MMChat SFT
Collection
22 items • Updated
id int64 0 124k | molecules dict | messages listlengths 3 3 | ground_truth stringclasses 1 value |
|---|---|---|---|
0 | {
"selfies": [
"[O][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Branch1][C][F][C][=C][Ring1][#Branch2][F]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][Ring1][C][O][=C][Branch1][C][F][C][=C][Ring1][=Branch2][F]"
],
"smiles": [
"O=Cc1cc([N+](=O)[O-])c(F)cc1F",
"O=[N+]([O-])c1cc(CO)c(F)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
1 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N]",
"[O][=C][Branch1][C][O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N]"
],
"smiles": [
"COC(=O)CCC1CCCCCCCCCCC1",
"O=C(O)CCC1CCCCCCCCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
2 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=N][Ring1][=C]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch1][#C][O][C][C][Branch1][C][F][Branch1][C][F][C][Branch1][C][F][F][C][=N][Ring1][=C]"
],
"smiles": [
"COC(=O)c1ccc(OCC(F)(F)C(F)F)cn1",
"O=C(O)c1ccc(OCC(F)(F)C(F)F)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
3 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][C][=C][Branch1][C][C][N][Branch2][Ring1][O][C][=C][N][=C][Branch1][Ring1][C][N][C][Branch1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][=N][Ring1][S][N][=Ring2][Ring1][=Branch1]",
"[C][C][=Branch1][C][=O][N][C][C][=N][C][=C][Branch1][N][N][N][=C][Branch1][C][C][C][=C][Ring1][=Branch1][C][N][=C][Ring1][=N][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]"
],
"smiles": [
"CC(=O)OC(C)=O",
"Cc1cc(C)n(-c2cnc(CN)c(Nc3ccc(Cl)cc3)n2)n1",
"CC(=O)NCc1ncc(-n2nc(C)cc2C)nc1Nc1ccc(Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
4 | {
"selfies": [
"[C][=C][C][Br]",
"[C][C][O][C][=C][C][=C][Branch1][P][C][C][=C][C][Branch1][C][Br][=C][Branch1][C][O][C][=C][Ring1][Branch2][Cl][C][=C][Ring1][S]",
"[C][=C][C][O][C][=C][C][Branch1][C][Cl][=C][Branch1][#C][C][C][=C][C][=C][Branch1][Ring2][O][C][C][C][=C][Ring1][=Branch2][C][=C][Ring1][P][Br]"
],
"smiles": [
"C=CCBr",
"CCOc1ccc(Cc2cc(Br)c(O)cc2Cl)cc1",
"C=CCOc1cc(Cl)c(Cc2ccc(OCC)cc2)cc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
5 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][=N][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=Branch1][C][=O][O][C][=C][Ring2][Ring1][C][Cl]",
"[C][C][=C][N][=C][Branch1][C][N][C][=N][Ring1][#Branch1]",
"[C][C][=C][N][=C][Branch2][Ring2][#Branch2][N][C][=Branch1][C][=O][C][Branch1][=N][C][C][C][C][C][=Branch1][C][=O][C][C][Ring1][#Branch1][C][=C][C][=C][Branch1][=Branch2][S][Branch1][C][C][=Branch1][C][=O][=O][C][Branch1][C][Cl][=C][Ring1][O][C][=N][Ring2][Ring1][=N]"
],
"smiles": [
"CS(=O)(=O)c1ccc(C(CC2CCC(=O)CC2)C(=O)O)cc1Cl",
"Cc1cnc(N)cn1",
"Cc1cnc(NC(=O)C(CC2CCC(=O)CC2)c2ccc(S(C)(=O)=O)c(Cl)c2)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
6 | {
"selfies": [
"[C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][Ring1][=C][N][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][O][N][Ring1][=C][N][C][C][C][N]"
],
"smiles": [
"CCOCc1nc2c(N)nc3ccccc3c2n1NCCCNC(=O)OC(C)(C)C",
"CCOCc1nc2c(N)nc3ccccc3c2n1NCCCN"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
7 | {
"selfies": [
"[C][=C][C][Br]",
"[O][C][C][C][C][C][O]",
"[C][=C][C][O][C][C][C][C][C][O]"
],
"smiles": [
"C=CCBr",
"OCCCCCO",
"C=CCOCCCCCO"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
8 | {
"selfies": [
"[C][#C][C][C][C][C][C][Ring1][Branch1]",
"[C][O][C][=C][C][Branch1][C][Br][=C][Branch1][C][F][C][=C][Ring1][Branch2][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][Branch1][#Branch2][C][#C][C][C][C][C][C][Ring1][Branch1][=C][Branch1][C][F][C][=C][Ring1][=C][N][C][=Branch1][C][=O][C][=N][C][=C][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][=C][O][N][=Ring1][Branch1][=C][C][=C][Ring1][#C][Ring2][Ring1][Ring2]"
],
"smiles": [
"C#CC1CCCC1",
"COc1cc(Br)c(F)cc1-n1c(=O)cnc2cc(S(=O)(=O)Nc3ccon3)ccc21",
"COc1cc(C#CC2CCCC2)c(F)cc1-n1c(=O)cnc2cc(S(=O)(=O)Nc3ccon3)ccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
9 | {
"selfies": [
"[C][C][I]",
"[C][O][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][=C][C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][=O][=C][Ring2][Ring1][Ring2][O]",
"[C][C][O][C][=C][Branch1][#C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][Branch1][=O][C][=C][C][Branch1][#Branch1][O][C][Branch1][C][F][F][=C][Ring2][Ring1][Ring2][O][C]"
],
"smiles": [
"CCI",
"COc1c(OC(F)F)ccc(-c2cccc3c2CCC3=O)c1O",
"CCOc1c(-c2cccc3c2CCC3=O)ccc(OC(F)F)c1OC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
10 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=Branch2][Ring1][#C][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][O][C][=Branch1][#C][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][#C][=O]",
"[C][O][C][=C][C][=C][C][=Branch1][S][=C][Ring1][=Branch1][C][Branch1][C][C][N][C][C][N][C][C][Ring1][=Branch1][O][C][=Branch1][#C][=C][C][=N][NH1][C][=C][C][=C][C][=C][Ring1][=Branch2][Ring1][=Branch1][C][Ring2][Ring1][Branch2][=O]"
],
"smiles": [
"COc1ccc2c(c1C(C)N1CCN(C(=O)OC(C)(C)C)CC1)OC(=Cc1n[nH]c3ccccc13)C2=O",
"COc1ccc2c(c1C(C)N1CCNCC1)OC(=Cc1n[nH]c3ccccc13)C2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
11 | {
"selfies": [
"[C][O][C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F]",
"[C][O][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][F]"
],
"smiles": [
"COCC(=O)Cl",
"Nc1cc([N+](=O)[O-])ccc1F",
"COCC(=O)Nc1cc([N+](=O)[O-])ccc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
12 | {
"selfies": [
"[C][N][C][C][C][Branch1][P][C][=C][NH1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch2][Ring1][#Branch1][C][C][Ring1][S]",
"[C][O][C][=Branch1][C][=O][Cl]",
"[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][NH1][C][=C][Branch1][N][C][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][C][Ring1][N][=C][Ring1][S]"
],
"smiles": [
"CN1CCC(c2c[nH]c3ccc(N)cc23)CC1",
"COC(=O)Cl",
"COC(=O)Nc1ccc2[nH]cc(C3CCN(C)CC3)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
13 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][Branch1][N][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O]",
