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You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C Toxic:
<boolean>No</boolean>
COC(=O)C(C)N(C(=O)c1ccco1)c1c(C)cccc1C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCc1ccc(N)cc1 Toxic:
<boolean>No</boolean>
CCCc1ccc(N)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 Toxic:
<boolean>No</boolean>
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCC1CCC(=O)CC1 Toxic:
<boolean>No</boolean>
CCCC1CCC(=O)CC1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCNC(=S)NCCCC Toxic:
<boolean>No</boolean>
CCCCNC(=S)NCCCC
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCN(CC)C(=O)C(C)Oc1cccc2ccccc12 Toxic:
<boolean>No</boolean>
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC=Cc1ccc2c(c1)OCO2 Toxic:
<boolean>No</boolean>
CC=Cc1ccc2c(c1)OCO2
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1 Toxic:
<boolean>No</boolean>
O=C(O)CNC(=O)c1ccc([N+](=O)[O-])cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): COCCOCCOC Toxic:
<boolean>No</boolean>
COCCOCCOC
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C(O)c1ccccn1 Toxic:
<boolean>No</boolean>
O=C(O)c1ccccn1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): NC(=O)c1cccnc1 Toxic:
<boolean>No</boolean>
NC(=O)c1cccnc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCCCC#N Toxic:
<boolean>No</boolean>
CCCCCCC#N
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCC(CC)C(=O)Cl Toxic:
<boolean>No</boolean>
CCCCC(CC)C(=O)Cl
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)C(=O)OCCc1ccccc1 Toxic:
<boolean>No</boolean>
CC(C)C(=O)OCCc1ccccc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1 Toxic:
<boolean>No</boolean>
CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC[C@@H](CO)NCCN[C@@H](CC)CO Toxic:
<boolean>No</boolean>
CC[C@@H](CO)NCCN[C@@H](CC)CO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1 Toxic:
<boolean>No</boolean>
CC(C)NCC(O)c1ccc([N+](=O)[O-])cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C(Cl)c1c(Cl)cccc1Cl Toxic:
<boolean>No</boolean>
O=C(Cl)c1c(Cl)cccc1Cl
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)CCCCCCc1ccc(OCCOCCO)cc1 Toxic:
<boolean>No</boolean>
CC(C)CCCCCCc1ccc(OCCOCCO)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Oc1ccc2ccccc2c1 Toxic:
<boolean>No</boolean>
Oc1ccc2ccccc2c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O Toxic:
<boolean>Yes</boolean>
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Nc1nc(N)nc(N)n1 Toxic:
<boolean>No</boolean>
Nc1nc(N)nc(N)n1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC1=CCC(=C(C)C)CC1 Toxic:
<boolean>No</boolean>
CC1=CCC(=C(C)C)CC1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): OCCNCCO Toxic:
<boolean>No</boolean>
OCCNCCO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12 Toxic:
<boolean>No</boolean>
CCCc1c2oc(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)n(CC)c12
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCOC(=O)NCCCN(C)C Toxic:
<boolean>No</boolean>
CCCOC(=O)NCCCN(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C1NC(=O)c2cc([N+](=O)[O-])ccc21 Toxic:
<boolean>No</boolean>
O=C1NC(=O)c2cc([N+](=O)[O-])ccc21
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCN1C=CN(C)C1 Toxic:
<boolean>No</boolean>
CCCCN1C=CN(C)C1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=S(=O)([O-])[S-] Toxic:
<boolean>No</boolean>
O=S(=O)([O-])[S-]
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O Toxic:
<boolean>No</boolean>
C=C1C[C@]23C[C@@]1(O)CC[C@H]2[C@@]12C=C[C@H](O)[C@@](C)(C(=O)O1)[C@H]2[C@@H]3C(=O)O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): N#CNC(=N)N Toxic:
<boolean>No</boolean>
N#CNC(=N)N
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): COC(=O)c1ccccc1C(=O)O Toxic:
<boolean>No</boolean>
COC(=O)c1ccccc1C(=O)O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCSCCCC Toxic:
<boolean>No</boolean>
CCCCSCCCC
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C=O)Cc1ccc(C(C)C)cc1 Toxic:
<boolean>No</boolean>
CC(C=O)Cc1ccc(C(C)C)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C=CCCCCCCCCC(=O)O Toxic:
<boolean>No</boolean>
C=CCCCCCCCCC(=O)O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O Toxic:
<boolean>No</boolean>
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C=COC(=O)C(C)(CC)CCC(C)C Toxic:
<boolean>No</boolean>
C=COC(=O)C(C)(CC)CCC(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1 Toxic:
<boolean>No</boolean>
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1 Toxic:
<boolean>No</boolean>
CCCOC(=O)Cc1ccc(OCC(=O)N(CC)CC)c(OC)c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCN(CC)C(C)=O Toxic:
