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_Positand 1_9 | task2 | D | 1-Adamantanecarboxylic acid | [
"Sodium chloride",
"Sodium trichloroacetate",
"Sodium perchlorate",
"1-Adamantanecarboxylic acid"
] | [
2.0792,
4.847,
3.5069,
6.8579
] | Positand 1 | 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 Positand 1 in aqueous solution at standard conditions?
A. Sodium chloride (SMILES: [Na+].[Cl-]).
B. So... | eupmc | base |
t2_Positand 1_10 | task2 | D | Sodium trichloroacetate | [
"Sodium chloride",
"Sodium thiocyanate",
"Sodium iodide",
"Sodium trichloroacetate"
] | [
2.0792,
3.1101,
3.5051,
4.847
] | Positand 1 | 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 Positand 1 in aqueous solution at standard conditions?
A. Sodium chloride (SMILES: [Na+].[Cl-]).
B. So... | eupmc | base |
t2_Positand 1_11 | task2 | A | 4-Methylbenzoic acid | [
"4-Methylbenzoic acid",
"Sodium trifluoromethanesulfonate",
"Sodium perchlorate",
"Sodium iodide"
] | [
4.4843,
3.2752,
3.5069,
3.5051
] | Positand 1 | 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 Positand 1 in aqueous solution at standard conditions?
A. 4-Methylbenzoic acid (SMILES: CC1=CC=C(C=C1)... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_0 | task2 | B | L-Tryptophan | [
"Benzene",
"L-Tryptophan",
"1,10-Diaminodecane",
"1,7-Diaminoheptane"
] | [
3.877,
6.5051,
4.3802,
3.4472
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_1 | task2 | A | 1,3-Dihydroxybenzene | [
"1,3-Dihydroxybenzene",
"m-Phenylenediamine",
"1,8-Diaminooctane",
"Dopamine"
] | [
5.1139,
4.7482,
3.7324,
4.8513
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_2 | task2 | C | Benzidine | [
"1,8-Diaminooctane",
"4-Nitrophenol",
"Benzidine",
"m-Phenylenediamine"
] | [
3.7324,
3.3979,
6.6628,
4.7482
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_3 | task2 | A | 1,2-Phenylenediamine | [
"1,2-Phenylenediamine",
"Uracil",
"Methyl viologen",
"P-Xylylenediamine"
] | [
5.3979,
3.7782,
4.3424,
4.7324
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_4 | task2 | D | 1,2-Dihydroxybenzene | [
"1,10-Diaminodecane",
"L-Phenylalanine",
"p-Phenylenediamine",
"1,2-Dihydroxybenzene"
] | [
4.3802,
4.6232,
4.9031,
5.4624
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_5 | task2 | C | 1,3-Dihydroxybenzene | [
"Benzene",
"Aniline",
"1,3-Dihydroxybenzene",
"Hydroquinone"
] | [
3.877,
4.6532,
5.1139,
4.8808
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_6 | task2 | A | p-Phenylenediamine | [
"p-Phenylenediamine",
"Benzoic acid",
"Cytosine",
"2,4,6-Trinitrophenol"
] | [
4.9031,
4.3979,
3.8451,
4.5798
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_7 | task2 | B | Benzidine | [
"1,8-Diaminooctane",
"Benzidine",
"Benzene",
"1,9-Diaminononane"
] | [
3.7324,
6.6628,
3.877,
4.2553
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_8 | task2 | A | Benzidine | [
"Benzidine",
"4-Nitrophenol",
"m-Phenylenediamine",
"P-Xylylenediamine"
] | [
6.6628,
3.3979,
4.7482,
4.7324
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_9 | task2 | D | Nile Blue chloride | [
"4-Nitrophenol",
"Cytosine",
"Dopamine",
"Nile Blue chloride"
] | [
3.3979,
3.8451,
4.8513,
6.0414
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_10 | task2 | B | 1,2-Dihydroxybenzene | [
"1,12-Diaminododecane",
"1,2-Dihydroxybenzene",
"Cytosine",
"1,9-Diaminononane"
] | [
4.301,
5.4624,
3.8451,
4.2553
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_11 | task2 | B | Nile Red | [
"Aniline",
"Nile Red",
"1,8-Diaminooctane",
"1,10-Diaminodecane"
] | [
4.6532,
6.9138,
3.7324,
4.3802
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_12 | task2 | A | Nile Red | [
