RAL Datasets
Collection
Datasets for Reinforced Adversarial Learning: training reasoning models from reference answers alone. • 5 items • Updated
example_id int64 0 18.7k | prompt listlengths 2 2 | answer stringlengths 4 18 | info dict |
|---|---|---|---|
635 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H15N | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1ccc(C)c(CCN)c1",
"reference": "C10H15N",
"reference_smiles": "Cc1ccc(C)c(CCN)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix_... |
2,927 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H8N2O3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCNC(=O)n1oc(=O)c2ccccc21",
"reference": "C9H8N2O3",
"reference_smiles": "CNC(=O)n1oc(=O)c2ccccc21",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_... |
14,263 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H6BrCl2NO | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(Nc1cccc(Br)c1)C(Cl)Cl",
"reference": "C8H6BrCl2NO",
"reference_smiles": "O=C(Nc1cccc(Br)c1)C(Cl)Cl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"refer... |
5,248 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H15N5O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nC/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1",
"reference": "C9H15N5O4",
"reference_smiles": "C/N=C(/N)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
... |
2,258 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H16ClN3O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1ccc([N+](=O)[O-])c(NCCCN)c1.Cl",
"reference": "C10H16ClN3O2",
"reference_smiles": "Cc1ccc([N+](=O)[O-])c(NCCCN)c1.Cl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length... |
1,271 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H12Br2FN | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCN(C)CC(Br)c1ccc(F)c(Br)c1",
"reference": "C10H12Br2FN",
"reference_smiles": "CN(C)CC(Br)c1ccc(F)c(Br)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"ref... |
18,325 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H10BrFN2O5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2Br)cc1F",
"reference": "C9H10BrFN2O5",
"reference_smiles": "O=c1[nH]c(=O)n([C@@H]2O[C@H](CO)[C@H](O)[C@H]2Br)cc1F",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": ... |
6,776 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H16N2O9S4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCS(=O)(=O)OCCN(N(S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O",
"reference": "C6H16N2O9S4",
"reference_smiles": "CS(=O)(=O)OCCN(N(S(C)(=O)=O)S(C)(=O)=O)S(C)(=O)=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"... |
13,558 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H14N2O5S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](CN)[C@H]2S1(=O)=O",
"reference": "C9H14N2O5S",
"reference_smiles": "CC1(C)[C@H](C(=O)O)N2C(=O)[C@@H](CN)[C@H]2S1(=O)=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
... |
10,450 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H6N4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nc1ccc2c(c1)ncc1nncn12",
"reference": "C9H6N4",
"reference_smiles": "c1ccc2c(c1)ncc1nncn12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_... |
14,933 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H11FO5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO[C@@H]1[C@@H](O)[C@H](O)[C@H]([18F])[C@H](O)[C@H]1O",
"reference": "C6H11FO5",
"reference_smiles": "O[C@@H]1[C@@H](O)[C@H](O)[C@H]([18F])[C@H](O)[C@H]1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
... |
382 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H9NO | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1ccnc2c(O)cccc12",
"reference": "C10H9NO",
"reference_smiles": "Cc1ccnc2c(O)cccc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefi... |
932 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H13N3O5S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNC(=O)c1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1S",
"reference": "C9H13N3O5S",
"reference_smiles": "NC(=O)c1ncn(C2O[C@H](CO)[C@@H](O)[C@H]2O)c1S",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_f... |
4,018 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H9ClN4O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOc1nncc(NCc2ccccc2Cl)n1",
"reference": "C10H9ClN4O",
"reference_smiles": "Oc1nncc(NCc2ccccc2Cl)n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_... |
14,082 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H5NO3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nN#Cc1cc(C=O)cc(O)c1O",
"reference": "C8H5NO3",
"reference_smiles": "N#Cc1cc(C=O)cc(O)c1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_p... |
14,481 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H7Cl2NO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC(=O)Nc1cc(Cl)cc(Cl)c1O",
"reference": "C8H7Cl2NO2",
"reference_smiles": "CC(=O)Nc1cc(Cl)cc(Cl)c1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"referenc... |
