id stringlengths 15 190 | task stringclasses 1
value | answer stringclasses 4
values | correct_molecule stringlengths 5 149 | options listlengths 4 4 | options_logka listlengths 4 4 | host_name stringclasses 131
values | version stringclasses 1
value | question stringlengths 433 1.5k | source stringclasses 2
values | prompt_strategy stringclasses 1
value |
|---|---|---|---|---|---|---|---|---|---|---|
t2_Cucurbit[8]uril_38 | task2 | D | Geranylamine | [
"Dodecane-trimethylamine",
"Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine",
"2,7-dimethyldiazapyrenium",
"Geranylamine"
] | [
6.4472,
6.7959,
5.9368,
8.9018
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_39 | task2 | D | (Ferrocen-1-yl)methyltrimethylammonium | [
"Glycyl-phenylalanine",
"Penicillin G",
"L-methionyl-L-leucylglycylglycyl-L-tyrosine",
"(Ferrocen-1-yl)methyltrimethylammonium"
] | [
3.8451,
3,
6.5224,
9.4942
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_40 | task2 | A | Proflavine | [
"Proflavine",
"Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-",
"L-Tyrosine",
"3,9-Dihydroxytriamantane"
] | [
7.2788,
0,
3.5499,
6.8744
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_41 | task2 | A | L-methionyl-L-lysylglycylglycyl-L-tyrosine | [
"L-methionyl-L-lysylglycylglycyl-L-tyrosine",
"beta-Estradiol",
"Gly-Gly-Trp",
"1,7-Dihydroxynaphthalene"
] | [
6.3766,
6.2788,
3.5521,
4.7324
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_42 | task2 | A | 1,3-Bis(trimethylaminio)adamantane | [
"1,3-Bis(trimethylaminio)adamantane",
"1,2-Dihydroxybenzene",
"Aluminum trichloride",
"Somatostatin"
] | [
11.0453,
4.1505,
2.9,
4.2304
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_43 | task2 | D | L-Tyrosyl-L-Lysyl-L-Alanine | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"glycyl-l-tryptophyl-glycine",
"Phenyl-β-D-galactopyranoside",
"L-Tyrosyl-L-Lysyl-L-Alanine"
] | [
4.2041,
4.2763,
4.4507,
6.699
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_44 | task2 | D | Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine | [
"L-tyrosyl-L-tyrosyl-L-alanine",
"4-Ethoxyphenol",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine"
] | [
6.1553,
3,
4.2041,
6.7959
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_45 | task2 | D | L-Tyrosyl-L-Lysyl-L-Alanine | [
"Tri-Trp Gly4 target",
"Met-Lys-Val-Gly-Tyr",
"Octyltrimethylammonium bromide",
"L-Tyrosyl-L-Lysyl-L-Alanine"
] | [
6.6721,
5.2148,
6.017,
6.699
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_46 | task2 | A | Phenoxy-1,2-dioxetane | [
"Phenoxy-1,2-dioxetane",
"Nickel chloride",
"L-Tryptophyl-L-proline",
"1,6-Dihydroxynaphthalene"
] | [
6.248,
2.73,
5.1662,
4.8808
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_47 | task2 | C | 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"6-Methoxy-2-naphthol",
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium",
"Calcium chloride"
] | [
3.4425,
5.7033,
5.8261,
3.31
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_48 | task2 | C | Mono-methyl viologen Gly6 scaffold | [
"2,2,6,6-tetramethyl-4-(methylamino)cyclohexan-1-one",
"Cholesterol",
"Mono-methyl viologen Gly6 scaffold",
"naproxen"
] | [
6.1246,
5,
6.301,
3.301
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_49 | task2 | D | 1,3-Bis(trimethylaminio)adamantane | [
"Anthracene",
"1-Adamantanol",
"1-(1-Adamantyl)pyridinium bromide",
"1,3-Bis(trimethylaminio)adamantane"
] | [
6.2041,
6.8654,
9.301,
11.0453
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_50 | task2 | B | 1-Adamantylazanium | [
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"1-Adamantylazanium",
"Benzimidazole",
"Hydrocortisone"
] | [
1,
9.4314,
3.8751,
6.6021
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_51 | task2 | A | Recombinant insulin human | [
