task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
N#Cc1ccc(C(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [1*]C(=O)c1ccc([16*])cc1
### Response:
COC(=O)[C@H]1[C@@H](c2ccccc2)N1C(=O)c1ccc(-c2ccccc2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C([O-])C1(Cc2cc(F)cc(Br)c2)CCCCCC1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1N
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCn1c(Cc2ccccc2)nnc1SCC(=O)N1CCC[C@@H](C)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@@H](C)N[5*]
Fragment 2: [5*]Nc1cc([N+](=O)[O-])ccc1C
### Response:
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccc(C)n1
Fragment 2: [5*]N([5*])CC
### Response:
CCN(Cc1cccc(C)n1)[C@@H](C[NH3+])C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](OCC1)c1sc(C(N[C@H](Cc2cccc(c2)F)C)=O)cn1
### Response:
C[C@@H](Cc1cccc(F)c1)NC(=O)c1cnc([C@H]2CCCO2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1noc(C)c1CC(=O)NCc1nnc2n1CCCC2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(scc(n1)COC(=O)c1[nH]nc(-c2ccc(cc2)Br)c1)CC
### Response:
CCc1nc(COC(=O)c2cc(-c3ccc(Br)cc3)n[nH]2)cs1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1ccccc1F
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nn(C)cc1CNC(=O)N1CC[C@H](C)C[C@H](C)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](NC(=O)C[C@H](O)c1ccccc1)C(=O)N1CCCC[C@@H]1C
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc2c(NNC(=O)c3c(O)cccc3O)ccnc2c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1c(C(=O)/C=C/c2ccc(NC(C)=O)cc2)oc2ccccc12
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=c1sc([nH+]c2c1cccc2)Nc1ccc(cc1)C
### Response:
Cc1ccc(Nc2[nH+]c3ccccc3c(=O)s2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12S[C@@H](C(=O)N3CCOCC3)[C@@H](c3ccc(cc3)OCC)Nn2c(nn1)-c1ccccc1
### Response:
CCOc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S[C@H]2C(=O)N2CCOCC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cc1ccc2cc(C#N)c(SCC(=O)Nc3c(C)cccc3C)nc2c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCOC(=O)Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](C(=O)Nc1ccccc1Cl)n1cc(Br)cn1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1cc(C)c(S(=O)(=O)N[C@@H](C#N)c2ccccc2F)cc1OC
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CC(=O)Nc1ccc(C(=O)/C=C2\NCCc3cc4c(cc32)OCO4)cc1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
N#C/C(=C\c1ccccc1OCc1cccnc1)C(=O)NCc1ccccc1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1
Fragment 2: [6*]C(=O)OC
### Response:
COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](C)N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCOCC1
Fragment 2: [1*]C(=O)[C@@H]1COc2ccc(F)cc2C1
### Response:
O=C(Nc1cccc(N2CCOCC2)c1)[C@@H]1COc2ccc(F)cc2C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cccc(S(=O)(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COc1ccc([C@@H]2CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2)c(OC)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
s1c(ccc1)C[C@@H](C)N(C(Nc1c(cccc1)N(C)C)=O)C
### Response:
C[C@H](Cc1cccs1)N(C)C(=O)Nc1ccccc1N(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+](CC)CC1
Fragment 2: [15*]C1CCCC1
### Response:
CCCC[C@@H](c1nnnn1C1CCCC1)N1CC[NH+](CC)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1[nH]c2ccccc2c1[16*]
Fragment 2: [16*]c1ccc(F)cc1
### Response:
CC[C@@H](C)NC(=O)Nc1c(-c2ccc(F)cc2)[nH]c2ccccc12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)Cc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)n(C)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC[NH+](C)C(C)(C)C1
Fragment 2: [4*]Cc1cc(NC)cc[nH+]1
### Response:
CNc1cc[nH+]c(CN2CC[NH+](C)C(C)(C)C2)c1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
COc1c([C@H](O)Cc2nc3ccccc3s2)c(C)nn1C
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OC
