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_syn-Amide Naphthotube_13 | task2 | A | 2-Methyl-3-phenyloxirane | [
"2-Methyl-3-phenyloxirane",
"Cyclohexanone",
"Dimethyl carbonate",
"6-Oxabicyclo[3.1.0]hexane"
] | [
5.2196,
1.5441,
3.3547,
2.2945
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Methyl-3-phenyloxirane (SMILES:... | eupmc | base |
t2_syn-Amide Naphthotube_14 | task2 | A | Dimethyl carbonate | [
"Dimethyl carbonate",
"2-Propanol",
"1,2-Propylene oxide",
"Dimethyl sulfoxide"
] | [
3.3547,
0.9542,
2.6776,
1.4914
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl carbonate (SMILES: COC(=... | eupmc | base |
t2_syn-Amide Naphthotube_15 | task2 | A | 2-Phenyloxirane | [
"2-Phenyloxirane",
"1,2-Propylene oxide",
"1,3,5-trioxane",
"Diethyl ether"
] | [
4.6551,
2.6776,
1.6721,
2.4624
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Phenyloxirane (SMILES: C1C(O1)C... | eupmc | base |
t2_syn-Amide Naphthotube_16 | task2 | B | 2-methyl-1,3-dioxolane | [
"Tetrahydropyran",
"2-methyl-1,3-dioxolane",
"Ethanol",
"Oxetane"
] | [
1.8595,
4.3365,
0.9542,
2.4857
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Tetrahydropyran (SMILES: C1CCOCC1... | eupmc | base |
t2_syn-Amide Naphthotube_17 | task2 | B | 2-methyl-1,3-dioxolane | [
"1,4-Dioxane",
"2-methyl-1,3-dioxolane",
"Thiane",
"(2S,3S)-2,3-Dimethyloxirane"
] | [
4.0758,
4.3365,
1.8129,
2.4997
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-Dioxane (SMILES: C1COCCO1).
B... | eupmc | base |
t2_syn-Amide Naphthotube_18 | task2 | C | 1,4-dioxene | [
"Dimethyl sulfoxide",
"Acetone",
"1,4-dioxene",
"1,2-dichloroethane"
] | [
1.4914,
2,
3.2553,
1.8921
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl sulfoxide (SMILES: CS(=O... | eupmc | base |
t2_syn-Amide Naphthotube_19 | task2 | A | 2-methyl-1,3-dioxolane | [
"2-methyl-1,3-dioxolane",
"Nitromethane",
"1,2-dichloroethane",
"Acetone"
] | [
4.3365,
1.2304,
1.8921,
2
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-methyl-1,3-dioxolane (SMILES: C... | eupmc | base |
t2_syn-Amide Naphthotube_20 | task2 | A | 2-methyl-1,3-dioxolane | [
"2-methyl-1,3-dioxolane",
"Tetrahydrofuran",
"Diethyl ether",
"Dimethoxymethane"
] | [
4.3365,
2.0328,
2.4624,
3.8287
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-methyl-1,3-dioxolane (SMILES: C... | eupmc | base |
t2_syn-Amide Naphthotube_21 | task2 | A | 2-methyl-1,3-dioxolane | [
"2-methyl-1,3-dioxolane",
"Dimethoxymethane",
"Ethyl acetate",
"Oxepane"
] | [
4.3365,
3.8287,
3.5294,
2.5203
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-methyl-1,3-dioxolane (SMILES: C... | eupmc | base |
t2_syn-Amide Naphthotube_22 | task2 | D | Thiophene | [
"Acetone",
"Ethyl acetate",
"Nitromethane",
"Thiophene"
] | [
2,
3.5294,
1.2304,
3.6072
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Acetone (SMILES: CC(=O)C).
