messages listlengths 2 2 | task stringclasses 14
values | sample_id stringlengths 29 103 | ground_truth stringlengths 1 2.11k | output_core_tag_left stringclasses 5
values | output_core_tag_right stringclasses 5
values |
|---|---|---|---|---|---|
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the molecular formula of the compound wrappe... | name_conversion-s2f | name_conversion-s2f.train.140497.None | C6H14O5 | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the molecular formula of the compound wrapped ... | name_conversion-i2f | name_conversion-i2f.train.122930.None | C12H24N2O3S | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the IUPAC representation of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the IUPAC representation of the compound ... | name_conversion-s2i | name_conversion-s2i.train.155105.None | (3aR,6aS)-1-(furan-2-ylmethyl)-4-(1-methylpyrazol-4-yl)-3,3a,6,6a-tetrahydro-2H-pyrrolo[3,2-b]pyrrol-5-one | <IUPAC> | </IUPAC> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the molecular formula of the compound wrappe... | name_conversion-s2f | name_conversion-s2f.train.146016.None | C13H24N2O8 | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the molecular formula of the compound wrapped ... | name_conversion-i2f | name_conversion-i2f.train.23014.None | C13H21Cl2NO | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the molecular formula of the compound wrappe... | name_conversion-s2f | name_conversion-s2f.train.202014.None | C32H41FN2O9 | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the description of a molecule, your task is to generate the potential SMILES representation of the molecule.\n The input contains the description of the molecule. Your reply should contain the potential SMILES representation of the molecule w... | molecule_generation | molecule_generation.train.18020.None | CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@H](O)/C=C/CCCCCCCCC(C)CC | <SMILES> | </SMILES> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the molecular formula of the compound wrapped ... | name_conversion-i2f | name_conversion-i2f.train.27874.None | C10H14O2 | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the SMILES representation of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the SMILES representation of the compound ... | name_conversion-i2s | name_conversion-i2s.train.102301.None | CCOC1=NC=NC(NCC(C)CCCl)=C1C | <SMILES> | </SMILES> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the IUPAC representation of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the IUPAC representation of the compound ... | name_conversion-s2i | name_conversion-s2i.train.27749.None | 3-(5,7-dimethyl-4,6-dioxo-[1,2]oxazolo[3,4-d]pyrimidin-3-yl)propanoic acid | <IUPAC> | </IUPAC> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the SMILES representation of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the SMILES representation of the compound ... | name_conversion-i2s | name_conversion-i2s.train.126712.None | COC1=CC(N)=CC(C2=NN=NN2CC2=CC=CC=C2)=C1 | <SMILES> | </SMILES> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the description of a molecule, your task is to generate the potential SMILES representation of the molecule.\n The input contains the description of the molecule. Your reply should contain the potential SMILES representation of the molecule w... | molecule_generation | molecule_generation.train.47855.None | CCCCCCCCCCCCC/C=C/[C@@H](O)[C@H](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O[C@]3(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]4(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@@H](CO)O[C@]5(C(=O)O)C[C@H](O)[C@@H](NC(C)=O)[C@H]([C@H](O)[C@H](O... | <SMILES> | </SMILES> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the description of a molecule, your task is to generate the potential SMILES representation of the molecule.\n The input contains the description of the molecule. Your reply should contain the potential SMILES representation of the molecule w... | molecule_generation | molecule_generation.train.6026.None | O=P(O)(O)OC[C@H]1OC(O)[C@H](O)[C@@H](O)[C@@H]1O | <SMILES> | </SMILES> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the octanol/water partition coefficient of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain the octanol/water partition coe... | property_prediction-lipo | property_prediction-lipo.train.539.None | .25 | <NUMBER> | </NUMBER> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the SMILES representation of compounds, your task is to predict the molecular formula of the compound.\n The input contains the SMILES representation of the compound. Your reply should contain only the molecular formula of the compound wrappe... | name_conversion-s2f | name_conversion-s2f.train.89226.None | C15H18F2N2OS | <MOLFORMULA> | </MOLFORMULA> |
[
{
"role": "user",
"content": "You are an expert chemist. Given the IUPAC representation of compounds, your task is to predict the SMILES representation of the compound.\n The input contains the IUPAC representation of the compound. Your reply should contain only the SMILES representation of the compound ... | name_conversion-i2s | name_conversion-i2s.train.179466.None | CN=C(NCCCN(C)CC(F)(F)F)N(C)CC1CCOC1;I | <SMILES> | </SMILES> |
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