<boolean>No</boolean>
CCN(CC)C(C)=O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12 Toxic:
<boolean>No</boolean>
C=C1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@H]12
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCCC1CCCC(=O)O1 Toxic:
<boolean>No</boolean>
CCCCCC1CCCC(=O)O1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C/C=C(C)/C=C/C=C(C)C Toxic:
<boolean>No</boolean>
C/C=C(C)/C=C/C=C(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCN(CC)c1ccccc1 Toxic:
<boolean>No</boolean>
CCN(CC)c1ccccc1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)OCC=Cc1ccccc1 Toxic:
<boolean>No</boolean>
CC(=O)OCC=Cc1ccccc1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)OCCc1ccccc1 Toxic:
<boolean>No</boolean>
CC(=O)OCCc1ccccc1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O Toxic:
<boolean>No</boolean>
Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=O
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): OCCOCCOCCOCCOCCO Toxic:
<boolean>No</boolean>
OCCOCCOCCOCCOCCO
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1 Toxic:
<boolean>No</boolean>
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCCCCCCCCCCN1CC(C)OC(C)C1 Toxic:
<boolean>No</boolean>
CCCCCCCCCCCCCN1CC(C)OC(C)C1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(O)CC(C)(C)O Toxic:
<boolean>No</boolean>
CC(O)CC(C)(C)O
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)C=CC1=C(C)CCCC1(C)C Toxic:
<boolean>No</boolean>
CC(=O)C=CC1=C(C)CCCC1(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): COc1ccc(Br)c(C)c1 Toxic:
<boolean>No</boolean>
COc1ccc(Br)c(C)c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCC(=O)OCCC(C)C Toxic:
<boolean>No</boolean>
CCCC(=O)OCCC(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C(O)CNCC(=O)O Toxic:
<boolean>No</boolean>
O=C(O)CNCC(=O)O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2 Toxic:
<boolean>No</boolean>
CC(C)[C@]12CC(=O)[C@H](C)[C@H]1C2
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC Toxic:
<boolean>No</boolean>
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC Toxic:
<boolean>No</boolean>
CCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCC
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O Toxic:
<boolean>No</boolean>
OC[C@H]1O[C@@H]2O[C@@H]3[C@@H](CO)O[C@H](O[C@@H]4[C@@H](CO)O[C@H](O[C@@H]5[C@@H](CO)O[C@H](O[C@@H]6[C@@H](CO)O[C@H](O[C@@H]7[C@@H](CO)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C1CCCO1 Toxic:
<boolean>No</boolean>
O=C1CCCO1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCC(CC)COS(=O)(=O)[O-] Toxic:
<boolean>No</boolean>
CCCCC(CC)COS(=O)(=O)[O-]
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C Toxic:
<boolean>No</boolean>
Cc1noc(NS(=O)(=O)c2ccc(N)cc2)c1C
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2] Toxic:
<boolean>No</boolean>
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Ba+2]
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): NN Toxic:
<boolean>No</boolean>
NN
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1 Toxic:
<boolean>No</boolean>
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1
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2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO Toxic:
<boolean>No</boolean>
O=c1n(CCO)c(=O)n(CCO)c(=O)n1CCO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCOC(=O)c1ccccc1O Toxic:
<boolean>No</boolean>
CCOC(=O)c1ccccc1O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): BrCCOc1ccccc1 Toxic:
<boolean>No</boolean>
BrCCOc1ccccc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO Toxic:
<boolean>No</boolean>
O=C([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC=CC(=O)N(CC)c1ccccc1C Toxic:
<boolean>No</boolean>
CC=CC(=O)N(CC)c1ccccc1C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)OCc1ccco1 Toxic:
<boolean>No</boolean>
CC(=O)OCc1ccco1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O Toxic:
<boolean>Yes</boolean>
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CCC2=O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1 Toxic:
<boolean>No</boolean>
CC(C)N(C(=O)COc1nnc(C(F)(F)F)s1)c1ccc(F)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)CC(C)(C)C1CCCCC1 Toxic:
<boolean>No</boolean>
CC(=O)CC(C)(C)C1CCCCC1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): ClC(Cl)(Cl)c1ccccc1 Toxic:
<boolean>No</boolean>
ClC(Cl)(Cl)c1ccccc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21 Toxic:
<boolean>No</boolean>
CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@H]1O[C@@H]21
