task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a ether group?
C[NH+](C)[C@H]1CC[C@H](NC(=O)N[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ester group?
COc1ccc(/N=N\c2c(N)nn3c(SC)c(C#N)c(N)nc23)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]C1CCN(C(=O)C2(C)CCCC2)CC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC([15*])CC1
Fragment 2: [14*]c1noc([14*])n1
### Response:
CCC1CCC([NH+]2CCC(c3nc(-c4ccccn4)no3)CC2)CC1 |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
C[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([S@@](=O)C(F)(F)F)cc2)C1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
COc1ccc([C@H]2CCCN2C(=O)NCCCNC(C)=O)c(OC)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N(C)[C@@H]1C[C@@H](C)CCC1)CCCN1C(=O)CNC1=O
### Response:
C[C@H]1CCC[C@H](N(C)C(=O)CCCN2C(=O)CNC2=O)C1 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1cc([C@@H](C)NC(=O)C[C@H](C)NC(=O)c2ccccc2)c(C)s1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [6*]C(=O)NC
Fragment 2: [5*]Nc1ccc([16*])cc1Cl
### Response:
CNC(=O)c1ccc(NC(=O)N[C@@H]2CCN(C(=O)C(C)C)C2)c(Cl)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCn1cc(NC(=O)c2cccc(-c3nnc(C)o3)c2)cn1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCn1ccc(C(=O)N[C@@H]2CCCC[C@H]2C[NH+](C)C)n1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1ccc(CNC(=O)CSc2ccc(-c3cccs3)nn2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(=C/C(=O)NC1CCN(CC1)S(=O)(CC)=O)(/c1ccccc1)C
### Response:
CCS(=O)(=O)N1CCC(NC(=O)/C=C(/C)c2ccccc2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCSc1ccc(Cl)cc1C(=O)Nc1cc(C(N)=O)ccc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(C(=O)C(=O)NCc2ccccc2Cn2cncn2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [12*]S(=O)(=O)c1ccccc1
Fragment 2: [5*]NS(=O)(=O)c1ccccc1
### Response:
O=C(Nc1ccc(F)cc1F)c1ccccc1NS(=O)(=O)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1OC[C@H](C)N(C1)Cc1c(ccc(c1)Cl)N
### Response:
C[C@H]1COCCN1Cc1cc(Cl)ccc1N |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCC[C@@H](C(=O)[O-])[C@]1(O)COc2cc(O)ccc21
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(Cc2ccncc2)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@]1(CCCS[C@@H]1C)(C[NH3+])N(Cc1ccc(F)cc1)C
### Response:
C[C@H]1SCCC[C@@]1(C[NH3+])N(C)Cc1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)c(F)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccnc1
Fragment 2: [8*]CCCC
### Response:
CCCCc1ccc(N2C(=O)/C(=C/c3cccnc3)SC2=S)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
NC(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
OC[C@@H]1O[C@H](Sc2nc3ccccc3n2CCOc2ccc3ccccc3c2)[C@H](O)[C@H](O)[C@@H]1O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc([C@@H](N)C(C)(C)[NH+](C)C)cc1C
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
C[C@H]([NH2+][C@H](C)C(=O)Nc1cc(F)ccc1F)c1ccc2c(c1)OCCO2
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
S(N(Cc1nc(-c2sccc2)no1)C)(=O)(=O)c1ccc(Cl)cc1
### Response:
CN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(Cl)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCc2nc(SCCOCCOC)c(cc2C1)C#N
### Response:
COCCOCCSc1nc2c(cc1C#N)CCCC2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1C(N(C[C@@H]1C(=O)Nc1cc(-c2nnnn2C)ccc1)[C@@H](CCC)C)=O
### Response:
CCC[C@@H](C)N1C[C@H](C(=O)Nc2cccc(-c3nnnn3C)c2)CC1=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(OC)c([C@@H](O)Cc2[nH+]ccn2C)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[NH+]([C@@H](c1c(Cl)cccc1)CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)C
### Response:
C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1Cl |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(NNC(=O)c2cccc(N3CCCNC3=O)c2)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](c1cccnc1)N(C)C(=O)c1ccc(CNC(=O)C2CCCC2)cc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc2c(c1)OCCO2