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(CC1CCOCC=1)N[C@@H]1C[NH+](CC1)C1CC1
### Response:
C1=C(CCN[C@H]2CC[NH+](C3CC3)C2)CCOC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([N+](=O)[O-])cc1
Fragment 2: [5*][NH+]1CCC[C@H]([15*])C1
### Response:
NC(=O)[C@H]1CCC[NH+](CCCNc2ccc([N+](=O)[O-])cc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](CO)c1ccccc1F
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1n[nH]c([14*])n1
Fragment 2: [8*]Cc1nc([14*])n[nH]1
### Response:
[NH3+]CCc1n[nH]c(Cc2ccc([N+](=O)[O-])cc2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1[nH]nc(CN2CCN(c3cc(F)ccc3F)CC2)[nH]1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[NH2+][C@@H](c1cccc(OC)c1)C(OC)OC
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12[C@@H](NC(Nc3cc(c([S@](=O)C)cc3)F)=O)CCc2cccc1
### Response:
C[S@@](=O)c1ccc(NC(=O)N[C@H]2CCc3ccccc32)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(ccc1NC(=O)Cn1c2c(cccc2c(C)cc1=O)C)OC)Cl
### Response:
COc1ccc(NC(=O)Cn2c(=O)cc(C)c3cccc(C)c32)cc1Cl |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([N+]([O-])=O)ccc(cc1)-n1nc(c(/C=[NH+]\CCN2CC[NH2+]CC2)c1O)-c1ccccc1
### Response:
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)c(/C=[NH+]\CCN3CC[NH2+]CC3)c2O)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCSc1c(C(=O)Nc2cc(ccc2C)C(N)=O)cc(cc1)Cl
### Response:
CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(N)=O)ccc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC
### Response:
5 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
C=CCOCCCC(=O)N1CCO[C@H](c2ccccc2F)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)N=[N+]=[N-]
Fragment 2: [16*]c1ccc2sccc2c1
### Response:
[N-]=[N+]=NC(=O)c1ccc2sccc2c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)OC(=O)N1CCOC2(C[NH2+]C2)C1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1n[nH]c(C)n1
Fragment 2: [4*][C@H](C)C(=O)OC
### Response:
COC(=O)[C@@H](C)Oc1ccc(C[NH+]2CCC(c3n[nH]c(C)n3)CC2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
CS(=O)(=O)/N=C(\[O-])[C@H]1CCCN1C(=O)c1ccc2c(c1)OCO2
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1ccc(-c2ccc([C@@H]3C(C#N)=C(N)Oc4[nH]c(=S)[nH]c(=O)c43)o2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(c1ccc[n+]([O-])c1)N1CC[C@H](Nc2ccccc2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)n(CC(=O)N(CC2CC[NH+](C3CCCC3)CC2)C[C@H]2CCCO2)n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Cn1cc(C2CC2)nn1)NC1c2ccccc2Oc2ccccc21
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC1(C)[C@H](NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)[C@H]2CCO[C@@H]21
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCC[C@@H](O)C1CC1)c1cc(=O)c2ccccc2o1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CN2CCOC[C@H]2C(N)=O)cc1[N+](=O)[O-]
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CCn1cncn1)Nc1ccnn1Cc1ccccc1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CC(C)(C)Cc1nnc(NC(=O)CS(=O)(=O)c2ccccc2)s1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc([C@@H]2COCCN2Cc2nc(CCC(C)C)no2)o1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc([O-])nn1
Fragment 2: [14*]c1cccs1
### Response:
O=C(Nc1ccc(Sc2cccs2)cn1)c1ccc([O-])nn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(c(cnc1)C#CC[NH3+])C(N[C@@H](C)CCC(C)C)=O
### Response:
CC(C)CC[C@H](C)NC(=O)c1ccncc1C#CC[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ncc(C)s1
Fragment 2: [4*]Cc1ncc(C)s1
### Response:
Cc1cnc(CNC(=O)N2CCC(CN3CCOCC3)CC2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1cc(NC(=O)c2cn(C)nc2C(C)(C)C)c(F)cc1F
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NCCC)([C@H]1CCCN(C(=O)N[C@H]2C[C@@](C2(C)C)(C)OC)C1)=O
### Response:
CCCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2C[C@@](C)(OC)C2(C)C)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1[nH]ncc1CC
