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[6]uril_68 | task2 | C | (1R,4R)-cyclohexane-1,4-diamine | [
"L-Alanine",
"Glycyl-l-alanine",
"(1R,4R)-cyclohexane-1,4-diamine",
"Dimethyl-(4-methylphenyl)sulfanium"
] | [
3.0199,
2.8,
6.1461,
1
] | Cucurbit[6]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[6]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[6]uril_69 | task2 | B | 1-Butanol | [
"1-Heptanol",
"1-Butanol",
"Zinc chloride",
"(Aminomethyl)trimethylsilane"
] | [
2.6435,
2.8089,
2.45,
1
] | Cucurbit[6]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[6]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[6]uril_70 | task2 | B | Ammonium chloride | [
"Ethyne",
"Ammonium chloride",
"Trifluoroacetic acid",
"8-aminooctanoic acid"
] | [
1.8567,
3.79,
1.0414,
3.27
] | Cucurbit[6]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[6]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[6]uril_71 | task2 | C | 1-methyl-3-pentylimidazol-1-ium bromide | [
"L-Phenylalanine",
"Glycyl-l-alanine",
"1-methyl-3-pentylimidazol-1-ium bromide",
"Potassium cation"
] | [
3.16,
2.8,
5.3424,
2.79
] | Cucurbit[6]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[6]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[6]uril_72 | task2 | D | L-Phenylalanine | [
"Calcium cation",
"Propionic acid",
"Cyclohexanemethylamine",
"L-Phenylalanine"
] | [
2.8,
2.7709,
2.2261,
3.16
] | Cucurbit[6]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[6]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[6]uril_73 | task2 | C | trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide | [
"Cyclopentanone",
"Aluminum trichloride",
"trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide",
"1-dodecyl-3-methylimidazol-3-ium bromide"
] | [
3.2041,
3.81,
6.9025,
4
] | Cucurbit[6]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[6]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[6]uril_74 | task2 | B | Rubidium chloride | [
"1-methyl-3-octylimidazol-1-ium;bromide",
"Rubidium chloride",
"Calcium cation",
"Ammonium chloride"
] | [
4,
4.301,
2.8,
3.79
] | Cucurbit[6]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[6]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[6]uril_75 | task2 | D | Isobutane-d10 | [
"Lithium chloride",
"glycyl-l-asparagine",
"Propionic acid",
"Isobutane-d10"
] | [
2.41,
2.82,
2.7709,
5.959
] | Cucurbit[6]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[6]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[6]uril_76 | task2 | B | Isobutane-d10 | [
"Sodium cation",
"Isobutane-d10",
"3-aminopropanenitrile",
"l-Leucyl-l-Valine"
] | [
3.2466,
5.959,
2.64,
2.79
] | Cucurbit[6]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[6]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[6]uril_77 | task2 | C | 1-methyl-3-propylimidazol-1-ium;bromide | [
"6-aminohexan-1-ol",
"Aluminum trichloride",
"1-methyl-3-propylimidazol-1-ium;bromide",
"Urea"
] | [
2.27,
3.81,
4,
1.66
] | Cucurbit[6]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[6]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[6]uril_78 | task2 | C | 1-Octylammonium | [
"Strontium cation",
"1-Octanoic acid",
"1-Octylammonium",
"Glycyl-l-alanine"
] | [
3.1801,
2.7482,
3.3222,
2.8
] | Cucurbit[6]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[6]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[6]uril_79 | task2 | D | Cesium chloride, Caesium chloride | [
"1-propanol",
"glycyl-l-asparagine",
"Glycine",
"Cesium chloride, Caesium chloride"
] | [
2.5584,
2.82,
3.67,
5.3096
] | Cucurbit[6]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[6]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[6]uril_80 | task2 | B | Propane-d8 | [
"L-Valine",
"Propane-d8",
"Lithium chloride",
"Sodium cation"
] | [
3.1501,
5.2041,
2.41,
3.2466
