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_p-Sulfonatocalix[4]arene_2 | task2 | C | Baicalin | [
"1,5-pentanediol",
"asymmetric N,N-dimethylarginine",
"Baicalin",
"H-TARKSTGY-NH2"
] | [
1.4301,
3.0777,
4.214,
3.9956
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_3 | task2 | B | H-ARTK(me3)QTAY-NH2 | [
"Hexylamine (protonated form)",
"H-ARTK(me3)QTAY-NH2",
"Copper chloride",
"L-leucyl-l-alanine"
] | [
3.6,
5.301,
3.752,
3.23
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_4 | task2 | D | norfloxacin | [
"Glycylglycine",
"Gadolinium(III) chloride",
"D/L-Proline",
"norfloxacin"
] | [
2.99,
3.94,
3.1045,
4.0755
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_5 | task2 | C | H-GGVK(me3)KPHY-NH2 | [
"asymmetric N,N-dimethylarginine",
"Cesium chloride, Caesium chloride",
"H-GGVK(me3)KPHY-NH2",
"Lanthanum cation"
] | [
3.0777,
2.8816,
5.0414,
2.605
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_6 | task2 | A | Acetylthiocholine | [
"Acetylthiocholine",
"2,4-diaminobutanoate (protonated form)",
"propylamine (protonated form)",
"Sodium cation"
] | [
4.6998,
1.95,
4.1206,
2.3455
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_7 | task2 | D | Diquat | [
"Diisopropyl methylphosphonate",
"norfloxacin",
"L-carnitine",
"Diquat"
] | [
1.5536,
4.0755,
4.4472,
7.6335
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_8 | task2 | B | [Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium | [
"Lanthanum chloride heptahydrate",
"[Amino-[4-[6-[amino(azaniumylidene)methyl]-1H-indol-2-yl]phenyl]methylidene]azanium",
"Berberine chloride",
"1,4-Diazepane"
] | [
4.2304,
4.4472,
3.6067,
4.0016
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_9 | task2 | B | propylamine (protonated form) | [
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"propylamine (protonated form)",
"Ac-AARKSAPY-NH2",
"ethylguanidinium"
] | [
2.6812,
4.1206,
3.6575,
3.26
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_10 | task2 | B | 2,4,6-triphenylpyrylium tetrafluoroborate | [
"Baicalin",
"2,4,6-triphenylpyrylium tetrafluoroborate",
"asymmetric N,N-dimethylarginine",
"Magnesium chloride"
] | [
4.214,
4.3282,
3.0777,
3.4399
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_11 | task2 | A | H-ARTK(me3)QTAY-NH2 | [
"H-ARTK(me3)QTAY-NH2",
"2,6-diaminohexanoate (protonated form)",
"Methylene Blue",
"Benzyltrimethylammonium chloride"
] | [
5.301,
2.87,
5.1492,
4.0396
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_12 | task2 | C | Diquat | [
"Neodymium trichloride",
"Ethylammonium",
"Diquat",
"L-Alanine"
] | [
4.0792,
3.58,
7.6335,
3.22
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_13 | task2 | A | Coralyne chloride | [
"Coralyne chloride",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide",
"trans-Merocyanine",
"arginyllysine"
] | [
7.2553,
6.2553,
3.5441,
3.6335
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_14 | task2 | B | trans-Merocyanine | [
"Cesium chloride, Caesium chloride",
"trans-Merocyanine",
"L-Tryptophan",
"2,6-diaminohexanoate (protonated form)"
] | [
2.8816,
3.5441,
3.13,
2.87
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_15 | task2 | A | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Safranine T",
"Lysyllysyllysine",
"Tetrapropylammonium chloride"
] | [
7.1761,
4.2894,
4.4771,
4.4848
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_16 | task2 | A | Phenyltrimethylammonium | [
"Phenyltrimethylammonium",
"1,5-diazacyclooctane",
"H-ARTKQTAY-NH2",
"Triglycine"
] | [
4.5999,
4.0806,
4.3424,
3.11
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_17 | task2 | D | Ac-AARKme3SAPY-NH2 | [
"D/L-histidine",
"Tetrabutylammonium iodide",
"1,4-Diazepane",
"Ac-AARKme3SAPY-NH2"
] | [
2.7007,
4.1048,
4.0016,
5.2672
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_18 | task2 | C | Pentylamine (protonated form) | [
"Piperazine",
"Soman",
