task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+][C@@H](c1ncc[nH]1)[C@@H]1CCOC2(CCC2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COC(=O)[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cnc(S(C)(=O)=O)n1[9*]
Fragment 2: [5*]N1CCOCC1
### Response:
CC(C)Cn1c(C[NH+]2CCC([C@@H](C)N3CCOCC3)CC2)cnc1S(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCOc1ccc([C@@H](NC(=O)[C@@H]2CCO[C@@H]2C)c2ccccc2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(-c2ccc(F)cc2)c2[nH]c(=O)c(C[NH2+]CCC[NH+]3CCCCCC3)cc12
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nc2ccc(NC(=O)NC3CCN(c4cccc[nH+]4)CC3)cc2o1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Fc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)cc(cc1)F
### Response:
O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1cc(F)ccc1F |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1cccc(OC)n1
Fragment 2: [3*]Oc1ccc(C)cc1OC
### Response:
COc1cccc(C(=O)Oc2ccc(C)cc2OC)n1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12ccc(C=C)cc1c(c(C#N)c(n2)C(F)(F)F)N
### Response:
C=Cc1ccc2nc(C(F)(F)F)c(C#N)c(N)c2c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)CCCn2ccnn2)C1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCC(CC1)(NC(=O)c1cnn(C(C)C)c1)c1ccc(OC)cc1
### Response:
COc1ccc(C2(NC(=O)c3cnn(C(C)C)c3)CCCCC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@]1(CO)CCC[NH+](Cc2ccsc2)C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1cccc(c1C)-n1c2c(cn1)c(O)nc(n2)SCC(=O)N
### Response:
Cc1cccc(-n2ncc3c(O)nc(SCC(N)=O)nc32)c1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCc1cc(NC(=O)C(=O)N2CCN(c3cccc(C)c3)CC2)n(C)n1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCC1C[NH+]1CC[C@H](NC(=O)[C@H]2CN(C(=O)C2)C(C)C)C1
### Response:
CC(C)N1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)CC1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC1([C@@H](C(=O)C(O1)(C)C)C[NH+]1CC[C@H](CCC1)CC)C
### Response:
CC[C@H]1CCC[NH+](C[C@@H]2C(=O)C(C)(C)OC2(C)C)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C(=O)c2cccc(S(=O)(=O)C)c2)[C@@H](C1)c1n2CCCCCc2nn1
### Response:
CS(=O)(=O)c1cccc(C(=O)N2CCC[C@H]2c2nnc3n2CCCCC3)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(c(C)cc(c2)C)[C@@H]([NH2+][C@H](c2cn(C)nc2)CO)CCO1
### Response:
Cc1cc(C)c2c(c1)OCC[C@@H]2[NH2+][C@@H](CO)c1cnn(C)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cn1c(=O)n(C)c2cc(C(=O)N3CCC[C@@H](n4nc(-c5ccco5)ccc4=O)C3)ccc21
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [15*]C1CCOCC1
Fragment 2: [5*]N(C)C1CC[NH+]([5*])CC1
### Response:
C[C@@H]1CCC[C@@H](C(=O)N(C)C2CC[NH+](C3CCOCC3)CC2)C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(C(=O)[C@@H](C#N)c2nc(C(C)C)cs2)cc1C
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H]1NC(=O)[C@H](C)N(c2cccnc2C)C1=O
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC[C@H](C)[C@@H](CO)c1ccccc1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCC[NH+]1CCC(NC(=O)c2c(C)nn(CCCl)c2C)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[NH2+][C@H](C[C@H](O)c2ccc(OC)cc2)C1
### Response:
COc1ccc([C@@H](O)C[C@@H]2CCCC[NH2+]2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOC(=O)/C(C#N)=C/c1ccc(-c2cc([N+](=O)[O-])ccc2OC)o1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@@H]1CC(=O)N(Cc2ccc(/C=C/C(=O)[O-])cc2)C1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N1CCC[C@@H](C1)C(=O)NCCCC)C(C)(C)CC(C)C
### Response:
CCCCNC(=O)[C@H]1CCCN(C(=O)C(C)(C)CC(C)C)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[NH+]1CCS(=O)(=O)CC1)N/N=C/c1cccs1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc2c(cc1)n(CC(N1CCC(c3n(C)cnn3)CC1)=O)c(=O)o2
### Response:
Cn1cnnc1C1CCN(C(=O)Cn2c(=O)oc3ccccc32)CC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@@H]1C[C@H](C)CN(C(=O)COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)NNC(=O)c1ccc(Cl)cc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21
Fragment 2: [5*]Nc1ccccc1SC
### Response:
CSc1ccccc1NC(=O)[C@@H]1O[C@H]2OC(C)(C)O[C@@H]2[C@H]2OC(C)(C)O[C@@H]21 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccccc3)c2C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)Cc1cccc(F)c1F