Fragment 2: [14*]c1nc2ccccc2s1
### Response:
C[C@@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1ccc2c(c1)OCCO2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@@H]1N=NC2=C1CN(C(=O)CCC(=O)Nc1cc(C)ccn1)CC2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccc(N)c(SC[C@@H]2CC[C@H](C(=O)NN)O2)c1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H]1C[C@H]1[15*]
Fragment 2: [5*]N([5*])CC
### Response:
CCN(Cc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(=O)N/N=C\c1c(Br)c(C)n(-c2cccc(C)c2)c1C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC1CCN(c2nc3nc(C)n(-c4ccc(C)cc4C)c(=S)c3c(=O)[nH]2)CC1
### Response:
Cc1ccc(-n2c(C)nc3nc(N4CCC(C)CC4)[nH]c(=O)c3c2=S)c(C)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1c(C)n(C[C@H](O)C[NH2+]C2CCCCC2)c2ccc(F)cc12
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)CNC(=O)[C@H](C)N1CCCN(C[C@@H](C)C[NH3+])CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(C(=O)NC[C@](C)(c2ccc(cc2)F)O)CCN(CC(F)(F)F)CC1
### Response:
C[C@@](O)(CNC(=O)C1CCN(CC(F)(F)F)CC1)c1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c(F)cc(N)cc1S(=O)(=O)N[C@@H](C)C1CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CN(C1CCC(C)(C)CC1)S(=O)(=O)c1c[nH]cn1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1ccc(SCC(=O)N(C)CCC#N)cc1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CSc1nc(O)c(CC(C)C)c(=O)[nH]1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)N1CCC(C(=O)NCCc2cccs2)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
COCCNC(=O)Cn1ccc2c(Cl)cccc21
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(O[C@@H](C)c2nnc(SCc3ccccc3C)n2C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1N(CC(Nc2c(C)cc(C)cc2C)=O)C(=O)c2c3c(c(Cl)ccc13)ccc2
### Response:
Cc1cc(C)c(NC(=O)CN2C(=O)c3cccc4c(Cl)ccc(c34)C2=O)c(C)c1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(NC[C@H](O)C1CCOCC1)C(=O)Nc1c(F)cccc1F
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(C)cc1C[NH+]1CCC[C@H]([C@@H]2C[C@H](C(F)(F)F)n3ncnc3N2)C1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]([C@@H]2CCOC2)N2CCOCC2)o1
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C[8*])c1ccccc1
Fragment 2: [4*][C@H]([8*])C[C@@H]1CCOC1
### Response:
Fc1cccnc1CN[C@@H](C[C@@H]1CCOC1)c1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C(=O)[C@@H](CNC(=O)c1c(nns1)CC)CC(C)C
### Response:
CCc1nnsc1C(=O)NC[C@@H](CC(C)C)C(=O)[O-] |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1cc(N[C@@H](CCO)C(C)C)c2cc(OC(F)F)ccc2[nH+]1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=C(c1cnccn1)N(Cc1cccs1)C[C@@H]1CCCO1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
NC(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccccc1O
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCC(=O)Nc1cccc2c1C(=O)N(C)C2=O
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)[NH+](CC1(CS)CCC1)CCCO
### Response:
CC(C)[NH+](CCCO)CC1(CS)CCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccnc1
Fragment 2: [1*]C(=O)[C@](C)([NH3+])CC
### Response:
CC[C@@](C)([NH3+])C(=O)N[C@H](C)c1cccnc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*][C@@H](C)c1ccc(S(=O)(=O)NC)cc1
Fragment 2: [4*]C[C@@H]1C[C@@]12CCc1ccccc12
### Response:
CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@]23CCc2ccccc23)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc(O)cc1C
Fragment 2: [1*]C(=O)c1cn(CC)c2nc(C)ccc2c1=O
### Response:
CCn1cc(C(=O)Nc2ccc(O)cc2C)c(=O)c2ccc(C)nc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C1NC(C)(C(N1CCS[C@H](C(=O)NC1CCCCC1)C)=O)C
### Response:
C[C@H](SCCN1C(=O)NC(C)(C)C1=O)C(=O)NC1CCCCC1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc([N+](=O)[O-])cc1[N+](=O)[O-]
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH3+])Cc1cccc(OC/C(Cl)=C/Cl)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Cc1c(sc2c1c1nc(nn1cn2)CC#N)C