2,597 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H14N5O6P | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCOC(=O)[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O",
"reference": "C10H14N5O6P",
"reference_smiles": "COC(=O)[C@H](Cn1cnc2c(N)ncnc21)OCP(=O)(O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_form... |
7,065 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H8ClNO2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCl.NCc1csc(C(=O)O)c1",
"reference": "C6H8ClNO2S",
"reference_smiles": "Cl.NCc1csc(C(=O)O)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formul... |
10,195 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H6N2O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCn1cc([N+](=O)[O-])cc1C(=O)O",
"reference": "C6H6N2O4",
"reference_smiles": "Cn1cc([N+](=O)[O-])cc1C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"re... |
7,982 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H6ClN3OS2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCOc1ccc(/N=c2\\ssnc2Cl)cn1",
"reference": "C8H6ClN3OS2",
"reference_smiles": "COc1ccc(/N=c2\\ssnc2Cl)cn1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"ref... |
5,808 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H10O5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC(=O)OCC(=O)COC(C)=O",
"reference": "C7H10O5",
"reference_smiles": "CC(=O)OCC(=O)COC(C)=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula... |
482 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H6N2O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12",
"reference": "C10H6N2O4",
"reference_smiles": "O=[N+]([O-])c1cccc2c([N+](=O)[O-])cccc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_pr... |
2,272 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C5H10N2O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(CCCC(=O)NO)NO",
"reference": "C5H10N2O4",
"reference_smiles": "O=C(CCCC(=O)NO)NO",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefi... |
2,121 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H9FO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC(=O)/C=C/c1cccc(F)c1O",
"reference": "C10H9FO2",
"reference_smiles": "CC(=O)/C=C/c1cccc(F)c1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_fo... |
8,069 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H4N2OS | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOc1ncnc2ccsc12",
"reference": "C6H4N2OS",
"reference_smiles": "Oc1ncnc2ccsc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix_missi... |
8,489 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H8N6 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1nc2nc(-c3ccncc3)ccn2n1",
"reference": "C10H8N6",
"reference_smiles": "Nc1nc2nc(-c3ccncc3)ccn2n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference... |
7,908 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H13FN4O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=[N+]([O-])/N=C1\\NCCN1CCCCF",
"reference": "C7H13FN4O2",
"reference_smiles": "O=[N+]([O-])/N=C1\\NCCN1CCCCF",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
6,198 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H18NO+ | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC(=O)C1CC[N+](C)(C)CC1",
"reference": "C9H18NO+",
"reference_smiles": "CC(=O)C1CC[N+](C)(C)CC1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_fo... |
14,578 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C5H5N5O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1ncnc2[nH]c(O)nc12",
"reference": "C5H5N5O",
"reference_smiles": "Nc1ncnc2[nH]c(O)nc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_p... |
17,454 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H10O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCC(=O)c1cc(O)c(O)c(O)c1",
"reference": "C9H10O4",
"reference_smiles": "CCC(=O)c1cc(O)c(O)c(O)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_f... |
4,861 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H9ClO3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nC[C@@H](Oc1ccc(Cl)cc1)C(=O)O",
"reference": "C9H9ClO3",
"reference_smiles": "C[C@@H](Oc1ccc(Cl)cc1)C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"re... |
11,171 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H12N4O5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOC[C@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O",
"reference": "C10H12N4O5",
"reference_smiles": "OC[C@H]1OC(n2cnc3c(O)ncnc32)[C@H](O)[C@@H]1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_f... |
12,040 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H10F2N2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nN[C@@H](Cc1ccc(F)c(F)c1)C(=O)NO",
"reference": "C9H10F2N2O2",
"reference_smiles": "N[C@@H](Cc1ccc(F)c(F)c1)C(=O)NO",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": nu... |
