seq stringlengths 9 7.18k | smiles stringlengths 1 1.98k | affinity_uM float32 0 1M | neg_log10_affinity_M float32 0 15 | smiles_can stringlengths 1 2.02k | affinity float32 -4.17 5.45 |
|---|---|---|---|---|---|
MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVPVRTYTHEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL | C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O | 0.008 | 8.09691 | C[C@@H](Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F)C(C)(C)O | 1.01987 |
xtsfaesxkpvqqpsafgs | CCn1c(=O)sn(C)c1=O | 5 | 5.30103 | CCn1c(=O)sn(C)c1=O | -0.77251 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(CC)c1=O | 25 | 4.60206 | CCn1sc(=O)n(CC)c1=O | -1.220605 |
xtsfaesxkpvqqpsafgs | CCCn1sc(=O)n(CC)c1=O | 10 | 5 | CCCn1sc(=O)n(CC)c1=O | -0.965494 |
xtsfaesxkpvqqpsafgs | CCn1c(=O)sn(C(C)C)c1=O | 35 | 4.455932 | CCn1c(=O)sn(C(C)C)c1=O | -1.314284 |
xtsfaesxkpvqqpsafgs | CCn1c(=O)sn(C2CCCCC2)c1=O | 10 | 5 | CCn1c(=O)sn(C2CCCCC2)c1=O | -0.965494 |
xtsfaesxkpvqqpsafgs | CCCCn1c(=O)sn(CC)c1=O | 70 | 4.154902 | CCCCn1c(=O)sn(CC)c1=O | -1.507268 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(C2CCCCC2)c1=O | 100 | 4 | Cn1sc(=O)n(C2CCCCC2)c1=O | -1.606573 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(Cc2ccccc2)c1=O | 2 | 5.69897 | Cn1sc(=O)n(Cc2ccccc2)c1=O | -0.517399 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(Cc2ccccc2)c1=O | 7 | 5.154902 | CCn1sc(=O)n(Cc2ccccc2)c1=O | -0.866189 |
xtsfaesxkpvqqpsafgs | O=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1 | 10 | 5 | O=c1sn(Cc2ccccc2)c(=O)n1Cc1ccccc1 | -0.965494 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccccc2)c1=O | 2 | 5.69897 | Cn1sc(=O)n(-c2ccccc2)c1=O | -0.517399 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccc(Br)cc2)c1=O | 3 | 5.522879 | Cn1sc(=O)n(-c2ccc(Br)cc2)c1=O | -0.630287 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2cccc(Br)c2)c1=O | 4 | 5.39794 | Cn1sc(=O)n(-c2cccc(Br)c2)c1=O | -0.710383 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccccc2Br)c1=O | 6 | 5.221849 | Cn1sc(=O)n(-c2ccccc2Br)c1=O | -0.823271 |
MKVLILACLVALALARELEELNVPGEIVESLSSSEESITRINKKIEKFQSEEQQQTEDELQDKIHPFAQTQSLVYPFPGPIPNSLPQNIPPLTQTPVVVPPFLQPEVMGVSKVKEAMAPKHKEMPFPKYPVEPFTESQSLTLTDVENLHLPLPLLQSWMHQPHQPLPPTVMFPPQSVLSLSQSKVLPVPQKAVPYPQRDMPIQAFLLYQEPVLGPVRGPFPIIV | Cn1sc(=O)n(Cc2ccccc2)c1=O | 100 | 4 | Cn1sc(=O)n(Cc2ccccc2)c1=O | -1.606573 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccc(Cl)cc2)c1=O | 4 | 5.39794 | Cn1sc(=O)n(-c2ccc(Cl)cc2)c1=O | -0.710383 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccc(F)cc2)c1=O | 4 | 5.39794 | Cn1sc(=O)n(-c2ccc(F)cc2)c1=O | -0.710383 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2ccc(cc2)C(F)(F)F)c1=O | 6 | 5.221849 | Cn1sc(=O)n(-c2ccc(C(F)(F)F)cc2)c1=O | -0.823271 |
