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
54294271
P11938
[CH2][Branch2][Ring1][C][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][CH2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][CH2][CH2][CH2][CH1][=CH1][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCC=CCCCCCCCC(=O)OC[C@H](O)CO
AdTdTwLdTaLpQvQlFlSvTlVlYlNvMlLlSvFvAlVlAvSlMlLvGvAlFlAvFcFlVvMvGlRlKlIqVfGfPpKqYlRnLvAlLsVvVlSlSnLvVlVsLvIlAvGnYvHlYsWvRvIlMsGvSlWsTvAqAqYwAdLdKdDpGnMiYtVhPgTdGpErPdFrNcDpAcYsRvYlVvDsWqLlLpTnVvPlLsLlLlTvEsLvVlLsVlMdKdLdKdKpEcSsGvSvVvLsAvKlLlInLvAlAsInAlMlIsAvLlGqYsPqGlEvIpSdNdPlEpSpQgAvGpAsRnLvMvWsGlVvLsSsTcVvPsFvLvYv...
ATTLTLQQFSTVYNMLSFAVASMLGAFAFFVMGRKIVGPKYRLALVVSSLVVLIAGYHYWRIMGSWTAAYALKDGMYVPTGEPFNDAYRYVDWLLTVPLLLTELVLVMKLKKESGSVLAKLILAAIAMIALGYPGEISNPESQAGARLMWGVLSTVPFLYILYVLWVRLGDAIGEHPAKVQVLLKNTRYLILLTWGFYPIVYAMGSYLGGAGSVVAVQVGYSIADVTAKALYGVMIFAIAYAKSEADGSLPASATTLTLQQFSTVYNMLSFAVASMLGAFAFFVMGRKIVGPKYRLALVVSSLVVLIAGYHYWRIMGSWT...
7YTB_1_k12
2
-6.2
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s212
Q09788
[CH0][=Branch1][C][=OH0][Branch2][Ring1][#Branch2][NH0][CH2][CH2][CH2][C@H1][Ring1][Branch1][CH1][NH0][Branch1][C][H][OH0][CH1][Branch1][=Branch1][C@H1][CH2][CH2][Ring1][Ring1][NH0][Ring1][=Branch2][H][CH2][CH0][=CH1][NH0][Branch1][C][H][CH2][CH1][=CH1][Ring1][#Branch1]
O=C(CC1=CNCC=C1)N1CCC[C@H]1C1NOC(C2CC2)N1
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdTpTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQgArGpNhVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrSgPgSdGdViYgQiCwAgMqRfPpNlFrTwIiKqGdSdFhLdNpGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GC3_2_k12
1
-7.7
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174
P0DTU3
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
AdQdSdVkTeQwLpGaSqHeVdSeVdSeEaGfAaLkVdLkLtRwCmNfYtSdSdSpVpPdPwYkLkFwWkYwVwQaYaPpNpQdGdLiQdLtLfLwKiYdTdSpAdAdTqLwViKhGgIpNpGqFwEiAwEgFqKdKvSvErTrSiFtHmLiTiKhPgSgAdHhMqSvDvAfAtEkYmFwCmAwVtSdEpQpDvDpKdIiIdFiGyKpGiThRtLyHdIyLfPyNdIqQpNdPfDaPwAaVkYdQwLdRaDdSpKvSdSrDpKfSiVkCiLkFtTkDrFhDhSpQvTwNwVaSdQaSdKpDdSvDqVkYgIkTdDgKkCd...
AQSVTQLGSHVSVSEGALVLLRCNYSSSVPPYLFWYVQYPNQGLQLLLKYTSAATLVKGINGFEAEFKKSETSFHLTKPSAHMSDAAEYFCAVSEQDDKIIFGKGTRLHILPNIQNPDPAVYQLRDSKSSDKSVCLFTDFDSQTNVSQSKDSDVYITDKCVLDMRSMDFKSNSAVAWSNKSDFACANAFNNSIIPEDTFFPSADVTQTPRNRITKTGKRIMLECSQTKGHDRMYWYRQDPGLGLRLIYYSFDVKDINKGEISDGYSVSRQAQAKFSLSLESAIPNQTALYFCATSDESYGYTFGSGTRLTVVEDLNKVSP...
6EH7_1_k12
0
-2.9
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P74416
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4LGL_1_k12
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445184
Q9UIF8
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736442
Q8BHN3
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CN1[C@@H]2CC[C@H]1C[C@@H](N)C2
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5RA5_2_k12
0
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90655273
Q09472
[CH2][Branch1][#Branch2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][S@][Branch1][Ring1][OH0][H][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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MDIKYDVVIVGSGPIGCTYARELVGAGYKVAMFDIGEIDSGLKIGAHKKNTVEYQKNIDKFVNVIQGQLMSVSVPVNTLVVDTLSPTSWQASTFFVRNGSNPEQDPLRNLSGQAVTRVVGGMSTHWTCATPRFDREQRPLLVKDDADADDAEWDRLYTKAESYFQTGTDQFKESIRHNLVLNKLTEEYKGQRDFQQIPLAATRRSPTFVEWSSANTVFDLQNRPNTDAPEERFNLFPAVACERVVRNALNSEIESLHIHDLISGDRFEIKADVYVLTAGAVHNTQLLVNSGFGQLGRPNPANPPELLPSLGSYITEQSLV...