] | Cucurbit[6]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[6]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[6]uril_81 | task2 | C | Barium chloride | [
"3,4-Dihydroxybenzylamine hydrochloride",
"Rubidium cation",
"Barium chloride",
"1-propanol"
] | [
1,
2.68,
5.29,
2.5584
] | Cucurbit[6]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[6]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[6]uril_82 | task2 | B | Potassium chloride | [
"Magnesium chloride",
"Potassium chloride",
"4-aminobutyric acid",
"1-Octylammonium"
] | [
2.57,
3.8081,
3.4,
3.3222
] | Cucurbit[6]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[6]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[6]uril_83 | task2 | A | (1R,4R)-cyclohexane-1,4-diamine | [
"(1R,4R)-cyclohexane-1,4-diamine",
"Lanthanum chloride heptahydrate",
"Glycine",
"Ytterbium(III) chloride"
] | [
6.1461,
4.1614,
3.67,
3.5
] | Cucurbit[6]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[6]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[6]uril_84 | task2 | B | Hexylamine (protonated form) | [
"1-Pentanoic acid",
"Hexylamine (protonated form)",
"Sulfur hexafluoride",
"1,2-Phenylenediamine"
] | [
2.699,
5.2227,
4.4914,
1
] | Cucurbit[6]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[6]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[6]uril_85 | task2 | D | Ytterbium(III) chloride | [
"P-Xylylenediamine",
"Calcium cation",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Ytterbium(III) chloride"
] | [
2.7404,
2.8,
3.1139,
3.5
] | Cucurbit[6]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[6]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[6]uril_86 | task2 | C | Strontium chloride hexahydrate | [
"1-Octanoic acid",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Strontium chloride hexahydrate",
"Ethyne"
] | [
2.7482,
3.1139,
4.9101,
1.8567
] | Cucurbit[6]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[6]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[6]uril_87 | task2 | D | 6-aminohexanoic acid | [
"5-aminopentan-1-ol",
"Ethylamine (protonated form)",
"Glycyl-l-valine",
"6-aminohexanoic acid"
] | [
2.84,
2.5548,
3.1901,
3.57
] | Cucurbit[6]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[6]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[6]uril_88 | task2 | B | [2,2'-bipyridin]-5-amine | [
"1-hexyl-3-methylimidazol-3-ium;bromide",
"[2,2'-bipyridin]-5-amine",
"dl-leucylglycyl-dl-phenylalanine",
"1-Hexanol"
] | [
4.5378,
5.2833,
2.8,
2.7076
] | Cucurbit[6]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[6]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[6]uril_89 | task2 | D | Sodium chloride | [
"Ethanolamine",
"3-aminopropanenitrile",
"Lithium ion",
"Sodium chloride"
] | [
2.58,
2.64,
2.38,
3.89
] | Cucurbit[6]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[6]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[6]uril_90 | task2 | A | Isobutane-d10 | [
"Isobutane-d10",
"Barium chloride",
"1,10-Decanediammonium",
"Lanthanum chloride heptahydrate"
] | [
5.959,
5.29,
4.2227,
4.1614
] | Cucurbit[6]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[6]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[6]uril_91 | task2 | C | Isobutane-d10 | [
"5-aminovaleric acid",
"Rubidium cation",
"Isobutane-d10",
"1,10-Decanediammonium"
] | [
3.5899,
2.68,
5.959,
4.2227
] | Cucurbit[6]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[6]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[6]uril_92 | task2 | A | L-Valine | [
"L-Valine",
"Propionic acid",
"p-tolylmethanaminium",
"6-Phenylamino-naphthalene-2-sulfonic acid anion"
] | [
3.1501,
2.7709,
2.7185,
1.716
] | Cucurbit[6]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[6]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[6]uril_93 | task2 | A | 1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium | [
"1-(2-carboxyethyl)-3,5-dimethyl-Pyridinium",
"8-aminooctanoic acid",
"1-heptyl-3-methylimidazol-3-ium bromide",
"4-aminobutan-1-ol"
] | [
4.4472,
3.27,
4,
3.34
] | Cucurbit[6]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[6]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[6]uril_94 | task2 | D | butylamine (protonated form) | [
"Sanguinarine",
"p-Phenylenediamine",
"4-aminobutan-1-ol",
"butylamine (protonated form)"
] | [
3.828,
3.2695,
3.34,
5
] | Cucurbit[6]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[6]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[6]uril_95 | task2 | C | Isobutane-d10 | [
"cylopenthylmethanaminium",
"8-aminooctanoic acid",
"Isobutane-d10",
"4-(2-pyridyl)aniline"
] | [
5.7322,
3.27,
5.959,
4.8
] | Cucurbit[6]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[6]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[6]uril_96 | task2 | D | Spermidine (fully protonated form) | [
"Iron(III) chloride",
"Barium chloride",
"p-Phenylenediamine",
"Spermidine (fully protonated form)"
] | [
5.1703,
5.29,
3.2695,
8.6128
] | Cucurbit[6]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[6]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[6]uril_97 | task2 | A | Spermidine (fully protonated form) | [
"Spermidine (fully protonated form)",
"1-methyl-3-propylimidazol-1-ium;bromide",
"Glycylglycine",
"Cesium chloride, Caesium chloride"
] | [
8.6128,
4,
2.9,
5.3096
] | Cucurbit[6]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[6]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[6]uril_98 | task2 | A | 1-hexyl-3-methylimidazol-3-ium;bromide | [
"1-hexyl-3-methylimidazol-3-ium;bromide",
"3-aminopropan-1-ol",
"Propionic acid",
"1-Pentanoic acid"
] | [
4.5378,
3.5899,
2.7709,
2.699
] | Cucurbit[6]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[6]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[6]uril_99 | task2 | D | [2,2'-bipyridin]-5-amine | [
"Acetone",
"Coptisine",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"[2,2'-bipyridin]-5-amine"
] | [
3.8573,
4.1072,
1,
5.2833
] | Cucurbit[6]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[6]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[6]uril_100 | task2 | A | Butylamine (protonated form) | [
"Butylamine (protonated form)",
"3-aminopropan-1-ol",
"Hexylamine (protonated form)",
"glycyl-l-asparagine"
] | [
6.4914,
3.5899,
5.2227,
2.82
] | Cucurbit[6]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[6]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[6]uril_101 | task2 | B | Isobutane-d10 | [
"3,3-dimethylbutan-1-aminium",
"Isobutane-d10",
"Coptisine",
"4-aminobutan-1-ol"
] | [
1.244,
5.959,
4.1072,
3.34
] | Cucurbit[6]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[6]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[6]uril_102 | task2 | C | Lanthanum chloride heptahydrate | [
"Cyclohexanemethylamine",
"1-dodecyl-3-methylimidazol-3-ium bromide",
"Lanthanum chloride heptahydrate",
"1-propanol"
] | [
2.2261,
4,
4.1614,
2.5584
] | Cucurbit[6]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[6]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[6]uril_103 | task2 | D | cyclobutylmethanaminium | [
"m-tolylmethanaminium",
"benzylazanium",
"Sulfur hexafluoride",
"cyclobutylmethanaminium"
] | [
1.5108,
2.4318,
4.4914,
5.778
] | Cucurbit[6]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[6]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[6]uril_104 | task2 | D | trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide | [
"1-Hexanol",
"1,10-Decanediammonium",
"1-Octylammonium",
"trans-4-[4-(Dimethylamino)styryl]-1-methylpyridinium iodide"
] | [
2.7076,
4.2227,
3.3222,
6.9025
] | Cucurbit[6]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[6]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[6]uril_105 | task2 | B | Sanguinarine | [
"Lithium ion",
