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
s1129
O60674
[NH0][Branch1][C][H][CH1][Branch2][Ring1][Branch2][NH0][Branch1][C][H][C@@H1][Branch1][C][CH3][CH1][NH0][Branch1][C][H][CH2][CH0][Branch1][C][FH0][=CH1][NH0][Ring1][Branch2][H][NH0][Branch1][C][H][CH1][Branch1][=Branch2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][NH0][Branch1][C][H][CH1][Ring2][Ring1][N][NH0][Branc...
C[C@H](NC1NC(NC2=CN(C)CN2)NC(N2CCOCC2)N1)C1NC=C(F)CN1
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QFEERHLKFLQQLGKGSVEMCRYDPLQDNTGEVVAVKKLHLRDFEREIEILKSLQHDNIVKYKGVCLKLIMEYLPYGSLRDYLQAHAERIDHIKLLQYTSQICKGMEYLGTKRYIHRDLATRNILVENENRVKIGDFGLTKVLPQDKEYYKVKEPGESPIFWYAPESLTESKFSVASDVWSFGVVLYELFTYIEKSKSPPAEFMRMIGNDKQGQMIVFHLIELLKNNGRLPRPDGCPDEIYMIMTECWNNNVNQRPSFRDLALRVDQIRDQMA
4C62_1_k12
1
-8
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174
Q8L0X4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7YKV_3_k12
0
-3.3
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753
O26232
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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DVMDVMNRLILAMDLMNRDDALRVTGEVREYIDTVKIGYPLVLSEGMDIIAEFRKRFGCRIIADFKVADIPETNEKICRATFKAGADAIIVHGFPGADSVRACLNVAEEMGREVFLLTEMSHPGAEMFIQGAADEIARMGVDLGVKNYVGPSTRPERLSRLREIIGQDSFLISPGVGAQGGDPGETLRFADAIIVGRSIYLADNPAAAAAGIIESIKDLL
4O11_2_k12
0
-2.8
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s544
Q9UJM8
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OC1=CCC2=C(c3ccc(O)cc3O)NNC2=C1
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2QA6_1_k12
1
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11572003
P35236
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][CH3][OH0][Ring1][P]
COC[C@H]1O[C@H](O)[C@H](O)[C@@H](OC)[C@@H]1O
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IALSEIVSVVNTSDGRIEVFGVGTDNAVWHNRQTAPHSGSSWTGWISLNGKVTSKPVVYINTDGRLEVFARGTDNALWHIWQTATNAGWSNWQSLGGTITSNPAVYVNTDGRIDVFARGTDNALWHISQTAAHSGPWSSWQSLNGVITSNPAVHINSDGRLEVFARGTDNALWHIWQTAPDSNQWSGWDSLGGVITSDPVVIGTADGRLEVFARGSNNALYHIWQTVPHGGPWSNWASLNGVITSAPAVVKNSDGRLEVFARGTNNALYHIWQTVSHSGPWSNWATLNGTITSAPTAVEDADGRLEVFARGTDNALWNIW...
6RGG_2_k12
0
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439427
P09958
[C@H1][Branch1][Ring1][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][=OH0][Branch1][C][OH1][OH0][H][OH0][Ring2][Ring1][Branch1]
O=P(O)(O)OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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5V0T_5_k12
1
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s583
P9WMN3
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6GE9_3_k12
0
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s628
O95243
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3GH6_1_k12
2
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439357
Q54450
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4KPS_3_k12
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Q9X6U2
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3SFH_1_k12
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176
P10807
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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4CI9_2_k12
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Q02127
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6JYS_4_k12
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679
P27695
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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6MKM_1_k12
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447053
P17412
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7VLE_1_k12
0
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174
P15776
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
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8QTF_2_k12
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72551600
P12497
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4CJR_2_k12
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444205
P29473
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6FGO_3_k12
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6H2K_3_k12
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s175
P06737
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GYVPAVVIGTGYGAAVSALRLGEAGVQTLMLEMGQLWNQPGPDGNIFCGMLNPDKRSSWFKNRTEAPLGSFLWLDVVNRNIDPYAGVLDRVNYDQMSVYVGRGVGGGSLVNGGMAVEPKRSYFEEILPRVDSSEMYDRYFPRANSMLRVNHIDTKWFEDTEWYKFARVSREQAGKAGLGTVFVPNVYDFGYMQREAAGEVPKSALATEVIYGNNHGKQSLDKTYLAAALGTGKVTIQTLHQVKTIRQTKDGGYALTVEQKDTDGKLLATKEISCRYLFLGAGSLGSTELLVRARDTGTLPNLNSEVGAGWGPNGNIMTAR...