B. Eth... | eupmc | base |
t2_syn-Amide Naphthotube_23 | task2 | A | Dimethyl carbonate | [
"Dimethyl carbonate",
"Cyclohexanone",
"Furan",
"Oxazole"
] | [
3.3547,
1.5441,
2.6928,
2.1239
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Dimethyl carbonate (SMILES: COC(=... | eupmc | base |
t2_syn-Amide Naphthotube_24 | task2 | D | 2-methyl-1,3-dioxolane | [
"Ethyl acetate",
"Dimethoxymethane",
"2,2-Dimethoxypropane",
"2-methyl-1,3-dioxolane"
] | [
3.5294,
3.8287,
1.6902,
4.3365
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Ethyl acetate (SMILES: CCOC(=O)C)... | eupmc | base |
t2_syn-Amide Naphthotube_25 | task2 | B | 2-Methyl-3-phenyloxirane | [
"2-Propanol",
"2-Methyl-3-phenyloxirane",
"1,3-dioxolane",
"1H-1,2,4-triazole"
] | [
0.9542,
5.2196,
2.6544,
2.2148
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Propanol (SMILES: CC(C)O).
B. 2... | eupmc | base |
t2_syn-Amide Naphthotube_26 | task2 | A | Oxepane | [
"Oxepane",
"6-Oxabicyclo[3.1.0]hexane",
"1,3-dioxane",
"1,2-dichloroethane"
] | [
2.5203,
2.2945,
2.3263,
1.8921
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxepane (SMILES: C1CCCOCC1).
B. 6... | eupmc | base |
t2_syn-Amide Naphthotube_27 | task2 | B | N,N-dimethylformamide | [
"2,2-Dimethyloxirane",
"N,N-dimethylformamide",
"Cyclohexanone",
"Ethanol"
] | [
2.1903,
2.4928,
1.5441,
0.9542
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2,2-Dimethyloxirane.
B. N,N-dimet... | eupmc | base |
t2_syn-Amide Naphthotube_28 | task2 | A | Imidazole | [
"Imidazole",
"Diethyl ether",
"Cyclohexanone",
"Dimethyl sulfoxide"
] | [
2.5224,
2.4624,
1.5441,
1.4914
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Imidazole (SMILES: C1=CN=CN1).
B.... | eupmc | base |
t2_syn-Amide Naphthotube_29 | task2 | A | 2-(pent-4-en-1-yl)oxirane | [
"2-(pent-4-en-1-yl)oxirane",
"Cyclohexanone",
"1,2-dichloroethane",
"N,N-dimethylformamide"
] | [
4.4298,
1.5441,
1.8921,
2.4928
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-(pent-4-en-1-yl)oxirane (SMILES... | eupmc | base |
t2_syn-Amide Naphthotube_30 | task2 | C | 1,2-Propylene oxide | [
"1,3-dioxane",
"Tetrahydrofuran",
"1,2-Propylene oxide",
"1,3,5-trioxane"
] | [
2.3263,
2.0328,
2.6776,
1.6721
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,3-dioxane (SMILES: C1CCOCO1).
B... | eupmc | base |
t2_syn-Amide Naphthotube_31 | task2 | B | 2-methyl-1,3-dioxolane | [
"Acetone",
"2-methyl-1,3-dioxolane",
"1,3,5-trioxane",
"Thiane"
] | [
2,
4.3365,
1.6721,
1.8129
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Acetone (SMILES: CC(=O)C).
B. 2-m... | eupmc | base |
t2_syn-Amide Naphthotube_32 | task2 | D | Tetrahydrofuran | [
"N-ethylacetamide",
"Thiane",
"Acetonitrile",
"Tetrahydrofuran"
] | [
1.8129,
1.8129,
0.9031,
2.0328
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. N-ethylacetamide (SMILES: CCNC(=O... | eupmc | base |
t2_syn-Amide Naphthotube_33 | task2 | A | 2-Methyl-3-phenyloxirane | [
"2-Methyl-3-phenyloxirane",
"Pyrrole",
"2,2-Dimethyloxirane",
"Cyclohexanone"
] | [
5.2196,
3.1836,
2.1903,
1.5441
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Methyl-3-phenyloxirane (SMILES:... | eupmc | base |
t2_syn-Amide Naphthotube_34 | task2 | D | Ethyl acetate | [
"Nitromethane",
"N-ethylacetamide",
"Tetrahydrofuran",
"Ethyl acetate"
] | [
1.2304,
1.8129,
2.0328,
3.5294
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Nitromethane.
