id int64 0 360k | molecules dict | ground_truth stringclasses 1k
values | messages listlengths 3 3 |
|---|---|---|---|
0 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][O]",
"[C][C][C][C][C][C][C][C][C][=C][C][C][C][C][C][C][C][C][=Branch1][C][=O][N][Branch1][#C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][Bra... | 645 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
1 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][C][O][C][=C][C][=C][Branch2][Ring2][O][C][N][C][=C][C][=C][Branch1][Ring1][O][C][C][=C][Ring1][Branch2][C][O][C][=C][C][Branch1][O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][C][=C][Ring1][=C][C][=Ring1][P][Ring2][Ring1][#Branch2][C][=C][Ring2][Ring1][P]",
... | 23 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
2 | {
"selfies": [
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[C][C][C][C][C][C][Branch1][C][C][N][Ring1][#Branch1][C][=N][N][=C][C][=C][C][Branch2][Branch1][=Branch2][O][C][C][C][C][Branch2][Ring2][=Branch1][N][C][=Branch1][C][=O... | 0 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
3 | {
"selfies": [
"[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][=N][Ring1][=Branch1]",
"[C][C][=C][C][=C][C][Branch1][C][C][=N][Ring1][#Branch1]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[O][=C][C][C][C][Branch2... | 795 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
4 | {
"selfies": [
"[C][C][O][C][Branch1][C][C][=O]",
"[C][O]",
"[C][O][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Branch1][C][Cl][C][=C][Ring1][#Branch2][Br]",
"[C][Si][Branch1][C][C][Branch1][C][C][C][=N+1][=N-1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Ring1][O][C][=C][Branch1]... | 195 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
5 | {
"selfies": [
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][O][C][C][N][C][C][C][Ring1][=Branch1][C][=C][C][=C][Branch1][P][O][C][C][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][=C][Ring2][Ring1][Ring2]",
"[Cl]",
"[N... | 88 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
6 | {
"selfies": [
"[C][C][C][C][C][=N][N][Branch1][C][C][C][=Ring1][=Branch1][C][C][=C][Branch2][Ring2][=N][C][=Branch1][C][=O][N][C][Branch2][Ring1][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][C][F][Branch1][C][F][F][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O]... | 736 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
7 | {
"selfies": [
"[C][=C][Branch1][C][C][C]",
"[C][C][=C][C][=C][Branch1][=C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][#C]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O]",
"[O][=S][=Branch1][C][=O][Branch1][C][O][O]",
"[O][=S][=Branch1][C][=O][Branch1][C][O... | 511 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
8 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][Branch2][Ring1][=C][C][C][=C][C][=C][Branch2][Ring1][C][N][C][=Branch1][C][=O][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl][C][=C][Ring1][P][N][C][=Branch1][C][=O][C][Branch1][Ring2][C][C][N][C][C][C][C][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][=... | 271 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
9 | {
"selfies": [
"[C][O][C][=C][C][=C][Branch2][Ring2][#Branch1][S][C][C][Branch1][C][O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][C][C][C][C][N][Ring1][Branch1][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][S]",
"[Cl][C][Cl]",
"[O][=C][Branch1][Ring1][O][O][C... | 500 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
10 | {
"selfies": [
"[C][O]",
"[C][O][C][=C][C][=C][C][Branch2][Branch1][#Branch2][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][N][Ring1][S][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][C][Branch1][=Branch2][C][Branch1][C... | 428 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
11 | {
"selfies": [
"[C][C][C][N][C][C][=N][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][Branch1][C][N][=C][Ring1][N][C][Ring1][#C][=O]",
"[C][C][=C][C][=C][Branch1][=Branch1][B][Branch1][C][O][O][C][Branch1][C][Cl][=N][Ring1][#Branch2]",
"[C][C][C][N][C][C][=N][C][=C][Branch1][=N][C][=C][C][=C][Br... | 883 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
12 | {
"selfies": [
"[C][C][#N]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][N][C][C][Ring1][Branch1][C][Ring1][Branch2]",