3GYJ_1_k12
1
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176
P0AEX9
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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KIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPAAAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYAAGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSAVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAAT...
5TIB_1_k12
0
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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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MKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAA...
3G7W_1_k12
0
-2.7
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s416
Q8CDM1
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5KH7_1_k12
1
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174
P15273
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5HFR_1_k12
0
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3776
P00698
[CH3][C@H1][Branch1][C][CH3][OH0][H]
CC(C)O
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3RT5_1_k12
0
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126456387
P10828
[CH2][Branch1][=Branch2][CH2][C@H1][CH2][CH2][OH0][CH2][Ring1][Branch1][CH0][Branch1][Branch2][NH0][CH2][CH2][CH2][CH2][Ring1][Branch1][=OH0]
O=C(CC[C@H]1CCOC1)N1CCCC1
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GDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVLLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTRAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGE
5J1Y_1_k12
1
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174
P0AC15
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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3SL6_1_k12
0
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248
P0DTC1
[CH2][Branch1][=Branch2][N@+1][Branch1][C][CH3][Branch1][C][CH3][CH3][CH0][=Branch1][C][=OH0][OH0][H]
C[N+](C)(C)CC(=O)O
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8HQ8_3_k12
0
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445184
561743
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8PMS_5_k12
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25019309
P28845
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3PDJ_1_k12
1
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444205
P05164
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6WY0_1_k12
0
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445184
P00808
[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
GdAdTdLdCdLdGdHdHdAfVdPpNdGwTdLwVaKdTdIpTpDdDrQtIfEtVfTrNdAwTdEwLqVaQfSeSdSfTpGqKaIaCaNcNpPdHwRnIeLaDeGqIvDqChTdLpIvDcAlLlLqGaDqPqHvCnDvVvFqQaNfEdTfWgDqLeFyVeEyReSpKnAhFdSgNqCaYfPaYaDaVePdDpYpAvSvLvRqSwLqVvAqSqSqGgTtLsEhFwIdTfEdGdFdTdWqTpGqVwTdQkNqGdGfSdNlAsCrKdRhGpPpGdStGhFhFrSpRfLwNiWwLtTfKgSdGpSqTaYqPdVkLgNkVdTkMdPw...
