task stringclasses 3 values | ground_truth stringclasses 10 values | molecules dict | messages listlengths 3 3 | id int64 0 3.95k |
|---|---|---|---|---|
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,200 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,201 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"C(=O)(O)[O-].[Na+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,202 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,203 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,204 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,205 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,206 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,207 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,208 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[F-].[Cs+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,209 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[F-].[Cs+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,210 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[F-].[Cs+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,211 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[F-].[Cs+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,212 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[F-].[Cs+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,213 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,214 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[F-].[Cs+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,215 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[F-].[Cs+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,216 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[F-].[Cs+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,217 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,218 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,219 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,220 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,221 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,222 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,223 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,224 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,225 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,226 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,227 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,228 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[OH1-1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[OH-].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,229 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[OH1-1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[OH-].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,230 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[OH1-1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[OH-].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,231 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[OH1-1].[K+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[OH-].[K+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,232 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[OH1-1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[OH-].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,233 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[OH1-1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[OH-].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,234 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[OH1-1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[OH-].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,235 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[OH1-1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[OH-].[K+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,236 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[OH1-1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[OH-].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,237 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[OH1-1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[OH-].[K+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,238 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[OH1-1].[K+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[OH-].[K+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,239 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[Li+].CC(C)(C)[O-]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,240 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[Li+].CC(C)(C)[O-]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,241 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[Li+].CC(C)(C)[O-]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,242 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[Li+].CC(C)(C)[O-]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,243 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[Li+].CC(C)(C)[O-]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,244 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[Li+].CC(C)(C)[O-]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,245 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[Li+].CC(C)(C)[O-]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,246 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[Li+].CC(C)(C)[O-]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,247 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[Li+].CC(C)(C)[O-]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,248 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[Li+].CC(C)(C)[O-]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,249 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[Li+1].[C][C][Branch1][C][C][Branch1][C][C][O-1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[Li+].CC(C)(C)[O-]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,250 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"CCN(CC)CC",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,251 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"CCN(CC)CC",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,252 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"CCN(CC)CC",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,253 |
solvent_selection | 1 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"CCN(CC)CC",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,254 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"CCN(CC)CC",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,255 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"CCN(CC)CC",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,256 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"CCN(CC)CC",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,257 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"CCN(CC)CC",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,258 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"CCN(CC)CC",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,259 |
solvent_selection | 0 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"CCN(CC)CC",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,260 |
solvent_selection | 2 | {
"selfies": [