"[C][O][C][=C][C][=C][Branch2][Ring1][=N][O][C][Branch1][=N][C][C][C][O][S][Branch1][C][C][=Branch1][C][=O][=O][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ri... | 496 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
13 | {
"selfies": [
"[C][C][C][C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][C][Ring2][Ring1][Ring1]",
"[C][C][=Branch1][C][=O][O-1]",
"[C][C][=Branch1][C][=O][O-1]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[F][B-1][Branch... | 956 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
14 | {
"selfies": [
"[C][O][C][=C][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][=C][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][C][C][N][C][C][Ring1][=Branch1][=C][S][Ring1][O][C][=C][Ring2][Ring1][Branch1][C][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][Branch1][C][O][C][N][C][=C][N][=C][Ring1]... | 146 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
15 | {
"selfies": [
"[C][#C][C][N][C][C][C][C][Ring1][Branch1]",
"[O][=C][C][C][=C][N][=C][Branch1][=N][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][N][=C][Ring1][=C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][N][Ring2][Ring1][Branch2]",
"[O][=C][C][C][=C][N][=C][Branch2][Ring1][=Branch1]... | 664 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
16 | {
"selfies": [
"[C][C][C][C][C][C][C][C][C][C][C][Branch1][O][C][C][C][C][C][C][C][C][C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch1][Ring2][Ring1][=Branch2]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][=C][C][=C][C][=C][Ring1][=B... | 894 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
17 | {
"selfies": [
"[C][O][C][=C][C][Branch1][N][N][C][C][N][Branch1][C][C][C][C][Ring1][#Branch1][=C][C][=C][Ring1][=N][N][C][=N][C][Branch1][C][Cl][=N][C][=C][Ring1][#Branch1][Cl]",
"[C][O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][N][C][C][N][Branch1][O][C][C][S][Branch1][C][C][=Branch1][C][=O][... | 808 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
18 | {
"selfies": [
"[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][C][O]",
"[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[C][N][C]",
"[Cl]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O][C][C][=C][C][=N][C][NH1][C][Branch2][Ring1][Branch1][C][=C][C][=C][Branch1][O][O][C][C][... | 146 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
19 | {
"selfies": [
"[C][C][C][C][C][C][C][O][C][=C][C][=C][Branch1][=N][C][C][C][Branch1][C][N][Branch1][Ring1][C][O][C][O][C][=C][Ring1][=C][C][Branch1][C][F][Branch1][C][F][F]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Cl]",
"[O][=C][Branch1][C][Cl][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C]... | 479 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
20 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][C][=O][C][=C][Ring1][Branch2]",
"[N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][=N][C][N][C][C][C][=C][C][=C][C][=N][Ring1][=Branch1][C][=C][Ring1][S]"
],
"smile... | 468 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
21 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][Ring1][Ring1][C][=C][C][=C][C][Branch1][C][N][=C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[Cl][C][Cl]",
"[C][C][... | 6 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
22 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][C][C][N][Branch1][#C][C][=Branch1][C][=O][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring1][S]",
"[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][N][Branch1][C][C]... | 313 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
23 | {
"selfies": [
"[C][C][#N]",
"[C][C][O][C][Branch2][Ring1][#Branch1][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Branch1][Ring1][C][#N][C][=C][Ring1][Branch2][Ring1][=N][O][C][C]",
"[Cl]",
"[N][#C][C][=C][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][Ring2][C][C][=O][C][Ring1][#Branch2][=C][Ring1][... | 409 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
24 | {
"selfies": [
"[C][C][C][=C][C][Branch2][Ring2][O][C][C][Branch2][Ring1][P][O][C][=Branch1][C][=O][N][C][C][C][Branch1][P][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][Ring1][O][=O][C][C][Ring2][Ring1][C][C][=Branch1][C][=O][O][=C][C][Branch1][C][C][=C][Ring2][Ring1][P][O][C][C][=C][C][=C][C][=C][Ring1][... | 23 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
25 | {
"selfies": [
"[Br][B][Branch1][C][Br][Br]",
"[C][O]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][N][N][C][Branch1][C][C][C][C][C][Ring1][=Branch1][C][C][Ring1][=N]",