"Recombinant insulin human",
"Propranolol",
"1,3-Dihydroxybenzene",
"Lys-Ala-Trp-Ala-Ala"
] | [
5.5185,
3.4771,
3.716,
3.7924
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_52 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"Progesterone",
"3-Hydroxyadamantan-1-aminium",
"DBF-NHCOO-5kPEG-OMe"
] | [
10.9868,
7.9385,
7.1461,
5.092
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_53 | task2 | C | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"alanylmethionyltyrosine",
"Calcium chloride",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium",
"Sodium chloride"
] | [
5.2148,
3.31,
6.5911,
2.49
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_54 | task2 | B | Decyltrimethylammonium bromide | [
"3-(3,4,5-trifluorobenzyl)-1-vinyl-1H-imidazol-3-ium",
"Decyltrimethylammonium bromide",
"1,5-Dihydroxynaphthalene",
"methionylleucylalanine"
] | [
5.9931,
6.6812,
5.1527,
6.143
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_55 | task2 | B | Coumarin 30 neutral | [
"tri-methyl viologen scaffold",
"Coumarin 30 neutral",
"N,N’-Dimethyl-1,2-bis-(4-pyridinium)- ethylene",
"Phenoxy-1,2-dioxetane"
] | [
6.2041,
11.1644,
5.8573,
6.248
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_56 | task2 | A | Camphor | [
"Camphor",
"Dibenzofuran-polyethylene-glycolpolymer",
"quinoline",
"Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-"
] | [
7.4843,
4.5085,
3.3424,
0
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_57 | task2 | D | 1-(3-aminopropyl)-4-4'-bipyridinium | [
"1,3-Dihydroxybenzene",
"Spironolactone",
"Phenoxy-1,2-dioxetane",
"1-(3-aminopropyl)-4-4'-bipyridinium"
] | [
3.716,
6,
6.248,
11.0792
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_58 | task2 | C | 1-(1-Adamantyl)pyridinium bromide | [
"Cetrimonium bromide",
"L-Aspartyl-L-phenylalanine",
"1-(1-Adamantyl)pyridinium bromide",
"L-tyrosyl-L-alanyl-L-leucine"
] | [
6.0212,
3.3741,
9.301,
4.4683
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_59 | task2 | D | Hexyltrimethylammonium bromide | [
"1,3-Benzodioxol-5-ol",
"L-Tyrosine",
"D/L-Adrenaline",
"Hexyltrimethylammonium bromide"
] | [
4.3116,
3.5499,
3,
5.5798
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_60 | task2 | C | 3,9-Dihydroxytriamantane | [
"Aluminum trichloride",
"Diethyl ether",
"3,9-Dihydroxytriamantane",
"sodium benzoate"
] | [
2.9,
3.7501,
6.8744,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_61 | task2 | B | 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione | [
"(Ferrocen-1-yl)methyltrimethylammonium",
"1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione",
"Prednisolone",
"2-napthyl-NHCOO-5kPEGOMe"
] | [
9.4942,
10.7709,
6.1482,
5.1131
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_62 | task2 | C | 1',1'''-(([1,1'-binaphthalene]-2,2'-diylbis(oxy))bis(hexane-6,1-diyl))bis(1-methyl-[4,4'-bipyridine]-1,1'-diium) | [
"4-ethylphenol",
"ceftazidime",
"1',1'''-(([1,1'-binaphthalene]-2,2'-diylbis(oxy))bis(hexane-6,1-diyl))bis(1-methyl-[4,4'-bipyridine]-1,1'-diium)",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol"
] | [
3.0792,
3,
7,
6.885
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_63 | task2 | A | Coumarin 6 | [
"Coumarin 6",
"Lanthanum chloride heptahydrate",
"Pancuronium",
"2,7-Dihydroxynaphthalene"
] | [
11.9191,
3.76,
8.301,
5.2272
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_64 | task2 | A | Testosterone | [
"Testosterone",
"Magnesium chloride",
"3,9-Dihydroxytriamantane",
"Estriol"
] | [
8.0414,
2.72,
6.8744,
5.9031
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_65 | task2 | B | Cetrimonium bromide | [
"1,6-Dihydroxynaphthalene",
"Cetrimonium bromide",
"Ranitidine",
"1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