3,850 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H10O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC[C@@H]1OC(=O)c2ccccc21",
"reference": "C10H10O2",
"reference_smiles": "CC[C@@H]1OC(=O)c2ccccc21",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_... |
6,034 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H13N3O2S2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCS(=O)(=O)Nc1nnc(C2CCCC2)s1",
"reference": "C8H13N3O2S2",
"reference_smiles": "CS(=O)(=O)Nc1nnc(C2CCCC2)s1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"r... |
11,187 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H7IO2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(O)/C(S)=C/c1cccc(I)c1",
"reference": "C9H7IO2S",
"reference_smiles": "O=C(O)/C(S)=C/c1cccc(I)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"referenc... |
15,836 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H11N3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNC1=NC(c2ccccc2)CN1",
"reference": "C9H11N3",
"reference_smiles": "NC1=NC(c2ccccc2)CN1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_pre... |
18,248 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H6BFO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOB1OCc2ccc(F)cc21",
"reference": "C7H6BFO2",
"reference_smiles": "OB1OCc2ccc(F)cc21",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix... |
10,508 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H14IN3O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCNC(=O)OCc1n(C)cc[n+]1C.[I-]",
"reference": "C8H14IN3O2",
"reference_smiles": "CNC(=O)OCc1n(C)cc[n+]1C.[I-]",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"... |
1,685 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H7NO4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1cccc(C(=O)O)c1C(=O)O",
"reference": "C8H7NO4",
"reference_smiles": "Nc1cccc(C(=O)O)c1C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_for... |
8,414 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H9N5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1cc(C)n2nc(N)nc2n1",
"reference": "C7H9N5",
"reference_smiles": "Cc1cc(C)n2nc(N)nc2n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_pr... |
17,770 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C4H10O9P2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(O)CSCCOP(=O)(O)OP(=O)(O)O",
"reference": "C4H10O9P2S",
"reference_smiles": "O=C(O)CSCCOP(=O)(O)OP(=O)(O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
9,543 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H10Cl2N4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nClCCCn1nnnc1-c1ccccc1Cl",
"reference": "C10H10Cl2N4",
"reference_smiles": "ClCCCn1nnnc1-c1ccccc1Cl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference... |
16,760 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H10N8 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1nn(C)cc1/C=N/n1nnnc1N",
"reference": "C7H10N8",
"reference_smiles": "Cc1nn(C)cc1/C=N/n1nnnc1N",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_f... |
14,736 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H5N3O7 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(O)c1cc(O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2n1",
"reference": "C10H5N3O7",
"reference_smiles": "O=C(O)c1cc(O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
... |
9,716 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H9ClN2O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1cc(=O)n(-c2ccccc2Cl)[nH]1",
"reference": "C10H9ClN2O",
"reference_smiles": "Cc1cc(=O)n(-c2ccccc2Cl)[nH]1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"... |
18,162 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H20N2O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCCCCN(CCCC)N=O",
"reference": "C9H20N2O",
"reference_smiles": "CCCCCN(CCCC)N=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix_mis... |
5,121 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H7ClN4O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOc1c2ncnc-2ncn1CCCl",
"reference": "C7H7ClN4O",
"reference_smiles": "Oc1c2ncnc-2ncn1CCCl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_p... |
17,994 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H9N3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1nc(-c2cccnc2)c[nH]1",
"reference": "C9H9N3",
"reference_smiles": "Cc1nc(-c2cccnc2)c[nH]1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formul... |
15,274 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H11N3O4S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nN=C1SCCN1N.O=C(O)/C=C\\C(=O)O",
"reference": "C7H11N3O4S",
"reference_smiles": "N=C1SCCN1N.O=C(O)/C=C\\C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
1,208 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H20N3PS | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nS=P(N1CCCCCC1)(N1CC1)N1CC1",
"reference": "C10H20N3PS",