"[Cl][C][Cl]",
"[C][C][C][C][C][Branch1][C][C][N][Ring1][=Branch1][C][C][C][=C][C][=C][Branch1]... | 48 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
26 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][C][C][Branch1][N][C][C][C][C][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[Cl][C][Cl]",
"[N][=C][Branch1][P][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][N][O]",
"[O][=C][Branch1]... | 924 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
27 | {
"selfies": [
"[C][=C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][O]",
"[O][=S][Branch1][C][Cl][Cl]",
"[C][=C][C][C][O][C][=C][C][=C][Branch1][C][F][C][=C][Ring1][#Branch1][C][Cl]"
],
"smiles": [
"C=CCCOc1ccc(F)cc1CO",
"O=S(Cl)Cl",
"C=CCCOc1ccc(F)cc1CCl"
]
} | 81 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
28 | {
"selfies": [
"[C][C][O]",
"[C][C][O][C][Branch1][C][C][=O]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[Pd]",
"[N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][N][Ring1][Branch1][C][C][=C][C][=N][C][=C]... | 1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
29 | {
"selfies": [
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][N][C][C][C][N][C][C][Ring1][#Branch1]",
"[Cl]",
"[Cl][C][Cl]",
"[O][=C][Branch1][C][O][C][N][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=B... | 146 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
30 | {
"selfies": [
"[C][O][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][Branch2][C][C][C][=Branch1][C][=O][O][C][=N][Ring1][O]",
"[C][O][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][=N][C][C][C][=Branch1][C][=O][N][C][C][=Branch1][C][=O][N][Branch1][C][C][C][=C][C][=C][Branch1][C][Cl][C][Branch2]... | 133 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
31 | {
"selfies": [
"[C][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1]",
"[O][=C][Branch1][C][O][C][=C][C][=C][Branch2][Ring2][=Branch2][C][=C][N][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][N][Branch2][Ring1][Branch1][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][C][Branch1][C][F][Branch1][C][F][F... | 334 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
32 | {
"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][O][Ring1][#Branch1]",
"[O][=S][=Branch1][C][=O][Branch1][C][Cl][C][C][C][C][O][C][Ring1][Ring2]",
"[C][=C][C][=N][C][=C][Ring1][=Branch1]",
... | 812 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
33 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O][C][=Branch1][C][=O][C][C][=C][C][=C][C][Branch1][C][Br][=C][Ring1][#Branch1][O][C]",
"[Cl]",
"[BH4-1]",
"[Li+1]",
"[C][O][C][=C][Branch1][C][Br][C][=C][C][=C][Ring1][#Branch1][C][C][O]"
],
"smiles": [
"C1CCOC1",
"COC(=O)Cc1c... | 343 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
34 | {
"selfies": [
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[C][C][=C][C][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch2][Ring1][C][C][O][Si][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][C][=N][Ring2][Ring1][Branch1]",... | 708 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
35 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][Branch1][O][O][C][C][O][N][C][=Branch1][C][=N][N][=C][C][=C][Ring1][=C][Ring1][P]",
"[C][O]",
"[Cl]",
"[O]",
"[Li+1]",
"[OH1-1]",
"[N][=C][Branch1][C][N][N][O][C... | 7 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
36 | {
"selfies": [
"[Br][B][Branch1][C][Br][Br]",
"[C][O][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][C][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][Branch1][Ring1][O][C][C][=C][Ring2][Ring1][Ring1][O][C][C][O][Ring1][=Branch1]",
"[Cl][C][Cl]",
"[O][=C][Branch2][Ring1][#Branch2][C][... | 20 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
37 | {
"selfies": [
"[Cl][C][=C][C][=C][Branch2][Ring1][Branch1][C][Branch1][#Branch2][O][C][C][C][N][C][C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][Ring2][Ring1][Ring2]",
"[O][=N+1][Branch1][C][O-1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][C][Cl]",
"[O][=N+1][Branch1][C][O-1][C][=C]... | 138 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
38 | {
"selfies": [
"[C][=C][C][=C][C][Branch1][Branch2][N][C][=N][N][=N][Ring1][Branch1][=C][C][=C][Ring1][O][C][C][=Branch1][C][=O][O]",
"[Cl]",
"[Cl][C][C][Cl]",
"[Cl][C][Cl]",