4MOE_3_k12
2
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s638
P14639
[CH0][=Branch1][C][=OH0][Branch2][Ring2][=Branch1][NH0][Branch1][C][H][C@@H1][Branch1][O][CH2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][CH0][Branch1][P][NH0][Branch1][C][H][CH2][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][=OH0][C@@H1][Branch2][Ring1][#Branch1][NH0][Branch2][Ring1][C...
CC1=CC(C(=O)N[C@@H](CC(=O)NCC(C)(C)C)C(=O)N[C@@H](CCc2ccccc2)C(=O)NCc2ccc(C)cc2)NO1
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TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAADCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTMICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSVEDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKVKEEEGSFNNVIGQFNPYGDNGGTILGIAGEDFAVLAGDTRNITDYSINSRYEPKVFDCGDNIVMSANGFAADGDALVKRFKNSVKWYHFDHNDKKLSINSAARNIQHLLYGKRFFPYYVH...
3SDI_1_k12
1
-8.8
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8117
D4APQ6
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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4S24_1_k12
0
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284
P35270
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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8CNS_3_k12
0
-2.2
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65082
P04761
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
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6WJC_1_k12
0
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3469
P06745
[CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH0][Branch1][Ring1][OH0][H][=CH1][Ring1][=C]
O=C(O)c1cc(O)ccc1O
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4E3D_1_k12
2
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s616
Q5IS73
[CH0][Branch2][Ring1][Ring1][C@@H1][Branch1][=Branch2][CH2][NH0][Branch1][Ring1][OH0][H][OH0][H][CH0][=CH1][CH1][=CH1][SH0][Ring1][Branch1][=CH0][Branch1][=Branch2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH0][=CH1][CH0][Branch1][C][CH3][=CH1][CH1][=CH0][Ring2][Ring1][=N][Ring1][#Branch1]
Cc1ccc2c([C@@H](CN(O)O)c3cccs3)c(-c3ccccc3)[nH]c2c1
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7FEE_4_k12
2
-6.8
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439357
Q9PPB4
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OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O
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4CQR_5_k12
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753
P82995
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6UZM_3_k12
0
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444205
P08842
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1P49_2_k12
0
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996
Q57834
[CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
Oc1ccccc1
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2VE7_2_k12
0
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s539
U5T8W0
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NYTFIIAGGGISGLTLADRLTEDPRVTVLVIEAGPLDRGEDGILVPGAFSPWLYFWPGLVSTPQAGLNNRTVDVITAQVVGGGSTINAMVYLRGDKDDYDSWGALGNPGWSWNSMLPYFIKSETFTPPSPELAAAGNITWDGSIRGRSGPVNYSYPNYFFPGSENWWNAANEVGLPPVKDPMAGSKQGVFWIPSAIDARTMTRSHARRNHYDRVSSRPNYHILPSHLVSKILFRGKQAIGVSYIPTSGGNTTTNVYASKEITLAAGGLGTPKILQLSGIGPRKLLNELGIPVISDLPGVGQNLQDQPTLTIPYTFTNNVF...
7AA2_4_k12
1
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174
P02945
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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1I3L_1_k12
0
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s673
Q837Z8
[CH2][CH2][CH1][Branch1][Ring2][CH2][CH2][CH3][CH1][Branch1][Branch2][CH2][CH2][C@@H1][Branch1][C][CH3][CH3][CH0][=Branch2][Ring1][Ring2][=CH1][CH1][Branch1][C][CH3][CH1][=CH1][CH1][=CH0][Branch1][C][CH3][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH2][Ring2][Ring1][O]
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DMPVERILEAELAVEDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEA
7UW4_1_k12
1
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185698
P15291
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OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
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2AES_6_k12
0
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174
P69052
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6WZK_2_k12
0
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s560
P24941
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CC(C)C1=C2NC(SCCN)NC(NCc3ccc([C@@H]4C=CC=CN4)cc3)=C2NN1
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6GVA_3_k12
1
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s896
G2Q1N4
[CH1][Branch2][Ring1][O][NH0][Branch1][C][H][C@@H1][Branch1][Ring2][CH2][SH0][H][CH1][Branch1][N][NH0][Branch1][C][H][CH2][CH0][=Branch1][C][=OH0][OH0][H][OH0][H][Branch1][P][CH2][CH2][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Branch1][C][H][H][OH0][H]
N[C@@H](CCC(O)N[C@@H](CS)C(O)NCC(=O)O)C(=O)O
MdKcDvEqVcAvLlLlAvAvVlTlLvLvGlVvLvLlQlAvYvFlSvLvQvVlIvSvAlRcRvAvFqRvVpSdPpPpLdTcTdGdPdPqElFsEvRlVsYvRvAlQsVvNvCsSvEvYcFsPvLlFlLsAvTlLlWvVlAlGsIvFqFfHnEvGvAvAsAsLvClGsLvVqYlLsFvAlRsLvRqYlFnQvGqYsAsRvShAvQvLrRnLpAvPsLvYvAsSnAvRvAsLsWvLvLsVvAvLsAsAvLvGsLvLcAvHvFvLvPvAvAvLvRvAvAvLvLvGvRvLvRvTvLd
MKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTL
3PCV_4_k12
0
-4.6
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12388
P00760
[CH2][Branch1][#Branch1][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCC
IdTvGvRdPlElWlIvWlLlAvLvGlTlAvLlMlGvLvGlTlLvYvFlLvVvKvGcMpGpVdSdDfPpDlAlKvKlFlYsAvIlTqTsLvVlPsAvIlAsFnTvMlYsLvScMvLnLvGpYnGqLwTdMfVaPaFaGpGnEdQtNfPiIdYrWlAsRvYlAvDsWqLlFpTnTvPlLsLlLvLvDsLlAcLvLlVlDvAhDdQpGvTvIsLvAlLlVnGvAlDsGnIlMlIsGvTlGlLsVvGlAlLrTdKhVyYqSvYvRsFvVvWsWlAvIsSsTvAvAsMvLvYvInLlYcVcLlFpFvGpFrTlSvKsAlEvSpMd...
ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
5H2H_8_k12
0
-3.7
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753
P21333
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
GdGqAlHqKvVkRdAkGdGaPqGlLlEaReAaEaAaGfVdPkArEkFiSwImWdTcRvErArGpAdGwGdLkAdIkAdVkEdGdPdSfKdAkEdIkSdFwEdDdRdKpDvGrStCiGmVmAiYmVhVtQhEdPfGdDkYmEwViSfViKdFtNnEnEhHtIhPpDcSpPrFgViVyPgVyAhShPdSd
GGAHKVRAGGPGLERAEAGVPAEFSIWTREAGAGGLAIAVEGPSKAEISFEDRKDGSCGVAYVVQEPGDYEVSVKFNEEHIPDSPFVVPVASPS
2BRQ_1_k12
0
-2.9
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[0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
446996
Q91MA7
[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
PdGdAdTdLdCdLdGdHdHdAfVdPpNdGfTdLwVaKaTdIpTpDdDpQtIfEtVfTrNdAwTdEwLqVaQdSeSdSfTpGqKaIaCaNcNpPdHwRpIeLdDeGqIvDqCdTdLvIvDcAlLlLqGaDqPpHvCnDvVvFqQaNfEhTfWtDqLeFyVeEyReSpKnAhFdSgNqCaYfPaYaDaVePdDpYpAvSvLvRsSwLqVvAqSqSlGgTtLsEhFwIdTfEdGdFdTdWqTpGfVwTdQkNqGdGfSdNlAsCrKdRdGpPpGdSgGhFhFgSpRfLwNiWdLtTfKgSdGpSqTaYqPdVwLgNkVdTkMd...
PGATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRLSSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPE
5VTQ_4_k12
2
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446350
O24313
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5YUA_3_k12
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s573
P27708
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7S7A_1_k12
1
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174
Q6J4G7
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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DKWVCAQPSSQKATNHNLHITEKLEVLAKAYSVQGDKWRALGYAKAINALKSFHKPVTSYQEACSIPGIGKRMAEKIIEILESGHLRKLDHISESVPVLELFSNIWGAGTKTAQMWYQQGFRSLEDIRSQASLTTQQAIGLKHYSDFLERMPREEATEIEQTVQKAAQAFNSGLLCVACGSYRRGKATCGDVDVLITHPDGRSHRGIFSRLLDSLRQEGFLTDDLVSQEENGQQQKYLGVCRLPGPGRRHRRLDIIVVPYSEFACALLYFTGSAHFNRSMRALAKTKGMSLSEHALSTAVVRNTHGCKVGPGRVLPTPTE...
7M0D_3_k12
0
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12391
P02945
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCC
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ITGRPEWIWLALGTALMGLGTLYFLVKGMGVSDPDAKKFYAITTLVPAIAFTMYLSMLLGYGLTMVPFGGEQNPIYWARYADWLFTTPLLLLDLALLVDADQGTILALVGADGIMIGTGLVGALTKVYSYRFVWWAISTAAMLYILYVLFFGFTSKAESMRPEVASTFKVLRNVTVVLWSAYPVVWLIGSEGAGIVPLNIETLLFMVLDVSAKVGFGLILLRSRAIFGEAE
5B6X_6_k12
0
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82400
Q9I6J1
[C@@H1][Branch1][O][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][C@H1][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][OH1][=Branch1][C][=OH0][OH0][H][OH0][Ring2][Ring1][=Branch2]
O=P(O)(O)OC[C@H]1O[C@H](OP(=O)(O)O)[C@H](O)[C@@H](O)[C@@H]1O
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2I55_1_k12
1
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753
Q9P999
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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MKYMITSKGDEKSDLLRLNMIAGFGEYDMEYDDVEPEIVISIGGDGTFLSAFHQYEERLDEIAFIGIHTGHLGFYADWRPAEADKLVKLLAKGEYQKVSYPLLKTTVKYGIKKEATYLALNESTVKSSGGPFVVDVVINDIHFERFRGDGLCMSTPSGTTAYNKSLGGALMHPSIEAMQLTEMASINNRVYRTIGSPLVFPKHHVVSLQPVNDKDFQISVDHLSILHRDVQEIRYEVSAKKIHFARFRSFPFWRRVHDSFIEDMKYMITSKGDEKSDLLRLNMIAGFGYDMEYDDVEPEIVISIGGDGTFLSAFHQYEER...
