDWPRTRTGTGILSSQPEENPYWWNANMVFIPYCSSDVWSGASSKSEKNEYAFMGALIIQEVVRELLGRGLSGAKVLLLAGSSAGGTGVLLNVDRVAEQLEKLGYPAIQVRGLADSGWFLDNKQYRHTDCVDTITCAPTEAIRRGIRYWNGVVPERCRRQFQEGEEWNCFFGYKVYPTLRSPVFVVQWLFDEAQLTVDNVHPVQEGLRLYIQNLGRELRHTLKDVPASFAPACLSHEIIIRSHWTDVQVKGTSLPRAL...
7B8C_4_k12
0
-4
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284
Q12BV1
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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5X99_1_k12
0
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8172
Q9HCN6
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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5OU8_1_k12
0
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s590
Q64BR7
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][#C][=CH0][Ring1][Branch2][NH0][Branch1][C][H][CH2][CH2][CH1][Branch1][C][CH3][CH3][NH0][Branch1][C][H][CH2][NH0][Ring1][=C][H]
CC(C)CCNC1=C2NCNC2NCN1
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RPWPASLAALALDGKLRTDSNATAAASTDFGNITSALPAAVLYPSSTADLVALLSAANSTPGWPYTIAFRGRGHSLMGQAFAPGGVVVNMASLGDAAAPPRINVSADGRYVDAGGEQVWIDVLRASLARGVAPRSWTDYLYLTVGGTLSNAGISGQAFRHGPQISNVLEMDVITGHGEMVTCSKQLNADLFDAVLGGLGQFGVITRARIAVEPAPARARWVRLVYTDFAAFSADQERLTAPRPASFGPMSYVEGSVFVNQSLATDLANTGFFTDADVARIVALAGERNATTVYSIEATLNYDNATAAAAAVDQELASVLG...
3S1E_3_k12
2
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s675
P00782
[OH0][=S@][=Branch1][C][=OH0][Branch2][Ring1][Ring1][NH0][CH0][=CH0][Branch1][#Branch1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH2][Ring1][#Branch2][CH0][=CH0][Branch1][C][ClH0][CH1][=CH1][CH0][Branch1][C][ClH0][=CH1][Ring1][Branch2]
O=S(=O)(c1cc(Cl)ccc1Cl)N1CNc2ccccc21
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7WVK_3_k12
2
-6.8
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174
P26664
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6QYA_2_k12
0
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8200
P28720
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCO
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SQPSTANGGFPSVVVTAVTATTSISPDIESTWKGLLAGESGIHALEDEFVTKWDLAVKIGGHLKDPVDSHMGRLDMRRMSYVQRMGKLLGGQLWESAGSPEVDPDRFAVVVGTGLGGAERIVESYDLMNAGGPRKVSPLAVQMIMPNGAAAVIGLQLGARAGVMTPVSAQSSGSEAIAHAWRQIVMGDADVAVCGGVEGPIEALPIAAFSMMRAMSTRNDEPERASRPFDKDRDGFVFGEAGALMLIETEEHAKARGAKPLARLLGAGITSDAFHMVAPAADGVRAGRAMTRSLELAGLSPADIDHVNAHGTATPIGDAA...