4.8808,
6.0212,
3.301,
6
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_66 | task2 | A | Leu-Met-Gly-Gly-Tyr | [
"Leu-Met-Gly-Gly-Tyr",
"PDI-Bis(Et-Me2N-Et-OH)",
"Diethyl ether",
"Anthracene-polyethylene-glycol-polymer"
] | [
6.7959,
5.301,
3.7501,
3.7727
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_67 | task2 | D | Phenoxy-1,2-dioxetane | [
"Ranitidine",
"N,N’-Dimethyl-1,2-bis-(4-pyridinium)- ethylene",
"Phenyl-β-D-glucopyranoside",
"Phenoxy-1,2-dioxetane"
] | [
3.301,
5.8573,
5.0207,
6.248
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_68 | task2 | C | 1-(3-aminopropyl)-4-4'-bipyridinium | [
"Dibenzofuran-polyethylene-glycolpolymer",
"L-phenylalanyl-L-valine",
"1-(3-aminopropyl)-4-4'-bipyridinium",
"L-Tryptophanamide"
] | [
4.5085,
6.1611,
11.0792,
5.9685
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_69 | task2 | C | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | [
"beta-Estradiol",
"Cyclopentanone",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"3-Methoxyphenol"
] | [
6.2788,
3.0414,
7.0122,
3.8062
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_70 | task2 | A | 1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium | [
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium",
"Magnesium chloride",
"Tetramethyl benzobis (imidazolium)",
"1-NAPTHYL-NHCOO-5KPEGOME"
] | [
5.8261,
2.72,
5.6233,
4.3295
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_71 | task2 | B | L-tyrosyl-L-tyrosyl-L-alanine | [
"4-Bromophenol",
"L-tyrosyl-L-tyrosyl-L-alanine",
"Glycyl-phenylalanine",
"Potassium chloride"
] | [
3.9614,
6.1553,
3.8451,
2.66
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_72 | task2 | B | 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium | [
"L-Tyrosine",
"1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium",
"L-methionyl-L-lysylglycylglycyl-L-tyrosine",
"Mono-methyl viologen Gly6 scaffold"
] | [
3.5499,
6.8633,
6.3766,
6.301
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_73 | task2 | D | Vecuronium | [
"Leu-Met-Gly-Gly-Tyr",
"Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine",
"Tropicamide (protonated)",
"Vecuronium"
] | [
6.7959,
6.7959,
6.6021,
9.7924
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_74 | task2 | A | Eucalyptol | [
"Eucalyptol",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Cyclopentanone",
"benzene-1,3,5-triol"
] | [
8.3617,
4.2041,
3.0414,
2.5852
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_75 | task2 | B | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol | [
"1-Hydroxynaphthalene",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecane-4,9-diol",
"Dopamine",
"3-Methoxyphenol"
] | [
5.6021,
7.0122,
6,
3.8062
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_76 | task2 | B | 2,7-dimethyldiazapyrenium | [
"3-Chlorophenol",
"2,7-dimethyldiazapyrenium",
"glycyl-l-tryptophyl-glycine",
"Somatostatin"
] | [
4.7782,
5.9368,
4.2763,
4.2304
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_77 | task2 | D | 1-NAPTHYL-NHCOO-5KPEGOME | [
"Acetaminophen",
"Strontium chloride hexahydrate",
"chloramphenicol",
"1-NAPTHYL-NHCOO-5KPEGOME"
] | [
3.8451,
3.63,
3,
4.3295
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_78 | task2 | C | beta-Estradiol-17-acetate | [
"4-Fluorophenol",
"Oglufanide",
"beta-Estradiol-17-acetate",
"Dodecyltrimethylammonium bromide"
] | [
3.8325,
4.86,
6.8129,
6.4472
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_79 | task2 | C | 1-(hydroxymethyl)-ferrocene | [
"2-naphthyl-polyethylene glycol monomethyl ether polymer",
"Iron(III) chloride",
"1-(hydroxymethyl)-ferrocene",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium"
] | [
4.6173,
2.97,
6.5581,
6.5539