"Nile Red",
"Nile Blue chloride",
"L-Tryptophan",
"Benzoic acid"
] | [
6.9138,
6.0414,
6.5051,
4.3979
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_13 | task2 | D | 1,2-Dihydroxybenzene | [
"Methyl viologen",
"m-Phenylenediamine",
"P-Xylylenediamine",
"1,2-Dihydroxybenzene"
] | [
4.3424,
4.7482,
4.7324,
5.4624
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_14 | task2 | D | Benzidine | [
"Aniline",
"L-Tyrosine",
"Phenol",
"Benzidine"
] | [
4.6532,
4.7559,
4.8692,
6.6628
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_15 | task2 | B | Hydroquinone | [
"Methyl viologen",
"Hydroquinone",
"1,11-Diaminoundecane",
"L-Tyrosine"
] | [
4.3424,
4.8808,
4.3617,
4.7559
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_16 | task2 | A | P-Xylylenediamine | [
"P-Xylylenediamine",
"Aniline",
"4-Nitrophenol",
"Hexamethylenediamine"
] | [
4.7324,
4.6532,
3.3979,
2.5826
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_17 | task2 | D | 1,3-Dihydroxybenzene | [
"P-Xylylenediamine",
"Adenine",
"2,4,6-Trinitrophenol",
"1,3-Dihydroxybenzene"
] | [
4.7324,
4.6435,
4.5798,
5.1139
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_18 | task2 | A | Benzidine | [
"Benzidine",
"4-Nitrophenol",
"Thymine",
"1,10-Diaminodecane"
] | [
6.6628,
3.3979,
3.5798,
4.3802
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_19 | task2 | A | Hydroquinone | [
"Hydroquinone",
"L-Tyrosine",
"Hexamethylenediamine",
"1,7-Diaminoheptane"
] | [
4.8808,
4.7559,
2.5826,
3.4472
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_20 | task2 | B | Benzidine | [
"Aniline",
"Benzidine",
"2,4,6-Trinitrophenol",
"Uracil"
] | [
4.6532,
6.6628,
4.5798,
3.7782
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_21 | task2 | C | L-Tryptophan | [
"L-Tyrosine",
"p-Phenylenediamine",
"L-Tryptophan",
"Nile Blue chloride"
] | [
4.7559,
4.9031,
6.5051,
6.0414
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_22 | task2 | A | Nile Blue chloride | [
"Nile Blue chloride",
"1,8-Diaminooctane",
"1,2-Phenylenediamine",
"Methyl viologen"
] | [
6.0414,
3.7324,
5.3979,
4.3424
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_23 | task2 | D | 1,3-Dihydroxybenzene | [
"Thymine",
"Benzene",
"1,12-Diaminododecane",
"1,3-Dihydroxybenzene"
] | [
3.5798,
3.877,
4.301,
5.1139
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_24 | task2 | A | Benzidine | [
"Benzidine",
"L-Tyrosine",
"1,9-Diaminononane",
"Hydroquinone"
] | [
6.6628,
4.7559,
4.2553,
4.8808
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_25 | task2 | A | Benzidine | [
"Benzidine",
"p-Phenylenediamine",
"4-Nitrophenol",
"Hexamethylenediamine"
] | [
6.6628,
4.9031,
3.3979,
2.5826
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_26 | task2 | C | m-Phenylenediamine | [
"L-Phenylalanine",
"4-Nitrophenol",
"m-Phenylenediamine",
"Cytosine"
] | [
4.6232,
3.3979,
4.7482,
3.8451
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_27 | task2 | B | 1,2-Dihydroxybenzene | [
"Dopamine",
"1,2-Dihydroxybenzene",
"Thymine",
"1,2-Phenylenediamine"
] | [
4.8513,
5.4624,
3.5798,
5.3979
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_28 | task2 | A | 1,2-Dihydroxybenzene | [
"1,2-Dihydroxybenzene",
"1,7-Diaminoheptane",
"2,4,6-Trinitrophenol",
"1,2-Phenylenediamine"
] | [
5.4624,
3.4472,
4.5798,
5.3979
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_29 | task2 | A | Nile Red | [
"Nile Red",
"1,2-Dihydroxybenzene",
"Hexamethylenediamine",
"1,7-Diaminoheptane"
] | [
6.9138,
5.4624,
2.5826,
3.4472
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_30 | task2 | D | Nile Red | [
"1,3-Dihydroxybenzene",
"Cytosine",