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Cc1ccccc1[N+](=O)[O-] Toxic:
<boolean>No</boolean>
Cc1ccccc1[N+](=O)[O-]
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): ClC(Br)Br Toxic:
<boolean>No</boolean>
ClC(Br)Br
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(O)CO Toxic:
<boolean>No</boolean>
CC(O)CO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(C)(C)c1ccc(C=O)cc1 Toxic:
<boolean>No</boolean>
CC(C)(C)c1ccc(C=O)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): COP(=O)([O-])OC.Cn1cc[n+](C)c1 Toxic:
<boolean>No</boolean>
COP(=O)([O-])OC.Cn1cc[n+](C)c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): Cc1cc(Cl)ccc1N Toxic:
<boolean>No</boolean>
Cc1cc(Cl)ccc1N
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=S(=O)(O)CCCN1CCOCC1 Toxic:
<boolean>No</boolean>
O=S(=O)(O)CCCN1CCOCC1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O Toxic:
<boolean>No</boolean>
CC1(C)Oc2ccc(C#N)cc2[C@@H](N2CCCC2=O)[C@@H]1O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C=CC(=O)OC(C)(C)C Toxic:
<boolean>No</boolean>
C=CC(=O)OC(C)(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCCCCCCCCCCCCBr Toxic:
<boolean>No</boolean>
CCCCCCCCCCCCCCCBr
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCC#N Toxic:
<boolean>No</boolean>
CCCCC#N
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(CN)CC(C)(C)CCN Toxic:
<boolean>No</boolean>
CC(CN)CC(C)(C)CCN
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCOCCC(=O)OCC Toxic:
<boolean>No</boolean>
CCOCCC(=O)OCC
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=c1[nH]ncc2ccccc12 Toxic:
<boolean>No</boolean>
O=c1[nH]ncc2ccccc12
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): SCCSCCS Toxic:
<boolean>No</boolean>
SCCSCCS
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CC(=O)O[AlH3](O)OC(C)=O Toxic:
<boolean>No</boolean>
CC(=O)O[AlH3](O)OC(C)=O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): C[N+](C)(C)C Toxic:
<boolean>No</boolean>
C[N+](C)(C)C
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1 Toxic:
<boolean>No</boolean>
CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CSCCC=O Toxic:
<boolean>No</boolean>
CSCCC=O
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=C(O)c1ccccn1 Toxic:
<boolean>No</boolean>
O=C(O)c1ccccn1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): OCCSCSCCO Toxic:
<boolean>No</boolean>
OCCSCSCCO
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCc1cnc(C(=O)O)c(C(=O)O)c1 Toxic:
<boolean>No</boolean>
CCc1cnc(C(=O)O)c(C(=O)O)c1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): O=S(=O)(Cl)c1ccccc1 Toxic:
<boolean>No</boolean>
O=S(=O)(Cl)c1ccccc1
scaffold
2
smiles
You are an expert chemist, your task is to predict the property of molecule using your experienced chemical property prediction knowledge. Task Description: Given the Smiles string and molecular properties above, predict whether this molecule exhibits androgen receptor antagonist activity (Yes) or not (No). Consider all molecular properties provided to assess the compound's potential and its interaction with the androgen receptor. You are also provided with an image for the target molecule which you need to take in account for analysis like a chemist does and provide the final conclusion considering the image as well. Target Molecule (Smiles): CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 Toxic:
<boolean>No</boolean>
CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1
scaffold
2
smiles
End of preview. Expand in Data Studio

Tox21-V-SMILES Train Dataset

Dataset Description

This dataset contains molecular data with visual representations for Tox21 related compounds.

Features

  • Question: Question related to the molecule
  • Answer: Corresponding answer
  • TargetMolecule: SMILES representation of the target molecule
  • SampleMethod: Method used for sampling
  • SampleNum: Sample number
  • SampleRep: Sample repetition
  • image: Generated molecular structure image from SMILES

Dataset Statistics

  • Total samples: 6265
  • Image format: PIL Image (RGB)
  • Image size: 300x300 pixels

Usage

from datasets import load_dataset

dataset = load_dataset("molvision/Tox21-V-SMILES-0")

Data Fields

  • Question (string): Question text
  • Answer (string): Answer text
  • TargetMolecule (string): SMILES representation
  • SampleMethod (string): Sampling method
  • SampleNum (int): Sample number
  • SampleRep (string): Sample repetition
  • image (PIL.Image): Molecular structure visualization

Citation

Please cite this dataset if you use it in your research.

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