"[O][=C][O][C][C][=C][C][Branch1][O][C][C][N][C][C][N][C][C][Ring1][=Branch1][=C][C][=C][Ring1][=C][Ring1][P]",
"[O][N]... | 146 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
39 | {
"selfies": [
"[Br][C][=C][C][=C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=C][Ring1][N]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][O][B][Branch1][#Branch1][O][C][Branch1][C][C][C][O][C][Branch1][C][C][C]",
"[C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[Li][C][C][... | 832 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
40 | {
"selfies": [
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][C][=Branch1][C][=O][N][Branch1][=N][C][=N][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl][C][=Branch1][C][=S][NH1][C][Ring1][S][=C][Ring2][Ring1][Ring2]",
"[Na+1]",
"[OH1-1]",
"[O][=C][Branch1][C][O][C][=C][C][=C][C][=Branch1][... | 247 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
41 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][C][C][C][Ring1][=Branch1][C][=Branch1][C][=O][O]",
"[C][N][Branch1][C][C][C][=C][C][=N][C][=C][Ring1][=Branch1]",
"[Cl][C][C][Cl]",
"[Cl][C][Cl]",
"[C][=C][C][=C][Branch1][#Branch2][C][N][C][C][N][C][C][Ring1][=Br... | 685 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
42 | {
"selfies": [
"[C][=C][Branch1][C][C][C][=Branch1][C][=O][Cl]",
"[C][=C][C][=Branch1][C][=O][Cl]",
"[C][C][Branch1][Ring1][C][O][C][C][Branch1][C][O][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][C][Branch1][C][F][Branch1][C][F][F]",
"[O][C][C][C][C][Branch1][C][O][Branch1][=Branch2][C][Bran... | 320 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
43 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[Cl][C][Cl]",
"[N][C][=Branch1][C][=O][C][=C][Branch1][C][N][S][C][=C][Ring1][=Branch1][C][C][C][C][Ring1][=Branch1]",
"[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][C][=C][C][=C][C][NH1][N][=N][C][Ring1][=Branch2][=Ring1][Br... | 882 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
44 | {
"selfies": [
"[C][C][C][C][N+1][Branch1][Branch1][C][C][C][C][Branch1][Branch1][C][C][C][C][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][C][Cl][=C][Ring1][Branch2]",
"[O][=C][Branch1][C][O-1][O-1]",
"[O][=C][C][=C][... | 49 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
45 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][Branch1][C][C][=C][Branch1][Ring1][C][=O][NH1][Ring1][Branch2]",
"[O][=C][C][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][N][Ring1][#Branch2]",
"[C][C][N][Branch1][Ring1][C][C][C][C][C][N][C][=Branch1][C][=O... | 440 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
46 | {
"selfies": [
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[C][C][Branch1][C][C][C][=C][C][Branch1][=Branch1][C][Branch1][C][C][C][=C][Branch2][Ring1][N][C][=C][C][=C][C][=C][Ring1][=Branch1][P][Branch1][=Branch2][C][C][C][C][C][C][Ring1][=Branch1][C][C][C][C][C][C][Ring1][=Branch1][C][Branch1][=Branch1][C][Branc... | 955 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
47 | {
"selfies": [
"[C][C][=Branch1][C][=O][O]",
"[C][C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][Branch1][Branch2][C][=C][C][=C][O][Ring1][Branch1][=N][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][C][Ring1][=Branch2]",
"[O][=C][Branch1][C][O-1][O]",
"[Fe]",
"... | 1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
48 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][C][=O][C][=C][C][=C][Branch1][N][N][C][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring2][Ring1][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[Pd]",
"[C][C][N][Branch1][Ring1][C][C][C][=Branch1][... | 489 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
49 | {
"selfies": [
"[C][#C][C][Branch1][C][O][C][C][N][Branch1][C][C][C][Ring1][#Branch1][=O]",
"[C][O][C][=Branch1][C][=O][C][=N][N][Branch1][N][C][=C][C][=C][C][Branch1][C][I][=C][Ring1][#Branch1][C][=C][N][=C][C][=C][Ring1][S][Ring1][=Branch1]",
"[C][O][C][=Branch1][C][=O][C][=N][N][Branch2][Ring1][O][C][=... | 664 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
50 | {
"selfies": [
"[C][C][O]",
"[Cl]",
"[O][=C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][=Branch2][Cl]",
"[BH4-1]",
"[Na+1]",
"[O][C][C][=C][Branch1][C][Cl][C][Branch1][C][F][=N][C][Branch1][C][F][=C][Ring1][=Branch2][Cl]"
],
"smiles": [
"CCO",
"Cl",
... | 356 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
51 | {
"selfies": [
"[C][C][O][C][Branch1][C][C][=O]",