"1,9-Diaminononane",
"Nile Red"
] | [
5.1139,
3.8451,
4.2553,
6.9138
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril_31 | task2 | B | 1,2-Dihydroxybenzene | [
"Dopamine",
"1,2-Dihydroxybenzene",
"1,11-Diaminoundecane",
"Phenol"
] | [
4.8513,
5.4624,
4.3617,
4.8692
] | Tetrahydropyridazinophthalazine-tetraone functionalized 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 Tetrahydropyridazinophthalazine-tetraone functionalized Cucurbit[6]uril in aqueous solution at standard... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_0 | task2 | B | Dopamine | [
"2-Phenylethylamine",
"Dopamine",
"Ethanolamine",
"Propranolol"
] | [
2.0086,
2.3909,
1.7324,
2.3096
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_1 | task2 | C | Propranolol | [
"2-Phenylethylamine",
"2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride",
"Propranolol",
"Ethanolamine"
] | [
2.0086,
2.1367,
2.3096,
1.7324
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_2 | task2 | D | Dopamine | [
"Ethanolamine",
"L-Noradrenaline",
"Epinephrine,L-Adrenaline",
"Dopamine"
] | [
1.7324,
2.3324,
2.1847,
2.3909
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_3 | task2 | C | L-Noradrenaline | [
"Ethanolamine",
"Epinephrine,L-Adrenaline",
"L-Noradrenaline",
"2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride"
] | [
1.7324,
2.1847,
2.3324,
2.1367
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_4 | task2 | A | L-Noradrenaline | [
"L-Noradrenaline",
"Ethanolamine",
"2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride",
"Propranolol"
] | [
2.3324,
1.7324,
2.1367,
2.3096
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_5 | task2 | A | Propranolol | [
"Propranolol",
"2-Amino-1-(4-nitrophenyl)-1,3-propanediol hydrochloride",
"Ethanolamine",
"Epinephrine,L-Adrenaline"
] | [
2.3096,
2.1367,
1.7324,
2.1847
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate)_6 | task2 | D | Dopamine | [
"Ethanolamine",
"2-Phenylethylamine",
"Epinephrine,L-Adrenaline",
"Dopamine"
] | [
1.7324,
2.0086,
2.1847,
2.3909
] | Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzenacyclohexadecaphane-13,33,92,113-tetrayl)tetrakis(methylene))tetrakis(phosphonate) | 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 Tetramethyl((2,2,10,10-tetramethyl-65,145-dinitro-4,8,12,16-tetraoxa-1,3,9,11(1,4),6,14(1,3)-hexabenzen... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_0 | task2 | C | (6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium | [
"Tetraethylammonium iodide",
"Morphine",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Tetramethylammonium iodide"
] | [
4.7482,
4.4314,
5.5563,
2.9294
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_1 | task2 | D | (6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium | [
"Acetylcholine chloride",
"Isoquinoline",
"Tetraethylammonium iodide",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium"
] | [
3.5911,
3.3222,
4.7482,
5.5563
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_2 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"Morphine",
"Tetramethylammonium iodide",
"Tetraethylammonium iodide"
] | [
5.7223,
4.4314,
2.9294,
4.7482
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_3 | task2 | A | Morphine methiodide | [
"Morphine methiodide",
"Tetramethylammonium iodide",
"Adamantan-1-yl-trimethyl-ammonium",
"Acetylcholine chloride"
] | [
5.7324,
2.9294,
5.7223,
3.5911
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_4 | task2 | A | (6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium | [
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Tetramethylammonium iodide",
"Acetylcholine chloride",