"[O][=C][Branch1][C][O][C][Branch1][N][C][C][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][O][C][C][C][Branch1][C][F][Branch1][C][F][F][C][=Branch1][C][=O][N][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Branch1][=Branch2][C][=C][C][=C][C][=N][Ring1][=Branch1][C][Ring2][Ring1][#Branch1][=O]"
],
"smiles": [
"CC(C)(C)OC(=O)C(CCCC(F)(F)F)C(CCC(F)(F)F)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(c2ccccn2)C1=O",
"O=C(O)C(CCCC(F)(F)F)C(CCC(F)(F)F)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(c2ccccn2)C1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
14 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][N][C][=C][Branch1][C][C][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][O][Ring1][=Branch2][C][=C][Ring2][Ring1][Branch1]",
"[C][C][=Branch1][P][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][Branch1][C][C][Branch1][C][C][C][C][O][Ring1][=Branch2]"
],
"smiles": [
"CCOC(=O)c1ccc(C=C(C)c2ccc3c(c2)C(C)(C)CCO3)cc1",
"CC(=Cc1ccc(C(=O)O)cc1)c1ccc2c(c1)C(C)(C)CCO2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
15 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][=C][C][=C][C][Branch2][Ring2][S][C][=Branch2][Ring2][Ring2][=C][C][N][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][S][Branch1][C][C][=Branch1][C][=O][=O][=C][Ring2][Ring1][=C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][C][=Branch2][Ring2][Ring2][=C][C][N][Branch2][Ring1][#Branch2][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)OCc1cccc(C(=C2CN(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)C2)S(C)(=O)=O)c1",
"CS(=O)(=O)C(=C1CN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)C1)c1cccc(CO)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
16 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][Ring1][O][C][C]",
"[O][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][=N][C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][#C][N][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][S][=N][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring2][Ring1][N][O][C][C]"
],
"smiles": [
"CCOC(=O)c1nc(-c2ccc(N)cc2)nc(N2CCOCC2)c1OCC",
"O=C=Nc1ccccc1",
"CCOC(=O)c1nc(-c2ccc(NC(=O)Nc3ccccc3)cc2)nc(N2CCOCC2)c1OCC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
17 | {
"selfies": [
"[C][C][C][=Branch1][C][=O][N][N][=C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][=C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][Ring2][Ring1][N]",
"[C][C][C][=Branch1][C][=O][N][N][=C][C][O][C][=C][C][=C][Branch2][Ring1][Branch2][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][#Branch1][Ring2][Ring1][N]"
],
"smiles": [
"CC1C(=O)NN=C2COc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)cc3N21",
"CC1C(=O)NN=C2COc3ccc(C4CCN(C(=O)OC(C)(C)C)CC4)cc3N21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
18 | {
"selfies": [
"[O][=C][Branch1][C][Cl][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2]",
"[O][=C][C][C][N][C][C][C][C][Branch1][P][O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2][C][N][Ring2][Ring1][Ring2][Ring1][#C]",
"[O][=C][Branch2][Ring1][Ring1][C][=C][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][#Branch2][N][C][C][C][=Branch1][C][=O][N][C][C][Branch1][P][O][C][=C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][Ring1][=Branch2][C][C][Ring1][#C][C][Ring2][Ring1][Branch1]"
],
"smiles": [
"O=C(Cl)c1cccc(C(F)(F)F)c1",
"O=C1CCNCC2CC(Oc3cnc(C4CC4)cn3)CN12",
"O=C(c1cccc(C(F)(F)F)c1)N1CCC(=O)N2CC(Oc3cnc(C4CC4)cn3)CC2C1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
19 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][O][C][Ring2][Ring1][Branch2][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][O][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][C][C][N][C][=N][C][=C][C][=C][Branch2][Ring1][=C][C][=C][C][=C][C][=C][Branch1][=N][N][C][=Branch1][C][=O][C][C][=C][S][C][=Ring1][Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][C][C][=C][C][=C][Ring2][Ring1][N][Ring2][Ring1][Branch2]"
],
"smiles": [
"CC1(C)OB(c2ccc3cc(NC(=O)c4ccsc4)ccc3c2)OC1(C)C",
"CN(C)CCCNc1nccc2c(Br)cccc12",
"CN(C)CCCNc1nccc2c(-c3ccc4cc(NC(=O)c5ccsc5)ccc4c3)cccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
20 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch2][Ring1][#C][C][C][C][C][C][C][O][C][=C][C][Branch1][C][Br][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Ring1][#C][=C][Ring2][Ring1][N][C][C][C][=Branch1][C][=O][O][C][C]",
"[O][B][Branch1][C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][O][C][=C][C][=C][C][Branch2][Ring2][=C][C][C][C][C][C][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][Branch1][S][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][O][C][O][Ring1][=Branch1][=C][Ring2][Ring1][#Branch1][=C][Ring2][Ring2][Ring2][C][C][C][=Branch1][C][=O][O][C][C]"
],
"smiles": [
"CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(Br)cc(OCc3ccccc3)c2)c1CCC(=O)OCC",
"OB(O)c1ccc2c(c1)OCO2",
"CCOC(=O)CCCOc1cccc(CCCCCCOc2cc(OCc3ccccc3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)OCC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
21 | {
"selfies": [
"[Br][C][C][Br]",
"[O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br]",
"[Br][C][C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br]"
],
"smiles": [
"BrCCBr",
"Oc1cc(Br)ccc1Br",
"BrCCOc1cc(Br)ccc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
22 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][O][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]",
"[C][N]",
"[C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CN",
"CNC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
23 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring2][#Branch2][C][=N][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=N][C][=Branch1][C][=O][N][Ring2][Ring1][C][C][O][C][C][Si][Branch1][C][C][Branch1][C][C][C][C][=Ring2][Ring1][#C]",
"[C][C][O][C][=Branch1][C][=O][C][C][=N][N][Branch2][Ring1][=C][C][=N][C][=C][C][=C][Branch1][#Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][=C][Ring1][=N][C][=Branch1][C][=O][NH1][Ring2][Ring1][C][C][=Ring2][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)c1cnn(-c2nc3ccc(-c4ccccc4C)cc3c(=O)n2COCC[Si](C)(C)C)c1",