"reference_smiles": "S=P(N1CCCCCC1)(N1CC1)N1CC1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"refe... |
11,985 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H7N5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nc1ccc(-c2nc3c[nH]cnc-3n2)nc1",
"reference": "C10H7N5",
"reference_smiles": "c1ccc(-c2nc3c[nH]cnc-3n2)nc1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"ref... |
4,115 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H7NO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNC(=O)c1ccc(O)cc1",
"reference": "C7H7NO2",
"reference_smiles": "NC(=O)c1ccc(O)cc1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix_... |
10,319 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H6ClN5OS2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCSc1nc(Cl)c2c(n1)Sc1ncnn1C2O",
"reference": "C8H6ClN5OS2",
"reference_smiles": "CSc1nc(Cl)c2c(n1)Sc1ncnn1C2O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
10,093 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H12N2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCOc1cc(C)ncc1C(N)=O",
"reference": "C9H12N2O2",
"reference_smiles": "CCOc1cc(C)ncc1C(N)=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula... |
13,982 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H8ClF3N2O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNC1=NC(c2ccc(Cl)cc2C(F)(F)F)CO1",
"reference": "C10H8ClF3N2O",
"reference_smiles": "NC1=NC(c2ccc(Cl)cc2C(F)(F)F)CO1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": n... |
7,428 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H15Cl2N2O13P3S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1",
"reference": "C10H15Cl2N2O13P3S",
"reference_smiles": "O=c1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)C(Cl)(Cl)P(=O)(O)O)[C@@H](O)[C@H]2O)c(=S)[nH]1"... |
3,082 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H13O5P | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C(O)C(Cc1ccccc1)CP(=O)(O)O",
"reference": "C10H13O5P",
"reference_smiles": "O=C(O)C(Cc1ccccc1)CP(=O)(O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"r... |
13,250 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H10N4O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCOc1ccc(C(=O)n2cnc(N)n2)cc1",
"reference": "C10H10N4O2",
"reference_smiles": "COc1ccc(C(=O)n2cnc(N)n2)cc1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"re... |
9,761 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H9NO5S3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1",
"reference": "C10H9NO5S3",
"reference_smiles": "NS(=O)(=O)c1cc(S(=O)(=O)c2ccc(O)cc2)cs1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_pre... |
4,080 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H5I2NO3S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C1NC(=O)/C(=C/c2cc(I)c(O)c(I)c2)S1",
"reference": "C10H5I2NO3S",
"reference_smiles": "O=C1NC(=O)/C(=C/c2cc(I)c(O)c(I)c2)S1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_l... |
15,755 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H10N3O2S+ | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC[N+]1=C2SC=NN2C(=O)C(C)C1=O",
"reference": "C8H10N3O2S+",
"reference_smiles": "CC[N+]1=C2SC=NN2C(=O)C(C)C1=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
2,922 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H11N5O2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nN=C(N)NNS(=O)(=O)c1cccc(N)c1",
"reference": "C7H11N5O2S",
"reference_smiles": "N=C(N)NNS(=O)(=O)c1cccc(N)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"... |
10,546 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H15FN5O5P | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1nc2c(ncn2C[C@H](CF)OCCP(=O)(O)O)c(=O)[nH]1",
"reference": "C10H15FN5O5P",
"reference_smiles": "Nc1nc2c(ncn2C[C@H](CF)OCCP(=O)(O)O)c(=O)[nH]1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"referen... |
707 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H5IN2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=[N+]([O-])c1cccn1CC#CI",
"reference": "C7H5IN2O2",
"reference_smiles": "O=[N+]([O-])c1cccn1CC#CI",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference... |
18,376 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H9F2N3O2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1nc(=O)n([C@H]2S[C@@H](CO)C=C2F)cc1F",
"reference": "C9H9F2N3O2S",
"reference_smiles": "Nc1nc(=O)n([C@H]2S[C@@H](CO)C=C2F)cc1F",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_pref... |
2,167 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H5BrN2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=c1[nH]cnc2c1oc1ccc(Br)cc12",
"reference": "C10H5BrN2O2",
"reference_smiles": "O=c1[nH]cnc2c1oc1ccc(Br)cc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
3,265 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H15NO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nC[C@H](N[11CH3])[C@H](O)c1cccc(O)c1",
"reference": "C10H15NO2",