"2-methylisoquinolin-2-ium"
] | [
5.5563,
2.9294,
3.5911,
4.6532
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_5 | task2 | A | 2-methylisoquinolin-2-ium | [
"2-methylisoquinolin-2-ium",
"Isoquinoline",
"Acetylcholine chloride",
"Morphine"
] | [
4.6532,
3.3222,
3.5911,
4.4314
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_6 | task2 | A | Morphine methiodide | [
"Morphine methiodide",
"Tetramethylammonium iodide",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"1-Azatricyclo[3.3.3.0]undecan-1-ylium chloride"
] | [
5.7324,
2.9294,
5.5563,
5.3802
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_7 | task2 | A | Adamantan-1-yl-trimethyl-ammonium | [
"Adamantan-1-yl-trimethyl-ammonium",
"Acetylcholine chloride",
"2-methylisoquinolin-2-ium",
"Tetramethylammonium iodide"
] | [
5.7223,
3.5911,
4.6532,
2.9294
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_8 | task2 | B | Adamantan-1-yl-trimethyl-ammonium | [
"Tetraethylammonium iodide",
"Adamantan-1-yl-trimethyl-ammonium",
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Tetramethylammonium iodide"
] | [
4.7482,
5.7223,
5.5563,
2.9294
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_9 | task2 | A | (6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium | [
"(6S,11R,12R)-6,11-dihydro-6,11-[1,2]epicyclopentapyrido[1,2-b]isoquinolin-5-ium",
"Tetraethylammonium iodide",
"Morphine",
"Acetylcholine chloride"
] | [
5.5563,
4.7482,
4.4314,
3.5911
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane_10 | task2 | C | Morphine methiodide | [
"Adamantan-1-yl-trimethyl-ammonium",
"Isoquinoline",
"Morphine methiodide",
"Acetylcholine chloride"
] | [
5.7223,
3.3222,
5.7324,
3.5911
] | Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane | 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 Tri(9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylic acid)-cyclophane in aqueous solution at stand... | eupmc | base |
t2_Triphenylene receptor_0 | task2 | A | L-Tryptophan methyl ester | [
"L-Tryptophan methyl ester",
"D-Cellobiose",
"L-Tyrosine",
"L-Phenylalanine"
] | [
2.2041,
0,
0,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. L-Tryptophan methyl ester (SMILES... | eupmc | base |
t2_Triphenylene receptor_1 | task2 | C | Serotonin | [
"D-Glucose",
"Acetylcholine",
"Serotonin",
"D-Fructose"
] | [
0,
1.9731,
2.3032,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. D-Glucose (SMILES: C(C1C(C(C(C(O1... | eupmc | base |
t2_Triphenylene receptor_2 | task2 | B | Benzyltriethylammonium | [
"Epinephrine,L-Adrenaline",
"Benzyltriethylammonium",
"Serotonin",
"D-Fructose"
] | [
2.3096,
2.5465,
2.3032,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Epinephrine,L-Adrenaline (SMILES:... | eupmc | base |
t2_Triphenylene receptor_3 | task2 | A | L-Noradrenaline | [
"L-Noradrenaline",
"Acetylcholine",
"L-Tyrosine",
"D-Fructose"
] | [
2.2695,
1.9731,
0,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. L-Noradrenaline (SMILES: C1=CC(=C... | eupmc | base |
t2_Triphenylene receptor_4 | task2 | C | Epinephrine,L-Adrenaline | [
"D-Glucosamine",
"D-Cellobiose",
"Epinephrine,L-Adrenaline",
"(-)-ephedrine"
] | [
1.9395,
0,
2.3096,
2.2625
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. D-Glucosamine (SMILES: C(C1C(C(C(... | eupmc | base |
t2_Triphenylene receptor_5 | task2 | D | Benzyltriethylammonium | [
"Dopamine",
"Acetylcholine",
"(-)-ephedrine",
"Benzyltriethylammonium"
] | [
2.2878,
1.9731,
2.2625,
2.5465
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CC... | eupmc | base |
t2_Triphenylene receptor_6 | task2 | A | Benzyltriethylammonium | [
"Benzyltriethylammonium",