GATLCLGHHAVPNGTLVKTITDDQIEVTNATELVQSSSTGKICNNPHRILDGIDCTLIDALLGDPHCDVFQNETWDLFVERSKAFSNCYPYDVPDYASLRSLVASSGTLEFITEGFTWTGVTQNGGSNACKRGPGSGFFSRLNWLTKSGSTYPVLNVTMPNNDNFDKLYIWGVHHPSTNQEQTSLYVQASGRVTVSTRRSQQTIIPNIGSRPWVRLSSSRISIYWTIVKPGDVLVINSNGNLIAPRGYFKMRTGKSSIMRSDAPIDTCISECITPNGSIPNDKPFQNVNKITYGACPKYVKQNTLKLATGMRNVPE
5VTU_2_k12
0
-2.6
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174
Q47511
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
AdEpWvHvKvIlIqEvDvIqSvKvNdNqKqFfEdDwAkAwIkVfDwYdKpTpTlKgNaVtLpAdAiIdPpNpRdTqFqAnKqIaNhPpGvEqVsIvPcLlIqTpNpHqNpIdLaKwPtLqIhGsQnKfFtCkIgVwYdTaNdSpLlMvDpEvNvTqYnAkMtEwLiLwTgGpYdApPpVtSwPiIwVmIwAgRdTaHpTtAiLiImFiLtMtGgKdPrTpTrSdRnRvDvVrYrRvTsCrRnDvHvArTvRvVvRnAvTvGvNd
AEWHKIIEDISKNNKFEDAAIVDYKTTKNVLAAIPNRTFAKINPGEVIPLITNHNILKPLIGQKFCIVYTNSLMDENTYAMELLTGYAPVSPIVIARTHTALIFLMGKPTTSRRDVYRTCRDHATRVRATGN
4QWO_1_k12
0
-2.2
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[0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,1,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
s670
O53871
[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
GdSdSaHlHaHqHdHcMpPaDdNaTfIwQdWwDdKqDdApDqGqIeViTeLtTeMgDhDdPpSvGdSqTfNaVeMpNdEnArYvIsEvSnMlGrKvAvVlDvRvLcVvAvEcKvDvSrIhTaGeVyVeVyAaSyApKhKqTfFgFhAdGyGhDdVlKvTpMlIlQpAqRaPpEvDnAlGvDsVlFlNrTsVlEvTsIlKqRvQsLlRqTsLvElTqLsGlKhPaVyVeAyAlIgNnGaAaAqLeGqGvGrLlElIsArLlAsCgHqHaRyIeAyAeDqVdKpGrSgQkLyGaLyPqEqVvTlLlGlLfLwPsGlGnGcGl...
GSSHHHHHMPDNTIQWDKDADGIVTLTMDDPSGSTNVMNEAYIESMGKAVDRLVAEKDSITGVVVASAKKTFFAGGDVKTMIQARPEDAGDVFNTVETIKRQLRTLETLGKPVVAAINGAALGGGLEIALACHHRIAADVKGSQLGLPEVTLGLLPGGGGVTRTVRMFGIQNAFVSVLAQGTRFKPAKAKEIGLVDELVATVEELVPAAKAWIKEELKANPDGAGVQPWDKKGYKMPGGTPSSPGLAAILPSFPSNLRKQLKGAPMPAPRAILAAAVEGAQVDFDTASRIESRYFASLVTGQVAKNMMQAFFFDLQAINA...
7O4S_3_k12
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GKAVAAIVGPGNIGTDLLIKLQRSEHIEVRYMVGVDPASEGLARARKLGVEASAEGVDWLLEQDELPDLVFEATSAKAHLANAPRYAEAGITAIDLTPAAVGPLVCPPVNLTEHLDAPNVNMITCGGQATIPIVHAVSRVVPVAYAEIVAAIASRSAGPGTRANIDEFTETTAAAIEQVGGAARGKAIIILNPVEPPMIMRDTVYCAIPPDADTDAITASIEEMVAEVARYVPGYTLRTEPQYDQPRDIWKGMARVAVFLEVRGNGDYLPPWAGNLDIMTAAAARVGELLAQAP
4LRS_1_k12
1
-9.5
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174
Q96IY4
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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7NEU_1_k12
0
-2.5
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679
P01854
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGvKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSvEvDcMqLqNpPhNpYsEvDvLsLcIvRvKdSdNqHvNrFiLwViQqArGpNhVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKaFfVdRaIdQdPaGlQaTkFwSkVwLqAfCdYaNnGrShPtSdGdViYgQiCwAtMqRfPnNlFrTwItKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYvDgCyVtShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GBH_1_k12
0
-2
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49835969
P43813
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Cc1ccc(Cn2cc(C(N)=O)ccc2=O)c(C)c1
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4UCV_1_k12
1
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s578
Q8IBS5
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CCCO[C@@H]1O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@H](O)[C@H](OCC3=CN(Cc4ccccc4)NN3)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
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4Q1P_1_k12
2
-6
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8117
Q89YS5
[OH0][Branch1][Branch1][CH2][CH2][OH0][H][CH2][CH2][OH0][H]
OCCOCCO
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QMNVIYIMSDDHTSQAIGAYGSRLAVLNPTPTIDELARDGMLFENCFCTNSISTPSRACIMTGQYSHRNKVLTLDEVLQPDQEYLVDEFHNMGYQTAMIGKWHLGCEPSHFDYYSVFNGHGGQGEYFDPTFLTSDVTDKKWPNNQIKKMGYSSDIVTNLAIDWLKNRRDKSKPFFMMHHYKAPNDMFEYAPRYEYYLDDVEVPVPLSLFDTDKWGSEGTRGKNDSLRHFIGTSVSSRHEIRNYVMEYKCNTGDEMENTYLAYQHYLKSYLRCVKGVDDNLKRLFDYLKKEGLWENTIIVYTGDQGMMLGEHDLQDKRWMY...