"reference_smiles": "C[C@H](N[11CH3])[C@H](O)c1cccc(O)c1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_lengt... |
16,541 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H11FN2O5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=c1[nH]c(=O)n(C2COC(CO)C2O)cc1F",
"reference": "C9H11FN2O5",
"reference_smiles": "O=c1[nH]c(=O)n(C2COC(CO)C2O)cc1F",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": n... |
6,420 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H13N5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCn1nnc(C2=CCCNC2)n1",
"reference": "C8H13N5",
"reference_smiles": "CCn1nnc(C2=CCCNC2)n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_p... |
584 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H13NO5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOC1[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)N2C[C@@H]1O",
"reference": "C7H13NO5",
"reference_smiles": "OC1[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)N2C[C@@H]1O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"referen... |
3,990 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H7NO2S2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nS=c1cc(-c2ccc3c(c2)OCO3)s[nH]1",
"reference": "C10H7NO2S2",
"reference_smiles": "S=c1cc(-c2ccc3c(c2)OCO3)s[nH]1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,... |
5,233 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H14N4O3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNCCC(=O)NC(Cc1c[nH]cn1)C(=O)O",
"reference": "C9H14N4O3",
"reference_smiles": "NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
... |
6,175 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H13N3S2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCn1cccc1CNC(=S)SCCC#N",
"reference": "C10H13N3S2",
"reference_smiles": "Cn1cccc1CNC(=S)SCCC#N",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_form... |
6,833 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H10Cl2N2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCl.Cl.NCc1ccncc1",
"reference": "C6H10Cl2N2",
"reference_smiles": "Cl.Cl.NCc1ccncc1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix... |
3,979 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H10Br2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C1OC(=C(Br)Br)C2CCCCC12",
"reference": "C9H10Br2O2",
"reference_smiles": "O=C1OC(=C(Br)Br)C2CCCCC12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"refere... |
8,138 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H11FN2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNCCc1c[nH]c2c(F)cccc12",
"reference": "C10H11FN2",
"reference_smiles": "NCCc1c[nH]c2c(F)cccc12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_for... |
11,132 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H10N4O3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCn1cnc([N+](=O)[O-])c1Nc1ccc(O)cc1",
"reference": "C10H10N4O3",
"reference_smiles": "Cn1cnc([N+](=O)[O-])c1Nc1ccc(O)cc1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length... |
13,024 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H14N2OS2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCn1c(C)c(C(C)=O)c(SC)nc1=S",
"reference": "C10H14N2OS2",
"reference_smiles": "CCn1c(C)c(C(C)=O)c(SC)nc1=S",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"r... |
2,588 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H14O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nC[C@H](O)[C@@H]1C=CC(C2CCC(=O)O2)O1",
"reference": "C10H14O4",
"reference_smiles": "C[C@H](O)[C@@H]1C=CC(C2CCC(=O)O2)O1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length... |
10,352 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H5Br2NO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nO=C1/C(=N/O)Cc2c(Br)ccc(Br)c21",
"reference": "C9H5Br2NO2",
"reference_smiles": "O=C1/C(=N/O)Cc2c(Br)ccc(Br)c21",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,... |
2,451 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H9BrOS2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCSc1sc(Br)c2c1C(=O)CCC2",
"reference": "C9H9BrOS2",
"reference_smiles": "CSc1sc(Br)c2c1C(=O)CCC2",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_f... |
8,997 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H6O4S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCOC(=O)c1cc2c(s1)C(=O)C=CC2=O",
"reference": "C10H6O4S",
"reference_smiles": "COC(=O)c1cc2c(s1)C(=O)C=CC2=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"... |
6,704 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H15NO4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2O",
"reference": "C8H15NO4",
"reference_smiles": "CN1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)[C@H]2O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_f... |
8,350 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C3H2ClN7 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nClc1[nH]nnc1-c1nn[nH][15n]1",
