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
174
Q10471
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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GIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLTNKKVVNDLDESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYSLEDIAISFQG...
8CY4_1_k12
0
-2.2
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259994
P0A2K1
[C@@H1][Branch1][C][CH3][Branch1][Ring2][CH2][OH0][H][OH0][H]
C[C@@H](O)CO
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6AC2_1_k12
0
-3
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753
Q28943
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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SGKIIGIDLGTTNSCVAIMDGTTPRVLENAEGDRTTPSIIAYTQDGETLVGQPAKRQAVTNPQNTLFAIKRLIGRRFQDEEVQRDVSIMPFKIIAADNGDAWVEVKGQKMAPPQISAEVLKKMKKTAEDYLGEPVTEAVITVPAYFNDAQRQATKDAGRIAGLEVKRIINEPTAAALAYGLDKGTGNRTIAVYDLGGGAFDISIIEIDEVDGEKTFEVLATNGDTHLGGEDFDSRLINYLVEEFKKDQGIDLRNDPLAMQRLKEAAEKAKIELSSAQQTDVNLPYITADATGPKHMNIKVTRAKLESLVEDLVNRSIEPL...
4JNE_1_k12
0
-3.6
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s706
P11838
[NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH0][CH2][CH1][=CH0][Branch2][Ring1][Ring1][CH2][OH0][CH0][=CH1][CH1][=CH0][Branch1][#Branch1][CH2][NH0][Branch1][C][CH3][CH3][CH1][=CH1][Ring1][#Branch2][CH1][=CH0][Ring2][Ring1][#Branch2][Ring2][Ring1][C]
CN(C)Cc1ccc(OCC2=CCC3=CC=C(N)NC3=C2)cc1
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5G6N_1_k12
1
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753
Q96LA8
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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4HC4_1_k12
0
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176
P84751
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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4P3C_2_k12
0
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174
Q7NDN8
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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4G5F_4_k12
0
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753
Q9S850
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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5K3X_1_k12
0
-3.1
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679
P11838
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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4Y3X_3_k12
0
-2.5
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90655273
P06276
[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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7QHE_3_k12
0
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447053
Q8Y7F2
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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4BM7_4_k12
0
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s212
Q28807
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6LFL_1_k12
1
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753
Q7VJB9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2Z1C_1_k12
0
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44176350
P06010
[CH2][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][OH0][Ring1][S]
O=C(O)[C@H]1OC[C@H](O)[C@@H](O)[C@@H]1O
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KFKNSTYSRSSVDVLYTFANCSGLDLIFGLNALLRTADLQWNSSNAQLLLDYCSSKGYNISWELGNEPNSFLKKADIFINGSQLGEDFIQLHKLLRKSTFKNAKLYGPDVGQPRRKTAKMLKSFLKAGGEVIDSVTWHHYYLNGRTATREDFLNPDVLDIFISSVQKVFQVVESTRPGKKVWLGETSSAYGGGAPLLSDTFAAGFMWLDKLGLSARMGIEVVMRQVFFGAGNYHLVDENFDPLPDYWLSLLFKKLVGTKVLMASVQGSKRRKLRVYLHCTNTDNPRYKEGDLTLYAINLHNVTKYLRLPYPFSNKQVDKY...
5E98_3_k12
0
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6027
P26514
[C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][CH2][OH0][Ring1][=C]
O[C@@H]1[C@@H](O)[C@@H](O)OC[C@H]1O
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1V6U_1_k12
0
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s191
O14757
[NH0][Branch1][C][H][CH1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)C(C)NC=C1COP(=O)(O)O
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6O12_1_k12
2
-5.9
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444205
P84751
[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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IVLTQTPAIMSASLGERVTMTCTANSSVSSNYFHWYQQKPGSSPKLWIYSTSNLASGVPTRFSGSGSGTSYSLTLSSMEAEDAATYYCHQYHRSPPTFGSGTKLKMKRADAAPTVSIFPPSSEQLTSGGASVVCFLNNFYPKDINVKWKIDGSERQNGVLNSWTDQDSKDSTYSMSSTLTLTKDEYERHNSYTCEATHKTSTSPIVKSFNRNEC
5L9D_1_k12
0
-3
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1T8U_2_k12
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753
P05413
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7AB7_2_k12
0
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6503