B. N-ethylacetamide... | eupmc | base |
t2_syn-Amide Naphthotube_35 | task2 | C | Dimethyl carbonate | [
"1,4-dioxene",
"Acetonitrile",
"Dimethyl carbonate",
"Dimethyl sulfoxide"
] | [
3.2553,
0.9031,
3.3547,
1.4914
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-dioxene (SMILES: C1COC=CO1).
... | eupmc | base |
t2_syn-Amide Naphthotube_36 | task2 | B | 2-methyl-1,3-dioxolane | [
"2-Propanol",
"2-methyl-1,3-dioxolane",
"1,2-Butylene oxide",
"1,3,5-trioxane"
] | [
0.9542,
4.3365,
2.7348,
1.6721
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Propanol (SMILES: CC(C)O).
B. 2... | eupmc | base |
t2_syn-Amide Naphthotube_37 | task2 | A | 2-Methyl-3-phenyloxirane | [
"2-Methyl-3-phenyloxirane",
"Dimethyl carbonate",
"Acetonitrile",
"1,4-Dioxane"
] | [
5.2196,
3.3547,
0.9031,
4.0758
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 2-Methyl-3-phenyloxirane (SMILES:... | eupmc | base |
t2_syn-Amide Naphthotube_38 | task2 | D | Pyrrole | [
"Oxetane",
"1,2-dichloroethane",
"Thiane",
"Pyrrole"
] | [
2.4857,
1.8921,
1.8129,
3.1836
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Oxetane (SMILES: C1COC1).
B. 1,2-... | eupmc | base |
t2_syn-Amide Naphthotube_39 | task2 | A | Diethyl ether | [
"Diethyl ether",
"2-Propanol",
"Ethanol",
"Thiane"
] | [
2.4624,
0.9542,
0.9542,
1.8129
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Diethyl ether (SMILES: CCOCC).
B.... | eupmc | base |
t2_syn-Amide Naphthotube_40 | task2 | B | Dimethoxymethane | [
"1,4-dioxene",
"Dimethoxymethane",
"Thiane",
"N,N-dimethylformamide"
] | [
3.2553,
3.8287,
1.8129,
2.4928
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 1,4-dioxene (SMILES: C1COC=CO1).
... | eupmc | base |
t2_syn-Amide Naphthotube_41 | task2 | D | 2-(pent-4-en-1-yl)oxirane | [
"7-Oxabicyclo[4.1.0]heptane",
"Acetone",
"1,2-Butylene oxide",
"2-(pent-4-en-1-yl)oxirane"
] | [
1.7993,
2,
2.7348,
4.4298
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. 7-Oxabicyclo[4.1.0]heptane (SMILE... | eupmc | base |
t2_syn-Amide Naphthotube_42 | task2 | C | Thiophene | [
"Acetone",
"Pyrrole",
"Thiophene",
"1,3-dioxane"
] | [
2,
3.1836,
3.6072,
2.3263
] | syn-Amide Naphthotube | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule syn-Amide Naphthotube in aqueous solution at standard conditions?
A. Acetone (SMILES: CC(=O)C).
B. Pyr... | eupmc | base |
t2_tetra-endo-ethyl octa acid_0 | task2 | D | 4-Bromophenol | [
"1,3-benzodioxole-5-carboxylic acid",
"4-Methylbenzoic acid",
"3-hydroxynaphthalene-2-carboxylic acid",
"4-Bromophenol"
] | [
3.2742,
2.4352,
3.2951,
3.7747
] | tetra-endo-ethyl octa 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 tetra-endo-ethyl octa acid in aqueous solution at standard conditions?