"reference": "C3H2ClN7",
"reference_smiles": "Clc1[nH]nnc1-c1nn[nH][15n]1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"refe... |
7,024 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H10Cl2N2O | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCO/N=C/Nc1cc(Cl)ccc1Cl",
"reference": "C9H10Cl2N2O",
"reference_smiles": "CCO/N=C/Nc1cc(Cl)ccc1Cl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference... |
9,890 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H15NO2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCN1CCC2(CC1)CC(=O)CO2",
"reference": "C9H15NO2",
"reference_smiles": "CN1CCC2(CC1)CC(=O)CO2",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formul... |
7,697 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C6H14N2O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC(CN)C(CN)C(=O)O",
"reference": "C6H14N2O2",
"reference_smiles": "CC(CN)C(CN)C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefi... |
7,412 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H8ClN3O2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCOC(=O)CSc1nc2cc(Cl)c[nH]c-2n1",
"reference": "C9H8ClN3O2S",
"reference_smiles": "COC(=O)CSc1nc2cc(Cl)c[nH]c-2n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null... |
1,088 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H9ClN4O4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nOCC1OC[C@@H](On2cnc3c(Cl)ncnc32)O1",
"reference": "C9H9ClN4O4",
"reference_smiles": "OCC1OC[C@@H](On2cnc3c(Cl)ncnc32)O1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length... |
18,448 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H19N3O3 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCC[C@H](C)[C@H](NC(=O)[C@@H](N)CN)C(=O)O",
"reference": "C9H19N3O3",
"reference_smiles": "CC[C@H](C)[C@H](NC(=O)[C@@H](N)CN)C(=O)O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_pr... |
2,551 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H8N2S2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1csc2nc(-c3cccs3)cn12",
"reference": "C10H8N2S2",
"reference_smiles": "Cc1csc2nc(-c3cccs3)cn12",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_f... |
8,127 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H13IN2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCSc1cn2c([n+]1C)CCC2.[I-]",
"reference": "C8H13IN2S",
"reference_smiles": "CSc1cn2c([n+]1C)CCC2.[I-]",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"referen... |
5,369 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H14ClN3S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1[nH]cnc1CSCCN.Cl",
"reference": "C7H14ClN3S",
"reference_smiles": "Cc1[nH]cnc1CSCCN.Cl",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_... |
5,125 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H12O2 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nC=C1C(=O)O[C@H]2CCC[C@@H]1C2",
"reference": "C9H12O2",
"reference_smiles": "C=C1C(=O)O[C@H]2CCC[C@@H]1C2",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"ref... |
6,205 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H12BCl2NO4 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCl.NCC1OB(O)c2c3c(cc(Cl)c21)OCCO3",
"reference": "C10H12BCl2NO4",
"reference_smiles": "Cl.NCC1OB(O)c2c3c(cc(Cl)c21)OCCO3",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_lengt... |
9,542 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C10H14N2O5S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCCCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O",
"reference": "C10H14N2O5S",
"reference_smiles": "CCCOc1cc([N+](=O)[O-])ccc1NS(C)(=O)=O",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix... |
6,088 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C9H7ClFN5 | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nNc1nc(N)nc(-c2cc(Cl)ccc2F)n1",
"reference": "C9H7ClFN5",
"reference_smiles": "Nc1nc(N)nc(-c2cc(Cl)ccc2F)n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"r... |
14,344 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C7H8O2S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1cc(C(=O)O)sc1C",
"reference": "C7H8O2S",
"reference_smiles": "Cc1cc(C(=O)O)sc1C",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_prefix_... |
4,584 | [
{
"role": "system",
"content": "You are a careful chemistry assistant. Given a SMILES string, compute its molecular formula exactly.\nThink only as much as needed.\n\nYour final answer must use exactly this format:\n<think>thinking</think>\n<answer>FORMULA</answer>\n\nDo not write anything before or after t... | C8H7N3S | {
"question": "Compute the molecular formula for this SMILES string.\n\nSMILES:\nCc1nsc(-c2ccncc2)n1",
"reference": "C8H7N3S",
"reference_smiles": "Cc1nsc(-c2ccncc2)n1",
"reference_formula_prefix": null,
"reference_formula_prefix_mode": null,
"reference_formula_prefix_length": null,
"reference_formula_pre... |
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