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]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"O=Cc1cc([N+](=O)[O-])c(F)cc1F",
"C1CCOC1",
"Cl",
"[BH4-]",
"[Na+]"
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
1 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Ring1][N]",
"[C][O]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)CCC1CCCCCCCCCCC1",
"CO",
"O",
"[Na+]",
"[OH-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][O][C][Ring1][Branch1]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1ccc(OCC(F)(F)C(F)F)cn1",
"C1CCOC1",
"O",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][Branch1][Ring1][C][C][C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][Branch1][C][C][=O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"C=CCBr",
"CCOc1ccc(Cc2c... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][=C][C][Bran... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[Cl]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"CCOCc1nc2c(N)nc3ccc... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
7 | {
"selfies": [
"[C][=C][C][Br]",
"[O][C][C][C][C][C][O]",
"[C][C][C][C][C][Branch1][C][O][O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"smiles": [
"C=CCBr",
"OCCCCCO",
"CCCCC(O)O",
"CCOC(C)=O",
"CN(C)C=O",
"[H-]",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][#N]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][=... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl][C][Cl]",
"[O]"
],
"smiles": [
"COCC(=O)Cl",
"Nc1cc([N+](=O)[O-])ccc1F",
"CCN(CC)CC",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[Cl][C][Cl]"
],
"smiles": [
"CN1CCC(c2c[nH]c3ccc(N)cc23)CC1",
"COC(=O)Cl",
"ClCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][=Br... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][=C][C][=C][C][=C][Ring1][=B... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Pd]"
],
"smiles"... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
21 | {
"selfies": [
"[Br][C][C][Br]",
"[O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][Br]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"BrCCBr",
"Oc1cc(Br)ccc1Br",
"[Na+]",
"[OH-]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"CC(C)(C)OC(=O)OC(=O)OC(C)(C)C",
"CN",
"C1CCOC1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]",
"[C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O-1]",
"[C][C][C][C][Sn+2][C][C][C][C]",
"[C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
25 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[F][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][N][C][Branch1][C][C][C]",
"[Li][C][C][C][C]"
],
"smiles": [
"CN(C)C=O",
"Fc1cccc(Br)c1",
"C1CCOC1",
"CC(C)NC(C)C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][C][C][Ring1][=Branch1]",
"[C][C][O]"
],
"smiles": [
"Cc1c(CCC(=O)O)c[nH]c1C=O",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[Pd]"
],
"smiles": [
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Pd]"
],
"smiles": [
"Cc1ccc([N+](=O)[O-])c(C(N)=O)c1",
"C",
"CO",
"[Pd]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][=N][C][C][C][N][Ring1][=Branch1][C][C][Ring1][O]",
"[C][C][#N]"
],... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][S][Branch1][C][C][=O]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O]"
],
"smiles": [
"CCC(C)N",
"Cc1nc(Cl)nc(Cl)c1[N+](=O)[O-]",
"CCN(CC)CC",
"CCO"
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O-1][O]",
"[Na+1]"
],
"smiles": [
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][N][C][C][O][C][C][Ring1][=Branch1]",
"[Cl]",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Pd]"
],
"smiles": [
"COC(=O)c1cnc(N)c([N+](=O)[O-])c1",
"C1CCOC1",
"CO",
"[Pd]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"CC(C)(C)OC(=O)N1CCC(C=O)(c2ccc(Cl)c... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][#N]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[H][H]",
"[Pd]"
],
"smiles": [... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
41 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][N][C][C][C][C][C][Ring1][=Branch1]",
"[Cl]"
],
"smiles": [
"CCOC(=O)CN1CCCCC1",
"Cl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][Ring1][Branch1]",
"[C][O]",
"[Cl]",
"[O]",
"[O]",
"[Li+1]",
"[O... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O][C][Branch1][C][C][=O]"
],
"smiles": [
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Cl][C][Cl]"
],
"smiles": [
"Cc1cc([N+](=O)[O-])cnc1Oc1ccnc(NC(=O)C2CC2)c1",
"CO",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][C][O]",
"[O]"
],
"smiles": [
"COC(=O)C1CCC(Oc2ncccc2F)CC1",
"NN",
"CCCCO",
"O"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O-1][O]",... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][Ring1][Branch1]",
"[C][O]",
"[O][=C][Branch1][C][O... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
49 | {
"selfies": [
"[C][N][O][C]",
"[O][=C][Branch1][C][O][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[Cl]",
"[Cl][C][Cl]",
"[O][=C][Branch1][Branch2][N][C][=C][N][=C][Ring1][Branch1][N][C][=C][N][=C][Ring1][Branch1]",
"[O][=C][=O]"
],
"smiles": [
"CNOC",
"O=C(O)c1ccncc1",
"Cl",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][O]",
"[H][H]",
"[Pd]"
],
"smiles": [
"OCCNCC1CCN(Cc2ccccc2)C1",
"CO",
"[H][H]",
"[Pd]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][O][C][Ring1][Branch1]",
"[Cl-1]",
"[H-1]",
"[NH4+1]",
"[Na+1]"
],
"smiles": [
"CI",
"COCn1cc(-c2ccccc2)cc1CO",
"C1CCOC1",
"[Cl-]",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][Branch1][C][C][O]"
],
"smiles": [
"CCOCCn1c(CN2CCNCC2)nc2cc... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][O]",
"[O]",
"[O][=C][O-1]",
"[NH4+1]",
"[Zn]"
],
"smiles": [
"O=[N+]([O-])c1cc(Cl)c(F)c(Cl)c1",
"CO",
"O",
"O=C[O-]",
"[NH4+]",
"[Z... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][SiH1][Branch1][Ring1][C][C][C][C]",
"[O][=C][Branch1][C][O][C][Branch1][C][F][Branch1][C][F][F]",