"Sanguinarine",
"Ethanolamine",
"4-Methylbenzylamine"
] | [
2.38,
3.828,
2.58,
2.7898
] | Cucurbit[6]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[6]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[6]uril_106 | task2 | A | Ammonium chloride | [
"Ammonium chloride",
"Magnesium chloride",
"3-aminopropanoic acid",
"Glycyl-l-valine"
] | [
3.79,
2.57,
3.37,
3.1901
] | Cucurbit[6]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[6]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[6]uril_107 | task2 | B | 1-heptyl-3-methylimidazol-3-ium bromide | [
"Lithium chloride",
"1-heptyl-3-methylimidazol-3-ium bromide",
"l-leucyl-l-phenylalanine",
"p-tolylmethanaminium"
] | [
2.41,
4,
2.78,
2.7185
] | Cucurbit[6]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[6]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[6]uril_108 | task2 | C | 1-Heptylamine (fully protonated) | [
"1-Pentanol",
"3,4-Dihydroxybenzylamine hydrochloride",
"1-Heptylamine (fully protonated)",
"Propionic acid"
] | [
2.6726,
1,
3.7634,
2.7709
] | Cucurbit[6]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[6]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[6]uril_109 | task2 | C | Spermidine (fully protonated form) | [
"1-propanol",
"5-aminopentan-1-ol",
"Spermidine (fully protonated form)",
"1-heptanoic acid"
] | [
2.5584,
2.84,
8.6128,
2.7709
] | Cucurbit[6]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[6]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[6]uril_110 | task2 | C | 1-methyl-3-propylimidazol-1-ium;bromide | [
"Potassium cation",
"Glycine",
"1-methyl-3-propylimidazol-1-ium;bromide",
"p-tolylmethanaminium"
] | [
2.79,
3.67,
4,
2.7185
] | Cucurbit[6]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[6]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[6]uril_111 | task2 | A | Iron(III) chloride | [
"Iron(III) chloride",
"1-methyl-3-propylimidazol-1-ium;bromide",
"1-Octanoic acid",
"Sanguinarine"
] | [
5.1703,
4,
2.7482,
3.828
] | Cucurbit[6]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[6]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[6]uril_112 | task2 | A | 1-methyl-3-pentylimidazol-1-ium bromide | [
"1-methyl-3-pentylimidazol-1-ium bromide",
"L-Valine",
"[2,2'-bipyridin]-5-amine",
"Hexanoic acid"
] | [
5.3424,
3.1501,
5.2833,
2.7709
] | Cucurbit[6]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[6]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[6]uril_113 | task2 | B | Ammonium chloride | [
"4-Methylbenzylamine",
"Ammonium chloride",
"Potassium cation",
"1-Ethyl-3-methylmidazolium bromide"
] | [
2.7898,
3.79,
2.79,
0
] | Cucurbit[6]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[6]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[6]uril_114 | task2 | C | cyclopropylmethanaminium | [
"l-Leucyl-l-Valine",
"1,10-Decanediammonium",
"cyclopropylmethanaminium",
"1,2-Phenylenediamine"
] | [
2.79,
4.2227,
4.3771,
1
] | Cucurbit[6]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[6]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[6]uril_115 | task2 | D | 1-Pentanol | [
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"(Aminomethyl)trimethylsilane",
"m-tolylmethanaminium",
"1-Pentanol"
] | [
1,
1,
1.5108,
2.6726
] | Cucurbit[6]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[6]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[6]uril_116 | task2 | B | Glycyl-l-alanine | [
"Propionic acid",
"Glycyl-l-alanine",
"(Aminomethyl)trimethylsilane",
"3-aminopropanenitrile"
] | [
2.7709,
2.8,
1,
2.64
] | Cucurbit[6]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[6]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[6]uril_117 | task2 | A | 2,3-Diazabicyclo[2.2.1]-hept-2-ene | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Calcium cation",
"Ethylamine (protonated form)",
"P-Xylylenediamine"
] | [
3.1139,