"CCOC(=O)c1cnn(-c2nc3ccc(-c4ccccc4C)cc3c(=O)[nH]2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
24 | {
"selfies": [
"[O][=C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]"
],
"smiles": [
"O=C=Nc1ccccc1",
"OC1CN2CCC1CC2",
"O=C(Nc1ccccc1)OC1CN2CCC1CC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
25 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[O][=C][C][=C][Branch1][C][F][C][=C][C][=C][Ring1][#Branch1][Br]"
],
"smiles": [
"CN(C)C=O",
"Fc1cccc(Br)c1",
"O=Cc1c(F)cccc1Br"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
26 | {
"selfies": [
"[C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][NH1][C][=Ring1][#Branch2][C][=O]",
"[O][=C][C][C][=C][C][Branch1][C][I][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2]",
"[C][C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][=C][NH1][C][=Ring1][#Branch2][C][=C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][Ring1][O]"
],
"smiles": [
"Cc1c(CCC(=O)O)c[nH]c1C=O",
"O=C1Cc2cc(I)ccc2N1",
"Cc1c(CCC(=O)O)c[nH]c1C=C1C(=O)Nc2ccc(I)cc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
27 | {
"selfies": [
"[C][C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][Ring1][=C][=C][Ring2][Ring1][Ring1][N][Ring2][Ring1][=Branch1][Ring2][Ring1][#Branch2]",
"[C][C][C][O][C][C][=N][C][=C][Branch1][C][N][N][=C][C][=C][Branch1][C][O][C][=C][C][Ring1][#Branch1][=C][Ring1][N][N][Ring1][#C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CC1COCc2nc3c(N)nc4cc(OCc5ccccc5)ccc4c3n21",
"CC1COCc2nc3c(N)nc4cc(O)ccc4c3n21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
28 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][N]",
"[C][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][#Branch2]"
],
"smiles": [
"Cc1ccc([N+](=O)[O-])c(C(N)=O)c1",
"Cc1ccc(N)c(C(N)=O)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
29 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][Ring2][Ring1][Ring2][=Ring1][N][=N][Ring2][Ring1][=Branch2]",
"[C][C][O][C][=Branch1][C][=O][C][=C][O][C][Branch2][Ring1][S][C][=C][C][=C][Branch1][#Branch1][O][C][Branch1][C][F][F][C][O][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][=Ring1][#Branch2][=N][Ring2][Ring1][#Branch1]"
],
"smiles": [
"CCOC(=O)c1coc(-c2ccc(OC(F)F)c3oc4ccc([N+](=O)[O-])cc4c23)n1",
"CCOC(=O)c1coc(-c2ccc(OC(F)F)c3oc4ccc(N)cc4c23)n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
30 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]",
"[Cl][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][=N][O][C][=C][C][=N][C][Branch1][C][Cl][=N][Ring1][#Branch1][C][=C][C][=C][C][=C][Ring2][Ring1][C][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)Nc1ccc(O)c2ccccc12",
"Clc1ccnc(Cl)n1",
"CC(C)(C)OC(=O)Nc1ccc(Oc2ccnc(Cl)n2)c2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
31 | {
"selfies": [
"[C][C][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F][C][Branch1][C][N][=C][N][Branch1][Branch1][C][Ring1][S][=O][C][C][S][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][C][C][Ring1][Ring1]",
"[C][C][=C][Branch1][=C][N][C][=C][C][=C][Branch1][C][I][C][=C][Ring1][#Branch1][F][C][Branch1][=C][N][S][=Branch1][C][=O][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][N][Branch1][=Branch1][C][Ring2][Ring1][=Branch1][=O][C][C][S][Ring1][#Branch1]"
],
"smiles": [
"Cc1c(Nc2ccc(I)cc2F)c(N)c2n(c1=O)CCS2",
"O=S(=O)(Cl)C1CC1",
"Cc1c(Nc2ccc(I)cc2F)c(NS(=O)(=O)C2CC2)c2n(c1=O)CCS2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
32 | {
"selfies": [
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][N][=C][Branch1][=N][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][Branch1][C][Cl][=C][Ring1][#C]"
],
"smiles": [
"FC(F)(F)c1cnc(Cl)c(Cl)c1",
"Oc1ccc(Cl)cc1",
"FC(F)(F)c1cnc(Oc2ccc(Cl)cc2)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
33 | {
"selfies": [
"[C][C][C][Branch1][C][C][N]",
"[C][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][C][Branch1][C][C][N][C][=N][C][Branch1][C][Cl][=N][C][Branch1][C][C][=C][Ring1][Branch2][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CCC(C)N",
"Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]",
"CCC(C)Nc1nc(Cl)nc(C)c1[N+](=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
34 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][C][=C][Ring1][N]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][N][Branch1][S][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][=Branch2][C][C][Ring1][#C]"
],
"smiles": [
"CS(=O)(=O)Cl",
"O=[N+]([O-])c1ccc(N2CCNCC2)cc1",
"CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
35 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O]",
"[C][N][O][C]",
"[C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C]"
],
"smiles": [
"CC(C)CC(NC(=O)OC(C)(C)C)C(=O)O",
"CNOC",
"CON(C)C(=O)C(CC(C)C)NC(=O)OC(C)(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
36 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2]",
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][C][N][C][Branch1][C][N][=C][Ring1][Branch2]"
],
"smiles": [
"COC(=O)c1cnc(N)c([N+](=O)[O-])c1",
"COC(=O)c1cnc(N)c(N)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
37 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring1][C][=O][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][Ring1][#C]",
"[C][N]",
"[C][N][C][C][Branch1][N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Cl)cc2)CC1",
"CN",
"CNCC1(c2ccc(Cl)cc2)CCN(C(=O)OC(C)(C)C)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
38 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Ring1][Ring1][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1]",
"[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][Cl][=C][Ring1][=Branch2]",
"[C][C][=C][C][=C][C][Branch2][Ring2][Ring2][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][Ring2][C][C][C][Ring1][Ring1][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][P][=C][Ring2][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)NC1CC1c1ccc(N)cc1",
"Cc1cccc(C(=O)Cl)c1",
"Cc1cccc(C(=O)Nc2ccc(C3CC3NC(=O)OC(C)(C)C)cc2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
39 | {
"selfies": [
