Split (3)

train · 2.96M rows

input stringlengths 428 39.1k	output stringclasses 2 values
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(N2Cc3ccc(Sc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@@H](Cn1c(=O)cnc2ccc(F)cc21)C1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(NC1COc2cccc(-c3ccnc(CO)c3)c2C1)c1ccc(OCC(F)(F)F)nc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[N+]1CC[N+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(C2CCOCC2)n1C)CC3</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc(OC2CN(C(=O)NC3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)C2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(F)cc2F)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(O)c1nc2cc(Cl)ccc2n1[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1NC(=O)/C(=C\c2ccccc2OCc2nnc(-c3ccccc3)o2)S1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(O[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2nc3cc(F)ccc3s2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#CC=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>FC(F)(F)c1ccccc1CN(C1CCOCC1)C1CCNC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(CC)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(C(C)(C)C(N)=O)CC1(F)F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CNC1=O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)C1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(F)cc1COC1CCc2ccc(N3CCNCC3C)nc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CCc1ccccn1)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1c(C#N)cccc1[C@H]1CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)C[C@H]2CO1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)NC1CCC(C(C)C(N)C(=O)N2CCC(F)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Nc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2nc3ccc(F)cc3s2)[C@H](C)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CNC1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(-c2cn(C3C[C@@H](C(C)(C)C)CCN(CC45CC6CC(CC(C6)C4)C5)C3=O)nn2)ccc1-n1cnc(C)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COCCOc1ccc2c(c1)Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc2c(-c3nnc(SCCCN4CCc5c(Cl)cc6oc(C)nc6c5CC4)n3C)cccc2n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1NCCN1CC[NH+]1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CNc1ccc(/C=C/c2c(F)cccc2F)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(O)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)cccc2n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3cccc(F)c3)c2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)CC2c2ccc(F)cc2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=S(=O)(c1ccc(F)cc1)c1ccc(C=Cc2ccc(F)cc2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(Cn2cncc2C[N+]C2CCN(C(=O)c3cccc(Cl)c3)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn[nH]c1C1CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1ccc2cc(CO[C@H]3CCNC3)ccc2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1C(=O)OCc1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1ccc(-c2cnc(Nc3cc(CN4CCCC4)ccn3)s2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC1Cc2c([nH]c3cc(Cl)ccc23)C2(N1)C(=O)Nc1ccc(Cl)cc12</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=c1cc[nH+]c(NCC2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3c(O)cccc32)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC1COCCC1NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(C(=O)c3cccnc3[O-])C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC[C@H](C)[C@H](C(=O)O)N1CC(CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC(=O)N1CC[C@H](N(Cc2cccc(F)c2F)c2ccc(C#N)c(Cl)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCCCCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCCN(CC)CC#Cc1ccc(C)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(C(=O)Cc1ccc(OC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)c1noc(N2CCN(c3ncc(OCc4ccc(S(C)(=O)=O)cc4F)cn3)[C@H](C)C2)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@H](C(=O)N1CCCC1)C1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CC(F)(F)F)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C=S(=O)(NC)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C#CC1(O)CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@@H](OC1CCC2NC1(c1ccccc1)CC2c1nnn(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C(#Cc1cc(-c2n[nH]c3c2Cc2cc(Cn4ccnc4)ccc2-3)cs1)COc1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCn1cc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)C1=C(CN2CCOC(CCC(=O)O)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(F)cc54)CC3)nc2cc1Cl</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1cn(C2CCCCC2)nc1OCCN1CCOCC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>