552262
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NC(CO)(CO)CO
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4I4R_1_k12
0
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s1007
Q9NZJ5
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4X7K_3_k12
1
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753
P02699
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8HCK_2_k12
0
-2.6
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90655273
Q6P988
[CH2][Branch1][=Branch2][NH0][CH2][CH2][OH0][CH2][CH2][Ring1][=Branch1][CH2][S@][Branch1][C][OH1][Branch1][Ring1][OH0][H][OH0][H]
OS(O)(O)CCN1CCOCC1
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6PHR_1_k12
2
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76935
Q8JUX6
[C@@H1][Branch1][Ring1][OH0][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][Ring1][P]
CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
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ADCAKGKIEFSKYNEDDTFTVKVDGKEYWTSRWNLQPLLQSAQLTGMTVTIKSSTCESGSGFAEVQFNND
4M1U_2_k12
0
-4.9
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445184
P11712
[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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QLRYSVVEESEPGTLVGNVAQDLGLKGTDLLSRRLRLGSEENGRYFSLSLVSGALAVSQKIDRESLCGASTSCLLPVQVVTEHPLELTRVEVEILDLNDNSPSFATPDREMRISESAAPGARFPLDSAQDPDVGTNTVSFYTLSPNSHFSLHVKTLKDGKLFPELVLEQQLDRETQARHQLVLTAVDGGTPARSGTSLISVIVLDVNDNAPTFQSSVLRVGLPENTPPGTLLLRLNATDPDEGTNGQLDYSFGDHTSETVKNLFGLDPSSGAIHVLGPVDFEESNFYEIHARARDQGQPAMEGHCVIQVDV
4ZPO_2_k12
0
-3.7
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90263
Q6GDZ1
[OH0][Branch1][Branch2][CH2][CH2][OH0][CH2][CH2][OH0][CH3][CH2][CH2][OH0][CH2][CH2][OH0][H]
COCCOCCOCCOCCO
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7MDE_3_k12
0
-3.9
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753
P39051
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
AdLaReVeLeVeDeMpDdGpVaLfAfDpFlEpGvGlFlLvRvKvFlRcAvRvFpPvDpQdPdFaIaAdLqElDrRdRaGdFpWdVrSlEvQvYlGcRvLrRdPpGpLrSsEvKsAsIvSvIqWvElSdKaNpFsFlFlEpLtEdPtLdPpGlArVlEvAlVvKvEvMqAcSpLdQpNpTyDhVyFaIhCeTySePfIdKpMnFnKpYhCgPvYvEsKvYlAvWnVcEcKvYrFpGnPdDvFnLsEvQrIyVdLyTdRpDaKpTqVpVpSaAgDaLeLyIeDeDqRdPdDdIhTdGdAdEhPpTdPrSnWyEqHyVaLhFe...
ALRVLVDMDGVLADFEGGFLRKFRARFPDQPFIALEDRRGFWVSEQYGRLRPGLSEKAISIWESKNFFFELEPLPGAVEAVKEMASLQNTDVFICTSPIKMFKYCPYEKYAWVEKYFGPDFLEQIVLTRDKTVVSADLLIDDRPDITGAEPTPSWEHVLFTACHNQHLQLQPPRRRLHSWADDWKAILDSKRP
6G22_2_k12
0
-3.3
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753
P93330
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
EdVdLwFdQdGdPpGpVfKtLdSdTpKlGlRlYvAlMqVlAlMvAlDvLqAlEpAdPdAqDpKaLaVdTaLlSvEnIsAcEvRqQcSvInSdLsTvYsLvEvQvLlFvVvKlLcRvRvAlKqLqVkEdSwVdRdGdPvGrGtGhYiRhLgAsRdAhPpDvApIdRdVsSrDsVsLrQvAsVrDcGpShRpAsQvSvMvTvNvRvLvWsEvGvLvSvAvHvVvYvVvFvLvHvQvTdRdLpSvDcVvVvTvNvQvLd
EVLFQGPGVKLSTKGRYAMVAMADLAEAPADKLVTLSEIAERQSISLTYLEQLFVKLRRAKLVESVRGPGGGYRLARAPDAIRVSDVLQAVDGSRAQSMTNRLWEGLSAHVYVFLHQTRLSDVVTNQL
7ZPN_1_k12
0
-2.7
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679
B2KI64
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
SdGaFdRdKqMdAaFdPdScGpKlVqElGlCqMwVkQwVkTaCaGdThTaTiLaNiGwLgWaLaDfDqVkVtYkCfPfRlHcVsIlCdTdSpEvDcMqLaNpPhNpYsEvDvLsLcIvRpKdSdNqHvNrFiLwViQgAdGpNhVdQtLwRrVfIdGdHwSdMdQqNaCgVmLiKiLtKgVtDpTgAtNrPpKsThPfKaYeKdFfVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQiCwAtMqRfPpNlFrTwIiKqGdSdFhLdNrGrSrCfGqStVwGtFwNdIdDdYpDgCyViShFtCh...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQCSGVT
7GCT_1_k12
0
-2
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s1
P06276
[C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][C@@H1][Branch1][=C][OH0][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@@H1][Ring2][Ring1][#Branch2][OH0][C@@H1][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H...
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8IRF_4_k12
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s16
Q6ZQ29
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8C0G_1_k12
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753
P40406
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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3SQM_3_k12
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79015
Q12068
[CH2][Branch1][Ring1][OH0][H][OH0][H]
OCO
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7FWH_1_k12
0
-2.4
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s197
P30043
[NH0][Branch1][C][H][CH0][Branch2][Ring2][=C][CH2][CH0][=CH0][Branch1][=Branch2][CH2][CH2][CH0][=Branch1][C][=OH0][OH0][H][CH0][Branch1][C][CH3][=CH0][Branch2][Ring1][Ring2][CH2][CH1][CH0][Branch1][Ring1][CH2][CH3][=CH0][Branch1][C][CH3][CH0][=Branch1][C][=OH0][NH0][Ring1][=Branch2][H][NH0][Ring2][Ring1][#Branch1][H][=...