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_80 | task2 | B | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol | [
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol",
"Fluorenyl-polyethylene-glycol-polymer",
"Mono-methyl viologen Gly6 scaffold"
] | [
6.4624,
6.885,
5.5207,
6.301
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_81 | task2 | A | Phe-Gly-Gly | [
"Phe-Gly-Gly",
"Geranylamine",
"Mono-methyl viologen Gly6 scaffold",
"Tropicamide"
] | [
11.1761,
8.9018,
6.301,
3.1461
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_82 | task2 | D | Thiazole orange | [
"2-Naphthyl-polyethylene-glycol-polymer",
"Sodium chloride",
"1-Methyl-4-(pyridin-4-yl)pyridinium",
"Thiazole orange"
] | [
5.6513,
2.49,
10.2304,
11.7782
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_83 | task2 | D | Testosterone | [
"Oglufanide",
"Pyrenyl-polyethylene-glycol-polymer",
"N,N′-dimethyldipyridyliumethylene",
"Testosterone"
] | [
4.86,
4.946,
5.7033,
8.0414
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_84 | task2 | C | Dodecane-trimethylamine | [
"D/L-Adrenaline",
"1-Hydroxynaphthalene",
"Dodecane-trimethylamine",
"4-Ethoxyphenol"
] | [
3,
5.6021,
6.4472,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_85 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"4-Fluorophenol",
"Adamantan-1-yl-trimethyl-ammonium",
"L-Tyrosyl-L-methionyl-L-alanine",
"3,9-Dihydroxytriamantane"
] | [
3.8325,
10.9868,
5.8859,
6.8744
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_86 | task2 | B | 2,7-Dihydroxynaphthalene | [
"1,4-dimethoxybenzene",
"2,7-Dihydroxynaphthalene",
"Gly-Gly-Trp",
"1,6-Dihydroxynaphthalene"
] | [
3.6335,
5.2272,
3.5521,
4.8808
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_87 | task2 | B | (Trimethylamino)methyl)ferrocene | [
"Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-",
"(Trimethylamino)methyl)ferrocene",
"1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium",
"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium"
] | [
0,
9.9138,
5.2967,
5.9401
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_88 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"Dibenzofuran-polyethylene-glycolpolymer",
"Adamantan-1-yl-trimethyl-ammonium",
"Geranylamine",
"rotenone"
] | [
4.5085,
10.9868,
8.9018,
3.6812
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_89 | task2 | B | Dodecane-trimethylamine | [
"L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine",
"Dodecane-trimethylamine",
"Lanthanum chloride heptahydrate",
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
6.0492,
6.4472,
3.76,
5.8261
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_90 | task2 | A | tri-methyl viologen scaffold | [
"tri-methyl viologen scaffold",
"Oglufanide",
"Aluminum trichloride",
"D/L-Adrenaline"
] | [
6.2041,
4.86,
2.9,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_91 | task2 | B | Leu-met-ala | [
"Oglufanide",
"Leu-met-ala",
"Ampicillin",
"Lys-Ala-Trp-Ala-Ala"
] | [
4.86,
6.2227,
3,
3.7924
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_92 | task2 | B | 1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium | [
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium",
"7-Dehydrocholesterol",
"Glycyl-phenylalanine"
] | [
1,
6,
5,
3.8451
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_93 | task2 | A | methionylphenylalanylalanine | [
"methionylphenylalanylalanine",
"Mono-methyl viologen Gly4 scaffold",
"L-Tryptophanamide",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid"
] | [
6.85,
6.3222,
5.9685,
1
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_94 | task2 | A | (Ferrocen-1-yl)methyltrimethylammonium | [
"(Ferrocen-1-yl)methyltrimethylammonium",
"Propranolol",
"Benzamide",
"1-(1-Adamantyl)pyridinium bromide"