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input stringlengths 428 39.1k	output stringclasses 2 values
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(N2Cc3ccc(Sc4ccc(F)cc4)nc3C2=O)ccc1OCCN1CCCC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)[C@H]1CC[C@@H](N2CC(NC(=O)CNc3nn(C(N)=O)c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@@H](Cn1c(=O)cnc2ccc(F)cc21)C1CCC(NCc2ccc3c(n2)NC(=O)CO3)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(NC1COc2cccc(-c3ccnc(CO)c3)c2C1)c1ccc(OCC(F)(F)F)nc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[N+]1CC[N+](CCCN2c3ccccc3Sc3ccc(Cl)cc32)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)SC1CC2=CC(=O)CCC2(C)C2CCC3(C)C(CCC34CCC(=O)O4)C12</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C)Cc1ccccc1-c1ccc(NC(=O)Nc2cccnc2Oc2ccccc2C(C)(C)C)c(F)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N(C)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cccc(-n2cc3nc(-c4ccccc4C)n(CC4CCCN(C(C)C)C4)c(=O)c3n2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1nc2cc3c(cc2o1)CCN(CCCSc1nnc(C2CCOCC2)n1C)CC3</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc(OC2CN(C(=O)NC3CCN(Cc4ccn(-c5ccc(C(F)(F)F)cc5)c4)CC3)C2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=S(=O)(c1ccc(F)cc1)N1CCN(CCc2ccc(F)cc2F)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(O)c1nc2cc(Cl)ccc2n1[C@H]1CC[C@@H](NC[C@H]2Cc3ccc(C#N)cc3C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CCN(CCC2CCN(C(=O)c3ccccc3F)CC2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(CN2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1NC(=O)/C(=C\c2ccccc2OCc2nnc(-c3ccccc3)o2)S1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>OC(c1ccccc1)(c1ccccc1)C1CCN(CCCOc2ccc(-c3ccccc3)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(O[C@H](CCCCNCc2ccc(F)cc2)C(=O)NO)cc(C)c1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C(=O)Cc1ccc(-n2cnnn2)cc1)C1CCN(Cc2nc3cc(F)ccc3s2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#CC=C1CCN(c2ccc(N3C[C@H](Cn4cc(F)nn4)OC3=O)cc2F)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCCCC5)C[C@H]4c4ccccc4)CC3)cc2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>FC(F)(F)c1ccccc1CN(C1CCOCC1)C1CCNC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccccc1C(=O)N(CC1CCC1)[C@H]1CCNC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=[N+]([O-])c1cn2c(n1)OC[C@H](Oc1ccc(OC(F)(F)F)cc1)C2</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(CC)CCN1CCCc2cc(NC(=N)c3cccs3)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@H]1[C@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)[C@@H]2[C@@H](C)OC(=O)[C@]2(C(C)(C)C(N)=O)CC1(F)F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@@H]1C[C@H](O[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2)CNC1=O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC(c2ccc(Cl)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)C1CCC(N2CC(NC(=O)CNc3n[nH]c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O[C@H](COc1ccc(F)cc1)CN1CCN(Cc2ccc(Cl)c(Cl)c2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(F)cc1COC1CCc2ccc(N3CCNCC3C)nc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)Cc3ccc(F)cc3)CC2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CCc1ccccn1)N[C@H]1CC[C@H](c2ccc(O)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1c(C#N)cccc1[C@H]1CN2CCN(C(=O)Cc3ccc(-n4cnnn4)nc3)C[C@H]2CO1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(Cc1ccccc1)NC1CCN(CCCN2C(=O)COc3ccccc32)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)NC1CCC(C(C)C(N)C(=O)N2CCC(F)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Nc1nc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc2o1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN1CCN(CC(=O)Nc2ccc(-c3cccc4c(=O)cc(N5CCOCC5)oc34)c3sc4ccccc4c23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc(Cl)nnc1N1CCN(C(=O)Nc2nc3ccc(F)cc3s2)[C@H](C)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(Nc1ccc(F)cn1)[C@H](CN1CC(O)C1)Oc1ncnc2c1cnn2-c1c(F)cccc1Cl</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CNC1CCC(c2c[nH]c3ccc(NC(=N)c4cccs4)cc23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCCN3CCCC3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(-c2cn(C3C[C@@H](C(C)(C)C)CCN(CC45CC6CC(CC(C6)C4)C5)C3=O)nn2)ccc1-n1cnc(C)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COCCOc1ccc2c(c1)Cc1c-2n[nH]c1-c1csc(C#CCOc2ccccc2)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc2c(-c3nnc(SCCCN4CCc5c(Cl)cc6oc(C)nc6c5CC4)n3C)cccc2n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1NCCN1CC[NH+]1CCC(c2cn(C3CCCCC3)c3ccc(Cl)cc23)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc(C2(O)CCC(N3CC(NC(=O)CNc4noc5ccc(C(F)(F)F)cc45)C3)CC2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CNc1ccc(/C=C/c2c(F)cccc2F)