CCC1=C(C)C(=Cc2[nH]c(Cc3[nH]c(CC4NC(=O)C(C)=C4CC)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O
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MAVKKIAIFGATGQTGLTTLAQAVQAGYEVTVLVRDSSRLPSEGPRPAHVVVGDVLQAADVDKTVAGQDAVIVLLGTRNDLSPTTVMSEGARNIVAAMKAHGVDKVVACTSAFLLWDPTKVPPRLQAVTDDHIRMHKVLRESGLKYVAVMPPHIGDQPLTGAYTVTLDGRGPSRVISKHDLGHFMLRCLTTDEYDGHSTYPSHQY
1HE2_1_k12
1
-9
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753
Q8BH60
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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GPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQQRGEIEFEVVYVGPIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQQRGEIEFEVVYV
4E35_1_k12
0
-3.4
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996
F8WCM5
[CH0][Branch1][Ring1][OH0][H][=CH1][CH1][=CH1][CH1][=CH1][Ring1][Branch2]
Oc1ccccc1
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GLLEQCCHSICSLYQLENYCNFVNQHLCGSHLVEALYLVCGERGFFYTPKT
3V19_1_k12
0
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8117
P12497
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OCCOCCO
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7LES_1_k12
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169299
Q8DIF8
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CCCCCCCCC=CCCCCCCCC(=O)OCCCO
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8E7Z_1_k12
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174
Q14126
[CH2][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCCO
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AWITAPVALREGEDLSKKNPIAKIHSDLAEERGLKITYKYTGKGITEPPFGIFVFNKDTGELNVTSILDREETPFFLLTGYALDARGNNVEKPLELRIKVLDINDNEPVFTQDVFVGSVEELSAAHTLVMKINATDADEPNTLNSKISYRIVSLEPAYPPVFYLNKDTGEIYTTSVTLDREEHSSYTLTVEARDGNGEVTDKPVKQAQVQIRILDVNDNIPVVENKVLEGMVEENQVNVEVTRIKVFDADEIGSDNWLANFTFASGNEGGYFHIETDAQTNEGIVTLIKEVDYEEMKNLDFSVIVANKAAFHKSIRSKYK...
5ERD_1_k12
0
-2.1
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753
Q86UY6
[C@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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7KD7_1_k12
0
-3.8
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s708
P0AEX9
[C@@H1][Branch1][=C][CH2][CH0][=CH1][CH1][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][Branch2][CH0][=Branch1][C][=OH0][NH0][Branch1][Ring2][CH2][CH1][=OH0][CH1][Branch1][#C][C@H1][Branch1][#Branch1][C@@H1][Branch1][C][CH3][OH0][H][NH0][Branch1][C][H][H][NH0][Ring2][Ring1][#Branch2][H]
C[C@@H](O)[C@H](N)C1N[C@H](Cc2ccc(O)cc2)C(=O)N1CC=O
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3OSQ_1_k12
2
-5.6
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15906
A8YYF9
[SH0][Branch1][Branch1][CH2][CH2][OH0][H][SH0][CH2][CH2][OH0][H]
OCCSSCCO
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MNIFEMLRIDEGLRLKIYKDTEGYYTAGIGHLLTKSPSLNAAKSELDKAIGRNTNGVATKDEAEKLFNQDVDAAVRGILRNAKLKPVYDSLDAVRRAALINMVFQMGETGVAGFTNSLRMLQQKRWDEAAVNLAKSRWYNQTPNRAKRVITTFRTGTWDAYKNL
249L_1_k12
0
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137566
Q5JCZ1
[CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH1][CH1][=CH0][Branch1][#Branch1][CH0][=Branch1][C][=OH0][OH0][H][CH1][=CH0][Ring1][=N][OH0][H]
Nc1ccc(C(=O)O)cc1O
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2HDR_1_k12
0
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445184
P29473
[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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SIPLGVIHNSTLQVSDVDKLVCRDKLSSTNQLRSVGLNLEGNGVATDVPSATKRWGFRSGVPPKVVNYEAGEWAENCYNLEIKKPDGSECLPAAPDGIRGFPRCRYVHKVSGTGPCAGDFAFHKEGAFFLYDRLASTVIYRGTTFAEGVVAFLILPQAKKDFFKCNPNLHYWTTQDEGAAIGLAWIPYFGPAAEGIYIEGLMHNQDGLICGLRQLANETTQALQLFLRATTELRTFSILNRKAIDFLLQRWGGTCHILGPDCCIEPDIVLTQSPSTLSASVGDRVTITCRASQSISSWLAWYQQKPGEAPKLLISDASSL...