"[O][=C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[O]",
"[Li+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)C(CC(C)C)NC(C(=O)... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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-1]",
"[Na+1]"
],
"smiles": [
"CO",
"Cc1cc(C)c(C#N)c(Cl)n1",
"C[O-]",
"[Na+]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][C][O][C][=Branch1][C][=O][Cl]",... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[Pd]",
"[C][=C][C][=C][C][=C][Ring1][=Branch1]"
],
"smiles": [
"C[Si](C)(C)c1cc([N+](=O)[O-])cc([Si](C)(C)C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][#Branc... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
64 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][C][=C][NH1][C][=Ring1][Branch1][C][=C][Ring1][=Branch2][Cl]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Li+1]",
"[Na+1]",
"[OH1-1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc2cc[nH]c2cc1Cl",
"C1CCOC1",
"[Li+]",
"[Na+]",
"[OH-]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][#N]",
"[Cl]"
],
"smiles": [
"CC(C)(C)OC(=... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O][C][C]",
"[C][=C][C][=N][C][=C][Ring1][=Br... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][N][Branch1][Ring2][C][C][C][C][C][C]",
"[C][O]",
"[C][O]",
"[Cl]",
"[Cl][C][Branch1][C][Cl][Cl]",
"[Cl][C][Br... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][Rin... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][O][C][Ring1][Branch1]",
"[C][C][C][P][=Branch1][C][=O]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
70 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch1][=Branch2][C][=N][S][N][=C][Ring1][Branch1][Cl][C][=C][Ring1][N]",
"[Br][B][Branch1][C][Br][Br]",
"[Cl][C][Cl]"
],
"smiles": [
"COc1ccc(-c2nsnc2Cl)cc1",
"BrB(Br)Br",
"ClCCl"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][Ring1][Branch1]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[O]",
"[O][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
72 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][Branch1][C][F][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][C][O]",
"[BH4-1]",
"[Na+1]"
],
"smiles": [
"CCOC(=O)C(F)(F)c1ccncc1",
"CCO",
"[BH4-]",
"[Na+]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
73 | {
"selfies": [
"[N][#C][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1]",
"[O][=C][C][C][C][C][Ring1][Branch1]",
"[Br][Br]",
"[C][C][Branch1][C][C][Mg][Cl]",
"[Cl-1]",
"[Li+1]",
"[Mg]"
],
"smiles": [
"N#Cc1ccc(Br)cc1",
"O=C1CCCC1",
"BrBr",
"CC(C)[Mg]Cl",
"[Cl-... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O][C][Ring1][Branch1]",
"[C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][C][C][O][Ring2][Ring1][C]",
"[C][C][Branch1... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][#Branch... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[Cl][C][Cl]"
],
"smiles": [
"BrP(Br)Br",
"COc1ccc(Cn2nnc(-c3cccc(C... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][=Branch1][C][=O][O]"
],
"smiles": [
"CCOC(=O)c1sc(N... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][O][C][Ring1... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][N][=C][=N][C][C][C][N][Branc... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][C][O]",
"[Cl]",
"[Cl]",
"[O][=C][Branch1][C][O-1][O-1]",
"[I-1]",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[N][C][Branch1][C][N][=O]"
],
"smiles": [
"Nc1ccc(Cl)c(S(=O)(=O)N2CC... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
86 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1]",
"[N][O]",
"[Cl]",
"[C][=C][C][=N][C][=C][Ring1][=Branch1]"
],
"smiles": [
"CC(=O)c1cccc2ccccc12",
"NO",
"Cl",
"c1ccncc1"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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]",
"[C][C][C][O][C][Ring1][Branch1]",
"[Cl]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"Fc1c(N2CCC3(CC2)OCCO3)... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][C][O][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][Ring1][Branch1]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]"
],
"smiles": [
"CC(=O)NCC1(O)CCN(C)CC1",
"C1CCOC1",
"[Al+3]",
"[... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][Branch1][C][C][C][=O]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[K+1]",
"[K+1]"
],
"smiles": [
"CI",
"O=C(O)c1c(Br)ccc(F)c1F",
"CN(C)C=O",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][Branch1][C][C][C][=O]",
"[Cl]",
"[O]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Cs+1]",
"[Cs+1]"
],
"smiles": [
"CCO",
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][Branch... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][O]",
"[Pd]"
],
"smiles": [
"CCc1nc(-c2ccccc2)cn1-c1ccc(CCN=[N+]=[N-])cc1",
"CO",
"[Pd]"
]
} | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][N][Branch1][C][C][C][=O]",
"[H-1]",
"[Na+1]"
],
"... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=O]"
... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][O][C][C][O][Ring1][=Branch1]",
"[O]",
"[Na+1]",
"[OH1-1]"
],
"smiles": [
"COC(=O)c1cc(C)c(C(=O)O... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... | |
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][C][=Branch1][C][=O][... | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the product 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 product molecule. We provide th... |
End of preview. Expand in Data Studio
Forward Reaction Prediction Dataset (derived from MolInstruct)
- molecule representation format: 1D SMILES
- will further encode into 2D graph features
- We use scaffold splitting to reconstruct the train-split. We use SMolInstruct FS train split as the sample pool.
For Detail, refer to PRESTO: Progressive Pretraining Enhances Synthetic Chemistry Outcomes: https://arxiv.org/pdf/2406.13193
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