xtsfaesxkpvqqpsafgs | Cc1ccc(cc1)-n1c(=O)sn(C)c1=O | 5 | 5.30103 | Cc1ccc(-n2c(=O)sn(C)c2=O)cc1 | -0.77251 |
xtsfaesxkpvqqpsafgs | COc1ccc(cc1)-n1c(=O)sn(C)c1=O | 2 | 5.69897 | COc1ccc(-n2c(=O)sn(C)c2=O)cc1 | -0.517399 |
xtsfaesxkpvqqpsafgs | Cn1sc(=O)n(-c2cccc3ccccc23)c1=O | 3 | 5.522879 | Cn1sc(=O)n(-c2cccc3ccccc23)c1=O | -0.630287 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(CC)c1=S | 20 | 4.69897 | CCn1sc(=O)n(CC)c1=S | -1.158478 |
xtsfaesxkpvqqpsafgs | O=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1 | 8 | 5.09691 | O=c1sn(-c2ccccc2)c(=S)n1-c1ccccc1 | -0.903367 |
xtsfaesxkpvqqpsafgs | O=c1sn(Cc2ccccc2)c(=S)n1Cc1ccccc1 | 10 | 5 | O=c1sn(Cc2ccccc2)c(=S)n1Cc1ccccc1 | -0.965494 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(Cc2ccccc2)c1=S | 6 | 5.221849 | CCn1sc(=O)n(Cc2ccccc2)c1=S | -0.823271 |
xtsfaesxkpvqqpsafgs | CCn1c(=S)n(C)s\c1=N/c1cccnc1 | 10 | 5 | CCn1c(=S)n(C)s/c1=N\c1cccnc1 | -0.965494 |
xtsfaesxkpvqqpsafgs | CCNC(=O)\N=c1/sn(CC)c(=O)n1-c1ccccc1 | 75 | 4.124939 | CCNC(=O)/N=c1\sn(CC)c(=O)n1-c1ccccc1 | -1.526477 |
xtsfaesxkpvqqpsafgs | CCn1sc(=N)n(-c2ccccc2)c1=O | 65 | 4.187087 | CCn1sc(=N)n(-c2ccccc2)c1=O | -1.486635 |
xtsfaesxkpvqqpsafgs | CCOC(=O)\N=c1/sn(C(=O)OCC)c(=S)n1-c1ccccc1 | 100 | 4 | CCOC(=O)/N=c1\sn(C(=O)OCC)c(=S)n1-c1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1NC(=O)C=C1 | 6 | 5.221849 | O=C1C=CC(=O)N1 | -0.823271 |
xtsfaesxkpvqqpsafgs | CN1C(=O)C=CC1=O | 5 | 5.30103 | CN1C(=O)C=CC1=O | -0.77251 |
xtsfaesxkpvqqpsafgs | O=C1C=CC(=O)N1Cc1ccccc1 | 1 | 6 | O=C1C=CC(=O)N1Cc1ccccc1 | -0.324415 |
xtsfaesxkpvqqpsafgs | CCOC(=O)CN1C(=O)C=CC1=O | 3 | 5.522879 | CCOC(=O)CN1C(=O)C=CC1=O | -0.630287 |
xtsfaesxkpvqqpsafgs | COc1ccc(CN2C(=O)C=CC2=O)cc1 | 2.5 | 5.60206 | COc1ccc(CN2C(=O)C=CC2=O)cc1 | -0.579526 |
xtsfaesxkpvqqpsafgs | O=C1C=CC(=O)N1CCc1ccccc1 | 2 | 5.69897 | O=C1C=CC(=O)N1CCc1ccccc1 | -0.517399 |
xtsfaesxkpvqqpsafgs | COc1ccc(CCN2C(=O)C=CC2=O)cc1 | 3 | 5.522879 | COc1ccc(CCN2C(=O)C=CC2=O)cc1 | -0.630287 |
xtsfaesxkpvqqpsafgs | O=C1C=CC(=O)N1CCCc1ccccc1 | 3 | 5.522879 | O=C1C=CC(=O)N1CCCc1ccccc1 | -0.630287 |
xtsfaesxkpvqqpsafgs | O=C1C=CC(=O)N1CCCCCc1ccccc1 | 3 | 5.522879 | O=C1C=CC(=O)N1CCCCCc1ccccc1 | -0.630287 |