A. 1,3-benzodioxole-5-carboxyli... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_0 | task2 | D | 4-Methylbenzoic acid | [
"4-Methylpentanoic acid",
"Sodium trifluoromethanesulfonate",
"4-Cyanobenzoic acid",
"4-Methylbenzoic acid"
] | [
3.96,
3.1474,
3.7727,
4.8893
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 4-Methylpentanoic ... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_1 | task2 | D | 3-hydroxynaphthalene-2-carboxylic acid | [
"Trans-2-hexenoic acid",
"5-Hexenoic acid",
"3-Nitrobenzoic acid",
"3-hydroxynaphthalene-2-carboxylic acid"
] | [
4.3802,
4.1072,
3.2856,
5.1004
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Trans-2-hexenoic a... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_2 | task2 | C | Cyclopentylacetic acid | [
"4-Bromoadamantane-1-carboxylic acid",
"4-Cyanobenzoic acid",
"Cyclopentylacetic acid",
"Sodium perrhenate"
] | [
1.3703,
3.7727,
4.3446,
3.402
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 4-Bromoadamantane-... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_3 | task2 | A | Cyclopentylacetic acid | [
"Cyclopentylacetic acid",
"4-Methylpentanoic acid",
"Sodium dicyanamide",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride"
] | [
4.3446,
3.96,
0.9542,
2.8627
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Cyclopentylacetic ... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_4 | task2 | D | 3-hydroxynaphthalene-2-carboxylic acid | [
"Cyclopentylacetic acid",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"5-hexynoic acid",
"3-hydroxynaphthalene-2-carboxylic acid"
] | [
4.3446,
2.8627,
3.925,
5.1004
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Cyclopentylacetic ... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_5 | task2 | A | (s)-(-)-citronellic acid | [
"(s)-(-)-citronellic acid",
"Trans-2-hexenoic acid",
"Sodium perchlorate",
"5-Hexenoic acid"
] | [
5.7093,
4.3802,
1.8588,
4.1072
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. (s)-(-)-citronelli... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_6 | task2 | A | (s)-(-)-perillic acid | [
"(s)-(-)-perillic acid",
"4-Methylpentanoic acid",
"Sodium methanesulfonothioate",
"4-Bromoadamantane-1-carboxylic acid"
] | [
4.9921,
3.96,
1.9331,
1.3703
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. (s)-(-)-perillic a... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_7 | task2 | C | 1,3-benzodioxole-5-carboxylic acid | [
"2,2-dimethyl-4-pentenoic acid",
"2-methyl-4-pentenoic acid",
"1,3-benzodioxole-5-carboxylic acid",
"3-hydroxynaphthalene-2-carboxylic acid"
] | [
3.0294,
3.0531,
5.6532,
5.1004
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 2,2-dimethyl-4-pen... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_8 | task2 | A | 1,3-benzodioxole-5-carboxylic acid | [
"1,3-benzodioxole-5-carboxylic acid",
"(s)-(-)-perillic acid",
"Sodium hexafluorophosphate",
"Sodium perchlorate"
] | [
5.6532,
4.9921,
4.1819,
1.8588
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 1,3-benzodioxole-5... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_9 | task2 | C | 1,3-benzodioxole-5-carboxylic acid | [
"Sodium trifluoromethanesulfonate",
"Trans-2-hexenoic acid",
"1,3-benzodioxole-5-carboxylic acid",
"Sodium dicyanamide"
] | [
3.1474,
4.3802,
5.6532,
0.9542
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium trifluorome... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_10 | task2 | C | (s)-(-)-citronellic acid | [
"2-methyl-4-pentenoic acid",
"4-Methylbenzoic acid",
"(s)-(-)-citronellic acid",
"1-Hexanaminium, N,N,N-trimethyl-chloride"
] | [
3.0531,
4.8893,
5.7093,
4.2839
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 2-methyl-4-penteno... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_11 | task2 | A | (s)-(-)-citronellic acid | [
"(s)-(-)-citronellic acid",
"Trans-2-hexenoic acid",
"Sodium perchlorate",
"Sodium dicyanamide"
] | [
5.7093,
4.3802,
1.8588,
0.9542