7SNO_2_k12
0
-3.1
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4MB8_1_k12
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8117
A4D1P6
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7O3Q_2_k12
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447315
P0DTC1
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7ST4_1_k12
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174
P06737
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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LQLSLPVHLPDDETFTSYYPAAGNDELIGALKSAASGDGVQAIYLWGPVKSGRTHLIHAACARANELERRSFYIPLGIHASISTALLEGLEQFDLICIDDVDAVAGHPLWEEAIFDLYNRVAEQKRGSLIVSASASPMEAGFVLPDLVSRMHWGLTYQLQPMMDDEKLAALQRRAAMRGLQLPEDVGRFLLNRMARDLRTLFDVLDRLDKASMVHQRKLTIPFVKEMLRLPLQLSLPVHLPDDETFTSYYPAAGNDELIGALKSAASGDGVQAIYLWGPVKSGRTHLIHAACARANELERRSFYIPLGIHASISTALLEG...
3BOS_1_k12
0
-2.3
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13023332
P31808
[CH1][=CH1][CH0][=CH0][Branch1][Branch1][CH1][=CH1][Ring1][=Branch1][CH0][=CH0][Branch2][Ring1][C][OH0][CH2][C@H1][Branch1][O][CH2][NH0][Branch1][C][H][C@H1][Branch1][C][CH3][CH3][OH0][H][CH1][=CH1][CH1][=CH0][Ring1][P][NH0][Ring2][Ring1][=Branch1][H]
CC(C)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
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5D5A_2_k12
1
-10
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174
P43379
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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PFTADKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTGAGISTASGIPDFRGPHGVWTMEERGLAPKFDTTFESARPTQTHMALVQLERVGLLRFLVSQNVDGLHVRSGFPRDKLAELHGNMFVEECAKCKTQYVRDTVVGTMGLKATGRLCTVACRGELRDTILDWEDSLPDRDLALADEASRNADLSITLGTSLQIRPSGNLPLATKRRGGRLVIVNLQPTKHDRHADLRIHGYVDEVMTRLMKHLGLEIPAWDGPRVLERALPPLPRPPTPKLEKGKCGLPEIFDPPEELERKVWELARLVWQSSSVVFHTG...
5MGN_1_k12
0
-2.6
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753
P00929
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
PdNdIqPdPdPqFdTfAdPdYqAfPdDaDqAlEvIvAcAvRvLlLlPvAvSpHdLdSdPpPvQlElAvRlIlHlRvTqAlTlRlLlIlEvAlIvRpKpLlGdGfVlElDrMlLcRvEvFlAvLdSdTlKlElGsLlAlLlMlVlLlAlEvAlLlLvRpVqPpDdAvRvTvAsDvQcFcIlEpDpKpLqGlEqGdDcFqIvHvHsEsTlKqSsTlAlFcLlVlNfAvSvAsWdAdRdVdIdQdPgGdEdTqPqDfGwTsIsGsRvLsVcKvRvLpGnAsPvAvVsRsTvAsTsRvQsAsMnRvLhMcGvNqHfFaVqLeGd...