### Response:
Cc1sc2ncn3nc(CC#N)nc3c2c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N([5*])[C@H]1CCCc2ccccc21
Fragment 2: [5*]N([5*])[C@H]1CCCc2ccccc21
### Response:
C[C@H](CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21)N1CCOCC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1N=C(SC)N([10*])C1=O
Fragment 2: [7*]Cc1ccc(Cl)cc1
### Response:
CSC1=N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccco1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCOc1ccccc1[C@@H]1c2c(nc(N3CCC4(CC3)OCCO4)[nH]c2=O)NC(=O)[C@@H]1C#N
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)[C@@H](CC(C)C)NC(=O)NCC1(c2ccccc2F)CC1
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
CCOCC(=O)N1[C@@H]2CC[C@H]1CN(Cc1ccccc1)C2
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N)(NC[C@@H]1CCCC[NH+]1Cc1ccccc1N1CCOCC1)=O
### Response:
NC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1N1CCOCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@H]([C@](CC)(C)N1CCOCC1)C1CCOCC1
### Response:
CC[C@](C)([C@@H](O)C1CCOCC1)N1CCOCC1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@@H](C(=O)NNC(=O)NCCc1cccs1)[NH+](C)C
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=C[C@@H](C)NC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nnn[n-]1
Fragment 2: [5*]N(C)[C@H]1CCC[C@H]1C[NH3+]
### Response:
CN(C(=O)c1nnn[n-]1)[C@H]1CCC[C@H]1C[NH3+] |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@H](N)C[NH3+]
Fragment 2: [16*]c1cc(F)ccc1Cl
### Response:
N[C@H](C[NH3+])c1cc(F)ccc1Cl |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@H]1CCCc2ccccc21
Fragment 2: [1*]C(=O)[C@@H](N[5*])C(C)C
### Response:
CC(C)[C@H](NC(=O)c1ccco1)C(=O)N[C@H]1CCCc2ccccc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1n(C)ncc1[C@@](C)(O)CN/C(NCC#C)=[NH+]\CC
### Response:
C#CCN/C(NC[C@](C)(O)c1cnn(C)c1)=[NH+]/CC |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2ncc(C(=O)N(C)C3CC[NH+](C(C)C)CC3)n2c1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COCCCNC(=O)c1cnc2n(c1=O)CCS2
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(c1cnc(N2CCC(O)CC2)c(Cl)c1)N1CCCCC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(=O)c1c(-c2ccccc2)cn2ccccc12
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(Cl)c(S([12*])(=O)=O)c1
Fragment 2: [5*]N1CCOCC1
### Response:
O=C(Nc1ccccc1N1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(C(Nc1ccccc1S[C@@H](C)CC#N)=O)N(Cc1c(C)noc1C)C
### Response:
Cc1noc(C)c1CN(C)C(=O)C(=O)Nc1ccccc1S[C@@H](C)CC#N |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CC1CCCC1)N1CCCC[C@H]1[C@H]1CCCC[C@@H]1O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
Cc1cc(N)c(S(=O)(=O)NC[C@@H]2CN(C)CCO2)cc1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C)c(-n2ncc(NC(=O)NCC(C)(C)c3ccncc3)c2C)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1sc(N2CC(C)(C)CC2)nc1C[C@H]([NH3+])c1ccccc1
### Response:
CC1(C)CCN(c2nc(C[C@H]([NH3+])c3ccccc3)cs2)C1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cnc2c1c(=O)n(C)c(=O)n2C
Fragment 2: [1*]C(=O)CCC[8*]
### Response:
C[C@@H](NC(=O)CCCn1cnc2c1c(=O)n(C)c(=O)n2C)c1ccc(Cl)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(/C=N/NC(=O)c2cccnc2)cc1[N+](=O)[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(C(=O)N2CCN(c3nc4ncccc4o3)CC2)c1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(F)cc1
Fragment 2: [14*]c1nc2ncc(Br)cc2nc1[O-]
### Response:
O=C(Cc1nc2ncc(Br)cc2nc1[O-])c1ccc(F)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC1=NN(c2ccc(C(=O)NC[C@](C)(O)c3ccc(F)cc3)cc2)CC1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CN(C(=O)COC(=O)c1nccnc1N)c1ccccc1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@](CNC(c1cc(Cl)ccc1OC)=O)(O)(c1ccco1)C1CC1
### Response:
COc1ccc(Cl)cc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 |
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