"[C][C][Branch2][Ring1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][N][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][Branch1][S][C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][S][Ring1][=C][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring2][Ring1][Branch2]",
"[C][C][Branch2][Ring1][=N][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][C][=Ring1][O][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][N][N][=C][Branch1][N][C][=C][C][=C][Branch1][Ring1][C][N][S][Ring1][#Branch1][C][=C][Branch1][C][N][N][=C][N][=C][Ring1][#Branch1][Ring1][P]"
],
"smiles": [
"CC(c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(CNC(=O)OC(C)(C)C)s2)c2c(N)ncnc21",
"CC(c1oc2ccccc2c(=O)c1-c1cccc(F)c1)n1nc(-c2ccc(CN)s2)c2c(N)ncnc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
40 | {
"selfies": [
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][S][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=N][Ring1][=Branch2][C][C][Ring1][#C][C][=C][Ring2][Ring1][Branch1]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][=Branch1][N][C][C][N][Branch1][N][C][=C][C][Branch1][C][N][=C][C][=N][Ring1][#Branch1][C][C][Ring1][=N][C][=C][Ring2][Ring1][Ring1]"
],
"smiles": [
"CS(=O)(=O)Nc1ccc(N2CCN(c3cc([N+](=O)[O-])ccn3)CC2)cc1",
"CS(=O)(=O)Nc1ccc(N2CCN(c3cc(N)ccn3)CC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
41 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][N][C][C][C][C][C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)CN1CCCCC1",
"O=C(O)CN1CCCCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
42 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=C][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=N][O][C][=Ring1][O][C][N][=C][Ring2][Ring1][Ring2]",
"[C][C][O][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Ring1][O][C][=C][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=N][Ring1][=Branch2]"
],
"smiles": [
"COC(=O)c1ccc(C=Cc2c(-c3ccccc3)noc2C)nc1",
"Cc1onc(-c2ccccc2)c1C=Cc1ccc(C(=O)O)cn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
43 | {
"selfies": [
"[C][C][C][N][Branch1][=N][C][C][C][C][C][C][C][N][C][C][Ring1][=Branch1][C][C][Ring1][S]",
"[C][C][S][C][=C][C][=Ring1][Branch1][N][Branch1][=Branch1][C][=Branch1][C][=O][Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][=C][=O]",
"[C][C][S][C][=C][C][=Ring1][Branch1][N][Branch2][Ring1][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=N][C][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][S][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring2][Ring1][=N][=O]"
],
"smiles": [
"C1CCN(CCCCC2CCNCC2)CC1",
"Cc1scc2c1N(C(=O)Cl)c1ccccc1NC2=O",
"Cc1scc2c1N(C(=O)N1CCC(CCCCN3CCCCC3)CC1)c1ccccc1NC2=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
44 | {
"selfies": [
"[C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring2][=Branch1][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Branch2][Ring1][Ring1][N][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][Ring1][C][Ring2][Ring1][O][=N][Ring2][Ring1][#C]",
"[C][O][C][=C][C][=C][N][=C][C][=C][Branch2][Ring2][C][N][C][=C][C][=Branch1][Ring2][=N][Ring1][Branch1][C][C][C][Branch1][S][N][C][C][C][C][=C][C][=C][Branch1][C][C][C][=C][Ring1][#Branch1][C][Ring2][Ring1][C][C][Ring2][Ring1][#Branch2][=N][Ring2][Ring1][=C]"
],
"smiles": [
"COc1ccc2nccc(-n3cc4c(n3)CCC(NC(=O)CCc3ccc(C)cc3)C4)c2n1",
"COc1ccc2nccc(-n3cc4c(n3)CCC(NCCCc3ccc(C)cc3)C4)c2n1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
45 | {
"selfies": [
"[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][N][=C][Ring1][=Branch2][O][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N]",
"[C][C][=C][C][Branch1][C][N][=C][N][=C][Ring1][#Branch1][O][C][=C][C][=N][C][Branch1][O][N][C][=Branch1][C][=O][C][C][C][Ring1][Ring1][=C][Ring1][N]"
],
"smiles": [
"Cc1cc([N+](=O)[O-])cnc1Oc1ccnc(NC(=O)C2CC2)c1",
"Cc1cc(N)cnc1Oc1ccnc(NC(=O)C2CC2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
46 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C]",
"[N][N]",
"[N][N][C][=Branch1][C][=O][C][C][C][C][Branch1][O][O][C][=N][C][=C][C][=C][Ring1][=Branch1][F][C][C][Ring1][=C]"
],
"smiles": [
"COC(=O)C1CCC(Oc2ncccc2F)CC1",
"NN",
"NNC(=O)C1CCC(Oc2ncccc2F)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
47 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][Ring2][C][Ring1][Branch1][C][Ring1][Ring2][N][C][=Branch1][C][=O][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]",
"[O][=C][Branch1][N][N][C][C][C][N][C][C][Ring1][Branch1][Ring1][=Branch1][O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=N]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CC2C(C1)C2NC(=O)OCC1c2ccccc2-c2ccccc21",
"O=C(NC1C2CNCC21)OCC1c2ccccc2-c2ccccc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
48 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][=Branch1][O][C][=C][C][=C][Branch1][O][C][=N][O][C][Branch1][C][C][=N][Ring1][=Branch1][N][=C][Ring1][N][=C][C][=C][Ring2][Ring1][Ring1][N+1][=Branch1][C][=O][O-1]",
"[C][C][=N][C][Branch2][Ring2][Ring2][C][=C][C][=C][Branch2][Ring1][Branch2][O][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][C][=N][Ring2][Ring1][Ring1][=N][O][Ring2][Ring1][Branch2]"
],
"smiles": [
"COC(=O)c1cc(Oc2ccc(-c3noc(C)n3)nc2)ccc1[N+](=O)[O-]",
"Cc1nc(-c2ccc(Oc3ccc([N+](=O)[O-])c(C(=O)O)c3)cn2)no1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
49 | {
"selfies": [
"[C][N][O][C]",
"[O][=C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][O][N][Branch1][C][C][C][=Branch1][C][=O][C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CNOC",
"O=C(O)c1ccncc1",
"CON(C)C(=O)c1ccncc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
50 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=Branch2][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1][N][C][C][=C][C][=C][Branch2][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][=N][N][Ring1][Branch1][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Branch2]"
],
"smiles": [
"COC(=O)c1cccc([N+](=O)[O-])c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccccc2)cc1",
"COC(=O)c1cccc(N)c1NCc1ccc(-c2ccccc2-c2nnnn2Cc2ccccc2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
51 | {
"selfies": [
"[O][C][C][N][C][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N]",