] | [
9.4942,
3.4771,
4.13,
9.301
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_95 | task2 | D | Fenchol | [
"2-Methoxyphenol",
"L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine",
"5-Methoxyindole",
"Fenchol"
] | [
4.0414,
6.0492,
4.6628,
8.5051
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_96 | task2 | C | pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol | [
"L-methionyl-L-lysylglycylglycyl-L-tyrosine",
"Di-Trp Gly4 target",
"pentacyclo[7.3.1.14,12.02,7.06,11]tetradecan-4-ol",
"2-Chlorophenol"
] | [
6.3766,
5.7197,
6.885,
4.8976
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_97 | task2 | D | Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine | [
"3-Indolepropionic acid",
"Phenoxy-1,2-dioxetane",
"trans-azobenzene-TEG",
"Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine"
] | [
3.3617,
6.248,
4.1584,
6.7959
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_98 | task2 | C | (Ferrocen-1-yl)methyltrimethylammonium | [
"Mono-methyl viologen Gly6 scaffold",
"3-Methoxyphenol",
"(Ferrocen-1-yl)methyltrimethylammonium",
"L-Tryptophanamide"
] | [
6.301,
3.8062,
9.4942,
5.9685
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_99 | task2 | D | 1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium | [
"(6E,9E,16E,19E)-1,5,15(1,4),11(4,1)-tetrapyridin-1-iuma-3,8,13,18(1,4)-tetrabenzenacycloicosaphane-6,9,16,19-tetraene-11,51,111,151-tetraium",
"Oxazine 1",
"1,6-Dihydroxynaphthalene",
"1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
5.2157,
5.7559,
4.8808,
6.3979
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_100 | task2 | A | Leu-Met-Gly-Gly-Tyr | [
"Leu-Met-Gly-Gly-Tyr",
"propanil",
"7-Dehydrocholesterol",
"Recombinant insulin human"
] | [
6.7959,
3.9031,
5,
5.5185
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_101 | task2 | D | Coumarin 7 | [
"Acetonitrile",
"Geranylamine",
"Phenyl-β-D-galactopyranoside",
"Coumarin 7"
] | [
3,
8.9018,
4.4507,
9.8129
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_102 | task2 | A | L-Phenylalanine | [
"L-Phenylalanine",
"sodium benzoate",
"3-Indolepropionic acid",
"Copper chloride"
] | [
3.6811,
3,
3.3617,
2.86
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_103 | task2 | B | 1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium | [
"Biphenyl-Polyethylene-Glycol-Polymer-2",
"1,1'-bis(4-methoxyphenyl)-[4,4'-bipyridine]-1,1'-diium",
"Lithium chloride",
"Mono-methyl viologen Gly4 scaffold"
] | [
5.1515,
6.5911,
1.69,
6.3222
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_104 | task2 | D | 1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione | [
"L-methionyl-L-lysylglycylglycyl-L-tyrosine",
"2-Phenylethylamine",
"3-Cyanophenol",
"1,4-dihydroxy-5,8-bis[2-(2-hydroxyethylamino)ethylamino]anthracene-9,10-dione"
] | [
6.3766,
3.9031,
3.716,
10.7709
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_105 | task2 | C | Cobaltocene hexafluorophosphate | [
"Corticosterone",
"2-(2,5-dihydroxyphenyl)acetic acid",
"Cobaltocene hexafluorophosphate",
"4-Fluorophenol"
] | [
7.1139,
2.1461,
8.2788,
3.8325
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_106 | task2 | D | 1-Hydroxynaphthalene | [
"Calcium chloride",
"Tetrahydrofuran",
"2-Methoxyphenol",
"1-Hydroxynaphthalene"
] | [
3.31,
4.0814,
4.0414,
5.6021
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_107 | task2 | A | Lys-met-ala | [
"Lys-met-ala",
"p-Benzoquinone",
"Benzene",
"Hydroquinone"
] | [
6.0492,
2.699,
3.6021,
3.7873
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_108 | task2 | D | (Trimethylamino)methyl)ferrocene | [
"methionyltyrosylalanine",
"Tetradecyltrimethylammonium bromide",
"4-Methoxyphenol",
"(Trimethylamino)methyl)ferrocene"
] | [
6.6021,
6.1644,
3.7033,