Fragment 2: [4*]Cc1cccn1[9*]
### Response:
CCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2-c2nccs2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NC(C)(C)C
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(Cc1ccc(cc1)OC(C)C)NC(=O)Nc1noc(C)c1
### Response:
Cc1cc(NC(=O)NCCc2ccc(OC(C)C)cc2)no1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1c(N2C(=O)/C(=C\c3ccc4c(c3)C[C@@H](C)O4)SC2=S)c(=O)n(-c2ccccc2)n1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)c(C)s2)no1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(CCC[NH+]1CCCCS(=O)(=O)C)Cc1cc2ccccc2cc1
### Response:
CS(=O)(=O)CCCC[NH+]1CCC[C@@H]1Cc1ccc2ccccc2c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(C(NCc2ccco2)=O)CCN(c2cnnc(c2Cl)[O-])C1
### Response:
O=C(NCc1ccco1)C1CCN(c2cnnc([O-])c2Cl)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O[C@H](CC1CCCCC1)c1ccc(F)cn1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(=O)Nc1cccc(-c2nc(-c3ccc4ncn(C(C)C)c4c3)no2)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(C#N)c(N)c1
Fragment 2: [3*]OCC[4*]
### Response:
N#Cc1ccc(NCCOc2ccccc2)cc1N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](Cc1ccsc1)N(C)C(=O)Nc1c(F)cc(F)cc1F
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C)c1ccc2nc([C@H]([NH3+])CO)[nH]c2n1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CSc1nc2ccccc2o1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C[4*]
Fragment 2: [16*]c1ccc(F)c(C)c1
### Response:
Cc1cc(-n2c(SCC(=O)N3CCCC[C@H]3C)nc3ccsc3c2=O)ccc1F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1CN(CC(=O)N(CCC(N)=O)c2ccc(F)cc2)C(C)(C)CO1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ncccn1
Fragment 2: [1*]C(=O)c1csc([14*])n1
### Response:
O=C(Nc1ccccc1)c1csc(Nc2ncccn2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [4*]CC[NH+]1CCN([5*])CC1
### Response:
c1ccc(OCC[NH+]2CCN(c3ccccc3)CC2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC[NH2+]C[C@]1(c2ccccc2OC)CC[C@H]1C
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH2+]C[C@H](Cc1nc(C)cs1)c1ccccc1F
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C#CCn1/c(=N/S(=O)(=O)c2ccc(C)cc2)sc2cccc(F)c21
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(C)(=O)=O
Fragment 2: [5*]N(C)C
### Response:
CCN(c1ccc(C(=O)N(C)C)cc1)S(C)(=O)=O |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CN(C)S(=O)(=O)c1ccc(NC(=O)C(C)(C)C)cc1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*][C@@H]([8*])[C@@]1(C)CCCO1
### Response:
CCC[NH2+][C@@H](C1CC1)[C@@]1(C)CCCO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2F)SC1=S
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N(c1cccc(-c2oc(C)c(n2)C)c1)C(NC[C@@H](C)[NH+]1C[C@@H](C)CCC1)=O
### Response:
Cc1nc(-c2cccc(NC(=O)NC[C@@H](C)[NH+]3CCC[C@H](C)C3)c2)oc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1ccc(Cl)cc1N(S(C)(=O)=O)[C@H](C(=O)Nc1c(C)c(ccc1)[N+](=O)[O-])C
### Response:
COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Nc1c(NNC(=O)c2ccc(Cl)cc2Cl)ncnc1NC1CCCCC1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([N+](=O)[O-])cc1NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc2c(C(=O)Nc3cccc(C)c3C)cc(=O)oc2c1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCC
Fragment 2: [4*]CCC
### Response:
CCCN[C@H](C#N)CCn1ccnc1C#N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)[C@H](NC(=O)N1CCCCC1)C(=O)[O-]
### Response:
5 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](C)NC(=O)c1ccc(NC(=O)c2cnoc2C)cc1O
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(N[C@H](C(=O)[O-])C1CC1)c1ccncc1Cl
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(cccc(c1)C(OCC)=O)NC(=O)Cc1c(cccc1)F
### Response:
CCOC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C[C@H](OC(C)=O)[C@]2(C)[C@@H](C(C)=O)CC[C@H]32)C1
### Response:
Yes |
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