5DHQ_3_k12
0
-3.4
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1140
A3T0D1
[CH3][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1]
Cc1ccccc1
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5TDT_1_k12
2
-6.3
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s717
P11473
[C@@H1][Branch1][#Branch2][NH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][H][C@H1][Branch2][Ring1][Branch1][NH0][Branch1][P][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH1][CH0][Branch1][Ring1][OH0][CH3][=CH1][Ring1][Branch2][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch2][Ring2][Branch2][OH0][C@H1][C@H1][Branch1][...
COc1cccc(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@@H](O[C@H]3[C@H](O)[C@@H](NC(=O)c4cccc(OC)c4)[C@@H](NC(C)=O)O[C@@H]3CO)[C@@H]2O)c1
PdLdIdVpPqYdNkLdPwLaPaGlGfVdVdPaRqMkLkIkTkIwLkGwTwVfKaPaNpAfNaRkIkAwLkDfFqQdRlGvNpDkVtAfFwHiFwNmPfRgFcNdEdNvNnRaRtVkIiVwCiNfTiKaLdDpNnNdWtGdRdEiEdRiQfSrVpFdPpFhEdShGgKgPmFkKmIwQmVwLgVdEhPqDfHwFiKwViAdVmNpDpAhHtLgLdQtYdNgHgRpVpKnKsLrNsEsIsStKmLmGtIiShGtDrIiDgLtTdSdAiSdYmTdMgId
PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPFESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
5NFB_1_k12
2
-6.8
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0]
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s769
P42556
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][=CH0][Branch1][Branch1][CH0][Ring1][Branch2][=OH0][NH0][Branch1][C][H][CH2][NH0][Ring1][Branch2][H]
O=C1NCNC2=C1NCN2
IdLaDaFpPpFdTdWlDqGfTlHaLdPdApQvIlGvEvLdAdPqVwVdKwVhRqTaIlAlGrAfEtAaWiLeVgSfSaYlEvLlVlKqQvVlLlEaDdDcRlFqSpLqKlNcTqSlDpPpGpVfPgRhQnYaAdLaTlIdPdPsEnVcVsNcNvMvGvNlIcTvGvAlGvLnRvKvAlVvMlKqAlIlNpPcKpAnPpGcLnQlEvWvMlElEvHvAlAlEvLlVlEvRvMdLvKvHvGaApPwVfDfIcRlSvMsFaTlDqPlFsSqEqAqMsHlCcQvIqLqGqIhPdHsEvAcAsPvLlLlSvEvSlLqPlIpAnFq...
ILDFPFTWDGTHLPAQIGELAPVVKVRTIAGAEAWLVSSYELVKQVLEDDRFSLKNTSDPGVPRQYALTIPPEVVNNMGNITGAGLRKAVMKAINPKAPGLQEWMEEHAAELVERMLKHGAPVDIRSMFTDPFSEAMHCQILGIPHEAAPLLSESLPIAFMNSPREIPAARLNWDRDIAYMTARLDDTEQGLIGDLAKLRGTEGYEHVSDEMFATVGVTLFGAGVISTAGFLAMALVTLLTHPEEADHLADHPELMPQAVDELLRINLSIGDGLPRLAMEDMTLGEVEVKKGELVLVLPEGANFDPSVFPDPHRLDFTRA...
8Q6Y_2_k12
0
-4.7
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10435195
P15090
[CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][#Branch2][CH0][Branch1][=Branch2][C@H1][CH2][CH2][CH2][CH2][CH2][Ring1][=Branch1][=CH0][Branch1][Branch2][CH0][=CH1][OH0][CH1][=CH1][Ring1][Branch1][NH0][Ring2][Ring1][C][CH2][CH0][=Branch1][C][=OH0][NH0][CH2][...
O=C(O)c1ccc2c(C3CCCCC3)c(-c3ccoc3)n(CC(=O)N3CCC(C(=O)O)CC3)c2c1
SdMwSqYwTdWfTpGpAdLaIqTdPdCdApApEaMcVkYdAkTaTgSsRvScAvSvLvRvQcKvKqVlTtFdDdRfLqQaVdLdDdDvHlYlRvDvVlLlKvElMlKqAvKlAlSlTvVaKaAfKeLfLdSdIqEqErAlClKcLfTfPdPcHqSpAdKqSfKpFqGpYgGgAnKvDcVsRnNvLvSpSvRvAlVsNvHvIlRvSvVvWlEvDcLlLvEvDdTqEaTaPaIaDeTkTeIkMhAfKdSiEaVmFaCrVdQpGpRdKdPhAgRdLiIaViFaPgDgLpGsVvRlVsCnElKcMrAqLpYvDrVvVqSlTpLs...