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH2+]Cc1cncc(N2CC[C@H](C)C2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CCO)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOc1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCN(C(=O)Cc1csc(-c2ccccc2Cl)n1)[C@H]1CCS(=O)(=O)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1/C(=N/C(=O)CCC(=O)[O-])S[C@H]2CS(=O)(=O)C[C@@H]21
Fragment 2: [16*]c1ccc2c(c1)OCO2
### Response:
O=C([O-])CCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc2c(c1)OCO2 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CC(C)(C)N1C[C@@H](C(=O)N2CCC(C(=O)N(CC#N)CC#N)CC2)CC1=O
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cc1ccccc1F)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(=O)c2nc(C[NH+]3CCC[C@H]3CC(C)(C)C)[nH]c2n(C)c1=O
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCC(Nc2ccc3c(c2)CCN3S(C)(=O)=O)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C1CCN(CC1)C(c1nc2c(cc1)cccc2)=O)N1CCCCCC1
### Response:
O=C(c1ccc2ccccc2n1)N1CCC(C(=O)N2CCCCCC2)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2ccccc2c1
Fragment 2: [4*]Cc1ccccc1
### Response:
O=C(Cc1ccc2ccccc2c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C1[C@H](NCc2nnc3n2CCCC3)CCN1c1ccccc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCSc1nc2c(c(=O)[nH]c(=O)n2C)n1CC
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)(OC(N[C@H](C(N[C@@H]1CCc2c(Br)cccc21)=O)c1ccccc1)=O)C
### Response:
CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H]1CCc2c(Br)cccc21)c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1cc(C[NH+]2CCC(c3cnn(C)c3)CC2)ccc1Oc1cccnc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](C(=O)N(C)CC(=O)Nc1ccc([S@@](C)=O)cc1)n1cccn1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Nc1ccccc1C[NH+]1CCSCC1)[C@@H]1C[C@H]1[N+](=O)[O-]
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#Cc1cccc(N(CC(=O)NC)C(=O)c2ccco2)c1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CSC[C@H](C)NC(=O)Nc1ccc(C)c(F)c1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Nc1cc(F)c(O[C@H]2CCO[C@@]3(CCOC3)C2)cc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COC(=O)c1ccc(CN(C)C(=O)Nc2cc(C#N)ccc2Cl)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cccc2sc(NC(=O)c3cccc(C)c3)nc12
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)NC(=O)c1ccccc1C
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCCC1
Fragment 2: [1*]C(=O)c1cccc(S([12*])(=O)=O)c1
### Response:
CCCc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C)C(=O)[C@@H]1CCCN1C(=O)Cn1ccccc1=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnc(cc1C(=O)N1CCOc2cc(F)ccc12)OC1CCC1
### Response:
O=C(c1ccnc(OC2CCC2)c1)N1CCOc2cc(F)ccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(CCSCC1)c1c(cc(cc1)NC(=O)c1ccc(C(=O)N)cc1)Cl
### Response:
NC(=O)c1ccc(C(=O)Nc2ccc(N3CCSCC3)c(Cl)c2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1ccc(N2CCCCCC2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)N(Cc1ccco1)C[C@H]1CCCO1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](NC(=O)Cc2ccccc2Cl)CN1c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[NH+](C)C1CCN(c2ccc(NC(=O)CCCn3ccnn3)cc2F)CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1(C(CSC1)=O)CC(NC1CCCCC1)=O
### Response:
O=C(CN1CSCC1=O)NC1CCCCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)[NH+]1CCN(CC(=O)Nc2ccccc2Br)CC1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1c(OC)c2C(O[C@@H]([C@H]3c4cc5c(cc4CCN3C)OCO5)c2cc1)=O
### Response:
COc1ccc2c(c1OC)C(=O)O[C@H]2[C@H]1c2cc3c(cc2CCN1C)OCO3 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(Nc1ccc(C(=O)OC[C@@H]2CCC[NH+]3CCCC[C@@H]23)cc1)c1ccc([N+](=O)[O-])cc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)CN1C(=O)/C(=C2/SC(=S)N(C3CCCCC3)C2=O)c2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[NH2+][C@@H](Cc1cccs1)[C@H]1CCC[C@H](S(C)(=O)=O)C1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)Oc1ccc(C(=O)NNC(=O)c2cccnc2)cc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(Cc1cccs1)N[C@@H](c1ccc(Cl)cc1)C1CC1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a amide group?