"D-Fructose",
"L-Tryptophan methyl ester",
"Benzyltrimethylammonium"
] | [
2.5465,
0,
2.2041,
2.4425
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Benzyltriethylammonium (SMILES: C... | eupmc | base |
t2_Triphenylene receptor_7 | task2 | A | Dopamine | [
"Dopamine",
"L-3,4-Dihydroxyphenylalanine",
"Acetylcholine",
"L-Noradrenaline"
] | [
2.2878,
0,
1.9731,
2.2695
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CC... | eupmc | base |
t2_Triphenylene receptor_8 | task2 | A | Epinephrine,L-Adrenaline | [
"Epinephrine,L-Adrenaline",
"Vitamin C",
"(-)-ephedrine",
"Dopamine"
] | [
2.3096,
0,
2.2625,
2.2878
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Epinephrine,L-Adrenaline (SMILES:... | eupmc | base |
t2_Triphenylene receptor_9 | task2 | C | Benzyltrimethylammonium | [
"L-Tryptophan",
"L-Tyrosine",
"Benzyltrimethylammonium",
"D-Glucose"
] | [
0,
0,
2.4425,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. L-Tryptophan (SMILES: C1=CC=C2C(=... | eupmc | base |
t2_Triphenylene receptor_10 | task2 | C | Epinephrine,L-Adrenaline | [
"Dopamine",
"L-Tryptophan",
"Epinephrine,L-Adrenaline",
"Serotonin"
] | [
2.2878,
0,
2.3096,
2.3032
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CC... | eupmc | base |
t2_Triphenylene receptor_11 | task2 | D | Dopamine | [
"Acetylcholine",
"L-Phenylalanine",
"L-Tryptophan methyl ester",
"Dopamine"
] | [
1.9731,
0,
2.2041,
2.2878
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Acetylcholine (SMILES: CC(=O)OCC[... | eupmc | base |
t2_Triphenylene receptor_12 | task2 | A | Dopamine | [
"Dopamine",
"D-Glucose",
"Acetylcholine",
"Vitamin C"
] | [
2.2878,
0,
1.9731,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CC... | eupmc | base |
t2_Triphenylene receptor_13 | task2 | A | Serotonin | [
"Serotonin",
"D-Fructose",
"Dopamine",
"L-Noradrenaline"
] | [
2.3032,
0,
2.2878,
2.2695
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Serotonin (SMILES: C1=CC2=C(C=C1O... | eupmc | base |
t2_Triphenylene receptor_14 | task2 | B | Benzyltrimethylammonium | [
"Dopamine",
"Benzyltrimethylammonium",
"D-Glucose",
"1,2-Dihydroxybenzene"
] | [
2.2878,
2.4425,
0,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Dopamine (SMILES: C1=CC(=C(C=C1CC... | eupmc | base |
t2_Triphenylene receptor_15 | task2 | C | Epinephrine,L-Adrenaline | [
"L-Phenylalanine",
"D-Glucosamine",
"Epinephrine,L-Adrenaline",
"L-3,4-Dihydroxyphenylalanine"
] | [
0,
1.9395,
2.3096,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. L-Phenylalanine (SMILES: C1=CC=C(... | eupmc | base |
t2_Triphenylene receptor_16 | task2 | D | Benzyltriethylammonium | [
"L-Tryptophan methyl ester",
"Dopamine",
"D-Fructose",
"Benzyltriethylammonium"
] | [
2.2041,
2.2878,
0,
2.5465
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. L-Tryptophan methyl ester (SMILES... | eupmc | base |
t2_Triphenylene receptor_17 | task2 | D | Epinephrine,L-Adrenaline | [
"1,2-Dihydroxybenzene",
"D-Fructose",
"L-Tyrosine",
"Epinephrine,L-Adrenaline"
] | [
0,
0,
0,
2.3096
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. 1,2-Dihydroxybenzene (SMILES: C1=... | eupmc | base |
t2_Triphenylene receptor_18 | task2 | C | Benzyltrimethylammonium | [
"Vitamin C",
"L-Tryptophan",
"Benzyltrimethylammonium",
"Tyramine"
] | [
0,
0,
2.4425,
2.3747
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Vitamin C (SMILES: C(C(C1C(=C(C(=... | eupmc | base |
t2_Triphenylene receptor_19 | task2 | B | Serotonin | [
"D-Cellobiose",
"Serotonin",
"Acetylcholine",
"L-Tryptophan methyl ester"
] | [
0,
2.3032,
1.9731,
2.2041
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. D-Cellobiose.