"[C][C][O][C][=C][C][=C][Branch2][Ring1][P][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][N][C][=Branch1][C][=O][N][Branch1][Ring1][C][C][C][C][=C][C][=C][Ring1][=N][N+1][=Branch1][C][=O][O-1][C][=C][Ring2][Ring1][#Branch2]",
"[Pd]",
"[C][C][O][C][=C][C... | 28 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
52 | {
"selfies": [
"[C][C][Branch1][C][C][C][C][=Branch1][C][=O][N][C][=C][C][Branch1][C][Cl][=C][Branch1][Branch1][C][C][C][Cl][C][=C][Ring1][O][Ring1][P]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Na+1]",
"[Na+1]",
"[C][=C][C][=C][C][Branch1][=Branch2][N][C][C][N][C][C][Ring1][=Branch1][=N][O][C][Ring1][O... | 138 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
53 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][Branch1][C][C][Branch1][C][C][O]",
"[C][I]",
"[H-1]",
"[Na+1]",
"[C][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][#C][N][C][=Bran... | 140 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
54 | {
"selfies": [
"[Br][Br]",
"[C][C][=Branch1][C][=O][C][Branch1][C][C][Branch1][C][C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1]",
"[C][C][Branch1][C][C][Branch1][=C][C][S][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][Br]"
],
"smiles": [
"BrBr",
... | 173 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
55 | {
"selfies": [
"[C][C][O]",
"[C][C][=C][C][=C][Branch2][Ring1][Branch2][N][C][=Branch1][C][=O][C][=C][C][=C][Branch1][C][N][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][Ring1][C]",
"[O][=Pt]",
"[C][C][=C][C][=C][Branch2][Ring1][Ring2][N][C][=Branch1][C][=O... | 489 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
56 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl][C][Cl]",
"[N][C][C][C][C][C][Branch2][Branch1][=Branch1][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][S][=Branch1][C][=O][=Branch1][C][=O][N][C][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F]... | 271 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
57 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl]",
"[Cl][C][C][Cl]",
"[O][=C][Branch1][C][O][C][C][N][C][C][C][Ring1][=Branch1][C][C][Ring1][=Branch1]",
"[O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][Branch1][C][F]... | 17 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
58 | {
"selfies": [
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][C][C][N+1][=Branch1][C][=O][O-1]",
"[N]",
"[N][C][=Branch1][C][=O][C][C][C][N+1][=Branch1][C][=O][O-1]"
],
"smiles": [
"CO",
"COC(=O)CCC[N+](=O)[O-]",
"N",
"NC(=O)CCC[N+](=O)[O-]"
]
} | 432 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
59 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][BH1-1][Branch1][#Branch1][O][C][Branch1][C][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][Branch2][Ring1][C][C][C][=C][C][=C][Branch1][Branch1][C][=N][Ring1][=Branch1][O][C][C][O][Ring1][Branch2][C][C][C][N][C][C][R... | 484 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
60 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][S][=Branch1][C][=O][=Branch1][C][=O][Cl]",
"[Cl][C][Cl]",
"[O][=C][Branch2][Ring1][S][C][=C][C][Branch2][Ring1][Ring1][C][C][=N][NH1][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][O][Ring1][=Branch1][=C][C][=C][Ring2][Ring1][C][F][N][C][C]... | 0 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
61 | {
"selfies": [
"[C][C][#N]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][O][C][=Branch1][C][=O][C][C][C][N][Branch1][#Branch1][C][=Branch1][C][=O][O][C][C][Branch2][Ring1][Branch1][C][C][=C][C][=C][Branch1][#Branch2][O][C][Branch1][C][F][Branch1][C][F][F][C][=C][Ring1][O][C][Ring2][Ring1][=Branch1]",
... | 88 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
62 | {
"selfies": [
"[C][O]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][O][N][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][Ring1][S]",
"[H][H]",
"[Pd]",
"[C][O][C][=C][C][=C][C][=Branch1][Ring2][=C][Ring1][=Branch1][C][C][Branch1][C][N][C][C][C][Ring1][=Branch2]... | 561 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
63 | {
"selfies": [
"[C]",
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[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]",
"[N]",
"[N][C][C][=C][C][=C][Branch1][C][O][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][#Branch2]",
... | 686 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
64 | {
"selfies": [