"[O][C][C][N][C][C][C][C][N][C][Ring1][Branch1]"
],
"smiles": [
"OCCNCC1CCN(Cc2ccccc2)C1",
"OCCNCC1CCNC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
52 | {
"selfies": [
"[C][I]",
"[C][O][C][N][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring1][O][C][O]",
"[C][O][C][C][=C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][O][C]"
],
"smiles": [
"CI",
"COCn1cc(-c2ccccc2)cc1CO",
"COCc1cc(-c2ccccc2)cn1COC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
53 | {
"selfies": [
"[C][C][O][C][C][N][C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Branch1][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring1][S]",
"[C][=C][C][=C][Branch1][Branch2][O][C][C][C][O][Ring1][Ring1][C][=C][Ring1][O]",
"[C][C][O][C][C][N][C][Branch2][Ring1][O][C][N][C][C][N][Branch1][S][C][C][Branch1][C][O][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][P][=N][C][=C][C][=C][N][=C][Ring1][=Branch1][Ring2][Ring1][O]"
],
"smiles": [
"CCOCCn1c(CN2CCNCC2)nc2cccnc21",
"c1ccc(OCC2CO2)cc1",
"CCOCCn1c(CN2CCN(CC(O)COc3ccccc3)CC2)nc2cccnc21"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
54 | {
"selfies": [
"[O][=N+1][Branch1][C][O-1][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2]",
"[N][C][=C][C][Branch1][C][Cl][=C][Branch1][C][F][C][Branch1][C][Cl][=C][Ring1][=Branch2]"
],
"smiles": [
"O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1",
"Nc1cc(Cl)c(F)c(Cl)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
55 | {
"selfies": [
"[C][=C][C][O][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][=Branch1][C][Branch1][C][C][=O][C][Branch1][Branch1][O][C][C][=C][=C][Ring2][Ring1][C]",
"[C][=C][C][O][C][=C][C][Branch1][Branch2][C][C][=Branch1][C][=O][O][C][=C][Branch1][Ring1][C][C][C][Branch1][Branch1][O][C][C][=C][=C][Ring1][P]"
],
"smiles": [
"C=CCOc1cc(CC(=O)OC)c(C(C)=O)c(OCC=C)c1",
"C=CCOc1cc(CC(=O)OC)c(CC)c(OCC=C)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
56 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][Cl]",
"[C][C][Branch1][C][O][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]",
"[C][C][Branch1][P][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch2][Ring1][Branch2][N][C][=C][C][=C][Branch1][Ring1][C][#N][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][N][C][=Branch1][C][=O][N][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)[Si](C)(C)Cl",
"CC(O)C(Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(C#N)cc1",
"CC(O[Si](C)(C)C(C)(C)C)C(Nc1ccc(C#N)c(C(F)(F)F)c1)C(=O)NNC(=O)c1ccc(C#N)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
57 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch1][#Branch1][C][C][Branch1][C][C][C][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F]",
"[C][C][Branch1][C][C][C][C][Branch2][Ring1][#Branch2][N][C][Branch1][#Branch2][C][=Branch1][C][=O][N][Branch1][C][C][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][F][C][=Branch1][C][=O][O]"
],
"smiles": [
"COC(=O)C(CC(C)C)NC(C(=O)N(C)C)c1ccc(F)cc1F",
"CC(C)CC(NC(C(=O)N(C)C)c1ccc(F)cc1F)C(=O)O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
58 | {
"selfies": [
"[C][O]",
"[C][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][#N][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"[C][O][C][=N][C][Branch1][C][C][=C][C][Branch1][C][C][=C][Ring1][Branch2][C][#N]"
],
"smiles": [
"CO",
"Cc1cc(C)c(C#N)c(Cl)n1",
"COc1nc(C)cc(C)c1C#N"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
59 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=N][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][=N][Ring1][#Branch2]",
"[N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][O][C][=N][O][C][=C][C][=C][Branch1][C][F][C][Branch1][=Branch1][C][Branch1][C][N][=O][=C][Ring1][=N][Ring1][#Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)NCCOc1noc2ccc(F)c(C(=O)O)c12",
"N",
"CC(C)(C)OC(=O)NCCOc1noc2ccc(F)c(C(N)=O)c12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
60 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][O][C][Ring1][#C][Branch1][C][C][C]",
"[N][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1][C][=N][Ring1][S]",
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][=C][C][=C][C][=C][Branch2][Ring1][Ring1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][N][=C][Ring1][#Branch1][N][=C][Ring1][S][O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C]"
],
"smiles": [
"CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C",
"Nc1ccc(S(=O)(=O)c2ccc(Br)cn2)cn1",
"CC1(C)OB(c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2)OC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
61 | {
"selfies": [
"[C][Si][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][=C][Ring1][=N]",
"[C][Si][Branch1][C][C][Branch1][C][C][C][=C][C][Branch1][C][N][=C][C][Branch1][=Branch2][Si][Branch1][C][C][Branch1][C][C][C][=C][Ring1][O]"
],
"smiles": [
"C[Si](C)(C)c1cc([N+](=O)[O-])cc([Si](C)(C)C)c1",
"C[Si](C)(C)c1cc(N)cc([Si](C)(C)C)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
62 | {
"selfies": [
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][Ring2][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2][O][C][Ring1][#C][Branch1][C][C][C]",
"[N][C][=N][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][O][B][Branch2][Ring1][O][C][=C][N][=C][Branch1][C][N][C][Branch1][=C][C][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][=Branch2][=C][Ring1][S][O][C][Ring2][Ring1][=Branch1][Branch1][C][C][C]"
],
"smiles": [
"CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C",
"Nc1ncc(Br)cc1-c1nc2ccccc2o1",
"CC1(C)OB(c2cnc(N)c(-c3nc4ccccc4o3)c2)OC1(C)C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
63 | {
"selfies": [
"[C][N][C][=C][Branch2][Ring2][Branch1][C][=C][N][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][C][=Branch1][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2][C][=O][C][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][=N][Ring1][S][C][Ring2][Ring2][=N][=O]",
"[C][N][C][=C][Branch2][Ring2][Branch1][C][=C][N][=C][C][Branch2][Ring1][#Branch1][N][C][C][N][C][=Branch1][N][=C][C][=C][Ring1][Branch1][C][C][C][C][Ring1][=Branch1][C][Ring1][=N][=O][=C][Ring2][Ring1][Ring2][C][O][C][=C][Branch2][Ring1][N][N][C][=C][C][=C][Branch1][P][N][C][C][N][Branch1][#Branch1][C][C][O][C][Ring1][Ring2][C][C][Ring1][#Branch2][C][=N][Ring1][S][C][Ring2][Ring2][=N][=O]"