B. Serotonin (SMILE... | eupmc | base |
t2_Triphenylene receptor_20 | task2 | A | Benzyltrimethylammonium | [
"Benzyltrimethylammonium",
"Serotonin",
"Acetylcholine",
"L-Phenylalanine"
] | [
2.4425,
2.3032,
1.9731,
0
] | Triphenylene receptor | 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 Triphenylene receptor in aqueous solution at standard conditions?
A. Benzyltrimethylammonium (SMILES: ... | eupmc | base |
t2_Uramildiacetic acid_0 | task2 | A | Calcium cation | [
"Calcium cation",
"Barium cation",
"Magnesium cation",
"Sodium cation"
] | [
8.3096,
6.1303,
8.1903,
3.33
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_1 | task2 | D | Calcium cation | [
"Magnesium cation",
"Barium cation",
"Potassium cation",
"Calcium cation"
] | [
8.1903,
6.1303,
1.94,
8.3096
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_2 | task2 | C | Calcium cation | [
"Lithium ion",
"Sodium cation",
"Calcium cation",
"Magnesium cation"
] | [
5.6096,
3.33,
8.3096,
8.1903
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_3 | task2 | B | Strontium cation | [
"Potassium cation",
"Strontium cation",
"Barium cation",
"Lithium ion"
] | [
1.94,
6.9299,
6.1303,
5.6096
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_4 | task2 | D | Strontium cation | [
"Lithium ion",
"Sodium cation",
"Potassium cation",
"Strontium cation"
] | [
5.6096,
3.33,
1.94,
6.9299
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_5 | task2 | D | Calcium cation | [
"Barium cation",
"Strontium cation",
"Sodium cation",
"Calcium cation"
] | [
6.1303,
6.9299,
3.33,
8.3096
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Uramildiacetic acid_6 | task2 | A | Calcium cation | [
"Calcium cation",
"Strontium cation",
"Sodium cation",
"Magnesium cation"
] | [
8.3096,
6.9299,
3.33,
8.1903
] | Uramildiacetic acid | 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 Uramildiacetic acid (SMILES: C(C(=O)O)N(CC(=O)O)C1C(=O)NC(=O)NC1=O) in aqueous solution at standard con... | eupmc | base |
t2_Zeolite L3.0_0 | task2 | D | 4-(2-amino-1-hydroxyethyl)phenol | [
"L-Tryptophan",
"2-Phenylethylamine",
"Histamine",
"4-(2-amino-1-hydroxyethyl)phenol"
] | [
3.2219,
3.7212,
3.4437,
4.2826
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. L-Tryptophan (SMILES: C1=CC=C2C(=C1)C(=CN2... | eupmc | base |
t2_Zeolite L3.0_1 | task2 | D | L-Tryptophanamide | [
"Indole",
"5-Hydroxy-L-Tryptophan",
"2-Phenylethylamine",
"L-Tryptophanamide"
] | [
3.886,
3.886,
3.7212,
4.8337
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. Indole (SMILES: C1=CC=C2C(=C1)C=CN2).