"[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Branch2][P][Branch1][C][C][Branch1][C][C][=O][=C][C][=C][Ring1][#Branch2][N+1][=Branch1][C][=O][O-1]",
"[C][C][O]",
"[Pd]",
"[C][C][Branch1][C][C][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][Branch1][=Bra... | 1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
65 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][Si][Branch1][C][C][Branch1][C][C][O][C][C][C][C][Branch1][=Branch2][N][C][C][C][C][Ring1][Branch1][=O][C][C][Ring1][N]",
"[C][C][O]",
"[Cl]",
"[O][=C][C][C][C][N][Ring1][Branch1][C][C][C][C][Branch1][C][O][C][C][Ring1][#Branch1]"
],
"smiles": [
... | 708 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
66 | {
"selfies": [
"[C][#C][Si][Branch1][C][C][Branch1][C][C][C]",
"[O][=C][Branch1][=C][N][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][F][C][Branch1][C][F][Branch1][C][F][F]",
"[C][Si][Branch1][C][C][Branch1][C][C][C][#C][C][=C][C][=C][Branch1][C][F][C][Branch1][=C][N][C][=Branch1][C][=O][C][Branch... | 671 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
67 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][O][C][=Branch1][C][=O][C][C][C][=C][C][=C][Branch1][S][C][N][C][C][Branch1][C][C][O][C][Branch1][C][C][C][Ring1][Branch2][C][=C][Ring1][#C]",
"[Al+3]",
"[H-1]",
"[H-1]",
"[H-1]",
"[H-1]",
"[Li+1]",
"[C][C][C][N][Branch1][S][... | 225 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
68 | {
"selfies": [
"[C][C][O]",
"[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][Ring1][C][Br][=C][Ring1][O][Br]",
"[O]",
"[C-1][#N]",
"[K+1]",
"[C][C][=C][C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][=C][C][Branch1][Ring2][C][C][#N][=C][Ring1][N][Br]"
],
"smile... | 39 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
69 | {
"selfies": [
"[C][O][C][=C][C][Branch1][C][Br][=C][C][=C][Ring1][#Branch1][C][=Branch1][C][=O][C][C][C][Ring1][#Branch1][Branch1][C][C][C]",
"[Cl][C][Cl]",
"[O]",
"[Al+3]",
"[Cl-1]",
"[Cl-1]",
"[Cl-1]",
"[C][C][Branch1][C][C][C][C][C][=Branch1][C][=O][C][=C][Branch1][C][O][C][=C][Bra... | 48 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
70 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][N][Branch2][Ring1][C][C][=N][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][=C][S][Ring1][O][C][C][Ring1][P]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][C][O][C][C]",
"[Cl]",
"[C][=C][C][=C][Branch2][Ri... | 575 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
71 | {
"selfies": [
"[Br][B][Branch1][C][Br][Br]",
"[C][O][C][=C][C][=C][C][Branch2][Ring1][C][C][=Branch1][C][=O][N][C][C][N][C][C][C][Ring1][#Branch1][C][C][Ring1][=Branch1][=N][S][C][Ring1][S][=C][Ring2][Ring1][Ring2]",
"[Cl][C][C][Cl]",
"[Cl][C][Cl]",
"[O][=C][Branch1][P][C][=N][S][C][=C][C][Branch... | 48 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
72 | {
"selfies": [
"[Br][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[N][C][C][C][N][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N]",
"[C][=C][C][=C][Branch2][Ring1][Ring2][C][N][C][C][C][Branch1][#Branch2][N][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][N][C][=C][Ring2][Ring1][Ring1... | 519 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
73 | {
"selfies": [
"[C][C][O][C][=Branch1][C][=O][C][Branch1][C][F][C][C][N][C][C][Ring1][#Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[Cl]",
"[Cl][C][=N][C][=C][Branch1][C][Br][C][=N][Ring1][#Branch1]",
"[O][=C][Branch1][C][O-1][O-1]",
"[Cs+1]",
"[Cs+1]",
"[C][C][O][C][=Branch1][C][=O][C]... | 36 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
74 | {
"selfies": [
"[C][C][=Branch1][C][=O][O][C][Branch1][C][C][=O]",
"[C][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][Br]",
"[Cl][C][Cl]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][C][C][Branch1][C][Br][=C][Ring1][Branch2]"
],
"smiles": [
"CC(=O)OC(C)=O",
"Cc1ccc(N)cc1Br... | 6 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
75 | {
"selfies": [
"[C][C][#N]",
"[C][I]",
"[N][#C][C][=C][N][=C][C][=C][Branch1][=Branch2][O][C][C][C][O][C][Ring1][Branch1][C][Branch1][#C][N][C][=Branch1][C][=O][C][=C][C][C][N][C][C][Ring1][=Branch1][=C][C][Ring2][Ring1][=Branch1][=C][Ring2][Ring1][#Branch2][N][C][=C][C][=C][Branch1][O][O][C][C][=C][C][=C... | 483 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
76 | {
"selfies": [
"[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][N][C][C][O][C][C][Ring1][=Branch1]",