6EA7_3_k12
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439357
P16442
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33032
P46849
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s254
O43570
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O=C1CN(CCOc2cc(Cl)cc(C3=CC(C4=CNC(O)NC4O)=CN(C4=CC=CNC4)C3O)c2)CCN1
SdGaFdRdKqMdAaFaPdScGvKlVqElGlCfMwVkQwVkTaCaGdTpTdTiLaNiGwLgWaLaDfDqVkViYkCfPfRlHcVrInCpTdSpMqLqNdPdNpYsEvDpIpRpKdSdNqHvNrFiLwVmQgArGpNpVdQtLwRgVfIpGdHwSdMdQqNaCrVmLiKiLtKgVtDpAtNrPpKsThPwKaYeKdFwVdRaIdQdPfGlQaTkFwSkVwLqAfCdYaNnGrSgPtSdGdViYgQmCwAtMcRfPpNlFrTwIiKqGdSdFdLdNpGrSrCfGrStVwGtFfNdIaDdYpDgCyVtShFtChYwMtHwHqMd...
SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSMLNPNYEDIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDWFLNRFTTTLNDFNLVAMKYYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGTILGSALLEDEFTPFDVVQCSGVTF
7M90_1_k12
1
-9.5
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753
P16330
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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AGMSLTQVSGPVYVVEDNYYVQENSMVYFGAKGVTVVGATWTPDTARELHKLIKRVSRKPVLEVINTNYHTDRAGGNAYWKSIGAKVVSTRQTRDLMKSDWAEIVAFTRKGLPEYPDLPLVLPNVVHDGDFTLQEGKVRAFYAGPAHTPDGIFVYFPDEQVLYGGCILKEKLGNLSFADVKAYPQTLERLKAMKLPIKTVIGGHDSPLHGPELIDHYEALIKAAPQS
3FAI_1_k12
0
-2.9
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11941
P29017
[CH3][CH0][=CH1][CH1][=CH0][Branch1][N][CH0][=CH1][CH1][=CH0][Branch1][C][CH3][CH1][=CH1][Ring1][#Branch1][CH1][=CH1][Ring1][=N]
Cc1ccc(-c2ccc(C)cc2)cc1
EdDpDpLlYlRvQcSqLlEvIlIlSlRvYlLlRcEvQlAaTcGvRvRlAlLnEvTlLlRvRvVvGlDcGvVlQcRvNvHcEvTvAvFlQvGvMvLlRvKpKvScFcSlRvVvMlVvHvVvFcKvDvGvVdTdNdWlGvRsIlVsTnLsIsSsFsGlAsFvVnAsKnHvLcKsSvVvNvQnEnSvFvInEsPvLsAsEnTsIsTsDcVsLcVcRvTpKcRvDvWvLcVvKvQcRvGhWsDvGnFvVsEvFvFrHvVpQdAdAvXvLvRvRvIvGvDvCvVvNvLvRvQvKvLvLvNd
EDDLYRQSLEIISRYLREQATGRRALETLRRVGDGVQRNHETAFQGMLRKKSFSRVMVHVFKDGVTNWGRIVTLISFGAFVAKHLKSVNQESFIEPLAETITDVLVRTKRDWLVKQRGWDGFVEFFHVQAAXLRRIGDCVNLRQKLLN
4G35_1_k12
0
-4.3
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s928
P29274
[CH0][=Branch1][C][=OH0][Branch1][O][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH1][=CH1][CH3][OH0][CH2][C@@H1][Branch1][Ring1][OH0][H][CH2][OH0][H]
CC=CCCCCCCCC(=O)OC[C@@H](O)CO
DdGdAdPdPpIvMvGvSlSvVvYlIlTvVlElLlAvIlAlVvLlAlIqLvGlNlVvLlVlCvWvAlVcWvLpNdSpNvLcQpNdVlTlNsYvFlVvVnSqLlAsAvAlDlInAcVcGsVvLqAlIsPvFlAvIsTvIlSvTqGlFdCkAdAqClHlGvClLlFcIsAlCqFpVnLqVlLsTlQlSlSnIlFlSsLlLlAvInAlIvDlRlYlIcAcIlRpIpPvLvRcYsNpGvLpVdTdGpTvRvAsKvGvIsIsAvIvCsWsVvLvSsFcAcIlGsLsTvPlMsLvGpWqNwNqClGvQpPaKpEvGvKqNcHvSvQn...
DGAPPIMGSSVYITVELAIAVLAILGNVLVCWAVWLNSNLQNVTNYFVVSLAAADIAVGVLAIPFAITISTGFCAACHGCLFIACFVLVLTQSSIFSLLAIAIDRYIAIRIPLRYNGLVTGTRAKGIIAICWVLSFAIGLTPMLGWNNCGQPKEGKNHSQGCGEGQVACLFEDVVPMNYMVYFNFFACVLVPLLLMLGVYLRIFLAARRQLERARSTLQKEVHAAKSLAIIVGLFALCWLPLHIINCFTFFCPDCSHAPLWLMYLAIVLSHTNSVVNPFIYAYRIREFRQTFRKIIRSHVLADLEDNWETLNDNLKVIEK...