],
"smiles": [
"Cn1cc(-c2cncc(N3CCn4c(cc5c4CCCC5)C3=O)c2C=O)cc(Nc2ccc(N3CCN(C4COC4)CC3)cn2)c1=O",
"Cn1cc(-c2cncc(N3CCn4c(cc5c4CCCC5)C3=O)c2CO)cc(Nc2ccc(N3CCN(C4COC4)CC3)cn2)c1=O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
64 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][Cl]",
"[O][=C][Branch1][C][O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][Cl]"
],
"smiles": [
"COC(=O)c1cc2cc[nH]c2cc1Cl",
"O=C(O)c1cc2cc[nH]c2cc1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
65 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][=C][C][Branch2][Ring1][O][O][C][=C][C][=C][N][=C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][O][S][C][Ring1][=N][=C][Ring1][P][=C][C][=N][Ring2][Ring1][Branch2]",
"[O][=C][Branch1][C][O][C][=C][C][Branch2][Ring1][O][O][C][=C][C][=C][N][=C][Branch1][O][N][C][C][C][C][C][C][Ring1][=Branch1][O][S][C][Ring1][=N][=C][Ring1][P][=C][C][=N][Ring2][Ring1][Branch2]"
],
"smiles": [
"CC(C)(C)OC(=O)c1cc(Oc2ccc3nc(NC4CCCCC4O)sc3c2)ccn1",
"O=C(O)c1cc(Oc2ccc3nc(NC4CCCCC4O)sc3c2)ccn1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
66 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=Branch1][C][=O][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F]"
],
"smiles": [
"CC(=O)c1cc(F)ccc1O",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"CC(=O)c1cc(F)ccc1OS(=O)(=O)C(F)(F)F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
67 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][Cl]",
"[N][C][=C][C][=C][N][=C][N][=C][Branch1][C][N][C][Ring1][#Branch1][=C][Ring1][O]",
"[C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][=C][N][=C][N][=C][Branch1][C][N][C][Ring1][#Branch1][=C][Ring1][O]"
],
"smiles": [
"CC(C)(C)CC(=O)Cl",
"Nc1ccc2ncnc(N)c2c1",
"CC(C)(C)CC(=O)Nc1ccc2ncnc(N)c2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
68 | {
"selfies": [
"[C][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][C][N][Branch2][Ring2][=Branch1][C][=C][C][=N][C][=C][Ring1][=Branch1][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][Ring2][Ring2][Ring1][O]"
],
"smiles": [
"CC1CN(c2ccncc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C1O[Si](C)(C)C(C)(C)C",
"CC1CN(c2ccncc2N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(NC(=O)OC(C)(C)C)C1O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
69 | {
"selfies": [
"[C][C][O][C][C][N][Ring1][=Branch1]",
"[C][N][N][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][Branch2][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][S][C][Ring1][=N]",
"[C][N][N][=C][Branch1][=N][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][C][=C][Ring1][=N][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][=C][Ring1][=Branch2][S][C][Ring1][=N]"
],
"smiles": [
"C1COCCN1",
"Cn1nc(C(=O)O)c2c1-c1cc([N+](=O)[O-])ccc1SC2",
"Cn1nc(C(=O)N2CCOCC2)c2c1-c1cc([N+](=O)[O-])ccc1SC2"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
70 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][=C][Ring1][N]",
"[O][C][=C][C][=C][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][=C][Ring1][N]"
],
"smiles": [
"COc1ccc(-c2nsnc2Cl)cc1",
"Oc1ccc(-c2nsnc2Cl)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
71 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][Ring1][=Branch2]",
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][=C][C][=Branch1][C][=O][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1",
"Nc1ccccc1",
"CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccccc2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
72 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[O][C][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CCOC(=O)C(F)(F)c1ccncc1",
"OCC(F)(F)c1ccncc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
73 | {
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[O][=C][C][C][C][C][Ring1][Branch1]",
"[N][#C][C][=C][C][=C][Branch1][O][C][Branch1][C][O][C][C][C][C][Ring1][=Branch1][C][=C][Ring1][N]"
],
"smiles": [
"N#Cc1ccc(Br)cc1",
"O=C1CCCC1",
"N#Cc1ccc(C2(O)CCCC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
74 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N][C][=C][Branch1][C][N][C][=N][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1]",
"[C][C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][O][C][C][O][Ring1][#Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][N][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][C][C][Branch1][C][C][O][C][C][O][Ring1][=Branch1][C][=N][C][=C][C][=C][C][=C][Ring2][Ring1][Branch1][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)NNc1c(N)cnc2ccccc12",
"CC1(CCC(=O)O)OCCO1",
"CC(C)(C)OC(=O)NNc1c(NC(=O)CCC2(C)OCCO2)cnc2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
75 | {
"selfies": [
"[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][O][=C][Ring1][Branch2][F]",
"[N][#C][C][=C][C][Branch1][C][Cl][=N][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][P][O][C][=C][C][Branch1][Ring1][C][#N][=C][C][Branch1][C][Cl][=N][Ring1][=Branch2][=C][Ring1][P][F]"
],
"smiles": [
"Cc1ccc(Cl)c(O)c1F",
"N#Cc1cc(Cl)nc(Cl)c1",
"Cc1ccc(Cl)c(Oc2cc(C#N)cc(Cl)n2)c1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
76 | {
"selfies": [
"[C][C][O][C][Branch1][P][C][O][C][=C][N][=C][Branch1][C][Cl][C][Branch1][C][Cl][=C][Ring1][Branch2][O][C][C]",
"[C][O][C][=C][C][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][=N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][O][Ring1][#Branch1][S][C][Ring1][P][=N][Ring2][Ring1][Branch1]",
"[C][C][O][C][Branch2][Branch1][Branch2][C][O][C][=C][N][=C][Branch2][Ring2][#Branch1][O][C][=C][C][=C][N][=C][N][=C][Branch2][Ring1][Ring1][N][C][=N][C][=C][C][=C][Branch1][Ring1][O][C][N][=C][Ring1][Branch2][S][Ring1][O][C][Ring2][Ring1][C][=C][Ring2][Ring1][=Branch1][C][Branch1][C][Cl][=C][Ring2][Ring1][=C][O][C][C]"
],
"smiles": [
"CCOC(COc1cnc(Cl)c(Cl)c1)OCC",
"COc1ccc2nc(Nc3ncnc4ccc(O)cc34)sc2n1",
"CCOC(COc1cnc(Oc2ccc3ncnc(Nc4nc5ccc(OC)nc5s4)c3c2)c(Cl)c1)OCC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