"Pentylamine (protonated form)",
"5-aminopentanoate"
] | [
2.9829,
1.8751,
3.81,
2.26
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_19 | task2 | B | Lanthanum chloride heptahydrate | [
"Pentylamine (protonated form)",
"Lanthanum chloride heptahydrate",
"Diisopropyl methylphosphonate",
"5-aminopentanoate"
] | [
3.81,
4.2304,
1.5536,
2.26
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_20 | task2 | C | trans-Ferulic acid | [
"2,4-diaminobutanoate (protonated form)",
"D/L-phenylalanine",
"trans-Ferulic acid",
"D/L-Tryptophan"
] | [
1.95,
2.9133,
4.2119,
2.42
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_21 | task2 | B | Tetraethylammonium iodide | [
"D/L-Serine",
"Tetraethylammonium iodide",
"N6-Methyllysine",
"Butyl Rhodamine B"
] | [
2.0792,
4.9801,
3.3987,
3.3483
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_22 | task2 | A | H-GGVK(me3)KPHY-NH2 | [
"H-GGVK(me3)KPHY-NH2",
"glycyl-L-phenylalanine",
"Methylguanidinium",
"Berberine chloride"
] | [
5.0414,
3.23,
3.04,
3.6067
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_23 | task2 | A | butylamine (protonated form) | [
"butylamine (protonated form)",
"Piperazine",
"1,4-butanediol",
"glycyl-L-phenylalanine"
] | [
4.0086,
2.9829,
1.2799,
3.23
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_24 | task2 | C | Ac-AARKme3SAPY-NH2 | [
"Rhodamine B",
"L-Arginine",
"Ac-AARKme3SAPY-NH2",
"L-Phenylalanine"
] | [
3.0218,
3.2698,
5.2672,
3.14
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_25 | task2 | C | H-ARTK(me3)QTAY-NH2 | [
"D/L-phenylalanine",
"Lanthanum(III) nitrate hexahydrate",
"H-ARTK(me3)QTAY-NH2",
"Potassium cation"
] | [
2.9133,
4.2304,
5.301,
2.329
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_26 | task2 | B | butylamine (protonated form) | [
"Pentylamine (protonated form)",
"butylamine (protonated form)",
"Ac-AARKSAPY-NH2",
"D/L-Aspartic acid"
] | [
3.81,
4.0086,
3.6575,
2.7093
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_27 | task2 | C | ethylguanidinium | [
"L-Leucylglycine",
"glycyl-L-phenylalanine",
"ethylguanidinium",
"2,4-diaminobutanoate (protonated form)"
] | [
3.23,
3.23,
3.26,
1.95
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_28 | task2 | B | L-Leucine | [
"6,7-diazabicyclo(3.2.2)non-6-ene",
"L-Leucine",
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"D/L-Serine"
] | [
2.9345,
3.08,
2.6812,
2.0792
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_29 | task2 | D | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"Guanidinium",
"Glycyl-l-valine",
"Ac-AARKSAPY-NH2",
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium"
] | [
2.4,
3.24,
3.6575,
7.2788
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_30 | task2 | C | H-ARTKQTAY-NH2 | [
"Rhodamine B",
"Benzyltrimethylammonium chloride",
"H-ARTKQTAY-NH2",
"D/L-Tryptophan"
] | [
3.0218,
4.0396,
4.3424,
2.42
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_31 | task2 | A | 1,5-diazacyclooctane | [
"1,5-diazacyclooctane",
"Ac-AARKSAPY-NH2",
"Lanthanum cation",
"Europium(III) chloride"
] | [
4.0806,
3.6575,
2.605,
3.83
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_32 | task2 | A | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"norfloxacin",
"Symmetric-N,N-dimethylarginine",
"Sodium cation"
] | [
7.2788,
4.0755,
3.0414,
2.3455
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_33 | task2 | A | 1,4-diaminobutane (protonated form) | [
"1,4-diaminobutane (protonated form)",
"Ethanol",
"D/L-Leucine",
"N6-Dimethyllysine"
] | [
4.0212,
1.0398,
2.8932,
3.9074
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_34 | task2 | D | Ac-RKme3ST-NH2 | [
"Lanthanum cation",
"Symmetric-N,N-dimethylarginine",
"2-nitrobenzylmethylethercholine",
"Ac-RKme3ST-NH2"
] | [
2.605,
3.0414,
4.1761,
4.9925
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_35 | task2 | D | 2,4,6-triphenylpyrylium tetrafluoroborate | [
"Methylarginine",