B. 5... | eupmc | base |
t2_Zeolite L3.0_2 | task2 | D | Tryptamine | [
"4-(2-amino-1-hydroxyethyl)phenol",
"5-Hydroxy-L-Tryptophan",
"2-Phenylethylamine",
"Tryptamine"
] | [
4.2826,
3.886,
3.7212,
5.9893
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. 4-(2-amino-1-hydroxyethyl)phenol (SMILES: ... | eupmc | base |
t2_Zeolite L3.0_3 | task2 | C | Tryptamine | [
"L-Tryptophanamide",
"Indole",
"Tryptamine",
"4-(2-amino-1-hydroxyethyl)phenol"
] | [
4.8337,
3.886,
5.9893,
4.2826
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. L-Tryptophanamide (SMILES: C1=CC=C2C(=C1)C... | eupmc | base |
t2_Zeolite L3.0_4 | task2 | B | 4-(2-amino-1-hydroxyethyl)phenol | [
"5-Hydroxy-L-Tryptophan",
"4-(2-amino-1-hydroxyethyl)phenol",
"L-Tryptophan",
"Indole"
] | [
3.886,
4.2826,
3.2219,
3.886
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. 5-Hydroxy-L-Tryptophan (SMILES: C1=CC2=C(C... | eupmc | base |
t2_Zeolite L3.0_5 | task2 | B | Tryptamine | [
"5-Hydroxy-L-Tryptophan",
"Tryptamine",
"L-Tryptophan",
"Histamine"
] | [
3.886,
5.9893,
3.2219,
3.4437
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. 5-Hydroxy-L-Tryptophan (SMILES: C1=CC2=C(C... | eupmc | base |
t2_Zeolite L3.0_6 | task2 | A | L-Tryptophanamide | [
"L-Tryptophanamide",
"L-Tryptophan",
"2-Phenylethylamine",
"5-Hydroxy-L-Tryptophan"
] | [
4.8337,
3.2219,
3.7212,
3.886
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. L-Tryptophanamide (SMILES: C1=CC=C2C(=C1)C... | eupmc | base |
t2_Zeolite L3.0_7 | task2 | B | L-Tryptophanamide | [
"L-Tryptophan",
"L-Tryptophanamide",
"4-(2-amino-1-hydroxyethyl)phenol",
"5-Hydroxy-L-Tryptophan"
] | [
3.2219,
4.8337,
4.2826,
3.886
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. L-Tryptophan (SMILES: C1=CC=C2C(=C1)C(=CN2... | eupmc | base |
t2_Zeolite L3.0_8 | task2 | C | Tyramine hydrochloride | [
"Histamine",
"4-(2-amino-1-hydroxyethyl)phenol",
"Tyramine hydrochloride",
"L-Tryptophan"
] | [
3.4437,
4.2826,
4.887,
3.2219
] | Zeolite L3.0 | 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 Zeolite L3.0 in aqueous solution at standard conditions?
A. Histamine (SMILES: C1=C(NC=N1)CCN).
B. 4-(... | eupmc | base |
t2_Zeolite Y15 (FAU15)_0 | task2 | D | Serotonin | [
"Dopamine hydrochloride",
"Indole",
"L-Tryptophan",
"Serotonin"
] | [
5.5301,
5.301,
5.2672,
6.1731
] | Zeolite Y15 (FAU15) | 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 Zeolite Y15 (FAU15) in aqueous solution at standard conditions?
A. Dopamine hydrochloride (SMILES: C1=... | eupmc | base |
t2_Zeolite Y2.55 (FAU)_0 | task2 | D | Serotonin | [
"Dopamine hydrochloride",
"Histamine",
"Noradrenaline hydrochloride",
"Serotonin"
] | [
5.0212,
4.2529,
4.5855,
6.2014
] | Zeolite Y2.55 (FAU) | 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 Zeolite Y2.55 (FAU) in aqueous solution at standard conditions?
A. Dopamine hydrochloride (SMILES: C1=... | eupmc | base |
t2_Zeolite Y2.55 (FAU)_1 | task2 | D | Serotonin | [
"Epinephrine hydrochloride",
"Histamine",
"Dopamine hydrochloride",
"Serotonin"
] | [
4.4082,
4.2529,
5.0212,
6.2014
] | Zeolite Y2.55 (FAU) | 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 Zeolite Y2.55 (FAU) in aqueous solution at standard conditions?