6WQA_2_k12
0
-4.5
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79025
P10253
[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][Ring2][CH2][OH0][H][OH0][Ring1][P]
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
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5KZW_7_k12
2
-5.6
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131953425
P05164
[NH0][Branch1][C][H][Branch2][Ring1][Branch2][CH0][=CH1][CH1][=CH0][CH1][=CH1][NH0][Branch1][=Branch2][S@@][Branch1][C][CH3][=Branch1][C][=OH0][=OH0][CH0][Ring1][=Branch2][=CH1][Ring1][=N][CH0][=CH0][Branch1][Ring2][OH0][CH2][CH3][CH1][=CH1][CH0][Branch1][=Branch1][CH0][Branch1][C][CH3][=OH0][=CH1][Ring1][N]
CCOc1ccc(C(C)=O)cc1Nc1ccc2ccn(S(C)(=O)=O)c2c1
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5MMG_1_k12
1
-8.1
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s95
Q04609
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][CH0][=Branch1][=Branch2][=CH0][Ring1][Branch2][NH0][Branch1][C][H][H][NH0][Branch1][C][H][CH2][NH0][Ring1][#Branch2][C@@H1][OH0][C@H1][Branch1][Ring2][CH2][SH0][CH3][C@@H1][Branch1][Ring1][OH0][H][C@H1][Ring1][#Branch2][OH0][H]
CSC[C@H]1O[C@@H](N2CNC3=C(N)NCNC32)[C@H](O)[C@@H]1O
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MDYGMYFFEHVTPYETLVRRMERVIASGKTPFQDYFLFESKGFGKVLILDKDVQSTERDEYIYHETLVHPAMLTHPEPKRVLIVGGGEGATLREVLKHPTVEKAVMVDIDGELVEVAKRHMPEWHQGAFDDPRAVLVIDDARAYLERTEERYDVVIIDLTDPVGEDNPARLLYTVEFYRLVKAHLNPGGVMGMQAGMILLTHHRVHPVVHRTVREAFRYVRSYKNHIPGFFLNFGFLLASDAFDPAAFSEGVIEARIRERNLALRHLTAPYLEAMFVLPKDLLEALEKETMVSTDQNPFYVTPEGEARQAPY
3ANX_1_k12
2
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439352
Q16658
[C@H1][Branch1][Ring2][CH2][SH0][H][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring1][OH0][H][CH2][SH0][H]
O[C@H](CS)[C@@H](O)CS
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EAVQIQFGLINCGNKYLTAEAFGFKVNASASSLAKKQIWTLEQPPAGSAAVCLRSHLGRYLAADKDGNVTCEREVPGPDCRFLIVAHDDGRWSLQSEAHRRYFGGTEDRLSCFAQTVSPAEKWSVHIAMHPQVNIYSVTRKRYAHLSARPADEIAVDRDVPWGVDSLITLAFQDQRYSVQTADHRFLRHDGRLVARPEPATGYTLEFRSGKVAFRDCEGRYLAPSGPSGTLKAGKATKVGKDELFALEQSCAQVVLQAANERNVSTRQGMDLSANQDEETDQETFQLEIDRDTKKCAFRTHTGKYWTLTATGGVQSTASS...
4GOY_2_k12
0
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76458
P05024
[CH2][Branch1][N][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH2][CH3][OH0][CH2][CH2][OH0][CH2][CH2][OH0][CH2][CH2][OH0][H]
CCCCCCCCCCCCOCCOCCOCCO
KdEcRvDvMvDlEvLvKlKlEdVaSdMaDdDpHlKaLdSdLvDvEvLvHcRvKvYvGvTaDdLqSqRfGwLaTaPpAvRvAlAvEvIqLcAvRvDpGhPfNfAaLaTdPdPqPpTdTdPdEpWvVvKcFlCvRvQlLlFcGqGpFqSnMvLlLlWlIvGlAlIvLlClFvLvAlYvGvIlQvAvAvTdEdEdEdPcQvNvDnNsLnYvLrGsVvVvLsSvAvVlVsInIvTlGsCvFvSqYsYvQvElAvKvSlSvKvIvMvEvSvFlKdNdMdVdPfQaQwAwLwVfIgRhNrGnEdKiMdStIgNgAlErEsVgVgVa...
KERDMDELKKEVSMDDHKLSLDELHRKYGTDLSRGLTPARAAEILARDGPNALTPPPTTPEWVKFCRQLFGGFSMLLWIGAILCFLAYGIQAATEEEPQNDNLYLGVVLSAVVIITGCFSYYQEAKSSKIMESFKNMVPQQALVIRNGEKMSINAEEVVVGDLVEVKGGDRIPADLRIISANGCKVDNSSLTGESEPQTRSPDFTNENPLETRNIAFFSTNCVEGTARGIVVYTGDRTVMGRIATLASGLEGGQTPIAAEIEHFIHIITGVAVFLGVSFFILSLILEYTWLEAVIFLIGIIVANVPEGLLATVTVCLTLT...