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. (s)-(-)-citronelli... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_12 | task2 | B | 4-Methylbenzoic acid | [
"Sodium cyanoborohydride",
"4-Methylbenzoic acid",
"5-hexynoic acid",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride"
] | [
2.0149,
4.8893,
3.925,
2.8627
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium cyanoborohy... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_13 | task2 | D | 3-hydroxynaphthalene-2-carboxylic acid | [
"3-Nitrobenzoic acid",
"Sodium perrhenate",
"4-Methylpentanoic acid",
"3-hydroxynaphthalene-2-carboxylic acid"
] | [
3.2856,
3.402,
3.96,
5.1004
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 3-Nitrobenzoic aci... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_14 | task2 | D | (s)-(-)-citronellic acid | [
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"1-Hexanaminium, N,N,N-trimethyl-chloride",
"1,3-benzodioxole-5-carboxylic acid",
"(s)-(-)-citronellic acid"
] | [
2.8627,
4.2839,
5.6532,
5.7093
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. N,N,N-Trimethyl-2-... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_15 | task2 | D | 1,3-benzodioxole-5-carboxylic acid | [
"Trans-2-hexenoic acid",
"5-Hexenoic acid",
"Sodium trifluoromethanesulfonate",
"1,3-benzodioxole-5-carboxylic acid"
] | [
4.3802,
4.1072,
3.1474,
5.6532
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Trans-2-hexenoic a... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_16 | task2 | C | 3-hydroxynaphthalene-2-carboxylic acid | [
"5-Hexenoic acid",
"Sodium perrhenate",
"3-hydroxynaphthalene-2-carboxylic acid",
"Sodium hexafluorophosphate"
] | [
4.1072,
3.402,
5.1004,
4.1819
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 5-Hexenoic acid.
B... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_17 | task2 | D | 4-Cyanobenzoic acid | [
"Sodium trifluoromethanesulfonate",
"2-methyl-4-pentenoic acid",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"4-Cyanobenzoic acid"
] | [
3.1474,
3.0531,
2.8627,
3.7727
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium trifluorome... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_18 | task2 | C | (s)-(-)-citronellic acid | [
"Sodium thiocyanate",
"Sodium methanesulfonothioate",
"(s)-(-)-citronellic acid",
"Trans-2-hexenoic acid"
] | [
1.1461,
1.9331,
5.7093,
4.3802
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium thiocyanate... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_19 | task2 | B | 4-Bromophenol | [
"Sodium dicyanamide",
"4-Bromophenol",
"N,N,N-Trimethyl-2-phenylethan-1-aminium chloride",
"Sodium perchlorate"
] | [
0.9542,
6.1732,
2.8627,
1.8588
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium dicyanamide... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_20 | task2 | B | Cyclopentylacetic acid | [
"Sodium trifluoromethanesulfonate",
"Cyclopentylacetic acid",
"5-hexynoic acid",
"Sodium dicyanamide"
] | [
3.1474,
4.3446,
3.925,
0.9542
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium trifluorome... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_21 | task2 | C | 4-Bromophenol | [
"2,2-dimethyl-4-pentenoic acid",
"Sodium perchlorate",
"4-Bromophenol",
"Trans-2-hexenoic acid"
] | [
3.0294,
1.8588,
6.1732,
4.3802
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 2,2-dimethyl-4-pen... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_22 | task2 | B | 3-hydroxynaphthalene-2-carboxylic acid | [
"4-Cyanobenzoic acid",
"3-hydroxynaphthalene-2-carboxylic acid",
"Sodium trifluoromethanesulfonate",
"4-Methylpentanoic acid"
] | [
3.7727,
5.1004,
3.1474,
3.96
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 4-Cyanobenzoic aci... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_23 | task2 | D | 4-Methylbenzoic acid | [
"5-Hexenoic acid",
"3-Nitrobenzoic acid",
"2,2-dimethyl-4-pentenoic acid",
"4-Methylbenzoic acid"
] | [
4.1072,
3.2856,
3.0294,
4.8893
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. 5-Hexenoic acid.
B... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_24 | task2 | B | 3-hydroxynaphthalene-2-carboxylic acid | [
"(s)-(-)-perillic acid",
"3-hydroxynaphthalene-2-carboxylic acid",
"5-hexynoic acid",
"Sodium thiocyanate"
] | [
4.9921,
5.1004,
3.925,
1.1461
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. (s)-(-)-perillic a... | eupmc | base |
t2_tetra-endo-methyl octa acid cavitand_25 | task2 | B | (s)-(-)-perillic acid | [
"Sodium trifluoromethanesulfonate",
"(s)-(-)-perillic acid",
"Sodium cyanoborohydride",
"Sodium perrhenate"
] | [
3.1474,
4.9921,
2.0149,
3.402
] | tetra-endo-methyl octa acid cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetra-endo-methyl octa acid cavitand in aqueous solution at standard conditions?
A. Sodium trifluorome... | eupmc | base |
t2_tetracyanoresorcin[4]arene_0 | task2 | C | 4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine | [
"N6-Dimethyllysine",
"N6-Trimethyllysine",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine",
"N6-Methyllysine"
] | [
4.1761,
4.6721,
6.6294,
3.3222
] | tetracyanoresorcin[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 tetracyanoresorcin[4]arene in aqueous solution at standard conditions?
A. N6-Dimethyllysine (SMILES: C... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_0 | task2 | C | Cesium chloride, Caesium chloride | [
"Sodium fluoride",
"bromo(chloro)methane",
"Cesium chloride, Caesium chloride",
"1-bromopropane"
] | [
2.017,
1.1761,
2.4624,
1.4914
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium fl... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_1 | task2 | A | Cesium chloride, Caesium chloride | [
"Cesium chloride, Caesium chloride",
"iodomethane",
"dibromomethane",
"bromo(chloro)methane"
] | [
2.4624,
1.3979,
1.6532,
1.1761
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Cesium ch... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_2 | task2 | D | Sodium iodide | [
"trichloro(deuterio)methane",
"Sodium chloride",
"Cesium chloride, Caesium chloride",
"Sodium iodide"
] | [
1.301,
2.0422,
2.4624,
3.8127
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. trichloro... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_3 | task2 | A | Sodium chloride | [
"Sodium chloride",
"dibromomethane",
"Sodium fluoride",
"1-bromopropane"
] | [
2.0422,
1.6532,
2.017,
1.4914
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium ch... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_4 | task2 | A | Sodium chloride | [
"Sodium chloride",
"bromo(chloro)methane",
"Sodium fluoride",
"trichloro(deuterio)methane"
] | [
2.0422,
1.1761,
2.017,
1.301
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium ch... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_5 | task2 | A | Sodium iodide | [
"Sodium iodide",
"Sodium fluoride",
"Sodium bromide",
"Cesium chloride, Caesium chloride"
] | [
3.8127,
2.017,
3.0247,
2.4624
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium io... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_6 | task2 | D | Sodium iodide | [
"iodomethane",
"dibromomethane",
"Cesium chloride, Caesium chloride",
"Sodium iodide"
] | [
1.3979,
1.6532,
2.4624,
3.8127
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. iodometha... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_7 | task2 | A | Sodium bromide | [
"Sodium bromide",
"Sodium chloride",
"bromo(chloro)methane",
"Sodium fluoride"
] | [
3.0247,
2.0422,
1.1761,
2.017
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium br... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_8 | task2 | A | Sodium iodide | [
"Sodium iodide",
"trichloro(deuterio)methane",
"bromo(chloro)methane",
"Sodium chloride"
] | [
3.8127,
1.301,
1.1761,
2.0422
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. Sodium io... | eupmc | base |
t2_tetrakis(trimethylammonium) chloride cavitand_9 | task2 | B | Sodium chloride | [
"trichloro(deuterio)methane",
"Sodium chloride",
"dibromomethane",
"Sodium fluoride"
] | [
1.301,
2.0422,
1.6532,
2.017
] | tetrakis(trimethylammonium) chloride cavitand | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule tetrakis(trimethylammonium) chloride cavitand in aqueous solution at standard conditions?