77 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][C][Cl][N][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][C][N][Branch1][N][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][=Branch2][N][C][C][C][N][Branch1][=C][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=N][N][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(N)CC1",
"CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)nc1",
"CC(C)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(NC2CCN(C(=O)OC(C)(C)C)CC2)nc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
78 | {
"selfies": [
"[Br][P][Branch1][C][Br][Br]",
"[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][O][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2]",
"[C][O][C][=C][C][=C][Branch2][Ring1][#Branch1][C][N][N][=N][C][Branch1][=N][C][=C][C][=C][C][Branch1][Ring1][C][Br][=C][Ring1][Branch2][=N][Ring1][=N][C][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"BrP(Br)Br",
"COc1ccc(Cn2nnc(-c3cccc(CO)c3)n2)cc1",
"COc1ccc(Cn2nnc(-c3cccc(CBr)c3)n2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
79 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][S][C][Branch2][Ring1][=C][N][C][C][N][Branch2][Ring1][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Ring1][#C][=O][=C][C][=Ring2][Ring1][Branch1][C]",
"[C][C][O][C][=Branch1][C][=O][C][S][C][Branch1][=C][N][C][C][N][Branch1][Ring2][C][C][O][C][Ring1][Branch2][=O][=C][C][=Ring1][=C][C]"
],
"smiles": [
"CCOC(=O)c1sc(N2CCN(CCO[Si](C)(C)C(C)(C)C)C2=O)cc1C",
"CCOC(=O)c1sc(N2CCN(CCO)C2=O)cc1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
80 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring1][O][P][=Branch1][C][=S][S][P][=Branch1][C][=S][Branch1][=N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][S][Ring1][=C][C][=C][Ring2][Ring1][Ring2]",
"[N][#C][C][C][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1]",
"[N][#C][C][C][=Branch1][C][=S][N][C][C][O][C][C][Ring1][=Branch1]"
],
"smiles": [
"COc1ccc(P2(=S)SP(=S)(c3ccc(OC)cc3)S2)cc1",
"N#CCC(=O)N1CCOCC1",
"N#CCC(=S)N1CCOCC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
81 | {
"selfies": [
"[C][O][C][=C][C][=C][C][=C][Branch1][#Branch2][C][Branch1][C][C][C][=Branch1][C][=O][O][C][=C][C][Ring1][O][=C][Ring1][#C]",
"[O][C][C][O][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][#Branch2]",
"[C][O][C][=C][C][=C][C][=C][Branch2][Ring1][O][C][Branch1][C][C][C][=Branch1][C][=O][O][C][C][O][C][=C][C][=C][Branch1][Branch1][O][C][C][O][C][=C][Ring1][#Branch2][C][=C][C][Ring2][Ring1][Branch2][=C][Ring2][Ring1][N]"
],
"smiles": [
"COc1ccc2cc(C(C)C(=O)O)ccc2c1",
"OCCOc1ccc(OCCO)cc1",
"COc1ccc2cc(C(C)C(=O)OCCOc3ccc(OCCO)cc3)ccc2c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
82 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring1][S][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F]",
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][N][C][=C][C][Branch1][C][N][=C][C][Ring1][#Branch1][=O]",
"[C][C][Branch1][C][C][Branch1][C][C][C][C][N][C][Branch2][Ring2][=Branch1][C][=Branch1][C][=O][N][C][C][=C][N][Branch2][Ring1][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=Branch1][C][=O][C][=Ring1][P][C][Branch1][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][F][C][Ring2][Ring1][P][Branch1][Ring1][C][#N][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][F]"
],
"smiles": [
"CC(C)(C)CC1NC(C(=O)O)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F",
"CC(C)(C)[Si](C)(C)OCCn1ccc(N)cc1=O",
"CC(C)(C)CC1NC(C(=O)Nc2ccn(CCO[Si](C)(C)C(C)(C)C)c(=O)c2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
83 | {
"selfies": [
"[O][=C][O][C][Branch1][Branch1][C][C][C][Cl][C][N][Ring1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][=C][N][=C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][N][=C][Ring1][N]",
"[O][=C][O][C][Branch2][Ring1][=Branch1][C][C][C][N][C][C][N][Branch1][=Branch2][C][=N][C][=C][C][=N][Ring1][=Branch1][C][C][Ring1][N][C][N][Ring2][Ring1][Ring2][C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"O=C1OC(CCCCl)CN1c1ccccc1",
"c1cnc(N2CCNCC2)nc1",
"O=C1OC(CCCN2CCN(c3ncccn3)CC2)CN1c1ccccc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
84 | {
"selfies": [
"[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][O]",
"[O][=C][=N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]",
"[O][=C][Branch2][Ring1][#C][N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][S][O][N][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][Cl]"
],
"smiles": [
"Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1O",
"O=C=Nc1cccc(Cl)c1Cl",
"O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1O)Nc1cccc(Cl)c1Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
85 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][Br][=C][Ring1][=N]",
"[C][C][=C][C][Branch1][=Branch1][B][Branch1][C][O][O][=C][C][=C][Ring1][=Branch2][Cl]",
"[C][O][C][=Branch1][C][=O][C][=C][N][=C][Branch1][O][O][C][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][#C][C][=C][C][=C][Branch1][C][Cl][C][Branch1][C][C][=C][Ring1][Branch2][=C][Ring2][Ring1][Ring2]"
],
"smiles": [
"COC(=O)c1cnc(OCC(F)(F)F)c(Br)c1",
"Cc1cc(B(O)O)ccc1Cl",
"COC(=O)c1cnc(OCC(F)(F)F)c(-c2ccc(Cl)c(C)c2)c1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
86 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[N][O]",
"[C][C][=Branch1][Ring1][=N][O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]"
],
"smiles": [
"CC(=O)c1cccc2ccccc12",
"NO",
"CC(=NO)c1cccc2ccccc12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
87 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Branch2][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][P][=C][Ring2][Ring1][N][C]",
"[C][C][=C][Branch1][#Branch1][C][C][=Branch1][C][=O][O][C][=C][C][=C][C][Branch1][C][F][=C][C][Ring1][#Branch1][=C][Ring1][#C][C][C][C][N][Branch2][Ring1][Ring2][S][=Branch1][C][=O][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Cl][=C][Ring1][#Branch1][C][C][Ring1][P]"
],
"smiles": [
"COC(=O)Cc1cc2ccc(F)cc2c(C2CCN(S(=O)(=O)Cc3cccc(Cl)c3)CC2)c1C",
"Cc1c(CC(=O)O)cc2ccc(F)cc2c1C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
88 | {
"selfies": [
"[F][C][=C][Branch1][P][N][C][C][C][Branch1][Branch1][C][C][Ring1][=Branch1][O][C][C][O][Ring1][#Branch1][C][=C][C][=C][C][=C][N][=C][Ring2][Ring1][Ring2][Ring1][=Branch1]",