xtsfaesxkpvqqpsafgs | O=C1CC(=O)C=C1 | 12 | 4.920819 | O=C1C=CC(=O)C1 | -1.016255 |
xtsfaesxkpvqqpsafgs | O=C1OC(=O)C=C1 | 100 | 4 | O=C1C=CC(=O)O1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1CCC(=O)C1 | 100 | 4 | O=C1CCC(=O)C1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1CCC(=O)N1 | 100 | 4 | O=C1CCC(=O)N1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1CCC(=O)N1Cc1ccccc1 | 100 | 4 | O=C1CCC(=O)N1Cc1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1CCCN1Cc1ccccc1 | 100 | 4 | O=C1CCCN1Cc1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | C(N1CC=CC1)c1ccccc1 | 100 | 4 | C1=CCN(Cc2ccccc2)C1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Oc1csc(S)n1 | 100 | 4 | Oc1csc(S)n1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cn1c(O)csc1=S | 100 | 4 | Cn1c(O)csc1=S | -1.606573 |
xtsfaesxkpvqqpsafgs | OC(=O)Cn1c(O)csc1=S | 100 | 4 | O=C(O)Cn1c(O)csc1=S | -1.606573 |
xtsfaesxkpvqqpsafgs | Nn1c(O)csc1=S | 100 | 4 | Nn1c(O)csc1=S | -1.606573 |
xtsfaesxkpvqqpsafgs | Oc1csc(=O)[nH]1 | 100 | 4 | O=c1[nH]c(O)cs1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Oc1csc(=S)n1Cc1ccccc1 | 25 | 4.60206 | Oc1csc(=S)n1Cc1ccccc1 | -1.220605 |
xtsfaesxkpvqqpsafgs | Oc1csc(=S)n1CCc1ccccc1 | 35 | 4.455932 | Oc1csc(=S)n1CCc1ccccc1 | -1.314284 |
xtsfaesxkpvqqpsafgs | Oc1csc(=S)n1CC(=O)c1ccccc1 | 50 | 4.30103 | O=C(Cn1c(O)csc1=S)c1ccccc1 | -1.413589 |
xtsfaesxkpvqqpsafgs | Oc1csc(=O)n1Cc1ccccc1 | 100 | 4 | O=c1scc(O)n1Cc1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | COc1ccc(Cn2c(O)csc2=S)cc1 | 65 | 4.187087 | COc1ccc(Cn2c(O)csc2=S)cc1 | -1.486635 |
xtsfaesxkpvqqpsafgs | COc1ccc(CCn2c(O)csc2=S)cc1 | 100 | 4 | COc1ccc(CCn2c(O)csc2=S)cc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cn1c(=O)ssc1=O | 100 | 4 | Cn1c(=O)ssc1=O | -1.606573 |
xtsfaesxkpvqqpsafgs | O=c1ssc(=O)n1-c1ccccc1 | 12 | 4.920819 | O=c1ssc(=O)n1-c1ccccc1 | -1.016255 |
xtsfaesxkpvqqpsafgs | O=c1ssc(=O)n1Cc1ccccc1 | 12 | 4.920819 | O=c1ssc(=O)n1Cc1ccccc1 | -1.016255 |
xtsfaesxkpvqqpsafgs | O=c1[nH][nH]c(=O)n1-c1ccccc1 | 100 | 4 | O=c1[nH][nH]c(=O)n1-c1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cn1n(C)c(=O)n(-c2ccccc2)c1=O | 100 | 4 | Cn1c(=O)n(-c2ccccc2)c(=O)n1C | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C(c1ccccc1)n1n(C(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O | 100 | 4 | O=C(c1ccccc1)n1c(=O)n(-c2ccccc2)c(=O)n1C(=O)c1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C(Cn1n(CC(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O)c1ccccc1 | 100 | 4 | O=C(Cn1c(=O)n(-c2ccccc2)c(=O)n1CC(=O)c1ccccc1)c1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | O=C1N=NC(=O)N1c1ccccc1 | 100 | 4 | O=C1N=NC(=O)N1c1ccccc1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Oc1c[nH]c(=O)[nH]1 | 100 | 4 | O=c1[nH]cc(O)[nH]1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Oc1c[nH]c(=O)n1Cc1ccccc1 | 100 | 4 | O=c1[nH]cc(O)n1Cc1ccccc1 | -1.606573 |
MATSRYEPVAEIGVGAYGTVYKARDPHSGHFVALKSVRVPNGGGGGGGLPISTVREVALLRRLEAFEHPNVVRLMDVCATSRTDREIKVTLVFEHVDQDLRTYLDKAPPPGLPAETIKDLMRQFLRGLDFLHANCIVHRDLKPENILVTSGGTVKLADFGLARIYSYQMALTPVVVTLWYRAPEVLLQSTYATPVDMWSVGCIFAEMFRRKPLFCGNSEADQLGKIFDLIGLPPEDDWPRDVSLPRGAFPPRGPRPVQSVVPEMEESGAQLLLEMLTFNPHKRISAFRALQHSYLHKDEGNPE | C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O | 0.024 | 7.619789 | C[C@@H](Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F)C(C)(C)O | 0.713997 |
MQSKVLLAVALWLCVETRAASVGLPSVSLDLPRLSIQKDILTIKANTTLQITCRGQRDLDWLWPNNQSGSEQRVEVTECSDGLFCKTLTIPKVIGNDTGAYKCFYRETDLASVIYVYVQDYRSPFIASVSDQHGVVYITENKNKTVVIPCLGSISNLNVSLCARYPEKRFVPDGNRISWDSKKGFTIPSYMISYAGMVFCEAKINDESYQSIMYIVVVVGYRIYDVVLSPSHGIELSVGEKLVLNCTARTELNVGIDFNWEYPSSKHQHKKLVNRDLKTQSGSEMKKFLSTLTIDGVTRSDQGLYTCAASSGLMTKKNSTFVRVHEKPFVAFGSGMESLVEATVGERVRIPAKYLGYPPPEIKWYKNGIPLESNHTIKAGHVLTIMEVSERDTGNYTVILTNPISKEKQSHVVSLVVYVPPQIGEKSLISPVDSYQYGTTQTLTCTVYAIPPPHHIHWYWQLEEECANEPSQAVSVTNPYPCEEWRSVEDFQGGNKIEVNKNQFALIEGKNKTVSTLVIQAANVSALYKCEAVNKVGRGERVISFHVTRGPEITLQPDMQPTEQESVSLWCTADRSTFENLTWYKLGPQPLPIHVGELPTPVCKNLDTLWKLNATMFSNSTNDILIMELKNASLQDQGDYVCLAQDRKTKKRHCVVRQLTVLERVAPTITGNLENQTTSIGESIEVSCTASGNPPPQIMWFKDNETLVEDSGIVLKDGNRNLTIRRVRKEDEGLYTCQACSVLGCAKVEAFFIIEGAQEKTNLEIIILVGTAVIAMFFWLLLVIILRTVKRANGGELKTGYLSIVMDPDELPLDEHCERLPYDASKWEFPRDRLKLGKPLGRGAFGQVIEADAFGIDKTATCRTVAVKMLKEGATHSEHRALMSELKILIHIGHHLNVVNLLGACTKPGGPLMVIVEFCKFGNLSTYLRSKRNEFVPYKTKGARFRQGKDYVGAIPVDLKRRLDSITSSQSSASSGFVEEKSLSDVEEEEAPEDLYKDFLTLEHLICYSFQVAKGMEFLASRKCIHRDLAARNILLSEKNVVKICDFGLARDIYKDPDYVRKGDARLPLKWMAPETIFDRVYTIQSDVWSFGVLLWEIFSLGASPYPGVKIDEEFCRRLKEGTRMRAPDYTTPEMYQTMLDCWHGEPSQRPTFSELVEHLGNLLQANAQQDGKDYIVLPISETLSMEEDSGLSLPTSPVSCMEEEEVCDPKFHYDNTAGISQYLQNSKRKSRPVSVKTFEDIPLEEPEVKVIPDDNQTDSGMVLASEELKTLEDRTKLSPSFGGMVPSKSRESVASEGSNQTSGYQSGYHSDDTDTTVYSSEEAELLKLIEIGVQTGSTAQILQPDSGTTLSSPPV | C[C@@H](Oc1nc(Nc2ccc(cc2)S(C)(=O)=O)ncc1C(F)(F)F)C(C)(C)O | 0.19 | 6.721246 | C[C@@H](Oc1nc(Nc2ccc(S(C)(=O)=O)cc2)ncc1C(F)(F)F)C(C)(C)O | 0.137961 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 | 0.0001 | 10 | CN(CCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 | 0.0001 | 10 | CN(CCCC(=O)Nc1cccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)c1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1 | 0.0001 | 10 | C[C@H](NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)c1cccc(CC(=O)NCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 | 0.0001 | 10 | CN(CCCCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(CCCCC(=O)Nc1cc(C)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1C)C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1 | 0.0001 | 10 | Cc1cc(NC(=O)CCCCN(C)C(=O)CCN2CCC(OC(=O)Nc3ccccc3-c3ccccc3)CC2)c(C)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cccc(c1)C(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 0.0001 | 10 | CN(C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1)c1cccc(C(=O)Nc2ccc(CNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)c1 | 2.239901 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | CN(C(=O)CCN1CCC(CC1)OC(=O)Nc1ccccc1-c1ccccc1)c1cc(ccc1C)C(=O)Nc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1 | 0.0002 | 9.69897 | Cc1ccc(C(=O)Nc2ccc(CCNC[C@H](O)c3ccc(O)c4[nH]c(=O)ccc34)cc2)cc1N(C)C(=O)CCN1CCC(OC(=O)Nc2ccccc2-c2ccccc2)CC1 | 2.046916 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(-c2ccc(cc2)N(=O)=O)c1=O | 8.5 | 5.070581 | CCn1sc(=O)n(-c2ccc([N+](=O)[O-])cc2)c1=O | -0.920246 |
MTLHNNSTTSPLFPNISSSWIHSPSDAGLPPGTVTHFGSYNVSRAAGNFSSPDGTTDDPLGGHTVWQVVFIAFLTGILALVTIIGNILVIVSFKVNKQLKTVNNYFLLSLACADLIIGVISMNLFTTYIIMNRWALGNLACDLWLAIDYVASNASVMNLLVISFDRYFSITRPLTYRAKRTTKRAGVMIGLAWVISFVLWAPAILFWQYFVGKRTVPPGECFIQFLSEPTITFGTAIAAFYMPVTIMTILYWRIYKETEKRTKELAGLQASGTEAETENFVHPTGSSRSCSSYELQQQSMKRSNRRKYGRCHFWFTTKSWKPSSEQMDQDHSSSDSWNNNDAAASLENSASSDEEDIGSETRAIYSIVLKLPGHSTILNSTKLPSSDNLQVPEEELGMVDLERKADKLQAQKSVDDGGSFPKSFSKLPIQLESAVDTAKTSDVNSSVGKSTATLPLSFKEATLAKRFALKTRSQITKRKRMSLVKEKKAAQTLSAILLAFIITWTPYNIMVLVNTFCDSCIPKTFWNLGYWLCYINSTVNPVCYALCNKTFRTTFKMLLLCQCDKKKRRKQQYQQRQSVIFHKRAPEQAL | C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(cc2)N(C)C(=O)CCN2CCC(CC2)OC(=O)Nc2ccccc2-c2ccccc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 0.0001 | 10 | C[C@H](Cc1cccc(CCNC(=O)Cc2ccc(N(C)C(=O)CCN3CCC(OC(=O)Nc4ccccc4-c4ccccc4)CC3)cc2)c1)NC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 | 2.239901 |
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV | Cc1c(-c2ccc3OCOc3c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 | 0.07 | 7.154902 | Cc1c(-c2ccc3c(c2)OCO3)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 | 0.415968 |