PNIPPPFTAPYAPDDAEIAARLLPASHLSPPQEARIHRTATRLIEAIRKLGGVEDMLREFALSTKEGLALMVLAEALLRVPDARTADQFIEDKLGEGDFIHHETKSTAFLVNASAWARVIQPGETPDGTIGRLVKRLGAPAVRTATRQAMRLMGNHFVLGETIEQALERGKPRSGQKTRYSFDMLGEGARTAADARRYFDAYASAIETIGKAAGNHALPDRPGISVKLSALHPRFEAISRARVMVELVPQLLDLAQRAKAHDLNFTVDAEEADRLELSLDVIAATLADPSLKGWDGFGLAIQAYQKRASAVIDYVDALAR...
3HAZ_2_k12
0
-3
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s884
Q47PU3
[CH1][Branch1][N][CH0][=CH1][CH1][=CH1][CH0][Branch1][C][ClH0][=CH1][Ring1][#Branch1][NH0][Branch1][C][H][CH0][Branch1][C][CH3][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][NH0][Ring2][Ring1][C][H]
CC1=C(C(=O)O)NC(c2cccc(Cl)c2)N1
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LPPGWEKAMSRSSGRVYYFNHITNASQWERPSEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMAKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
2XP6_1_k12
2
-6.4
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174
P16184
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6H8X_1_k12
0
-2.7
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8172
A7QEU4
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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3FD0_3_k12
0
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s598
P82995
[NH0][Branch2][Ring1][C][CH0][=Branch1][C][=OH0][NH0][Branch1][C][H][CH2][C@][Branch1][C][CH3][Branch1][C][FH0][FH0][CH2][CH0][=CH0][Branch2][Ring1][N][CH0][=CH0][Branch1][=C][OH0][CH2][CH2][NH0][NH0][Branch1][C][H][CH2][CH1][=CH1][Ring1][=Branch1][CH1][=CH0][Branch1][C][ClH0][CH1][=CH0][Ring1][S][ClH0][NH0][Branch1][C...
CC(F)(F)CNC(=O)N1C=C2NC(N)NC(c3c(Cl)cc(Cl)cc3OCCN3C=CCN3)=C2C1
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3R4P_1_k12
1
-9.6
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753
P50024
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
PdHdKkSdSwLaPaEqGaIdRdPaSfTkVkLkRkIfRkGfLaVfPaPqNpAfSfRkFwHwVkNwLqLfClGdEpEdQpGlSgDwAtAfLwHiFwNmPfRgLdDvTvSqEwViVwFiNwSiKaEdQpGnSrWiGdRdEiEdRiGwPdGgVgPpFhQdRrGgQdPiFwEmVwLmIwIgAgShDpDfGaFtKfAiVdViGdDhAgQtYtHdHgFdRgHtRdLdPdLsAsRrVgRtLmVmEdViGdGgDrViQdLtDdSdViRdImFd
PHKSSLPEGIRPSTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFNPRLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVVGDAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF
6VTR_1_k12
0
-3.3
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s159
P0C0Y9
[CH2][Branch2][Ring2][C][CH0][Branch1][C][CH3][=CH1][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH0][=Branch1][C][=OH0][C@][Branch1][C][CH3][Branch1][C][CH3][OH0][CH3][CH2][CH2][CH2][CH0][Branch1][C][CH3][=CH1][CH2][CH2][C@H1][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][...
COC(C)(C)C(=O)CC=C(C)CCC=C(C)CCC=C(C)CCCCC(C)=CCC[C@H](C)CCC=C(C)CCC=C(C)C
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3V3Z_6_k12
1
-9.1
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s232
P07206
[NH0][Branch2][Ring1][O][CH0][=Branch1][C][=OH0][CH0][=CH1][CH1][=CH0][Branch1][=N][OH0][CH2][CH2][CH2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH1][=CH1][Ring1][S][CH2][C@H1][Branch1][O][CH0][=Branch1][C][=OH0][OH0][C@H1][Branch1][C][CH3][CH3][CH0][=CH0][Branch1][N][C@][Branch1][C][CH3][Branch1][C][CH3][CH2][Ri...