O=C(NCc1cc2ccccc2o1)Nc1cccnc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(Nn1cnc2n(C(C)(C)C)ncc2c1=O)CC1CCCCC1
### Response:
CC(C)(C)n1ncc2c(=O)n(NC(=O)CC3CCCCC3)cnc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1c(=O)c2cc(C(=O)N[C@H]3CCOc4ccccc43)cnc2n(C)c1=O
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cn1cccc1C(=O)NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](Cl)c1ccc(OC)c(Cl)c1
Fragment 2: [16*]c1ccc(OC)c(Cl)c1
### Response:
COc1ccc([C@@H](Cl)[C@@]2(C)CCCO2)cc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CC[C@@H]([15*])C1
Fragment 2: [8*]CC(C)C
### Response:
CC(C)CNC(=O)[C@H](C)[NH+]1CC[C@@H](CC(C)C)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(n(CCCNC(C[C@H](C)c2ccccc2C)=O)cccc1)=O
### Response:
Cc1ccccc1[C@@H](C)CC(=O)NCCCn1ccccc1=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC1COC1)(c1ccc(N)cc1)=O
### Response:
Nc1ccc(C(=O)NC2COC2)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc(C)cc1
Fragment 2: [10*]N1C(=O)c2ccc(C)cc2C1=O
### Response:
Cc1ccc(CNC(=O)CCCN2C(=O)c3ccc(C)cc3C2=O)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(C[NH2+]CC(C)(C)S(C)(=O)=O)c1O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@H]1C(=O)N(c2ccccc2Cl)CCN1C(=O)C1CC1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1oc(C)c([C@@H]([NH3+])c2ccc(Br)c3ccccc23)c1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+](C)C[C@H]1CCN(C(=O)c2ccnc(OC(C)(C)C)c2)C1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH2+]CC1([15*])CCCCC1
Fragment 2: [4*]CC1([15*])CCCCC1
### Response:
C[C@@H]([NH2+]CC1(CCO)CCCCC1)c1cccnc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12cccn2CCN(C(=O)c2ccncc2)[C@H]1c1ccccc1
### Response:
O=C(c1ccncc1)N1CCn2cccc2[C@@H]1c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C(Cn1cccc(C(F)(F)F)c1=O)N1CCC[C@@H]2CCCC[C@@H]21
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cn1c(CC[NH2+][C@H]2[C@H](CCCC2)[C@H]2[NH2+]CCC2)nnc1
### Response:
Cn1cnnc1CC[NH2+][C@@H]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CCC(N1CCC[C@H]2[C@H]1CC[C@@H](C2)C)=O)c1ccccn1
### Response:
C[C@H]1CC[C@@H]2[C@H](CCCN2C(=O)CCCc2ccccn2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1c(N)n([9*])c2nc3ccccc3nc12
Fragment 2: [5*]NCCCC
### Response:
CCCCNC(=O)c1c(N)n(-c2ccc(Br)cc2)c2nc3ccccc3nc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(OCC)c(NC(=O)CN2c3c(O[C@H](C2)C)ccc(Cl)c3)ccc1
### Response:
CCOc1ccccc1NC(=O)CN1C[C@H](C)Oc2ccc(Cl)cc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1[C@H](CC(=O)Nc2ccc(cc2)F)n2nc(CC)c(-c3ccc(cc3)Cl)c2N1
### Response:
CCc1nn2c(c1-c1ccc(Cl)cc1)NC(=O)[C@@H]2CC(=O)Nc1ccc(F)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[C@@H](C(=O)NCc1ccccc1F)C1CCN(C(=O)c2ccc3nc(-c4ccccc4)oc3c2)CC1
### Response:
No |
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