"Butyl Rhodamine B",
"ethylguanidinium",
"2,4,6-triphenylpyrylium tetrafluoroborate"
] | [
2.8808,
3.3483,
3.26,
4.3282
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_36 | task2 | B | protonated trans-Merocyanine | [
"Nickel chloride",
"protonated trans-Merocyanine",
"1,5-diazacyclooctane",
"propylamine (protonated form)"
] | [
3.7451,
4.3979,
4.0806,
4.1206
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_37 | task2 | D | 1,4-Diazepane | [
"1-Pentanol",
"Glycyl-l-alanine",
"Methylguanidinium",
"1,4-Diazepane"
] | [
1.63,
3.21,
3.04,
4.0016
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_38 | task2 | A | Acetylthiocholine | [
"Acetylthiocholine",
"arginyllysine",
"Leucyl-glycyl-glycine",
"Baicalin"
] | [
4.6998,
3.6335,
3.12,
4.214
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_39 | task2 | A | Neodymium trichloride | [
"Neodymium trichloride",
"Cesium chloride, Caesium chloride",
"Camphor",
"norfloxacin"
] | [
4.0792,
2.8816,
2.8129,
4.0755
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_40 | task2 | D | Lanthanum(III) nitrate hexahydrate | [
"N6-Dimethyllysine",
"1,5-diazacyclooctane",
"2,3-diazabicyclo[3.2.2]non-2-ene",
"Lanthanum(III) nitrate hexahydrate"
] | [
3.9074,
4.0806,
2.9777,
4.2304
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_41 | task2 | A | Lysyllysyllysine | [
"Lysyllysyllysine",
"Ethylammonium",
"D/L-Proline",
"Samarium(III) chloride"
] | [
4.4771,
3.58,
3.1045,
3.82
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_42 | task2 | C | methyl viologen diiodide | [
"Guanidinium",
"D/L-Tryptophan",
"methyl viologen diiodide",
"H-ARTKQTAY-NH2"
] | [
2.4,
2.42,
5.9666,
4.3424
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_43 | task2 | A | Safranine T | [
"Safranine T",
"Methylarginine",
"Lanthanum chloride heptahydrate",
"Guanidinium"
] | [
4.2894,
2.8808,
4.2304,
2.4
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_44 | task2 | A | p-Nitrobenzyltrimethylammonium | [
"p-Nitrobenzyltrimethylammonium",
"Ethylammonium",
"Leucyl-glycyl-glycine",
"L-Leucylglycine"
] | [
4.1987,
3.58,
3.12,
3.23
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_45 | task2 | A | Coralyne chloride | [
"Coralyne chloride",
"Samarium(III) chloride",
"D/L-Serine",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene"
] | [
7.2553,
3.82,
2.0792,
2.8292
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_46 | task2 | A | Tetramethylammonium | [
"Tetramethylammonium",
"N6-Trimethyllysine",
"Norfloxacin",
"Berberine chloride"
] | [
4.6498,
4.3615,
4.2763,
3.6067
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_47 | task2 | C | Ytterbium(III) chloride | [
"glycyl-L-phenylalanine",
"Glycylglycine",
"Ytterbium(III) chloride",
"1-Butanol"
] | [
3.23,
2.99,
3.81,
1.58
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_48 | task2 | B | methyl viologen diiodide | [
"Diisopropyl methylphosphonate",
"methyl viologen diiodide",
"Guanidinium",
"Tetrabutylammonium iodide"
] | [
1.5536,
5.9666,
2.4,
4.1048
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_49 | task2 | A | Diquat | [
"Diquat",
"Nickel chloride",
"Dysprosium(III) chloride",
"Camphor"
] | [
7.6335,
3.7451,
3.88,
2.8129
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_50 | task2 | D | 2-nitrobenzylmethylethercholine | [
"L-Phenylalanine",
"1,4-butanediol",
"Neodymium trichloride",
"2-nitrobenzylmethylethercholine"
] | [
3.14,
1.2799,
4.0792,
4.1761
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_51 | task2 | D | Choline | [
"D/L-Serine",
"D/L-Tryptophan",
"Tetrapropylammonium chloride",
"Choline"
] | [
2.0792,
2.42,
4.4848,
4.873
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_52 | task2 | B | Lysyllysyllysine | [
"L-Valine",
"Lysyllysyllysine",
"arginyllysine",
"2,6-diaminohexanoate (protonated form)"
] | [
3.2,
4.4771,
3.6335,
2.87
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_53 | task2 | B | Choline | [