SMSYTWTGALITPCAAEMVYATTSRSASLRQKKVTFDRLQVLDDHYRDVLKEMKAKASTVKAKLLSIEEACKLTPPHSAKSKFGYGAKDVRNLSSRAVNHIRSVWEDLLEDTETPIDTTIMAKSEVFCVQGRKPARLIVFPDLGVRVCEKMALYDVVSTLPQAVMGSSYGFQYSPKQRVEFLVNTWKSKKCPMGFSYDTRCFDSTVTESDIRVEESIYQCCDLAPEARQAIRSLTERLYIGGPLTNSKGQNCGYRRCRASGVLTTSCGNTLTCYLKATAACRAAKLQDCTMLVNGDDLVVICESAGTQEDAAALRAFTEA...
3MWW_1_k12
1
-7.8
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s152
P22256
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][H][H][CH0][Branch1][N][CH2][OH0][P@][Branch1][C][OH1][=Branch1][C][=OH0][OH0][H][=CH1][Ring2][Ring1][Branch1]
CC1NC=C(COP(=O)(O)O)C(CN)=C1O
NdSdNlKvEvLvMvQvRvRcSvQvApIpPdRcGlVpGpQdIlHdPsIfFaAwDdRdAaEwNfCqRwVtWaDtVpEvGgRdEiYfLgDeFqAcGlGvIpAlVqLaNlTvGgHdLpHdPvKlVlVvAvAlVlEvAvQlLvKvKpLdSwHfTdCfFcQvVvLpAnYdEvPlYlLvEvLvCqEvIvMvNqQvKqVaPdGdDpFaAgKkKtTkLfLkVfTfTdGqSlEvAqVvEvNvAvVlKvIlAlRcAlAlTqKvRaSrGaTeIeAaFeSaGlAaYaHrGdRqTdHlYvTrLcAlLnThGnKaVcNpPpYsSvApGpMvGdLh...
NSNKELMQRRSQAIPRGVGQIHPIFADRAENCRVWDVEGREYLDFAGGIAVLNTGHLHPKVVAAVEAQLKKLSHTCFQVLAYEPYLELCEIMNQKVPGDFAKKTLLVTTGSEAVENAVKIARAATKRSGTIAFSGAYHGRTHYTLALTGKVNPYSAGMGLMPGHVYRALYPCPLHGISEDDAIASIHRIFKNDAAPEDIAAIVIEPVQGSGGFYASSPAFMQRLRALCDEHGIMLIADEVQSGAGRTGTLFAMEQMGVAPDLTTFAKSIAGGFPLAGVTGRAEVMDAVAPGGLGGTYAGNPIACVAALEVLKVFEQENLL...
1SZK_2_k12
1
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s148
P0DTC1
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8914
Q96SB4
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7M2H_3_k12
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s76
P62483
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3EB3_1_k12
1
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s2
O60341
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OCCN1CCN(CCS(O)(O)O)CC1
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5MMY_2_k12
2
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753
Q92PX0
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4MW1_1_k12
0
-2.8
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4369116
P29476
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C[C@H](O)[C@H](O)[C@H]1CNC2=C(N1)C(=O)NC(N)N2
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7TSD_2_k12
2
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753
P39075
[CH2][Branch1][=Branch2][CH1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][H]
OCC(O)CO
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1R8E_3_k12
0
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s906
P55366
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6MPK_2_k12
1
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753
Q8IBS5
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4AJN_2_k12
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54670067
Q8N6T7
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4O79_1_k12
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174
B0U232
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5V96_1_k12
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1060
644290
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4FEG_2_k12
0
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s68
P08709
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Cc1c(CN(C)C(=O)C=CC2=Cc3ccc(=O)[nH]c3NC2)oc2ccccc12
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6AHE_2_k12
1
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s981
P06730
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7D6Y_1_k12
1
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753
P23847
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4QFO_1_k12
0
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90655273
O59394
[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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9K7M_4_k12
0
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s45
P9WQ81
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CC1=C(O)C(C)NC=C1COP(=O)(O)O
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4XEW_2_k12
2
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64960
Q1EMV2
[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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5D6L_6_k12
0
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174
P03369
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4OBF_2_k12
0
-3
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s58
P0DTC1
[OH0][=CH0][Branch1][P][NH0][Branch1][C][H][CH0][=CH1][NH0][Branch1][C][H][CH2][CH1][=CH0][Ring1][#Branch1][CH3][CH2][CH2][CH0][=CH0][Branch1][C][FH0][CH1][=CH1][CH1][=CH1][Ring1][#Branch1]
CC1=CCNC=C1NC(=O)CCc1ccccc1F
SdGaFdRdKqMdAaFpPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMfLaNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQqAqGpNhVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQaPaGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAgMqRfPnNlFrTwItKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GCE_2_k12
1
-7.3
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525
Q99640
[CH1][Branch1][Branch2][CH2][CH0][=Branch1][C][=OH0][OH0][H][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][H]
O=C(O)CC(O)C(=O)O
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MQTFQADLAIVGAGGAGLRAAIAAAQANPNAKIALISKVYPMRSHTVAAEGGSAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELWGCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQIQRFDEHFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVYRYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGILMTEGCRGEGGILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWRKGNTISTPRGDVVYLDLRHL...