2.8,
2.5548,
2.7404
] | Cucurbit[6]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[6]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[6]uril_118 | task2 | B | 6-aminohexanoic acid | [
"Copper chloride",
"6-aminohexanoic acid",
"l-Leucyl-l-Valine",
"Rubidium cation"
] | [
2.88,
3.57,
2.79,
2.68
] | Cucurbit[6]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[6]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[6]uril_119 | task2 | A | cylopenthylmethanaminium | [
"cylopenthylmethanaminium",
"butylamine (protonated form)",
"3,3-dimethylbutan-1-aminium",
"(Aminomethyl)trimethylsilane"
] | [
5.7322,
5,
1.244,
1
] | Cucurbit[6]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[6]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[6]uril_120 | task2 | A | 3-methylbutan-1-aminium | [
"3-methylbutan-1-aminium",
"Ethyne",
"Cyclohexylmethanaminium",
"Sodium cation"
] | [
4.5527,
1.8567,
1.9869,
3.2466
] | Cucurbit[6]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[6]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[6]uril_121 | task2 | D | Cesium chloride, Caesium chloride | [
"4-(Aminomethyl)pyridine",
"butylamine (protonated form)",
"Iron(III) chloride",
"Cesium chloride, Caesium chloride"
] | [
3.4771,
5,
5.1703,
5.3096
] | Cucurbit[6]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[6]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[6]uril_122 | task2 | D | Hexamethylenediamine | [
"Rubidium chloride",
"Isobutane-d10",
"1-Pentanoic acid",
"Hexamethylenediamine"
] | [
4.301,
5.959,
2.699,
6.4201
] | Cucurbit[6]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[6]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[6]uril_123 | task2 | D | butylamine (protonated form) | [
"Coptisine",
"Strontium chloride hexahydrate",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"butylamine (protonated form)"
] | [
4.1072,
4.9101,
1,
5
] | Cucurbit[6]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[6]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[6]uril_124 | task2 | C | Propane-d8 | [
"1-Heptylamine (fully protonated)",
"1-heptanoic acid",
"Propane-d8",
"Hexanoic acid"
] | [
3.7634,
2.7709,
5.2041,
2.7709
] | Cucurbit[6]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[6]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[6]uril_125 | task2 | A | Sodium chloride | [
"Sodium chloride",
"Glycine",
"1-Heptanol",
"benzylazanium"
] | [
3.89,
3.67,
2.6435,
2.4318
] | Cucurbit[6]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[6]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[6]uril_126 | task2 | C | N-Butyladamantan-1-aminium | [
"1-Heptylamine (fully protonated)",
"Sulfur hexafluoride",
"N-Butyladamantan-1-aminium",
"Xenon"
] | [
3.7634,
4.4914,
7.301,
3.4889
] | Cucurbit[6]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[6]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[6]uril_127 | task2 | A | Lanthanum chloride heptahydrate | [
"Lanthanum chloride heptahydrate",
"1-Butanol",
"4-Methylaniline",
"1-Pentanoic acid"
] | [
4.1614,
2.8089,
3.9533,
2.699
] | Cucurbit[6]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[6]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[6]uril_128 | task2 | C | Sodium chloride | [
"Ethyne",
"Nonanoic acid",
"Sodium chloride",
"Dimethyl sulfoxide"
] | [
1.8567,
2.7924,
3.89,
3.0792
] | Cucurbit[6]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[6]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[7]uril-tetramethylrhodamine conjugate_0 | task2 | D | P-Xylylenediamine | [
"Hexamethylenediamine",
"Phe-Gly-Gly",
"Methyl viologen",
"P-Xylylenediamine"
] | [
7.3365,
6.444,
6.7959,
9.1875
] | Cucurbit[7]uril-tetramethylrhodamine conjugate | 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[7]uril-tetramethylrhodamine conjugate in aqueous solution at standard conditions?