"L-Leucylglycine",
"Choline",
"propylamine (protonated form)",
"Arginyl-arginyl-arginine"
] | [
3.23,
4.873,
4.1206,
4.5441
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_54 | task2 | C | Tetrapropylammonium chloride | [
"Glycyl-l-leucine",
"norfloxacin",
"Tetrapropylammonium chloride",
"Pentylamine (protonated form)"
] | [
3.22,
4.0755,
4.4848,
3.81
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_55 | task2 | D | Pentylamine (protonated form) | [
"Guanidinium",
"D/L-Proline",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Pentylamine (protonated form)"
] | [
2.4,
3.1045,
2.9714,
3.81
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_56 | task2 | B | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Acetylthiocholine",
"1,4-diaminobutane (protonated form)"
] | [
2.6812,
7.1761,
4.6998,
4.0212
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_57 | task2 | C | N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane | [
"L-leucyl-l-alanine",
"L-Phenylalanine",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Arginyl-arginyl-arginine"
] | [
3.23,
3.14,
7.1761,
4.5441
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_58 | task2 | A | 2-nitrobenzylmethylethercholine | [
"2-nitrobenzylmethylethercholine",
"1,5-pentanediol",
"norfloxacin",
"1,4-diaminobutane (protonated form)"
] | [
4.1761,
1.4301,
4.0755,
4.0212
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_59 | task2 | A | Tetrapropylammonium chloride | [
"Tetrapropylammonium chloride",
"Arginylarginine",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"D/L-phenylalanine"
] | [
4.4848,
3.8865,
2.8292,
2.9133
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_60 | task2 | C | H-GGVKKPHY-NH2 | [
"Lanthanum cation",
"Hexylamine (protonated form)",
"H-GGVKKPHY-NH2",
"Diisopropyl methylphosphonate"
] | [
2.605,
3.6,
3.8927,
1.5536
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_61 | task2 | A | H-TARK(me3)STGY-NH2 | [
"H-TARK(me3)STGY-NH2",
"Rubidium chloride",
"6,7-diazabicyclo(3.2.2)non-6-ene",
"N6-Methyllysine"
] | [
5.1461,
2.4031,
2.9345,
3.3987
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_62 | task2 | D | Neodymium trichloride | [
"Silver chloride",
"asymmetric N,N-dimethylarginine",
"Methylarginine",
"Neodymium trichloride"
] | [
2.433,
3.0777,
2.8808,
4.0792
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_63 | task2 | B | Ac-RKme3ST-NH2 | [
"Berberine chloride",
"Ac-RKme3ST-NH2",
"Lysyllysyllysine",
"H-ARTKQTAY-NH2"
] | [
3.6067,
4.9925,
4.4771,
4.3424
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_64 | task2 | D | H-ARTKQTAY-NH2 | [
"D/L-Aspartic acid",
"Lysylarginine",
"lysyllysine",
"H-ARTKQTAY-NH2"
] | [
2.7093,
3.5682,
3.5798,
4.3424
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_65 | task2 | B | H-TARK(me3)STGY-NH2 | [
"Triglycine",
"H-TARK(me3)STGY-NH2",
"Diisopropyl methylphosphonate",
"Lanthanum(III) nitrate hexahydrate"
] | [
3.11,
5.1461,
1.5536,
4.2304
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_66 | task2 | D | Arginyl-arginyl-arginine | [
"1,4-Diazepane",
"trans-Merocyanine",
"H-GGVKKPHY-NH2",
"Arginyl-arginyl-arginine"
] | [
4.0016,
3.5441,
3.8927,
4.5441
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_67 | task2 | C | Tetramethylammonium | [
"Magnesium chloride",
"2,3-diazabicyclo[3.2.2]non-2-ene",
"Tetramethylammonium",
"Norfloxacin"
] | [
3.4399,
2.9777,
4.6498,
4.2763
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_68 | task2 | A | H-GGVK(me3)KPHY-NH2 | [
"H-GGVK(me3)KPHY-NH2",
"Safranine T",
"2,3-Diazabicyclo[2.2.1]-hept-2-ene",
"Berberine chloride"
] | [
5.0414,
4.2894,
2.8292,
3.6067
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_69 | task2 | C | norfloxacin | [
"asymmetric N,N-dimethylarginine",
"Nickel chloride",
"norfloxacin",
"Hexylamine (protonated form)"
] | [
3.0777,
3.7451,
4.0755,
3.6