CC(C)OC(=O)[C@H]1CN(C(=O)c2ccc(OCCCN3CCOCC3)cc2)CC(C)(C)c2c1[nH]c1cc(F)ccc21
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SHGELTPDQQTLLHFIMDSYNKQSAEENFLILTEMATNHVQVLVEFTKKLPGFQTLDHEDQIALLKGSAVEAMFLRSAEIFNKKLPSGHSDLLEERIRNSGISDEYITPMFSFYKSIGELKMTQEEYALLTAIVILSPDRQYIKDREAVEKLQEPLLDVLQKLCKIHQPENPQHFACLLGRLTELRTFNHHHAEMLMSWRVNDHKFTPLLCEIWDV
3L1B_1_k12
1
-11.8
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8172
P71016
[CH2][Branch1][=Branch1][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCO
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4QTO_1_k12
0
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s693
P06971
[C@@H1][Branch1][Ring2][CH2][OH0][H][CH2][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][=Branch2][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][H][OH0][Ring2][Ring1][Ring1].[OH1][H]
O.OC[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]([C@H](O)CO)O1
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2GRX_4_k12
0
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174
Q8I8I2
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6B0O_1_k12
0
-2
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174
P07700
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
MdRqAeLeVeTeGvAcAlGaFdIlGnSvTvLlVvDvRvLcLvAvDvGpHySaVyVeGyLeDeNqFpApTpGgRdAvTvNsLvEvHvLcAvDvNpSpArHyVdFyVdEyAdDqIlVlTdAdDpLlHlAvIvLcEqQvHrRvPgEqVeVyFeHyLdAwAaQdIpDdVqRlRvScVvAvDpPlQpFvDrAlAsVrNlVaInGsTlVlRsLnAlEvAsAcRlQvTrGnVhRqKeIyVeHaTeSaSaGlGfSfIqYqGfTpPwPpEdYpPpTdPeEqTpAtPdTgDdPgAqStPsYnAnAvGsKsVvAnGsElIvYsLnNlTvFs...
MRALVTGAAGFIGSTLVDRLLADGHSVVGLDNFATGRATNLEHLADNSAHVFVEADIVTADLHAILEQHRPEVVFHLAAQIDVRRSVADPQFDAAVNVIGTVRLAEAARQTGVRKIVHTSSGGSIYGTPPEYPTPETAPTDPASPYAAGKVAGEIYLNTFRHLYGLDCSHIAPANVYGPRQDPHGEAGVVAIFAQALLSGKPTRVFGDGTNTRDYVFVDDVVDAFVRVSADVGGGLRFNIGTGKETSDRQLHSAVAAAVGGPDDPEFHPPRLGDLKRSCLDIGLAERVLGWRPQIELADGVRRTVEYFRH
7YS9_3_k12
0
-3.1
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0...