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)N1Cc2cc(Cl)ccc2-n2c(nnc2C2CCN(c3ccccn3)CC2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(O)c1nc(-c2ccc(OC(F)(F)F)cc2)c[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)on6)cc5CC4)n3C)cccc2n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1ccc2c(-n3cnc(C)c3)nc(C#N)c(-c3cccc(F)c3)c2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)CC2c2ccc(F)cc2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=S(=O)(c1ccc(F)cc1)c1ccc(C=Cc2ccc(F)cc2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(Cn2cncc2C[N+]C2CCN(C(=O)c3cccc(Cl)c3)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1nc(COc2nc(N)nc3ccn(Cc4ccccn4)c23)no1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(NC[C@@H](O)CN1CCC(Oc2ccc(Cl)c(Cl)c2)CC1)c1cn[nH]c1C1CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1ccc2cc(CO[C@H]3CCNC3)ccc2c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@H]1CN(c2ccc(C(=O)Nc3ccccc3N)cn2)CCN1C(=O)OCc1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1ccc(-c2cnc(Nc3cc(CN4CCCC4)ccn3)s2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC1Cc2c([nH]c3cc(Cl)ccc23)C2(N1)C(=O)Nc1ccc(Cl)cc12</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=c1cc[nH+]c(NCC2CCN(c3nc4ccccc4n3Cc3ccc(F)cc3)CC2)[nH]1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3cccc(F)c3)cc(-c3ccc4c(c3)OCO4)c2)c1CCC(=O)O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)(C)OCC1C(=O)NCCN1C(=O)CC(N)Cc1cc(F)c(F)cc1F</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCN2CC[C@]3(C[C@H]3c3ccc(C(F)(F)F)cc3)C2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(CC)C(=O)c1ccc(C2=CC3(CCNCC3)Oc3c(O)cccc32)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC1COCCC1NC1CCC(C(=O)N2CCN(c3cc(C(F)(F)F)ncn3)CC2)(C(C)C)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(C(=O)c3cccnc3[O-])C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC[C@H](C)[C@H](C(=O)O)N1CC(CN2CCC(c3cc(Cc4ccc(C(C)C)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C(CCCN1CCC(O)(c2ccccc2)CC1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COC(=O)N1CC[C@H](N(Cc2cccc(F)c2F)c2ccc(C#N)c(Cl)c2)C1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCCCCCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCCN(CC)CC#Cc1ccc(C)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCN(C(=O)Cc1ccc(OC)cc1)[C@@H]1C[C@@H]2CC[C@H](C1)N2CC[C@H](NC(=O)C1CCC1)c1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(C)c1noc(N2CCN(c3ncc(OCc4ccc(S(C)(=O)=O)cc4F)cn3)[C@H](C)C2)n1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1NC(=O)CCN1CCN(C)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>N[C@H](C(=O)N1CCCC1)C1CCC(NS(=O)(=O)c2ccc(NS(=O)(=O)CC(F)(F)F)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cccc(C)c1OCC(=O)NC(Cc1ccccc1)C(O)CC(Cc1ccccc1)NC(=O)C(C(C)C)N1CCCNC1=O</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C=S(=O)(NC)c1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C#CC1(O)CCC(N2CC(NC(=O)CNc3nn(C)c4ccc(C(F)(F)F)cc34)C2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C[C@@H](OC1CCC2NC1(c1ccccc1)CC2c1nnn(C)n1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CN(C)CCCn1nc(-c2cnc3[nH]cc(C(=O)NC(C)(C)C)c3n2)c2cc(OC(F)F)ccc21</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>C(#Cc1cc(-c2n[nH]c3c2Cc2cc(Cn4ccnc4)ccc2-3)cs1)COc1ccccc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCn1cc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cn1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>CCOC(=O)C1=C(CN2CCOC(CCC(=O)O)C2)NC(c2nccs2)=NC1c1ccc(F)cc1Br</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1cc2[nH]c(C3CCN(CCn4c(=O)ccc5ncc(F)cc54)CC3)nc2cc1Cl</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>c1cn(C2CCCCC2)nc1OCCN1CCOCC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (A)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCCN2CCc3cc4nc(C(F)(F)C(F)(F)F)oc4cc3CC2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@@H]3c3ccc(C(F)(F)F)cc3F)C2)n1C</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>
<\|im_start\|>user Instructions: Answer the following question about drug properties. Context: Human ether-à-go-go related gene (hERG) is crucial for the coordination of the heart's beating. Thus, if a drug blocks the hERG, it could lead to severe adverse effects. Therefore, reliable prediction of hERG liability in the early stages of drug design is quite important to reduce the risk of cardiotoxicity-related attritions in the later development stages. Question: Given a drug SMILES string, predict whether it (A) does not inhibit hERG (B) inhibits hERG Drug SMILES: <SMILES>O=C1CCCN1C1CCN(CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1</SMILES> Answer:<\|im_end\|> <\|im_start\|>assistant	<think> </think> (B)<\|im_end\|>