9.9138
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_109 | task2 | C | 1-Adamantanol | [
"2-Hydroxynaphthalene-triethylene-glycol",
"Perylene",
"1-Adamantanol",
"Aluminum trichloride"
] | [
5.6275,
5.7924,
6.8654,
2.9
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_110 | task2 | B | Corticosterone | [
"Tropicamide (protonated)",
"Corticosterone",
"Beta-estradiol 3-benzoate",
"1-(hydroxymethyl)-ferrocene"
] | [
6.6021,
7.1139,
6.2553,
6.5581
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_111 | task2 | A | 1,3-Bis(trimethylaminio)adamantane | [
"1,3-Bis(trimethylaminio)adamantane",
"2,7-dimethyldiazapyrenium",
"6-Methyl-6-dehydro-17alpha-acetoxyprogesterone",
"Benzene"
] | [
11.0453,
5.9368,
7.2041,
3.6021
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_112 | task2 | A | 1-Adamantanol | [
"1-Adamantanol",
"naproxen",
"7-Dehydrocholesterol",
"Tri-Trp Gly4 target"
] | [
6.8654,
3.301,
5,
6.6721
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_113 | task2 | D | Di-Trp Gly6 target | [
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"1,4-dimethoxybenzene",
"Anthracene-polyethylene-glycol-polymer",
"Di-Trp Gly6 target"
] | [
1,
3.6335,
3.7727,
5.6809
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_114 | task2 | C | Testosterone | [
"Lys-Ala-Trp-Ala-Ala",
"Zinc chloride",
"Testosterone",
"glycylglycyl-L-tryptophylglycylglycine"
] | [
3.7924,
2.67,
8.0414,
4.3979
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_115 | task2 | D | Di-Trp Gly4 target | [
"Benzimidazole",
"1-Naphthyl-polyethylene-glycol-polymer",
"Aniline",
"Di-Trp Gly4 target"
] | [
3.8751,
4.1139,
4.5194,
5.7197
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_116 | task2 | B | Proflavine | [
"2-(2,5-dihydroxyphenyl)acetic acid",
"Proflavine",
"Hydroquinone",
"1-Adamantanol"
] | [
2.1461,
7.2788,
3.7873,
6.8654
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_117 | task2 | D | L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine | [
"PDI-Bis(Et-Me2N-Et-OH)",
"1,3-Benzodioxol-5-ol",
"Dibenzofuran-polyethylene-glycolpolymer",
"L-methionyl-L-lysyl-L-alanylglycyl-L-tyrosine"
] | [
5.301,
4.3116,
4.5085,
6.0492
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_118 | task2 | D | Vecuronium | [
"trans-azobenzene-TEG",
"Acridine (protonated)",
"dibenzofuran polyethylene glycol monomethyl ether polymer",
"Vecuronium"
] | [
4.1584,
9.716,
5.3741,
9.7924
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_119 | task2 | D | Phe-Gly-Gly | [
"Anthracene-polyethylene-glycol-polymer",
"benzene-1,3,5-triol",
"L-Tyrosyl-L-Lysyl-L-Alanine",
"Phe-Gly-Gly"
] | [
3.7727,
2.5852,
6.699,
11.1761
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_120 | task2 | C | Phenyl-β-D-galactopyranoside | [
"ceftazidime",
"Potassium chloride",
"Phenyl-β-D-galactopyranoside",
"2-Methoxyphenol"
] | [
3,
2.66,
4.4507,
4.0414
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_121 | task2 | C | 4-(dimethylamino)benzonitrile | [
"1,3-Benzodioxol-5-ol",
"L-tyrosyl-L-alanyl-L-leucine",
"4-(dimethylamino)benzonitrile",
"Dopamine hydrochloride"
] | [
4.3116,
4.4683,
8.8678,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_122 | task2 | B | Phenoxy-1,2-dioxetane | [
"1,2-Dihydroxybenzene",
"Phenoxy-1,2-dioxetane",
"Lithium chloride",
"3-benzyl-1-vinyl-1H-imidazol-3-ium"
] | [
4.1505,
6.248,
1.69,
5.3948
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_123 | task2 | C | tri-methyl viologen scaffold | [
"trans-azobenzene-TEG",
"1,3-Benzodioxol-5-ol",
"tri-methyl viologen scaffold",
"Prochloraz"
] | [
4.1584,
4.3116,
6.2041,
3.4472
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_124 | task2 | B | 4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one | [