753
P12337
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdDdKlEaLaKaFeLeVeVeDaDqQdSpTvMvRsRvIvVvRqNvLlLnKvEvLvGnFrNdNrVyEhEyAaEnDaGlVvDrAvLvNvKvLcQvAvGdGrYhGqFaVyIeSdDeWaKdMgPpNpMhDgGpLlErLsLlKlTvIqRcAvDdGpAvMrSnApLrPaVyLeMyVeTyAqYdAdKdKpEvNvIvIvAsAsAvQvAsGpAhSlGyYyVhVhKpPpFdTdAsAvTvLvEvEvKsLvNvKvIsFcEvKvLvGvMd
ADKELKFLVVDDQSTMRRIVRNLLKELGFNNVEEAEDGVDALNKLQAGGYGFVISDWKMPNMDGLELLKTIRADGAMSALPVLMVTAYAKKENIIAAAQAGASGYVVKPFTAATLEEKLNKIFEKLGM
5D2C_2_k12
0
-1.8
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
753
Q9H7Z6
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
KdYfVaDaKwIeHaIeGdNnYdEiIdDgAfWdYdFgSfPpFdPpEpDvYlGgKvQaPpKyLwWyLaCyEqYfCqLlKdYiMdKrYdEvKvSvYnRvFvHcLvGvQpCpQpWgRqQhPyPdGaKaEfIqYfRdKdSpNfIkStVkHhEkVaDaGcKvDvHnKvIvYsCqQlNsLqCqLrLvAqKcLsFpLdDpHpKdTdLdYrFrDpVrErPqFkViFkYiIwLiTfEgVdDdRpQrGgAtHgItVfGwYiFfSiKaEgKpEdSdPpDvGqNaNlVtSeCdItMdIgLgPpPvYcQpRpRpGqYvGvRlFaLrIvAlFvSs...
KYVDKIHIGNYEIDAWYFSPFPEDYGKQPKLWLCEYCLKYMKYEKSYRFHLGQCQWRQPPGKEIYRKSNISVHEVDGKDHKIYCQNLCLLAKLFLDHKTLYFDVEPFVFYILTEVDRQGAHIVGYFSKEKESPDGNNVSCIMILPPYQRRGYGRFLIAFSYELSKLESTVGSPEKPLSDLGKLSYRSYWSWVLLENLRDFTLSIKDLSQMTSITQNDIISTLQSLNMVKYWKGQHVICVTPKLVEEHLKSAQYKKPPITVDSVCLKWAP
6OWI_2_k12
0
-3.5
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446996
P24093
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OC[C@H]1OC[C@H](O)[C@@H](O)[C@H]1O
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1V00_1_k12
2
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62551
P02699
[CH2][Branch1][=Branch2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCO
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5H6H_2_k12
0
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149747430
P42196
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4GYC_2_k12
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753
P29717
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6HJT_1_k12
0
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440641
P00636
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O=P(O)(O)OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O
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2F3D_2_k12
1
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s735
Q06121
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2BKA_3_k12
1
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s1000
P00396
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5X19_7_k12
2
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174
P29274
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6S56_1_k12
0
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753
A0A4P7TN82
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
DdWaGaYcDdDpKvNrGrPlEvQpWcScKvLvYaPvIcAsNqGpNqNfQaSdPdVaDeIaKeTpSvEqTaKaHaDdTpSqLfKfPfIkSdVwSqYaNdPqAqTqAfKwEkIwIaNaVaGlHlSwFiHkVgNfFgEnDfNqDdNaRrStVwLiKdGtGgPpFdSpDaSiYwRtLwFtQiFkHtFkHfWaGaSlTaNqEqHaGtSdEaHyThVyDnGpVgKhYgSgAmEkLiHkVtAkHtWfNgSvApKvYdSrSdLlAvEvAlAqSqKaAqDqGtLmAeViIeGiVaLgMeKhVaGdEdAaNdPvKlLcQvKlVvLlDvAc...
DWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
6FAG_1_k12
0
-2.9
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s540
Q01063
[NH0][Branch1][C][H][Branch2][Ring1][Branch2][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][CH3][CH0][Branch1][=Branch2][OH0][C@H1][CH2][CH2][CH2][CH2][Ring1][Branch1][=CH1][Ring1][=C][OH0][CH2][CH0][Branch1][#C][NH0][CH2][C@H1][Branch1][C][CH3][OH0][C@H1][Branch1][C][CH3][CH2][Ring1][Branch2][=OH0]
COc1ccc(CNOCC(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1OC1CCCC1
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VKTEQEDVLAKELEDVNKWGLHVFRIAELSGNRPLTVIMHTIFQERDLLKTFKIPVDTLITYLMTLEDHYHADVAYHNNIHAADVVQSTHVLLSTPALEAVFTDLEILAAIFASAIHDVDHPGVSNQFLINTNSELALMYNDSSVLENHHLAVGFKLLQEENCDIFQNLTKKQRQSLRKMVIDIVLATDMSKHMNLLADLKTMVETKKVTSSGVLLLDNYSDRIQVLQNMVHCADLSNPTKPLQLYRQWTDRIMEEFFRQGDRERERGMEISPMCDKHNASVEKSQVGFIDYIVHPLWETWADLVHPDAQDILDTLEDNR...