"[I][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[C][C][N][Branch1][Ring1][C][C][C][C]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Ic1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"CCN(CC)CC",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,261 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[OH1-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[OH-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,262 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[OH1-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[OH-].[Na+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,263 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[OH1-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[OH-].[Na+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,264 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[OH1-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[OH-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,265 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[OH1-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[OH-].[Na+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,266 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[OH1-1].[Na+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[OH-].[Na+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,267 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[OH1-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[OH-].[Na+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,268 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[OH1-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[OH-].[Na+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,269 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[OH1-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[OH-].[Na+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,270 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[OH1-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[OH-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,271 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[OH1-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[OH-].[Na+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,272 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,273 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,274 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"C(=O)(O)[O-].[Na+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,275 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"C(=O)(O)[O-].[Na+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,276 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"C(=O)(O)[O-].[Na+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,277 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"C(=O)(O)[O-].[Na+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,278 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,279 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"C(=O)(O)[O-].[Na+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,280 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"C(=O)(O)[O-].[Na+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,281 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,282 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[C][=Branch1][C][=O][Branch1][C][O][O-1].[Na+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"C(=O)(O)[O-].[Na+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,283 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[F-].[Cs+]",
"CO",
"C1CCOC1",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,284 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,285 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,286 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,287 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[F-].[Cs+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,288 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][C][C][P][Branch2][Ring1][Branch1][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2][C][C][C][C][C][Branch1][O][C][C][Branch1][Ring2][C][Ring1][=Branch1][C][Ring1][=Branch2][C][Ring1][#Branch2]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CCCCP(C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2",
"[F-].[Cs+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,289 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][O][C][=C][C][=C][C][Branch1][Ring1][O][C][=C][Ring1][Branch2][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]",
"[F-1].[Cs+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"COc1cccc(OC)c1-c1ccccc1P(C1CCCCC1)C1CCCCC1",
"[F-].[Cs+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,290 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch2][Ring2][Ring1][CH0][C][=C][CH1][C@@H1][Ring1][Branch1][Fe][C][C][=C][C][=C][Ring1][Branch1][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P([C]1C=C[CH][C@@H]1[Fe]C1C=CC=C1P(C(C)(C)C)C(C)(C)C)C(C)(C)C",
"[F-].[Cs+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,291 |
solvent_selection | 1 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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][Branch1][C][C][C][=C][Ring2][Ring1][#C]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1",
"[F-].[Cs+]",
"CN(C)C=O",
"C1CCOC1",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,292 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][=C][C@H1][Fe][C@@H1][Ring1][Branch1][CH0][Ring1][Ring2][P][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=C][C][=C][C][=C][Ring1][=Branch1]",
"[F-1].[Cs+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1=C[C@H]2[Fe][C@@H]1[C]2P(c1ccccc1)c1ccccc1",
"[F-].[Cs+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,293 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][C][=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][Ring2][Ring1][Ring1][O][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][C][=C][Ring2][Ring1][Ring1][Ring2][Ring2][=Branch2]",
"[F-1].[Cs+1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21",
"[F-].[Cs+]",
"CN(C)C=O",
"CO",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,294 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][C][Branch1][C][C][Branch1][C][C][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CC(C)(C)P(C(C)(C)C)C(C)(C)C",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,295 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"c1ccc(P(c2ccccc2)c2ccccc2)cc1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,296 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][N][Branch1][C][C][C][C][=C][C][=C][Branch2][Ring1][Ring2][P][Branch1][=Branch2][C][Branch1][C][C][Branch1][C][C][C][C][Branch1][C][C][Branch1][C][C][C][C][=C][Ring1][#C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"CN(C)Cc1ccc(P(C(C)(C)C)C(C)(C)C)cc1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CO",
"CN(C)C=O"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,297 |
solvent_selection | 0 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[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]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][O]",
"[C][N][Branch1][C][C][C][=O]",
"[C][C][C][O][C][Ring1][Branch1]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"C1CCC(P(C2CCCCC2)C2CCCCC2)CC1",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"CO",
"CN(C)C=O",
"C1CCOC1"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,298 |
solvent_selection | 2 | {
"selfies": [
"[Br][C][=C][C][=C][N][=C][C][=C][C][Ring1][=Branch1][=C][Ring1][#Branch2]",
"[C][C][=C][C][=C][C][Branch1][=C][C][=N][N][Ring1][Branch1][C][C][C][C][C][O][Ring1][=Branch1][=C][Ring1][#C][B][O][C][Branch1][C][C][Branch1][C][C][C][Branch1][C][C][Branch1][C][C][O][Ring1][=Branch2]",
"[C][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][=C][Ring1][=Branch1][C]",
"[O-1][P][=Branch1][C][=O][Branch1][C][O-1][O-1].[K+1].[K+1].[K+1]",
"[C][C][C][O][C][Ring1][Branch1]",
"[C][N][Branch1][C][C][C][=O]",
"[C][O]"
],
"smiles": [
"Brc1ccc2ncccc2c1",
"Cc1ccc2c(cnn2C2CCCCO2)c1B1OC(C)(C)C(C)(C)O1",
"Cc1ccccc1P(c1ccccc1C)c1ccccc1C",
"[O-]P(=O)([O-])[O-].[K+].[K+].[K+]",
"C1CCOC1",
"CN(C)C=O",
"CO"
]
} | [
{
"content": "You are an expert chemist. Given selected two reactants, two reagents of a Suzuki reaction, predict the optimal solvent that maximize the yield with the rest of reaction components by using your experienced chemical solvent selection knowledge. No explanations and other information. Only return th... | 3,299 |
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