A. Epinephrine hydrochloride (SMILES: ... | eupmc | base |
t2_Zeolite Y2.55 (FAU)_2 | task2 | D | Serotonin | [
"Noradrenaline hydrochloride",
"Epinephrine hydrochloride",
"Histamine",
"Serotonin"
] | [
4.5855,
4.4082,
4.2529,
6.2014
] | Zeolite Y2.55 (FAU) | 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 Zeolite Y2.55 (FAU) in aqueous solution at standard conditions?
A. Noradrenaline hydrochloride (SMILES... | eupmc | base |
t2_Zeolite Y2.55 (FAU)_3 | task2 | B | Serotonin | [
"Dopamine hydrochloride",
"Serotonin",
"Epinephrine hydrochloride",
"Noradrenaline hydrochloride"
] | [
5.0212,
6.2014,
4.4082,
4.5855
] | Zeolite Y2.55 (FAU) | 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 Zeolite Y2.55 (FAU) in aqueous solution at standard conditions?
A. Dopamine hydrochloride (SMILES: C1=... | eupmc | base |
t2_Zeolite Y2.55 (FAU)_4 | task2 | D | Dopamine hydrochloride | [
"Epinephrine hydrochloride",
"Histamine",
"Noradrenaline hydrochloride",
"Dopamine hydrochloride"
] | [
4.4082,
4.2529,
4.5855,
5.0212
] | Zeolite Y2.55 (FAU) | 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 Zeolite Y2.55 (FAU) in aqueous solution at standard conditions?
A. Epinephrine hydrochloride (SMILES: ... | eupmc | base |
t2_Zorb[4]arene_0 | task2 | B | N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium | [
"tetramethylphosphanium cation",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"trimethylsulfanium",
"tetraethylammonium hexafluorophosphate(V)"
] | [
2.7193,
5.3424,
2.5428,
2.7709
] | Zorb[4]arene | 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 Zorb[4]arene in aqueous solution at standard conditions?
A. tetramethylphosphanium cation (SMILES: C[P... | eupmc | base |
t2_Zorb[4]arene_1 | task2 | B | N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium | [
"N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-dimethylmethanaminium",
"N-(4-bromobenzyl)-1-(4-bromophenyl)-N,N-dimethylmethanaminium",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium"
] | [
4.9345,
5.5315,
5.3424,
5.0792
] | Zorb[4]arene | 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 Zorb[4]arene in aqueous solution at standard conditions?
A. N-(4-cyanobenzyl)-1-(4-cyanophenyl)-N,N-di... | eupmc | base |
t2_Zorb[4]arene_2 | task2 | B | N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium | [
"(cobaltocene)+",
"N-(4-fluorobenzyl)-1-(4-fluorophenyl)-N,N-dimethylmethanaminium",
"tetramethylphosphanium cation",
"N,N-dimethyl-N-(4-methylbenzyl)-1-(p-tolyl)methanaminium"
] | [
4.6335,
5.0792,
2.7193,
4.8062
] | Zorb[4]arene | 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 Zorb[4]arene in aqueous solution at standard conditions?
A. (cobaltocene)+.
B. N-(4-fluorobenzyl)-1-(4... | eupmc | base |
t2_Zorb[4]arene_3 | task2 | D | N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium | [
"tetraethylammonium hexafluorophosphate(V)",
"tetramethylammonium hexafluorophosphate(V)",
"N-(4-chlorobenzyl)-1-(4-chlorophenyl)-N,N-dimethylmethanaminium",
"N,N-dimethyl-N-(4-(methylthio)benzyl)-1-(4-(methylthio)phenyl)methanaminium"
] | [
2.7709,
3.6721,
5.3424,
5.3617
] | Zorb[4]arene | 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 Zorb[4]arene in aqueous solution at standard conditions?
A. tetraethylammonium hexafluorophosphate(V) ... | eupmc | base |
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