A. Hexameth... | eupmc | base |
t2_Cucurbit[8]uril_0 | task2 | C | Di-Trp Gly4 target | [
"3-Cyanophenol",
"Sanguinarine",
"Di-Trp Gly4 target",
"Lithium chloride"
] | [
3.716,
4.0828,
5.7197,
1.69
] | 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_1 | task2 | A | Acridine (protonated) | [
"Acridine (protonated)",
"beta-Estradiol",
"3-benzyl-1-vinyl-1H-imidazol-3-ium",
"L-Tryptophanamide"
] | [
9.716,
6.2788,
5.3948,
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_2 | task2 | B | 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium | [
"Acetone",
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"4-Bromophenol",
"Glycyl-phenylalanine"
] | [
3.4377,
6.4624,
3.9614,
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_3 | task2 | A | 1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium | [
"1,1'-diphenyl-[4,4'-bipyridine]-1,1'-diium",
"1,2,3-benzotriazole",
"N-Acetyl-L-tryptophanamide",
"Tetradecyltrimethylammonium bromide"
] | [
6.4624,
3.8062,
5.2007,
6.1644
] | 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_4 | task2 | B | Camphor | [
"3-Methoxyphenol",
"Camphor",
"Pyrenyl-polyethylene-glycol-polymer",
"L-Tyrosyl-L-Phenylalanyl-L-alanine"
] | [
3.8062,
7.4843,
4.946,
6.5378
] | 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_5 | task2 | A | Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine | [
"Methionyl-Tyrosyl-Glycyl-Glycyl-Tyrosine",
"L-Phenylalanine",
"Mono-Trp Gly6 target",
"Dopamine hydrochloride"
] | [
6.7959,
3.6811,
4.2517,
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_6 | task2 | C | Geranylamine | [
"1,2-Dihydroxybenzene",
"Hydroquinone",
"Geranylamine",
"1,7-Dihydroxynaphthalene"
] | [
4.1505,
3.7873,
8.9018,
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_7 | task2 | C | Dibenzofuran-polyethylene-glycol-polymer-2 | [
"Anthracene-polyethylene-glycol-polymer",
"1,4-dimethoxybenzene",
"Dibenzofuran-polyethylene-glycol-polymer-2",
"Calcium chloride"
] | [
3.7727,
3.6335,
5.4331,
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_8 | task2 | B | Anthracene | [
"1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium",
"Anthracene",
"Dopamine",
"2,3-Dihydroxynaphthalene"
] | [
6,
6.2041,
6,
5.4297
] | 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_9 | task2 | D | 6,7-diazabicyclo(3.2.2)non-6-ene | [
"4-Iodophenol",
"Oxazine 1",
"rotenone",
"6,7-diazabicyclo(3.2.2)non-6-ene"
] | [
3.9886,
5.7559,
3.6812,
5.7672
] | 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_10 | task2 | C | 6-Methyl-6-dehydro-17alpha-acetoxyprogesterone | [
"di-methyl viologen gly4 scaffold",
"Hydroquinone",
"6-Methyl-6-dehydro-17alpha-acetoxyprogesterone",
"4-Cyanophenol"
] | [
6.3424,
3.7873,
7.2041,
3.5754
] | 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_11 | task2 | C | 3,9-Dihydroxytriamantane | [
"beta-Estradiol-17-acetate",
"L-methionyl-L-leucylglycylglycyl-L-tyrosine",
"3,9-Dihydroxytriamantane",
"3-benzyl-1-vinyl-1H-imidazol-3-ium"
] | [
6.8129,
6.5224,
6.8744,
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_12 | task2 | C | Leu-met-ala | [
"2-Hydroxynaphthalene-triethylene-glycol",
"Barium chloride",