A. trichloro... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_0 | task2 | A | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"tropylium cation",
"Phenyltrimethylammonium Chloride",
"Diquat"
] | [
7.8451,
5.0414,
3.0396,
7.3979
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. 5,6-dihy... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_1 | task2 | B | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"Tetramethylammonium chloride",
"1,3-Dimethylimidazolium"
] | [
3,
7.8451,
2.7243,
4.3617
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. 2,3-Diaz... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_2 | task2 | A | methyl viologen diiodide | [
"methyl viologen diiodide",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"1,3-Dimethylimidazolium"
] | [
5.9912,
3,
4.3424,
4.3617
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. methyl v... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_3 | task2 | C | Diquat | [
"methyl viologen diiodide",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Diquat",
"Phenyltrimethylammonium Chloride"
] | [
5.9912,
4.3424,
7.3979,
3.0396
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. methyl v... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_4 | task2 | A | Diquat | [
"Diquat",
"Phenyltrimethylammonium Chloride",
"N-methyl pyridinium",
"1,3-Dimethylimidazolium"
] | [
7.3979,
3.0396,
4.9729,
4.3617
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. Diquat (... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_5 | task2 | C | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"6,7-diazabicyclo(3.2.2)non-6-ene",
"Tetramethylammonium chloride",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Ammonium ion"
] | [
3.1761,
2.7243,
4.3424,
2.6435
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. 6,7-diaz... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_6 | task2 | A | 1,3-Dimethylimidazolium | [
"1,3-Dimethylimidazolium",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Guanidinium Chloride"
] | [
4.3617,
2.9395,
4.3424,
2.7324
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. 1,3-Dime... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_7 | task2 | C | Diquat | [
"Tetramethylammonium chloride",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Diquat",
"Guanidinium Chloride"
] | [
2.7243,
3,
7.3979,
2.7324
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. Tetramet... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_8 | task2 | B | methyl viologen diiodide | [
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"methyl viologen diiodide",
"N-methyl pyridinium",
"Tetramethylammonium chloride"
] | [
2.9395,
5.9912,
4.9729,
2.7243
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. 2,3-Diaz... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_9 | task2 | C | Diquat | [
"Ammonium ion",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Diquat",
"N-methyl pyridinium"
] | [
2.6435,
4.3424,
7.3979,
4.9729
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. Ammonium... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_10 | task2 | B | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"methyl viologen diiodide",
"2,3-Diazabicyclo(2.2.2)oct-2-ene"
] | [
4.3424,
7.8451,
5.9912,
3
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. N,N'-dim... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_11 | task2 | C | N-methyl pyridinium | [
"Guanidinium Chloride",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"N-methyl pyridinium",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene"
] | [
2.7324,
3,
4.9729,
2.9395
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. Guanidin... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_12 | task2 | A | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Phenyltrimethylammonium Chloride",
"Tetramethylammonium chloride",
"Guanidinium Chloride"
] | [
4.3424,
3.0396,
2.7243,
2.7324
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. N,N'-dim... | eupmc | base |
t2_tetrasulfonato-tetrakis(n-butyl)-calix[4]arene_13 | task2 | D | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"Phenyltrimethylammonium Chloride",
"tropylium cation",
"6,7-diazabicyclo(3.2.2)non-6-ene",
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium"
] | [
3.0396,
5.0414,
3.1761,
7.8451
] | tetrasulfonato-tetrakis(n-butyl)-calix[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 tetrasulfonato-tetrakis(n-butyl)-calix[4]arene in aqueous solution at standard conditions?