"[O][=C][C][C][N][Branch1][S][C][=C][C][=C][C][=C][C][=N][C][Ring1][=Branch1][=C][Ring1][#Branch2][F][C][C][Ring1][P]"
],
"smiles": [
"Fc1c(N2CCC3(CC2)OCCO3)ccc2cccnc12",
"O=C1CCN(c2ccc3cccnc3c2F)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
89 | {
"selfies": [
"[C][N][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]",
"[O][=C][Branch1][C][Cl][C][C][C][O][C][C][Ring1][=Branch1]",
"[C][N][Branch1][=N][C][=Branch1][C][=O][C][C][C][O][C][C][Ring1][=Branch1][C][=C][C][=C][Branch2][Ring1][S][S][=Branch1][C][=O][=Branch1][C][=O][N][C][C][C][Branch1][#C][N][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][C][C][C][Ring1][=C][C][=C][Ring2][Ring1][#Branch1]"
],
"smiles": [
"CNc1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1",
"O=C(Cl)C1CCOCC1",
"CN(C(=O)C1CCOCC1)c1ccc(S(=O)(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
90 | {
"selfies": [
"[C][C][=Branch1][C][=O][N][C][C][Branch1][C][O][C][C][N][Branch1][C][C][C][C][Ring1][Branch2]",
"[C][C][N][C][C][Branch1][C][O][C][C][N][Branch1][C][C][C][C][Ring1][Branch2]"
],
"smiles": [
"CC(=O)NCC1(O)CCN(C)CC1",
"CCNCC1(O)CCN(C)CC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
91 | {
"selfies": [
"[C][I]",
"[O][=C][Branch1][C][O][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F]",
"[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][Br][C][=C][C][Branch1][C][F][=C][Ring1][Branch2][F]"
],
"smiles": [
"CI",
"O=C(O)c1c(Br)ccc(F)c1F",
"COC(=O)c1c(Br)ccc(F)c1F"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
92 | {
"selfies": [
"[C][C][=C][C][=C][Branch2][Ring1][#Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][O][Ring1][#Branch2][C][=C][Ring2][Ring1][Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][=C][C][=C][Branch2][Ring2][=Branch2][S][=Branch1][C][=O][=Branch1][C][=O][O][C][C][C][C][=C][C][=C][Branch1][P][O][S][=Branch1][C][=O][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][=C][O][Ring1][P][C][=C][Ring2][Ring1][N]"
],
"smiles": [
"Cc1ccc(S(=O)(=O)OCC2Cc3ccc(O)cc3O2)cc1",
"O=S(=O)(OS(=O)(=O)C(F)(F)F)C(F)(F)F",
"Cc1ccc(S(=O)(=O)OCC2Cc3ccc(OS(=O)(=O)C(F)(F)F)cc3O2)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
93 | {
"selfies": [
"[C][C][O]",
"[O][=C][Branch1][C][O][C][=C][C][Branch1][C][F][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring1][#Branch2][F]",
"[C][C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][F][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CCO",
"O=C(O)c1cc(F)c([N+](=O)[O-])cc1F",
"CCOc1cc(C(=O)O)c(F)cc1[N+](=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
94 | {
"selfies": [
"[C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][#C][C][N][C][C][Branch1][C][C][Branch1][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][Branch1][C][C][C][=C][Ring2][Ring2][Branch2][Ring2][Ring1][#C]",
"[C][C][=N][N][Branch1][=Branch2][C][C][C][C][C][O][Ring1][=Branch1][C][=N][C][Branch1][N][C][=C][C][=C][Branch1][C][O][C][=C][Ring1][#Branch1][=C][C][Branch2][Ring1][Ring2][C][N][C][C][Branch1][C][C][Branch1][C][C][N][C][C][Ring1][Branch2][Branch1][C][C][C][=C][Ring2][Ring1][P][Ring2][Ring1][Branch2]"
],
"smiles": [
"Cc1nn(C2CCCCO2)c2nc(-c3ccc(O)cc3)cc(CN3CC(C)(C)N(Cc4ccccc4)CC3(C)C)c12",
"Cc1nn(C2CCCCO2)c2nc(-c3ccc(O)cc3)cc(CN3CC(C)(C)NCC3(C)C)c12"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
95 | {
"selfies": [
"[C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=C][C][=C][Branch1][=Branch1][C][C][N][=N+1][=N-1][C][=C][Ring1][O]",
"[C][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][N][Ring1][O][C][=C][C][=C][Branch1][Ring2][C][C][N][C][=C][Ring1][=Branch2]"
],
"smiles": [
"CCc1nc(-c2ccccc2)cn1-c1ccc(CCN=[N+]=[N-])cc1",
"CCc1nc(-c2ccccc2)cn1-c1ccc(CCN)cc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
96 | {
"selfies": [
"[C][C][I]",
"[C][C][C][=C][N][=C][Branch1][Ring1][C][C][C][Branch2][Ring1][#Branch2][N][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][O][=N][Ring2][Ring1][=Branch2]",
"[C][C][O][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][#C][N][C][=N][C][Branch1][Ring1][C][C][=C][N][=C][Ring1][Branch2][C][C]"
],
"smiles": [
"CCI",
"CCc1cnc(CC)c(NC2CN(C(=O)OCc3ccccc3)CC2O)n1",
"CCOC1CN(C(=O)OCc2ccccc2)CC1Nc1nc(CC)cnc1CC"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
97 | {
"selfies": [
"[C][C][N][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]",
"[O][=C][C][=C][C][=C][C][=C][Branch1][=Branch1][O][C][C][C][Br][C][=C][Ring1][O][O][Ring1][#C]",
"[C][C][N][Branch2][Ring1][=Branch1][C][C][C][O][C][=C][C][=C][C][=C][C][=Branch1][C][=O][O][C][Ring1][#Branch1][=C][Ring1][O][C][C][C][O][C][=C][C][=C][C][=C][Ring1][=Branch1][O][Ring1][#Branch2]"
],
"smiles": [
"CCNCC1COc2ccccc2O1",
"O=c1ccc2ccc(OCCCBr)cc2o1",
"CCN(CCCOc1ccc2ccc(=O)oc2c1)CC1COc2ccccc2O1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
98 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][=C][C]",
"[C][O][C][=Branch1][C][=O][C][=C][Branch1][C][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][=C][Ring1][O][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"COC(=O)c1cc(C)c(C(=O)OC)c([N+](=O)[O-])c1C",
"COC(=O)c1c(C)cc(C(=O)O)c(C)c1[N+](=O)[O-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... | |
99 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][N]",
"[C][C][C][N][Branch2][Ring1][Ring2][C][=Branch1][C][=O][C][O][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=O][C][Branch1][C][C][C][N][Ring2][Ring1][Ring2][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][N][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][O][C][C][=Branch1][C][=O][N][C][C][Branch1][C][C][N][Branch1][=N][C][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][C][Ring1][#C][C]"
],
"smiles": [
"COC(=O)CCN",
"CC1CN(C(=O)COc2ccc(Cl)cc2C=O)C(C)CN1Cc1ccc(F)cc1",
"COC(=O)CCNCc1cc(Cl)ccc1OCC(=O)N1CC(C)N(Cc2ccc(F)cc2)CC1C"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the possible reagents of the reaction. The reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the structure representation of the reagents molecule. We... |
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