"Leu-met-ala",
"1-methyl-3-[[4-[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl]phenyl]methyl]imidazol-1-ium"
] | [
5.6275,
3.95,
6.2227,
5.2967
] | 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_13 | task2 | B | Phenoxy-1,2-dioxetane | [
"3-Indolepropionic acid",
"Phenoxy-1,2-dioxetane",
"Strontium chloride hexahydrate",
"5-Methoxyindole"
] | [
3.3617,
6.248,
3.63,
4.6628
] | 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_14 | task2 | A | Corticosterone | [
"Corticosterone",
"1,3-Dihydroxybenzene",
"Tetrahydrofuran",
"L-tyrosyl-L-tyrosyl-L-alanine"
] | [
7.1139,
3.716,
4.0814,
6.1553
] | 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_15 | task2 | B | L-Tyrosyl-L-Lysyl-L-Alanine | [
"2-napthyl-NHCOO-5kPEGOMe",
"L-Tyrosyl-L-Lysyl-L-Alanine",
"Benzimidazole",
"3-(3,4,5-trifluorobenzyl)-1-vinyl-1H-imidazol-3-ium"
] | [
5.1131,
6.699,
3.8751,
5.9931
] | 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_16 | task2 | B | Proflavine | [
"Isodoxa",
"Proflavine",
"1-Hydroxynaphthalene",
"1,6-Dihydroxynaphthalene"
] | [
5.3096,
7.2788,
5.6021,
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_17 | task2 | D | Biphenyl-Polyethylene-Glycol-Polymer-2 | [
"3-(4-hydroxyphenyl)-2-oxopropanoic acid",
"Penicillin G",
"Strontium chloride hexahydrate",
"Biphenyl-Polyethylene-Glycol-Polymer-2"
] | [
4.2304,
3,
3.63,
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_18 | task2 | C | Biphenyl-Polyethylene-Glycol-Polymer-2 | [
"chloramphenicol",
"Dopamine hydrochloride",
"Biphenyl-Polyethylene-Glycol-Polymer-2",
"5-Hydroxy-L-Tryptophan"
] | [
3,
3,
5.1515,
3.8948
] | 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_19 | task2 | A | tri-methyl viologen scaffold | [
"tri-methyl viologen scaffold",
"Lys-met-ala",
"naproxen",
"Diethyl ether"
] | [
6.2041,
6.0492,
3.301,
3.7501
] | 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_20 | task2 | B | 1-(3-aminopropyl)-4-4'-bipyridinium | [
"Somatostatin",
"1-(3-aminopropyl)-4-4'-bipyridinium",
"Fluorenyl-polyethylene-glycol-polymer",
"1,3-Benzodioxol-5-ol"
] | [
4.2304,
11.0792,
5.5207,
4.3116
] | 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_21 | task2 | B | Hydrocortisone | [
"1-NAPTHYL-NHCOO-5KPEGOME",
"Hydrocortisone",
"1,3-Dihydroxybenzene",
"Nickel chloride"
] | [
4.3295,
6.6021,
3.716,
2.73
] | 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_22 | task2 | A | Cobaltocenium | [
"Cobaltocenium",
"Dibenzofuran-polyethylene-glycol-polymer-2",
"Mono-Trp Gly4 target",
"Tryptamine"
] | [
8.8388,
5.4331,
4.2675,
4.7101
] | 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_23 | task2 | C | Cobaltocenium | [
"naproxen",
"4-ethylphenol",
"Cobaltocenium",
"Tetradecyltrimethylammonium bromide"
] | [
3.301,
3.0792,
8.8388,
6.1644
] | 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_24 | task2 | D | Proflavine | [
"Phenoxy-1,2-dioxetane",
"Acetonitrile",
"Anthracene",
"Proflavine"
] | [
6.248,
3,
6.2041,
7.2788
] | 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_25 | task2 | D | 1-(3-aminopropyl)-4-4'-bipyridinium | [
"17-alpha-Ethinyl estradiol",
"4-Nitro-D-phenylalanine",