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_70 | task2 | D | Baicalin | [
"Glycyl-l-alanine",
"D/L-Aspartic acid",
"2-nitrobenzylmethylethercholine",
"Baicalin"
] | [
3.21,
2.7093,
4.1761,
4.214
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_71 | task2 | B | N6-Methyllysine | [
"D/L-Aspartic acid",
"N6-Methyllysine",
"D/L-Tryptophan",
"Lithium ion"
] | [
2.7093,
3.3987,
2.42,
2.143
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_72 | task2 | D | N6-Trimethyllysine | [
"1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene",
"2,3-Diazabicyclo(2.2.2)oct-2-ene",
"Dysprosium(III) chloride",
"N6-Trimethyllysine"
] | [
2.5441,
2.9714,
3.88,
4.3615
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_73 | task2 | D | Pentylamine (protonated form) | [
"Rhodamine B",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine",
"Magnesium chloride",
"Pentylamine (protonated form)"
] | [
3.0218,
2.84,
3.4399,
3.81
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_74 | task2 | C | 2-nitrobenzylmethylethercholine | [
"Diethyl methylphosphonate",
"arginyllysine",
"2-nitrobenzylmethylethercholine",
"Potassium cation"
] | [
1.5232,
3.6335,
4.1761,
2.329
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_75 | task2 | D | L-carnitine | [
"Dysprosium(III) chloride",
"Samarium(III) chloride",
"Neutral red hydrochloride",
"L-carnitine"
] | [
3.88,
3.82,
3.7853,
4.4472
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_76 | task2 | D | H-TARK(me3)STGY-NH2 | [
"Soman",
"L-Threonine",
"Cesium chloride, Caesium chloride",
"H-TARK(me3)STGY-NH2"
] | [
1.8751,
3.19,
2.8816,
5.1461
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_77 | task2 | D | Diquat | [
"1-Butanol",
"1-Heptylamine (fully protonated)",
"Leucyl-glycyl-glycine",
"Diquat"
] | [
1.58,
3.39,
3.12,
7.6335
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_78 | task2 | A | Tetramethylammonium | [
"Tetramethylammonium",
"Ac-AARKSAPY-NH2",
"1-Heptylamine (fully protonated)",
"Leucyl-glycyl-glycine"
] | [
4.6498,
3.6575,
3.39,
3.12
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_79 | task2 | B | Phenyltrimethylammonium Chloride | [
"Guanidinium",
"Phenyltrimethylammonium Chloride",
"Neutral Red protonated",
"N6-Dimethyllysine"
] | [
2.4,
4.8802,
3.5333,
3.9074
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_80 | task2 | C | protonated trans-Merocyanine | [
"1,5-diazacyclooctane",
"Methylarginine",
"protonated trans-Merocyanine",
"Guanidinium"
] | [
4.0806,
2.8808,
4.3979,
2.4
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_81 | task2 | B | Benzyltrimethylammonium chloride | [
"lysyllysine",
"Benzyltrimethylammonium chloride",
"Butyl Rhodamine B",
"Soman"
] | [
3.5798,
4.0396,
3.3483,
1.8751
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_82 | task2 | A | Phenyltrimethylammonium Chloride | [
"Phenyltrimethylammonium Chloride",
"lysyllysine",
"Butyl Rhodamine B",
"Lysyllysyllysine"
] | [
4.8802,
3.5798,
3.3483,
4.4771
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_83 | task2 | D | 2-nitrobenzylmethylethercholine | [
"H-TARKSTGY-NH2",
"Soman",
"L-Leucine",
"2-nitrobenzylmethylethercholine"
] | [
3.9956,
1.8751,
3.08,
4.1761
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_84 | task2 | B | Ac-RKme3ST-NH2 | [
"Berberine chloride",
"Ac-RKme3ST-NH2",
"Europium(III) chloride",
"4-[(E)-2-(3,10a-dihydropyren-1-yl)vinyl]-1-methyl-pyridine"
] | [
3.6067,
4.9925,
3.83,
2.84
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_85 | task2 | D | Copper chloride | [
"glycyl-L-phenylalanine",
"Calcium chloride",
"1-Butanol",
"Copper chloride"
] | [
3.23,
3.6088,
1.58,
3.752
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_86 | task2 | A | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"Samarium(III) chloride",
"Phenyltrimethylammonium",
"1,4-diaminobutane (protonated form)"
] | [
7.2788,
3.82,
4.5999,
4.0212