"[Cl]",
"[N][C][=C][C][=C][Branch1][C][Cl][C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][=C][Ring1][O]",
... | 365 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
77 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][=Branch1][C][=O][N][C][=C][C][=C][Branch1][C][N][C][=C][Ring1][#Branch1][C][Branch1][C][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][Ring2][Ring1][C][Branch1][C][C][C]",
"[C][C][Branch1][C][C][C][C][=Branch1][C][=O][Cl]",
"... | 9 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
78 | {
"selfies": [
"[C][C][C][P][=Branch1][C][=O][O][P][=Branch1][C][=O][Branch1][Ring2][C][C][C][O][P][=Branch1][C][=O][Branch1][Ring2][C][C][C][O][Ring1][#C]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][C][N][C][=Branch1][C][=O][C][=... | 334 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
79 | {
"selfies": [
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][N][=C][=N][C][C][C][N][Branch1][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][=C][C][=C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=N][Ring1][=Branch2]",
"[Cl]",
"[N][C][=C][C][=C][C][Branch2][Ring1][O][O][C][C][=C][C][=N]... | 548 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
80 | {
"selfies": [
"[C][C][Branch1][C][C][O][C][=Branch1][C][=O][Cl]",
"[C][C][N][Branch1][=Branch1][C][Branch1][C][C][C][C][Branch1][C][C][C]",
"[C][C][N][C][=Branch1][C][=O][N][C][=C][C][=C][Branch2][Ring1][O][C][=N][C][=C][Branch1][#C][C][Branch1][=Branch2][N][C][C][O][C][C][Ring1][=Branch1][=N][Ring1][N][... | 219 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
81 | {
"selfies": [
"[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][=N][Ring1][Branch2]",
"[C][O]",
"[H][H]",
"[Pd]",
"[C][C][Branch1][C][C][Branch1][C][C][N][C][=C][Branch1][C][N][C][=N][Ring1][=Branch1]"
],
"smiles": [
"CC(C)(C)n1cc([N+](=O)[O-... | 628 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
82 | {
"selfies": [
"[C][C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Ring1][Branch1][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring1][O][C][C][Branch1][Ring1][O][C][=C][Ring1][#Branch2][C][=C][Ring2][Ring1][C]",
"[Na+1]",
"[OH1-1]",
"[C][O][C][=C][C][=C][Branch2][Ring1][Ring2][C][=Branc... | 247 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
83 | {
"selfies": [
"[C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][O]",
"[C][=C][C][=C][Branch1][P][C][=C][Ring1][=Branch1][O][C][C][C][N][C][C][C][C][C][Ring1][=Branch1][C][C][N][C][C][Ring2][Ring1][Ring1]",
"[C][N][C][C][C][C][Ring1][Branch1][C][=Branch1][C][=O][N][C][C][C][=C][C][=C][Branch1][=N][O... | 685 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
84 | {
"selfies": [
"[C][C][O]",
"[C][O]",
"[C][C][=C][C][=C][Branch1][=Branch1][N+1][=Branch1][C][=O][O-1][C][Branch2][Ring1][=C][N][C][C][C][N][Branch2][Ring1][C][C][C][C][C][Branch1][Branch2][O][C][C][C][C][Ring1][Ring1][C][C][Ring1][O][C][C][Ring1][P][=C][Ring2][Ring1][O]",
"[N][N]",
"[O]",
"[N... | 1 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
85 | {
"selfies": [
"[C][C][#N]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[Cl][C][Cl]",
"[N][C][C][Branch1][C][O][C][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][Cl]",
"[O][=C][Branch1][Ring1][C][Cl][N][C][C][Branch1][C][O][C][C][=C][C][Branch... | 45 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
86 | {
"selfies": [
"[C][N][Branch1][C][C][C][=O]",
"[Cl][C][=C][C][=C][C][=C][NH1][C][Ring1][Branch1][=C][Ring1][=Branch2]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Branch1][Ring1][C][Br][C][=C][Ring1][Branch2]",
"[H-1]",
"[Na+1]",
"[F][C][Branch1][C][F][Branch1][C][F][C][=C][C][=C][Br... | 528 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
87 | {
"selfies": [
"[C][C][C][P][=Branch1][C][=O][O][P][=Branch1][C][=O][Branch1][Ring2][C][C][C][O][P][=Branch1][C][=O][Branch1][Ring2][C][C][C][O][Ring1][#C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][O][C][Branch1][C][C][=O]",
"[C][C][C][=N][N][=C][C][=C][C][Branch1][C][N][=C][N][Ring1][#Branch... | 724 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
88 | {
"selfies": [
"[C][C][#N]",
"[N][C][=C][C][=C][C][=C][C][Branch1][C][Cl][=N][C][Ring1][#Branch1][=N][Ring1][O]",
"[O]",
"[O][=C][Branch1][C][O][C][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O][=C][Branch1][#Branch2][C][C][=C][C][=C][C][=C][Ring1][=Branch1][N][C][=C][C][=C][C][=C][C][Branch1][C][Cl... | 368 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