3P4Q_1_k12
2
-5.4
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679
P15379
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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5SBL_2_k12
0
-2.4
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7C0V_1_k12
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3K4Q_2_k12
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3P67_2_k12
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753
741496
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7F6S_1_k12
0
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679
C5D4J5
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4PG5_3_k12
0
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446404
P24627
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DYVLYKDATKPVEDRVADLLGRMTLAEKIGQMTQIERLVATPDVLRDNFIGSLLSGGGSVPRKGATAKEWQDMVDGFQKACMSTRLGIPMIYGIDAVHGQNNVYGATIFPHNVGLGATRDPYLVKRIGEATALEVRATGIQYAFAPCIAVCRDPRWGRCYESYSEDRRIVQSMTELIPGLQGDVPKDFTSGMPFVAGKNKVAACAKHFVGDGGTVDGINENNTIINREGLMNIHMPAYKNAMDKGVSTVMISYSSWNGVKMHANQDLVTGYLKDTLKFKGFVISDWEGIDRITTPAGSDYSYSVKASILAGLDMIMVPNK...
3WLN_3_k12
2
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449488
Q9GTW8
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH2][CH2][Ring1][#Branch1]
C1CNCN1
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7C70_2_k12
0
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445395
P21553
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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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5URE_2_k12
1
-10.1
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356
P00698
[CH2][Branch1][Ring2][CH2][CH2][CH3][CH2][CH2][CH2][CH3]
CCCCCCCC
WdTaNpTlSqGdSdCcKvGvRpCaFqEnLqQdEdVdGdPpPnDyCaRhCrDhNfLcCrKvSvYvSvSrChCrHpDcFnDcEpLqChLqKaTqApRpGhWqEdCdTaKlDvRqCaGlEnVpRdNdEsErNhAqCfHhCrShEpDcCrLlSlRqGqDgChCrTlNcYnQcVvVhChKvGvEdSdHqWvVlDpDdDdCqEdEdIlRqVaPaEdCdPdApGlFdVpRaPaPfLeIeIeFeSeVeDeGqFfRaAlSvYvMcKvKvGaScKvVqMfPsNlIvEnKcLlRfSqCwGfTeHwAaPsYfMaRfPaVaYfPqTlKhTdFp...
WTNTSGSCKGRCFELQEVGPPDCRCDNLCKSYSSCCHDFDELCLKTARGWECTKDRCGEVRNEENACHCSEDCLSRGDCCTNYQVVCKGESHWVDDDCEEIRVPECPAGFVRPPLIIFSVDGFRASYMKKGSKVMPNIEKLRSCGTHAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWSVSIPHERRILTILQWLSLPDNERPSVYAFYSEQPDFSGHKYGPFGPEMTNPLREIDKTVGQLMDGLKQLKLHRCVNVIFVGDHGMEDVTCDRTE...
3NKO_5_k12
0
-4.7
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s710
P15121
[P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][Branch2][Ring2][#C][OH0][P@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][CH2][C@][Branch1][C][CH3][Branch1][C][CH3][C@@H1][Branch1][Ring1][OH0][H][CH0][Branch2][Ring1][Ring1][NH0][Branch1][C][H][CH2][CH2][CH0][Branch1][=Branch2][NH0][Branch1][C][H][CH2][CH2][SH0][H][=...
CC(C)(CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1OP(=O)(O)O)[C@@H](O)C(=O)NCCC(=O)NCCS
TdPaWaSaKlSvEnLlVlRvQqLcRvDlLlGpVqRaSaGqDaMaVeMePeHqVaSdLqRvAqVlGdPhLhApDvGpPlQvTsLvVvDvAsLvIdEvAsVnGhPqTnGyNkIyLkAyFfVfSaWaRqDpSwPcYdEvQqTfLkGpHhDpAfPrPpApAvIcAvQpSdWpPdAaFdDdPfDlHpAtPaAgYrPpGvFrGdApIsNvEnFvIqRsTpYdPpGqCwRgRwTaAqHpPrDgArSiMmAiAmIdGhPpDcArAvWvLlVrApPpHdEdMpGqApArYqGePpRrShPsIlAvRvFcLlAvHrAqGhKkIyLkSyIf...
TPWSKSELVRQLRDLGVRSGDMVMPHVSLRAVGPLADGPQTLVDALIEAVGPTGNILAFVSWRDSPYEQTLGHDAPPAAIAQSWPAFDPDHAPAYPGFGAINEFIRTYPGCRRTAHPDASMAAIGPDAAWLVAPHEMGAAYGPRSPIARFLAHAGKILSIGAGPDAVTALHYAEAVARIEGKRRVTYSMPLLREGKRVWVTTSDWDSNGILDEYAAPDGPDAVERIARDYLARTRVAQGPVGGAQSRLIDAADIVSFGIEWLEARHAA
6BC3_2_k12
2
-7
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444279
P06010
[CH2][Branch1][=N][CH2][CH2][CH2][N@+1][Branch1][C][CH3][Branch1][C][CH3][OH0][H][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCC[N+](C)(C)O
MdYdHdGqAdLdAdQpHdLdDgIdAvQvLvVvWvYvAvQvWvLvVvIvWcTcVcVvLqLvYnLpRqRqEvDvRvRqEpGcYpPpLpVdEdPdLdGdLpVdKdLdAdPpEpDvGvQsVvYrEsLhPdYdPkKdTwFdVqLdPlHvGgGdTiVdTiVtPdRdRdRdPdEdTpRdEdLaKqLwAaQfTpDdGdFdEpGvAtPdLiQhPhTpGdNqPcLlVlDsAqVdGdPlAlSpYfAdEpRdAdEqVaVaDdAaTaVnDvGgKhArKfIwVfPwLcRvVvAvTpDvFaSdIdApEpGpDdVaDpPqRqGqLaPfVeVaAeAq...