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_87 | task2 | D | Tetrabutylammonium iodide | [
"H-GGVKKPHY-NH2",
"1-phenyl-2,3-diazabicyclo[2.2.2]oct-2-ene",
"L-Phenylalanine",
"Tetrabutylammonium iodide"
] | [
3.8927,
2.5441,
3.14,
4.1048
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_88 | task2 | B | H-ARTK(me3)QTAY-NH2 | [
"Tetrapropylammonium chloride",
"H-ARTK(me3)QTAY-NH2",
"Acetylthiocholine",
"ethylguanidinium"
] | [
4.4848,
5.301,
4.6998,
3.26
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_89 | task2 | A | 5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium | [
"5,6-dihydropyrazino[1,2,3,4-lmn]-1,10-phenanthrolinium",
"N,N'-dimethyl-1,4-diazabicyclo[2.2.2]octane",
"Succinylcholine",
"butylamine (protonated form)"
] | [
7.2788,
7.1761,
6.0294,
4.0086
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_90 | task2 | D | Tetrapropylammonium chloride | [
"N6-Trimethyllysine",
"Dysprosium(III) chloride",
"Norfloxacin",
"Tetrapropylammonium chloride"
] | [
4.3615,
3.88,
4.2763,
4.4848
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_91 | task2 | C | L-carnitine | [
"Camphor",
"D/L-Tryptophan",
"L-carnitine",
"Ytterbium(III) chloride"
] | [
2.8129,
2.42,
4.4472,
3.81
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_92 | task2 | D | H-ARTK(me3)QTARKSTGY-NH2 | [
"Silver chloride",
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"methyl viologen diiodide",
"H-ARTK(me3)QTARKSTGY-NH2"
] | [
2.433,
2.6812,
5.9666,
7.8261
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_93 | task2 | C | methyl viologen diiodide | [
"H-TARK(me3)STGY-NH2",
"1-isopropyl-4-methyl-2,3-diazabicyclo[2.2.2]octa-2-ene",
"methyl viologen diiodide",
"1,4-butanediol"
] | [
5.1461,
2.6812,
5.9666,
1.2799
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_94 | task2 | C | Rhodamine B | [
"D/L-phenylalanine",
"Soman",
"Rhodamine B",
"Diethyl methylphosphonate"
] | [
2.9133,
1.8751,
3.0218,
1.5232
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_95 | task2 | B | Benzyltrimethylammonium chloride | [
"Potassium cation",
"Benzyltrimethylammonium chloride",
"Glycylglycine",
"1-propanol"
] | [
2.329,
4.0396,
2.99,
1.34
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_96 | task2 | D | H-ARTK(me3)QTARKSTGY-NH2 | [
"Hexylamine (protonated form)",
"lysyllysine",
"Succinylcholine",
"H-ARTK(me3)QTARKSTGY-NH2"
] | [
3.6,
3.5798,
6.0294,
7.8261
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_97 | task2 | B | butylamine (protonated form) | [
"Copper chloride",
"butylamine (protonated form)",
"Camphor",
"D/L-Proline"
] | [
3.752,
4.0086,
2.8129,
3.1045
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_98 | task2 | A | protonated trans-Merocyanine | [
"protonated trans-Merocyanine",
"Ethylammonium",
"trans-Merocyanine",
"L-Alanine"
] | [
4.3979,
3.58,
3.5441,
3.22
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_99 | task2 | C | N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide | [
"Berberine chloride",
"Symmetric-N,N-dimethylarginine",
"N,N′-bis(propylenetrimethylammonium)-3,4,9,10-perylene bisimide",
"H-TARK(me3)STGY-NH2"
] | [
3.6067,
3.0414,
6.2553,
5.1461
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_100 | task2 | D | Tetramethylammonium | [
"protonated trans-Merocyanine",
"Diisopropyl methylphosphonate",
"Potassium cation",
"Tetramethylammonium"
] | [
4.3979,
1.5536,
2.329,
4.6498
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
t2_p-Sulfonatocalix[4]arene_101 | task2 | C | H-GGVK(me3)KPHY-NH2 | [
"asymmetric N,N-dimethylarginine",
"Ethanol",
"H-GGVK(me3)KPHY-NH2",
"Butyl Rhodamine B"
] | [
3.0777,
1.0398,
5.0414,
3.3483
] | p-Sulfonatocalix[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 p-Sulfonatocalix[4]arene (SMILES: C1C2=CC(=CC(=C2O)CC3=CC(=CC(=C3O)CC4=C(C(=CC(=C4)S(=O)(=O)O)CC5=C(C1=... | eupmc | base |
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