89 | {
"selfies": [
"[C][C][Branch1][C][C][N][C][C][C][Branch1][C][N][C][C][Ring1][#Branch1]",
"[N][C][=C][C][=C][N][=C][Branch2][Ring1][C][N][C][C][C][C][=C][C][Branch1][C][F][=C][C][=C][Ring1][#Branch1][Ring1][#Branch2][C][=C][C][Ring1][P][=C][Ring2][Ring1][Branch1]",
"[O][=C][Branch1][#Branch2][O][C][Branch... | 914 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
90 | {
"selfies": [
"[C][C][=Branch1][C][=O][C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][NH1][N][=Ring1][Branch2]",
"[C][C][=C][Branch1][S][C][C][=C][N][Branch1][#Branch1][C][Branch1][C][C][C][N][N][=Ring1][=Branch2][C][=C][C][Branch1][Ring1][C][#N][=C][Ring1][P][Cl]",
"[C][C][=Branch1][C][=O][C][C][=C... | 816 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
91 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][C][N][Ring1][#Branch1][C][=Branch1][C][=O][C][C][=C][C][=C][Branch1][C][Cl][C][=C][Ring1][#Branch1][Cl]",
"[C][N][Branch1][C][C][C][Branch1][#C][O][N][N][=N][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][... | 797 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
92 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][O][C][=Branch1][C][=O][C][=C][C][=C][Branch2][Branch1][Ring2][C][N][Branch1][C][C][C][=C][C][=C][Branch2][Ring2][C][O][C][C][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][C][=N][N][Ring1][Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][... | 247 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
93 | {
"selfies": [
"[Br]",
"[C][O][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[O][C][=C][C][=C][C][=N][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]"
],
"smiles": [
"Br",
"COc1ccc2cnccc2c1",
"Oc1ccc2cnccc2c1"
]
} | 48 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
94 | {
"selfies": [
"[C][C][N][C][=C][C][Branch1][C][Cl][=N][C][=Branch1][C][=O][N][Ring1][Branch2][C][C][Ring1][O][Branch1][C][C][C]",
"[O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F]",
"[C][C][N][C][=C][C][Branch1][#C][O][C][C][=C][C][=C][C][Branch1][C][F][=C][Ring1][#Branch1][F][=N][C][=Branc... | 653 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
95 | {
"selfies": [
"[C][C][Branch1][C][N][C][O]",
"[C][N][Branch2][Ring1][O][C][=Branch1][C][=O][C][=C][C][=C][Branch1][Ring2][S][Ring1][Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1][O][C][C][Ring1][N][C][=C][C][=C][Branch1][=Branch1][C][=Branch1][C][=O][O][C][=C][Ring1][=Branch2][Cl]",
"[C][C][Branch1][Ring... | 334 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
96 | {
"selfies": [
"[C][C][C][O][C][Ring1][Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][S][Branch1][C][C][=O]",
"[Cl][C][Cl]",
"[O]",
"[O][=C][Branch1][C][Cl][C][=Branch1][C][=O][Cl]",
"[O][=C][Branch1][#Branch1][N][C][C][C][C][O][C][=C][C][=C][Branch1][C][Br][C][=C][Ring1][#Branch... | 142 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
97 | {
"selfies": [
"[N][C][C][C][#C][C][=C][C][=C][C][Branch1][Ring1][C][F][=N][Ring1][Branch2]",
"[O][=C][Branch1][C][Cl][C][=C][Branch1][C][Cl][C][=C][C][=C][Ring1][#Branch1][Cl]",
"[O][=C][Branch2][Ring1][C][N][C][C][C][#C][C][=C][C][=C][C][Branch1][Ring1][C][F][=N][Ring1][Branch2][C][=C][Branch1][C][Cl][C... | 271 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
98 | {
"selfies": [
"[C][C][O][C][Branch1][C][C][=O]",
"[C][O]",
"[Cl]",
"[N][#C][C][=N][C][Branch1][S][S][C][=C][C][Branch1][C][Cl][=C][C][Branch1][C][Cl][=C][Ring1][Branch2][=C][C][=C][Ring1][#C][N+1][=Branch1][C][=O][O-1]",
"[O]",
"[Fe]",
"[N][#C][C][=N][C][Branch1][S][S][C][=C][C][Branch1][... | 269 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
99 | {
"selfies": [
"[C][C][O][C][C][O][Ring1][=Branch1]",
"[C][C][Branch1][C][C][Branch1][C][C][O][C][=Branch1][C][=O][N][C][C][=C][C][Branch2][Ring1][Ring1][C][=C][N][=C][Branch1][=Branch2][C][Branch1][C][F][Branch1][C][F][F][N][=C][Ring1][#Branch2][=C][C][=C][Ring1][S][C][Branch1][C][N][=O]",
"[Cl]",
"[... | 793 | [
{
"content": "You are a chemist. Now you are given a reaction equation. Please predict the class of the reaction.\nThe reaction equation has the following format:\n```\nreactant1.reactant2. ... .reactantN>>product\n```\nYour task is to predict the class number. We provide the SMILES of the reactants.",
"rol... |
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