MYHGALAQHLDIAQLVWYAQWLVIWTVVLLYLRREDRREGYPLVEPLGLVKLAPEDGQVYELPYPKTFVLPHGGTVTVPRRRPETRELKLAQTDGFEGAPLQPTGNPLVDAVGPASYAERAEVVDATVDGKAKIVPLRVATDFSIAEGDVDPRGLPVVAADGVEAGTVTDLWVDRSEHYFRYLELSVAGSARTALIPLGFCDVKKDKIVVTSILSEQFANVPRLQSRDQITLREEDKVSAYYAGGLLYATPERAESLLALLSFERKYRVRGGTLIGGDLFDFWVGPYFVGFFGVSAIFFIFLGVSLIGYAASQGPTWDPF...
5PRC_1_k12
2
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264
Q96MU7
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0
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66085
O24872
[CH2][Branch1][=Branch2][CH2][CH2][CH2][NH0][Branch1][C][H][H][CH2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H]
NCCCCCCCC(=O)O
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3QXX_3_k12
0
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s90
P14779
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3R7M_2_k12
1
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753
A0A0M0ELU2
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3S9J_2_k12
0
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7156966
Q6DPI6
[C@H1][Branch1][=Branch2][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][H][Branch1][Ring1][OH0][H][CH2][CH2][CH2][CH3]
CCCC[C@H](O)[C@H](O)CO
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CFEPPPATTTQTGFRGLSMGEVLHPATVKAKKERDAQYPPALAAVKAEGPPVSQVYKNVKVLGNLTEAEFLRTMTAITEWVSPQEGCTYCHDENNLASEAKYPYVVARRMLEMTRAINTNWTQHVAQTGVTCYTCHRGTPLPPYVRYLEPTLPLNNRETPTHVERVETRSGYVVRLAKYTAYSALNYDPFTMFLANDKRQVRVVPQTALPLVGVSRGKERRPLSDAYATFALMMSISDSLGTNCTFCHNAQTFESWGKKSTPQRAIAWWGIRMVRDLNMNYLAPLNASLPASRLGRQGEAPQADCRTCHQGVTKPLFGAS...
3G7F_1_k12
0
-4.5
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71408159
Q58993
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CCCCCCCCC=CCCCCCCCCOC[C@H](O)CO
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RENALLSSSLWVNVALAGIAILVFVYMGRTIRPGRPRLIWGATLMIPLVSISSYLGLLSGLTVGMIEMPAGHALAGEMVRSQWGRYLTWALSTPMILLALGLLADVDLGSLFTVIAADIGMCVTGLAAAMTTSALLFRWAFYAISCAFFVVVLSALVTDWAASASSAGTAEIFDTLRVLTVVLWLGYPIVWAVGVEGLALVQSVGATSWAYSVLDVFAKYVFAFILLRWVANNERTVAV
1E12_1_k12
0
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174
Q9VMQ5
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3U0I_2_k12
0
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174
O13842
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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DYPRDLIGYGNNPPHPHWPGDARIALSFVLNYEEGGERCVLHGDKESEAFLSEMVAAQPLQGVRHMSMESLYEYGSRAGVWRLLKLFKRRNVPLTVFAVAMAAQRNPEVIRAMVADGHEICSHGYRWIDYQYMDEAQEREHMLEAIRILTELTGQRPVGWYTGRTGPNTRRLVMEEGGFLYDSDTYDDDLPYWDPASTAEKPHLVIPYTLDTNDMRFTQVQGFNNGEQFFQYLKDAFDVLYEEGATAPKMLSIGLHCRLIGRPARMAALERFIQYAQSHDKVWFARREDIARHWHREHPFQYPRDLIGYGNNPPHPHWPG...
1Z7A_2_k12
0
-3.1
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753
P07062
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2ZLY_1_k12
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176
Q9HYT3
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MNPSTTQARVVVDELIRGGVRDVVLCPGSRNAPLAFALQDADRSGRIRLHVRIDERTAGYLAIGLAIGAGAPVCVAMTSGTAVANLGPAVVEANYARVPLIVLSANRPYELLGTGANQTMEQLGYFGTQVRASISLGLAEDAPERTSALNATWRSATCRVLAAATGARTANAGPVHFDIPLREPLVPDPPLVTPPGRPAGKPWTYTPPVTFDQPLDIDLSVDTVVISGHGAGVHPNLAALPTVAEPTAPRSGDNPLHPLALPLLRPQQVIMLGRPTLHRPVSVLLADAEVPVFALTTGPRWPDVSGNSQATGTRAVTTGA...