xtsfaesxkpvqqpsafgs | CCn1sc(=O)n(-c2ccccc2)c1=O | 6 | 5.221849 | CCn1sc(=O)n(-c2ccccc2)c1=O | -0.823271 |
xtsfaesxkpvqqpsafgs | CCOC(=O)Cn1c(=O)sn(C)c1=O | 2 | 5.69897 | CCOC(=O)Cn1c(=O)sn(C)c1=O | -0.517399 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cc(Cl)c(Cl)s1 | 2.5 | 5.60206 | O=C(CCl)c1cc(Cl)c(Cl)s1 | -0.579526 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cc(Br)cs1 | 3 | 5.522879 | O=C(CCl)c1cc(Br)cs1 | -0.630287 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cscc1Cl | 25 | 4.60206 | O=C(CCl)c1cscc1Cl | -1.220605 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1c(Br)sc(Br)c1Br | 1 | 6 | O=C(CCl)c1c(Br)sc(Br)c1Br | -0.324415 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1c(Cl)c(Cl)sc1Br | 2 | 5.69897 | O=C(CCl)c1c(Br)sc(Cl)c1Cl | -0.517399 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cccs1 | 50 | 4.30103 | O=C(CCl)c1cccs1 | -1.413589 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1csc(c1)C(=O)CCl | 1.5 | 5.823909 | O=C(CCl)c1csc(C(=O)CCl)c1 | -0.437303 |
xtsfaesxkpvqqpsafgs | Cc1ccc(s1)C(=O)CCl | 100 | 4 | Cc1ccc(C(=O)CCl)s1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cc1sc(cc1C(=O)CCl)C(=O)CCl | 5 | 5.30103 | Cc1sc(C(=O)CCl)cc1C(=O)CCl | -0.77251 |
xtsfaesxkpvqqpsafgs | Cc1cc(C(=O)CCl)c(C)s1 | 100 | 4 | Cc1cc(C(=O)CCl)c(C)s1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cc1ccsc1C(=O)CCl | 75 | 4.124939 | Cc1ccsc1C(=O)CCl | -1.526477 |
xtsfaesxkpvqqpsafgs | Cc1csc(c1)C(=O)CCl | 100 | 4 | Cc1csc(C(=O)CCl)c1 | -1.606573 |
xtsfaesxkpvqqpsafgs | Cc1c(csc1C(=O)CCl)C(=O)CCl | 5 | 5.30103 | Cc1c(C(=O)CCl)csc1C(=O)CCl | -0.77251 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1ccc(Cl)s1 | 10 | 5 | O=C(CCl)c1ccc(Cl)s1 | -0.965494 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1ccc(Br)s1 | 10 | 5 | O=C(CCl)c1ccc(Br)s1 | -0.965494 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1scc(Br)c1Br | 0.5 | 6.30103 | O=C(CCl)c1scc(Br)c1Br | -0.131431 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cc(Br)c(Br)s1 | 1 | 6 | O=C(CCl)c1cc(Br)c(Br)s1 | -0.324415 |
xtsfaesxkpvqqpsafgs | ClCC(=O)c1cc(Cl)sc1Cl | 5 | 5.30103 | O=C(CCl)c1cc(Cl)sc1Cl | -0.77251 |
xtsfaesxkpvqqpsafgs | CC(=O)c1ccc(s1)C(=O)CCl | 50 | 4.30103 | CC(=O)c1ccc(C(=O)CCl)s1 | -1.413589 |
Subsets and Splits
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Identifies sequences with a high diversity of molecular structures, which could reveal interesting patterns in molecular biology or chemistry research.