4HYT_2_k12
2
-5.1
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176
P26392
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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8CTR_2_k12
0
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6320423
O15394
[CH2][Branch2][Ring1][Branch2][CH2][NH0][Branch1][C][H][C@H1][C@H1][CH2][C@@H1][CH2][C@H1][Branch1][Ring2][CH2][Ring1][=Branch1][CH2][C@H1][Ring1][=Branch2][CH2][Ring1][#Branch1][NH0][Branch1][C][H][CH2][CH1][=CH0][Branch1][C][CH3][CH2][CH2][CH1][=CH0][Branch1][C][CH3][CH3]
CC(C)=CCCC(C)=CCNCCN[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3
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4EA2_1_k12
1
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12005
P54378
[CH0][Branch1][C][BrH0][=CH1][CH0][Branch1][C][BrH0][=CH0][Branch1][Ring1][OH0][H][CH1][=CH1][Ring1][#Branch2]
Oc1ccc(Br)cc1Br
GdFlKvQvDvIlAvTvLcRvGvDvLvRlTvYlAlQlDvIlFvLvAlFlLcNvKvYpPvDvEvKcRvNlFpKvNvYcVpGpKaSdDsQvErLlKvSpMdAvKvFnGsDvHvTsEsKvVvFsNvLlMvMsEvVqAsDvRcAdTdDlClVqPgLdAlSvDsAlSlTvLvVlQpMpKpQsHcSpGpLdTaTlGvNsFlElKsLsFlVvAsLvVlEvYvMvRvAvSdGpQdSdFdDpSsQvSsWsDnRvFsGsKvNnLsVsSvAsLnSvSvAsGpMgKd
GFKQDIATLRGDLRTYAQDIFLAFLNKYPDEKRNFKNYVGKSDQELKSMAKFGDHTEKVFNLMMEVADRATDCVPLASDASTLVQMKQHSGLTTGNFEKLFVALVEYMRASGQSFDSQSWDRFGKNLVSALSSAGMK
7LZO_1_k12
2
-5.9
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5232593
Q12408
[NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH1][=CH1][Ring1][#Branch1]
C1=CNCN1
NdRqLqQaGlKaRfAeLeVfTeGpGcSlRwGfIlGnAvAlIlAqKvRvLnAlAvDnGhAyDaVyAeIyTeYdEaKpScApEvRsAnQvAvVsVqAvGvIsEvAvLvGvRhRhAyIyAyIhQhAaDqSlAlDdPlVvAsVlRlNvAvVlDvRvVsAcEvAvFsGvGfLhDaIeLyVeNaNeAdGaIdFaRdAfGdSaLpDvDpLdTdLpDvDnIlDsAsTrLcNsVrNlVpRvAsVlIvVsAnSvQvAsAnAvRvHgLhGaEaGlGgReIyVeSyTeGaSaCpLlAlTvRpVpPdDdAgGgMcSvLsYvAnAvSsKrAvAn...
NRLQGKRALVTGGSRGIGAAIAKRLAADGADVAITYEKSAERAQAVVAGIEALGRRAIAIQADSADPVAVRNAVDRVAEAFGGLDILVNNAGIFRAGSLDDLTLDDIDATLNVNVRAVIVASQAAARHLGEGGRIVSTGSCLATRVPDAGMSLYAASKAALIGWTQGLARDLGPRGITVNIVHPGSTDTDMNPADGAHADAQRSRMAIQQYGKADDVAALVAFVVGPEGRSINGTGLTIDGGANA
5U2W_2_k12
0
-3.1
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11197106
Q8N884
[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
NdLvLcEpElElSvAvVlLlGvQvAqVqTvNvLcMvLvSvGvDhNdVpNdNlKvNsIsIlLvSsLlIvHvSvLlEvTpTdSpDdIvLvKvAnDvVsIsRvKvTnLnEvIvVsLvRvYvTvAvDd
NLLEEESAVLGQAVTNLMLSGDNVNNKNIILSLIHSLETTSDILKADVIRKTLEIVLRYTAD
2OXL_1_k12
0
-4
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]
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[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,0,0,0,0]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0,0,1]
[0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1,0,0,1,1,0,0,1]
s605
P22557
[NH0][Branch2][Ring1][Branch1][C@H1][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch1][Ring2][CH2][OH0][H][OH0][Ring1][N][CH2][NH0][Branch1][C][H][CH0][=CH0][Branch1][#C][NH0][Branch1][C][H][CH2][CH2][CH0][=CH1][CH1][=CH1][CH1][=CH1][Ring1][=Branch1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H...