2WGF_1_k12
0
-4
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1567
P06820
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
OCCS
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YRTRSLGVAAEGLPDQYADGEAARVWQLYIGDTRSRTAEYKAWLLGLLRQHGCQRVLDVACGTGVDSIMLVEEGFSVTSVDASDKMLKYALKERWNRRHEPAFDKWVIEEANWMTLDKDVPQEGGFDAVICLGNSFAHLPDCKGDQSEHRLALKNIASMVRAGGLLVIDNRNYDHILSTGCAPPGKNIYYKSDLTKDVTTSVLIVNNKAHMVTLDYTVQGLSKFRLSYYPHCLASFTELLQAAFGGKCQHSVLGDFKPYKPGQTYIPCYFIHVLKRT
2AZT_1_k12
0
-2.8
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s687
P78356
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O=C1NCNC2=C1NCN2[C@@H]1O[C@@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
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VKLFRASEPILSVLMWGVNHTINELSNVPVPVMLMPDDFKAYSKIKVDNHLFNKENLPSRFKFKEYCPMVFRNLRERFGIDDQDYQNSVTRSAPINRFLTTYDRRFVIKTVSSEDVAEMHNILKKYHQFIVECHGNTLLPQFLGMYRLTVDGVETYMVVTRNVLSHRLTVHRKYDLKGSTVAREASDKEKAKDLPTFKDNDFLNEGQKLHVGEESKKNFLEKLKRDVEFLAQLKIMDYSLLVGIHDVDRAEQEEMEVEERAGPGEFDPSVDVYAMKSHESSPKKEVYFMAIIDILTVNPEQYSKRFNEFMSNILT
7EM4_1_k12
1
-7.1
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8117
P22629
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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AGITGTWYAQLGDTFIVTAGADGALTGTYEAAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVK
5TO2_1_k12
0
-4
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679
P9WKZ3
[OH0][=S@][Branch1][C][CH3][CH3]
CS(C)=O
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NLDIIGKRIEKIKQEHETSWHYDQDHPYKTWAYHGSYETKQTASSMVNGVVRLLTKPWDIIPMVTQMAMTFKEKVDTRTQEPKEGTKKLMKITAEWLWKELGKKKTPRMCTREEFTRKVRSNAALGAIFNKWKSAREAVEDSGFWELVDKERNLHLEGKCETCVYNMMSRAIWYMWLGARFLEFEALGFLNEDHWFSRENSLSGVEGEGLHKLGYILRDVSKKEGGAMYADDTAGWDTRITLEDLKNEEMVTNHMEGEHKKLAEAIFKLTYQNKVVRVQRPTTVMDIISRRDQRGSGQVVTYGLNTFTNMEAQLIRQMEG...
7HL1_1_k12
0
-2.5
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439357
P95629
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1567
P09382
[CH2][Branch1][Ring1][OH0][H][CH2][SH0][H]
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1GZW_1_k12
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s655
P09546
[CH2][Branch1][N][NH0][CH2][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1][CH2][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCNCC1
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2J3U_3_k12
0
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73441656
O15394
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH0][Branch1][Branch1][CH2][CH2][OH0][H][=CH1][C@][Ring1][=C][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)[C@]1(O)C=C(CCO)[C@@H](O)[C@H](O)C1
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LIVNVINGPNLGRLGRREPAVYGGTTHDELVALIEREAAELGLKAVVRQSDSEAQLLDWIHQAADAAEPVILNAGGLTHTSVALRDACAELSAPLIEVHISNVHAREEFRRHSYLSPIATGVIVGLGIQGYLLALRYLAEH
4CIW_1_k12
1
-7.8
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8172
P00698
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4FA9_3_k12
0
-2.8
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446996
P14769
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][#C]
OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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KLKLSDWFNPFKRPEVVTMTKWKAPVVWEGTYNRAVLDNYYAKQKITVGLTVFAVGRYIEHYLEEFLTSANKHFMVGHPVIFYIMVDDVSRMPLIELGPLRSFKVFKIKPEKRWQDISMMRMKTIGEHIVAHIQHEVDFLFCMDVDQVFQDKFGVETLGESVAQLQAWWYKADPNDFTYERRKESAAYIPFGEGDFYYHAAIFGGTPTQVLNITQECFKGILKDKKNDIEAQWHDESHLNKYFLLNKPTKILSPEYCWDYHIGLPADIKLVKMSWQTKEYNVVRNNV
1GX4_2_k12
2
-5.6
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61503
Q11CV9
[C@@H1][Branch1][C][CH3][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
C[C@@H](O)C(=O)O
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4ND3_3_k12
0
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s2
O29689
[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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4EB7_3_k12
0
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4369515
P0A2K1
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CC(C)=CCCC(C)=CCS[P@@](=O)(O)OP(=O)(O)O
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8DAZ_1_k12
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Q5U7L7
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EYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNR
8HXW_1_k12
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28125466
P9WJJ3
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3DLA_3_k12
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Q92Z29
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1RHY_1_k12
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s45
P00489
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