"Tropicamide",
"1-(3-aminopropyl)-4-4'-bipyridinium"
] | [
6.2553,
4.699,
3.1461,
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_26 | task2 | C | L-tyrosyl-L-leucyl-L-alanine | [
"cis-azobenzene-TEG",
"AntNMe2+-2kPEG-OMe",
"L-tyrosyl-L-leucyl-L-alanine",
"2-napthyl-NHCOO-5kPEGOMe"
] | [
3,
5.1901,
8.143,
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_27 | task2 | D | 17-alpha-Ethinyl estradiol | [
"naphthalene",
"3-Methoxyphenol",
"2-(2,5-dihydroxyphenyl)acetic acid",
"17-alpha-Ethinyl estradiol"
] | [
4.645,
3.8062,
2.1461,
6.2553
] | 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_28 | task2 | C | (Trimethylamino)methyl)ferrocene | [
"dibenzofuran polyethylene glycol monomethyl ether polymer",
"methionyllysylalanine",
"(Trimethylamino)methyl)ferrocene",
"1,1'-bis(4-nitrophenyl)-[4,4'-bipyridine]-1,1'-diium"
] | [
5.3741,
5.5855,
9.9138,
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_29 | task2 | D | methionyllysylalanine | [
"3-trimethylsilylpropionic -2,2,3,3-d4-acid",
"4-Ethoxyphenol",
"(S)-(-)-Propranolol hydrochloride",
"methionyllysylalanine"
] | [
1,
3,
3.9375,
5.5855
] | 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_30 | task2 | B | 1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium | [
"Sodium chloride",
"1-methyl-3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]naphthalen-2-yl]methyl]imidazol-1-ium",
"1,1'-bis(4-cyanophenyl)-[4,4'-bipyridine]-1,1'-diium",
"D/L-Adrenaline"
] | [
2.49,
6.5539,
6.3979,
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_31 | task2 | D | 1,3-Bis(trimethylaminio)adamantane | [
"Ala-Lys-Trp-Ala-Ala",
"Tetradecyltrimethylammonium bromide",
"2-napthyl-NHCOO-5kPEGOMe",
"1,3-Bis(trimethylaminio)adamantane"
] | [
4.2304,
6.1644,
5.1131,
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_32 | task2 | D | 1-Adamantanol | [
"4-Fluorophenol",
"L-Tyrosyl-L-Lysyl-L-Alanine",
"Leu-met-ala",
"1-Adamantanol"
] | [
3.8325,
6.699,
6.2227,
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_33 | task2 | A | Leu-met-ala | [
"Leu-met-ala",
"Magnesium chloride",
"DBF-NHCOO-5kPEG-OMe",
"3-trimethylsilylpropionic -2,2,3,3-d4-acid"
] | [
6.2227,
2.72,
5.092,
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_34 | task2 | D | 6-Methoxy-2-naphthol | [
"Glycyl-phenylalanine",
"5-Methoxyindole",
"4-Cyanophenol",
"6-Methoxy-2-naphthol"
] | [
3.8451,
4.6628,
3.5754,
5.7033
] | 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_35 | task2 | A | Phe-Gly-Gly | [
"Phe-Gly-Gly",
"2,7-dimethyldiazapyrenium",
"Leu-met-ala",
"3-benzyl-1-vinyl-1H-imidazol-3-ium"
] | [
11.1761,
5.9368,
6.2227,
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_36 | task2 | A | Phenoxy-1,2-dioxetane | [
"Phenoxy-1,2-dioxetane",
"1,1'-bis(4-aminophenyl)-[4,4'-bipyridine]-1,1'-diium",
"Gly-Gly-Trp",
"4-Chlorophenol"
] | [
6.248,
5.8261,
3.5521,
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_37 | task2 | D | Coumarin 7 | [
"3-Cyanophenol",
"Di-Trp Gly6 target",
"Anthracene",
"Coumarin 7"
] | [
3.716,
5.6809,
6.2041,
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 |
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