OC[C@H]1O[C@@H](N2CNC3=C(NCCc4ccccc4)NCNC32)[C@H](O)[C@@H]1O
GdIdYaYaTfPdKlIlIvVlDlYvIqVlKcKvTfLpKvNpHdDdIcIlKvNpPvYqPaRaIeLeDeIaSaCqGfClGnNsFnLpLvEvVnYlDvIvLnYlDvLvFlEvEvNcIqYvEvLnKlKvKvYdDpEvNvYcWrTdVsDlNnIsHlRlHrIcLfNpYgCyIyYaGyAeDhIqDdEpKvAsIqSvInLnKvDvSvLsTvNvKvKdVpVdNdDcLpDpEpSpDdIrKhIgNhLyFyCnCdDnSlLlKpKdKdWdRpYaKaFgDqYeIyVeGeNePdPdYwIdGwHdKvKgLdEdKpKvYvKvKvFvLcLcEvKpYvSv...
GIYYTPKIIVDYIVKKTLKNHDIIKNPYPRILDISCGCGNFLLEVYDILYDLFEENIYELKKKYDENYWTVDNIHRHILNYCIYGADIDEKAISILKDSLTNKKVVNDLDESDIKINLFCCDSLKKKWRYKFDYIVGNPPYIGHKKLEKKYKKFLLEKYSEVYKDKADLYFCFYKKIIDILKQGGIGSVITPRYFLESLSGKDLREYIKSNVNVQEIVDFLGANIFKNIGVSSCILTFDKKKTKETYIDVFKIKNEDICINKFETLEELLKSSKFEHFNINQRLLSDEWILVNKDDETFYNKIQEKCKYSLEDIAISFQG...
8CXY_2_k12
1
-9.3
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753
Q5KWI3
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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2DWU_1_k12
0
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176
W7JX98
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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5QGS_3_k12
0
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753
A0A0H2ZQB9
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6XJS_1_k12
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753
P03598
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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8D60_1_k12
0
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90655273
P29274
[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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MVLYFIGLGLYDERDITVKGLEIAKKCDYVFAEFYTSLMAGTTLGRIQKLIGKEIRVLSREDVELNFENIVLPLAKENDVAFLTPGDPLVATTHAELRIRAKRAGVESYVIHAPSIYSAVGITGLHIYKFGKSATVAYPRGNWFPTSYYDVIKENAERGLHTLLFLDIKAEKRMYMTANEAMELLLKVEDMKKGGVFTDDTLVVVLARAGSLNPTIRAGYVKDLIREDFGDPPHILIVPGKLHIVEAEYLVEIAGAPREILRVNV
2E16_2_k12
0
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444205
Q97RQ6
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CC(=O)N[C@H]1CO[C@H](CO)[C@@H](O)[C@@H]1O
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6FHV_1_k12
0
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P08648
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4OM8_1_k12
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2GPJ_1_k12
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Q9WYT0
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3N0B_2_k12
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445184
P11461
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OC[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O
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7BBV_1_k12
0
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444279
Q4LAB0
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CCCCCCCCCCCC[N+](C)(C)O
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2FKW_1_k12
2
-5.4
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176
Q9NZJ5
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
CC(=O)O
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DIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSSTNSQPWHFIVASTEEGKARVAKSAAGNYVFNERKMLDASHVVVFCAKTAMDDVWLKLVVDQEDADGRFATPEAKAANDKGRKFFADMHRKDLHDDAEWMAKQVYLNVGNFLLGVAALGLDAVPIEGFDAAILDAEFGLKEKGYTSLVVVPVGHHSVEDFNATLPKSRLPQNITLTEVMDIISVALKRHSTKAFDASKKLTPEQAEQIKTLLQYSPSSTNSQPWHFIVASTEEGKARVAKSAAGNYVFNERKMLDASHVVVFCAKTAMDDVWLKLVVDQEDA...
1YLR_1_k12
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s74
Q9GKX6
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6OI6_2_k12
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447053
P06276
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C[C@@H]1OC[C@@H](O)[C@H](O)[C@@H]1O
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7QBR_3_k12
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s690
P15291
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1T40_1_k12
1
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176
P77258
[CH0][=Branch1][C][=OH0][Branch1][C][CH3][OH0][H]
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3P8J_2_k12
0
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8172
Q9HCN6
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OCCOCCOCCO
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5OU9_2_k12
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444205
Q05397
[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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APELLGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLTCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLS
4X4M_2_k12
0
-4.7
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s2
P66011
[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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TEIDFDIAIIGAGPAGMTAAVYASRANLKTVMIERGIPGGQMANTEEVENFPGFEMITGPDLSTKMFEHAKKFGAVYQYGDIKSVEDKGEYKVINFGNKELTAKAVIIATGAEYKKIGVPGEQELGGRGVSYCAVCDGAFFKNKRLFVIGGGDSAVEEGTFLTKFADKVTIVHRRDELRAQRILQDRAFKNDKIDFIWSHTLKSINEKDGKVGSVTLTSTKDGSEETHEADGVFIYIGMKPLTAPFKDLGITNDVGYIVTKDDMTTSVPGIFAAGDVRDKGLRQIVTATGDGSIAAQSAAEYIEHLNDQ
4GCM_3_k12
0
-3.9
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s734
P28793
[C@@H1][Branch2][Ring1][=C][NH0][CH1][NH0][Branch1][C][H][CH2][NH0][Branch1][C][H][CH0][Branch1][=Branch1][NH0][Branch1][C][H][H][=CH0][Ring1][O][NH0][Branch1][C][H][CH2][Ring1][#C][C@H1][Branch1][Ring1][OH0][H][C@H1][Branch1][Ring1][OH0][H][C@@H1][Branch2][Ring2][Branch1][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][Rin...