6O0J_3_k12
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Q5W0Z9
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9F4R_1_k12
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753
P02945
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
LdVdPdRdGdSlHlMpLwFfQdNqVkSfIfAlGfLkAfHkIwDaAaPdHdTkLdTfSlKvEvIlNcEvRlLlQvPvTvYcDvRvLvGvIpKpTdDsVcLqGcDpVvAfGlIaHgAiRaRhLaWhDpQpDpVdQaAwSlDvAqAqTlQvAqAvRvKrArLcIvDsAsNvIdGaIlEaKqIaGqLeLeIeNeTeSeVpSgRaDdYdLpEdPdSaTsAqSvIsVsScGvNvLrGvVhSdDpHnChMhTyFhDyVhAyNfAkCqLcArFlIlNvGvMvDvIvAvAsRvMcLqEsRvGpEvIgDfYkAhLkVyVwDtGwEdThAl...
LVPRGSHMLFQNVSIAGLAHIDAPHTLTSKEINERLQPTYDRLGIKTDVLGDVAGIHARRLWDQDVQASDAATQAARKALIDANIGIEKIGLLINTSVSRDYLEPSTASIVSGNLGVSDHCMTFDVANACLAFINGMDIAARMLERGEIDYALVVDGETANLVYEKTLERMTSPDVTEEEFRNELAALTLGCGAAAMVMARSELVPDAPRYKGGVTRSATEWNKLCRGNLDRMVTDTRLLLIEGIKLAQKTFVAAKQVLGWAVEELDQFVIDQVSRPHTAAFVKSFGIDPAKVMTIFGEHGNIGPASVPIVLSKLKELGR...
6B2T_1_k12
0
-3.9
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753
Q9I931
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
PdLfGqSvMvAvLvKvRvIlHvKvElLvNvDvLcAvRvDpPpPdApQfSkRdAkGaPdVpGdDpDdMrFqHkWmQkAmTwIgMqGaPdNdDqSfPlYsQhGpGfViFwFiLkTiIwHgFdPdTsDpYpPpFvKaPaPiKqViAfFtTpTwRdIfYqHaPfNqIaNdSpNrGrShIgKdLdDcIcLnRpSvQnWpSdPsApLdTgIvSvKvVvLsLvSvIvSnSvLcLrSnDpPpNdPlDvDdPgLpVhPvEvIlAsRvIcYcKvTpDpRvEpKvYsNsRvIvArRnEvWsTrQvKvYtArMd
PLGSMALKRIHKELNDLARDPPAQSRAGPVGDDMFHWQATIMGPNDSPYQGGVFFLTIHFPTDYPFKPPKVAFTTRIYHPNINSNGSIKLDILRSQWSPALTISKVLLSISSLLSDPNPDDPLVPEIARIYKTDREKYNRIAREWTQKYAM
5ULF_1_k12
0
-2
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985
P11114
[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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5CA6_4_k12
1
-7.6
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753
Q38946
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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HWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
3R17_2_k12
0
-4
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12391
P11609
[CH2][Branch1][Branch2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][CH2][CH2][CH2][CH2][CH2][CH2][CH3]
CCCCCCCCCCCCCCC
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MVILGVGYFLLGLILLYYGSDWFVLGSERIARHFNVSNFVIGATVMAIGTSLPEILTSAYASYMHAPGISIGNAIGSCICNIGLVLGLSAIISPIIVDKNLQKNILVYLLFVIFAAVIGIDGFSWIDGVVLLILFIIYLRWTVKNGSAKNNPSVVFSLVLLIIGLIGVLVGAELFVDGAKKIALALDISDKVIGFTLVAFGTSLPELMVSLAAAKRNLGGMVLGNVIGSNIADIGGALAVGSLFMHLPAENVQMAVLVIMSLLLYLFAKYSKIGRWQGILFLALYIIAIASLR
5HXR_1_k12
0
-3.5
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5288834
Q52424
[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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444205
P07207
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7ALJ_1_k12
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s403
Q6JP77
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2VFL_1_k12
2
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24139
P02751
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174
P01903
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7YX9_1_k12
0
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444205
P02699
[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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6PGS_3_k12
0
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447053
P29736
[CH2][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][C][CH3][OH0][Ring1][=N]
C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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1E6Q_4_k12
0
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s59
Q9WMX2
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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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5T64_1_k12
1
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174
P9WNX1
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6VZZ_2_k12
0
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s637
P06737
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COC(=O)C1=C(c2cc(F)cc(F)c2)N2NCNC2N[C@@H]1C1=CNCC=C1
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HLSLLYHLTAVSSPAPGTPAFWVSGWLGPQQYLSYNSLRGEAEPCGAWVWENQVSWYWEKETTDLRIKEKLFLEAFKALGGKGPYTLQGLLGCELGPDNTSVPTAKFALNGEEFMNFDLKQGTWGGDWPEALAISQRWQQQDKAANKELTFLLFSCPHRLREHLERGRGNLEWKEPPSMRLKARPSSPGFSVLTCSAFSFYPPELQLRFLRNGLAAGTGQGDFGPNSDGSFHASSSLTVKSGDEHHYCCIVQHAGLAQPLRVELEIQRTPKIQVYSRHPAENGKSNFLNCYVSGFHPSDIEVDLLKNGERIEKVEHSDLS...
6C99_4_k12
1
-9.1
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