6F6U_1_k12
1
-9.5
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s717
P0DTC1
[C@@H1][Branch2][Ring1][=C][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@@][=Branch1][C][=OH0][Branch1][Ring1][OH0][H][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][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][...
NC1=C2NCN([C@@H]3O[C@@H](CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]3O)C2NCN1
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MAPPLVVVGSANADIYVEIERLPKEGETISAKTGQTLAGGKGANQAACGAKLMYPTYFVGRLGEDAHGKLIAEALGDDGCGVHLDYVRSVNNEPTGHAVVMLQSDGQNSIIIVGGANMKAWPEIMSDDDLEIVRNAGIVLLQREIPDSINIQVAKAVKKAGVPVILDVGGMDTPIPNELLDSIDILSPNETELSRLTGMPTETFEQISQAVAKCHKLGVKQVLVKLGSKGSALFIQGEKPIQQSIIPAAQVVDTTGAGDTFTAAFAVAMVEGKSHEECLRFAAAAASLCVQVKGAIPSMPDRKSVLKLLKFSI
6ILS_1_k12
1
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867
P04642
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4AJL_2_k12
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445184
P39075
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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5SZQ_1_k12
0
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176
P29401
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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3OOY_2_k12
0
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87505
O95180
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CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
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8H9X_3_k12
2
-5
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174
P0C6U8
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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6OZF_3_k12
0
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753
P12821
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6PIZ_2_k12
0
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180
P04191
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][CH3]
CC(C)=O
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6MHD_2_k12
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2093
P11169
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7O8L_3_k12
1
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444205
P53686
[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]
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7AU7_2_k12
0
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174
Q7N562
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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NRDDLNIRTYGATETSSLIMLRARGTASAPAAVQTGDRLGGVLFRGWNGTAWMGSGQILSVAEENFTTAVKTNLQFHVGGAGEAMRISNTGNVGIGTTTTTEKLNVQGNVAVSGEITSVRSWGIKRGPTSFSANYINVWNSGYHVGSSIDCTTSTTGCRILKAGTYEIRCVQRAGTSGNSVYVGIALNGDRTALESRNDVLWNHSHTAYSGSYTESNFMGTLSANDLITCGAPVNTMAADLVYAVPAYNGTMQIKRVDNRDDLNIRTYGATETSSLIMLRARGTPAAVQTGDRLGGVLFRGWNGTAWMGSGQILSVAEEN...
8ONF_1_k12
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5LKV_1_k12
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7YXR_1_k12
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P56817
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439846
573344
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7F6N_3_k12
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753
P60016
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2YGF_1_k12
0
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174
P9WQD9
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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5PI6_1_k12
0
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s709
P43496
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8PT5_2_k12
1
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4867
Q6DN04
[CH2][Branch1][#C][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
OCCOCCOCCOCCOCCOCCOCCOCCOCCO
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AGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPSAGITGTWYNQLGSTFIVTAGADGALTGTYESAVGNAESRYVLTGRYDSAPATDGSGTALGWTVAWKNNYRNAHSATTWSGQYVGGAEARINTQWLLTSGTTEANAWKSTLVGHDTFTKVKPS
4Y5D_4_k12
0
-3.7
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753
P13922
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3LWK_1_k12
0
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s665
O60885
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CC1C=C(c2ccccc2)N2NC(N)NC2N1
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4MEQ_1_k12
1
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