NC1=C2NCN([C@H]3O[C@H](CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]4OC[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)C2NCN1
MdIlYdEdGdKqAaIwTdVwTaAaLdEpSpGlIeViEeLiKeFgDeLnKhGpEdSqVaNaKaFaNeRpLrTvLlNvEvLlRqQvAvVlDvAsIsKlApDdApSsVhKaGeVyIeVySaSyGpKhDqVfFgIyVdGaAhDlIcTpErFcVvEvNlFqKpLdPdDlAvEsLnIlAvGvNlLvEvAsNlKvIsFlSqDsFvElDvLrNpVhPaTyVeAyAlIgNlGaIeAqLeGqGvGsLlElMsCrLlAsAgDlFaRyVeMyAeDqShAyKkIyGaLyPlElVlKlLlGlIfYwPrGqFnGcGlTlVqRrLvPcRlLqIlGh...
MIYEGKAITVTALESGIVELKFDLKGESVNKFNRLTLNELRQAVDAIKADASVKGVIVSSGKDVFIVGADITEFVENFKLPDAELIAGNLEANKIFSDFEDLNVPTVAAINGIALGGGLEMCLAADFRVMADSAKIGLPEVKLGIYPGFGGTVRLPRLIGVDNAVEWIASGKENRAEDALKVSAVDAVVTADKLGAAALDLIKRAISGELDYKAKRQPKLEKLKLNAIEQMMAFETAKGFVAGQAGPNYPAPVEAIKTIQKAANFGRDKALEVEAAGFAKLAKTSASNCLIGLFLNDQELKKKAKVYDKIAKDVKQAAVL...
1WDL_2_k12
1
-7.6
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OCCOCCOCCO
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5NC6_2_k12
2
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s686
P00489
[NH0][Branch1][C][H][C@@H1][Branch1][C][CH3][CH0][Branch1][Ring1][OH0][H][=CH0][Branch1][C][CH3][CH0][Branch1][N][CH2][OH0][P@@][=Branch1][C][=OH0][Branch1][C][OH1][OH0][H][=CH1][Ring2][Ring1][C]
CC1=C(O)[C@H](C)NC=C1COP(=O)(O)O
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3AMV_4_k12
1
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284
P24863
[CH1][=Branch1][C][=OH0][OH0][H]
O=CO
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4F6W_1_k12
0
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177
P04624
[CH1][=Branch1][C][=OH0][CH3]
CC=O
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2Z2T_1_k12
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445395
P15121
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2WQF_1_k12
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679
P13922
[OH0][=S@@][Branch1][C][CH3][CH3]
CS(C)=O
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7LUT_1_k12
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P9WQD9
[OH0][=S@][Branch1][C][CH3][CH3]
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7GP7_1_k12
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753
P15090
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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6PTB_1_k12
0
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s171
P15056
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Oc1ccc(-c2ccc(-c3[nH][nH]c4c5ccc(O)cc5cc3-4)cc2)cc1
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4FTK_1_k12
1
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444205
Q8AVA4
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8PO9_5_k12
2
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s211
Q04957
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O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C1=CCNC=C1
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4WUA_2_k12
1
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s941
P29274
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NC1NC(NCCc2ccc(O)cc2)NC2NC(c3ccco3)NN12
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5JTB_4_k12
1
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753
Q02293
[C@@H1][Branch1][Ring2][CH2][OH0][H][Branch1][Ring1][OH0][H][CH2][OH0][H]
OCC(O)CO
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LVGPEPTLESLQKLGPFEVGTYTVPASSVTGFGGGVIYYPVNTDKKFPGIVMAPGYTADASSLDWLGKHLASHGFVVFVLNHLSKTDDADAVADELAAGLEYLKTKSPAEVQARLDASRMGVAGHSMGGGGTLILAERDPSLKAAVPLTPWHTDKKFNTKVPVLIIGAEADTVAPVSQHALPFFENLPKDTPKIYAVLCNASHIAPNSNNAAIKIYTVSWFKLFLCDDTRYRKFLCNVNDPALCDFKSNNLFCS
9JQW_2_k12
0
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9839547
K4FF95
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N[C@@H](CCC(=O)N[C@H](CS)C(=O)NCC(=O)O)C(=O)O
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5ECK_1_k12
2
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