"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium",
"4,6-bis[4-(aminomethyl)anilino]-1H-1,3,5-triazin-2-one",
"2,3-Dihydroxynaphthalene",
"alanylmethionyltyrosine"
] | [
5.9401,
10.7619,
5.4297,
5.2148
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_125 | task2 | B | L-Tyrosyl-L-methionyl-L-alanine | [
"Oglufanide",
"L-Tyrosyl-L-methionyl-L-alanine",
"1,7-Dihydroxynaphthalene",
"sodium benzoate"
] | [
4.86,
5.8859,
4.7324,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_126 | task2 | A | 3-Hydroxyadamantan-1-aminium | [
"3-Hydroxyadamantan-1-aminium",
"Benzamide",
"L-methionyl-L-leucylglycylglycyl-L-tyrosine",
"rotenone"
] | [
7.1461,
4.13,
6.5224,
3.6812
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_127 | task2 | C | Coumarin 7 | [
"Aniline",
"L-tyrosyl-L-alanyl-L-leucine",
"Coumarin 7",
"Penicillin G"
] | [
4.5194,
4.4683,
9.8129,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_128 | task2 | A | 4-(dimethylamino)benzonitrile | [
"4-(dimethylamino)benzonitrile",
"ceftazidime",
"Pyridinium, 1,1'-[[2-(methoxycarbonyl)-1,4-phenylene]bis(methylene)]bis-",
"Biphenyl-Polyethylene-Glycol-Polymer-2"
] | [
8.8678,
3,
0,
5.1515
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_129 | task2 | A | L-phenylalanyl-L-valine | [
"L-phenylalanyl-L-valine",
"Lys-Ala-Trp-Ala-Ala",
"Epinephrine,L-Adrenaline",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid"
] | [
6.1611,
3.7924,
3,
1
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_130 | task2 | C | Di-Trp Gly4 target | [
"Aniline",
"Tropicamide",
"Di-Trp Gly4 target",
"4-Ethoxyphenol"
] | [
4.5194,
3.1461,
5.7197,
3
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_131 | task2 | D | Camphor | [
"D/L-Adrenaline",
"Aniline",
"tri-methyl viologen scaffold",
"Camphor"
] | [
3,
4.5194,
6.2041,
7.4843
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_132 | task2 | C | Thiazole orange | [
"L-Phenylalanine",
"1-Adamantanamine",
"Thiazole orange",
"Cholesterol"
] | [
3.6811,
8.9133,
11.7782,
5
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_133 | task2 | C | 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium | [
"1,3-Dihydroxybenzene",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"trans-azobenzene-TEG"
] | [
3.716,
4.2041,
6.4624,
4.1584
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_134 | task2 | C | L-tyrosyl-L-leucyl-L-alanine | [
"2,7-dimethyldiazapyrenium",
"3-(2,3,5,6-tetrafluorobenzyl)-1-vinyl-1H-imidazol-3-ium",
"L-tyrosyl-L-leucyl-L-alanine",
"1-Naphthyl-polyethylene-glycol-polymer"
] | [
5.9368,
5.9401,
8.143,
4.1139
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_135 | task2 | B | 1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium | [
"Tropicamide",
"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium",
"3-Indolepropionic acid",
"Benzamide"
] | [
3.1461,
6.2788,
3.3617,
4.13
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_136 | task2 | B | 1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium | [
"3-benzyl-1-vinyl-1H-imidazol-3-ium",
"1-methyl-1'-(3-aminiopropyl)-4,4'-bipyridinium",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"1,1'-bis(4-(ethoxycarbonyl)phenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
5.3948,
6.8633,
3.4425,
6.2788
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
t2_Cucurbit[8]uril_137 | task2 | B | 1-Adamantylazanium | [
"1-NAPTHYL-NHCOO-5KPEGOME",
"1-Adamantylazanium",
"Epinephrine,L-Adrenaline",
"1-Hydroxynaphthalene"
] | [
4.3295,
9.4314,
3,
5.6021
] | Cucurbit[8]uril | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule Cucurbit[8]uril (SMILES: C1N2C3C4N(C2=O)CN5C6C7N(C5=O)CN8C9C2N(C8=O)CN5C8C%10N(C5=O)CN5C%11C%12N(C5=O)C... | eupmc | base |
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