A. Phenyltr... | eupmc | base |
t2_α-Cyclodextrin_0 | task2 | B | octan-2-aminium | [
"Sodium perchlorate",
"octan-2-aminium",
"Berberine chloride",
"6-heptenoate"
] | [
1.1324,
3.0531,
1.7782,
2.6365
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_1 | task2 | D | 6-aminohexanoic acid | [
"1-adamantane carboxylate",
"2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate",
"Cyclooctanol",
"6-aminohexanoic acid"
] | [
-3.5436,
2.4472,
2.3651,
3.1801
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_2 | task2 | C | 8-aminooctanoic acid | [
"Cinchocaine hydrochloride",
"Valethamate bromide",
"8-aminooctanoic acid",
"1-Methylhexylammonium"
] | [
2.8014,
1.8998,
2.99,
2.6425
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_3 | task2 | D | Cinchocaine hydrochloride | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Hexanoate",
"Sodium perchlorate",
"Cinchocaine hydrochloride"
] | [
1.301,
2.4771,
1.1324,
2.8014
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_4 | task2 | B | 6-aminohexanoic acid | [
"Cyclobutanol",
"6-aminohexanoic acid",
"Sodium hexafluorophosphate",
"8-(phenylamino)naphthalene-1-sulfonic acid"
] | [
1.4814,
3.1801,
1.358,
1.301
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_5 | task2 | C | (-)-camphor | [
"Cycloheptanol",
"4-(diethylamino)benzonitrile",
"(-)-camphor",
"1-Heptylamine (fully protonated)"
] | [
1.8325,
2.4914,
5.611,
3.0334
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_6 | task2 | C | 1-Octylammonium | [
"Heptanoate",
"Berberine chloride",
"1-Octylammonium",
"Hexylamine (protonated form)"
] | [
2.9258,
1.7782,
3.3758,
2.5899
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_7 | task2 | D | Heptanoate | [
"L-Phenylalanine",
"Pentanoate",
"Sodium hexafluorophosphate",
"Heptanoate"
] | [
2.4099,
1.9025,
1.358,
2.9258
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_8 | task2 | A | 1-Octylammonium | [
"1-Octylammonium",
"Tetracaine hydrochloride",
"(R)-[1,1′-binaphthalene]-2,2′-diols",
"Pentanoate"
] | [
3.3758,
2.4014,
2.0141,
1.9025
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_9 | task2 | B | (-)-camphor | [
"6-heptenoate",
"(-)-camphor",
"Butylamine (protonated form)",
"octan-2-aminium"
] | [
2.6365,
5.611,
1.1553,
3.0531
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_10 | task2 | B | 11-aminoundecanoic acid | [
"Butanoate",
"11-aminoundecanoic acid",
"Sodium perchlorate",
"Procaine hydrochloride"
] | [
1.0969,
3.1599,
1.1324,
1.5933
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_11 | task2 | A | (-)-camphor | [
"(-)-camphor",
"Sodium thiocyanate",
"Valethamate bromide",
"Sodium trifluoromethanesulfonate"
] | [
5.611,
1.1901,
1.8998,
0.7782
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_12 | task2 | D | L-Valine | [
"Berberine chloride",
"Hexylamine (protonated form)",
"4-(diethylamino)benzonitrile",
"L-Valine"
] | [
1.7782,
2.5899,
2.4914,
3.2101
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_13 | task2 | D | Octanoate | [
"Glycyl-l-leucine",
"Procaine hydrochloride",
"(R)-[1,1′-binaphthalene]-2,2′-diols",
"Octanoate"
] | [
2.42,
1.5933,
2.0141,
3.389
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_14 | task2 | B | L-Phenylalanine | [
"Cyclobutanol",
"L-Phenylalanine",
"Pentylamine (protonated form)",
"Sodium thiocyanate"
] | [
1.4814,
2.4099,
1.9943,
1.1901
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_15 | task2 | B | Heptanoate | [
"trans-3-hexenoate",
"Heptanoate",
"3-Ethoxypropylamine",
"4-(diethylamino)benzonitrile"
] | [
2.2068,
2.9258,
0.9031,
2.4914
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_16 | task2 | B | Chlorpromazine hydrochloride | [
"8-(phenylamino)naphthalene-1-sulfonic acid",
"Chlorpromazine hydrochloride",
"Sodium trifluoromethanesulfonate",
"Valethamate bromide"
] | [
1.301,
2.1111,
0.7782,
1.8998
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
t2_α-Cyclodextrin_17 | task2 | D | 1-Octylammonium | [
"Hexanoate",
"2-methylpropanoate",
"1-adamantane carboxylate",
"1-Octylammonium"
] | [
2.4771,
0.8451,
-3.5436,
3.3758
] | α-Cyclodextrin | v2 | You are an expert in supramolecular chemistry.
Your task is to answer the following question.
Question: Which of the following guest molecules has the strongest binding affinity (highest logKa) with the host molecule α-Cyclodextrin (SMILES: OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H... | eupmc | base |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.