task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](N[C@H]1c2c(cccc2)CC1)C(Nc1ccc(cn1)Cl)=O
### Response:
C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C(=O)NC(C)C)ccc1NC(=O)c1occc1Br
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(NCC1(CCOCC1)c1sccc1)c1nc(C)sc1
### Response:
Cc1nc(C(=O)NCC2(c3cccs3)CCOCC2)cs1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(Nc1nnc(COc2ccc(Cl)cc2)s1)C1CCN(C(=O)c2cccs2)CC1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
N#Cc1ccccc1OCC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1F
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c12c(cc(F)cc2)[nH]cc1C1CC[NH+](CC=1)CCOCCOC
### Response:
COCCOCC[NH+]1CC=C(c2c[nH]c3cc(F)ccc23)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]1(c2ccc3c(c2)CCC3)NC(=O)N(C[C@@H](O)c2cccc(C(F)(F)F)c2)C1=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(CSc1cn[nH]n1)N[C@H]1Nc2ccc([N+](=O)[O-])cc2S1
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)n1cnnc1CCN1C[C@](C)(Cc2ccc3c(c2)OCO3)CCC1=O
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1C)C(=O)c1c(C(OCC(=O)NC(=O)NC(C)(C)C)=O)cccc1
### Response:
Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)NC(=O)NC(C)(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1C=CC=N1
Fragment 2: [5*]N1CCC[C@H]1[13*]
### Response:
O=C(c1ccc([C@@H]2CCCN2C(=O)[C@@H]2C=CC=N2)s1)N1CCSCC1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C[C@H](O)c3cc(C)sc3C)CC2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1cccc1/C=C\[N+](=O)[O-]
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@H](C([C@H]1NC(C(C)C)=O)(C)C)Cc1cc(on1)CN1CCOCC1
### Response:
CC(C)C(=O)N[C@H]1C[C@@H](Cc2cc(CN3CCOCC3)on2)C1(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)NCCCN3CCOCC3)C2)s1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1[nH]c2[nH]c([14*])cc(=O)c2c1=O
Fragment 2: [8*]CCC
### Response:
CCCc1cc(=O)c2c(=O)n(-c3nc(C)cc(C)n3)[nH]c2[nH]1 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
Cc1noc(C)c1CCCNC(=O)NCCc1cc(F)cc(F)c1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c(noc1Cn1cnc2ccsc2c1=O)C
### Response:
Cc1noc(Cn2cnc3ccsc3c2=O)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC[C@H]1[13*]
Fragment 2: [16*]c1c(C)n[nH]c1C
### Response:
COc1ccc(C)c(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc([14*])o1
Fragment 2: [6*]C(N)=O
### Response:
NC(=O)c1ccc(CNC(=O)COc2cccc(C(F)(F)F)c2)o1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CN1CCN(c2ccccc2)CC1)NC(=O)Nc1ccccc1F
### Response:
3 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(C#N)cc1NC(=O)N(CCC(F)(F)F)C1CCCC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1cc(C(Nc2cc(nn2-c2scc(n2)-c2cccs2)C)=O)cc(OC)c1OC
### Response:
COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3cccs3)cs2)cc(OC)c1OC |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1cc(C)c(OC)cc1C)[NH2+]C2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
O=C(OCC[NH+]1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccc2c(c1)[C@H]1C[NH+](C)CCC[C@@H]1N2Cc1c(CO)c[nH+]c(C)c1[O-]
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(c1cc(=O)c2ccccc2o1)N1CCN(c2ccc(-c3noc(C(F)(F)F)n3)c[nH+]2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(nc(CNC(N[C@H]([C@@H](Cc2ccccc2)O)C)=O)nc1)C
### Response:
C[C@H](NC(=O)NCc1ncn(C)n1)[C@H](O)Cc1ccccc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1NC(C(=O)Nc1ccc([N+]([O-])=O)cc1)=O)CC
### Response:
CCc1ccc(NC(=O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC[C@H](C)N1C(=O)[C@@H](C)NC(=O)C1(C)C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(c1)NC([C@]12CC[C@](C)(C([C@@H]1Br)=O)C2(C)C)=O)OCC
### Response:
CCOc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)[C@@H]2Br)C3(C)C)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CC(=O)NCCNC(=O)c1cc2c(C(C)C)nn(C)c2s1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(F)c1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C=CCO[C@H](C)C(=O)Nc1ccc(F)cc1Br
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1cc([C@]2(O)CS[C@H](C)C2)ccc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(C[NH+]1CCC[C@H]1c1ccc2c(c1)OCO2)NCc1ccco1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc(OCC(=O)NCCCN2CCCC2=O)c2c(C)c(C)c(=O)oc2c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1C[C@H](NC(=O)[C@H](O)c2ccccc2)CN1c1ccccc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccc(-n2ccnn2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc(-c2cccnc2OC2CCCCC2)no1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1([C@H](C1)C(NCc1cc(OC2CCC2)ncc1)=O)c1cc(F)ccc1F
### Response:
O=C(NCc1ccnc(OC2CCC2)c1)[C@H]1C[C@@H]1c1cc(F)ccc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1c2c(c(nc1)N[C@@H](C)c1c(OCc3ccccc3)cccc1)cn(n2)C
### Response:
C[C@H](Nc1ncnc2nn(C)cc12)c1ccccc1OCc1ccccc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)C1=NN(c2ccccc2)[C@H]([13*])C1
Fragment 2: [6*]C(C)=O
### Response:
CC(=O)[C@@H]1CC(C(=O)N[C@H](C)c2cc(C)oc2C)=NN1c1ccccc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(CC1CC1)[C@H](C[NH3+])c1ccc(Br)c(C)c1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(CC[NH+]1C)[C@@H](CNC(=O)NCc1ccccc1)c1ccc2N(C)CCCc2c1
### Response:
CN1CCCc2cc([C@H](CNC(=O)NCc3ccccc3)N3CC[NH+](C)CC3)ccc21 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc(F)c2nc([14*])ccc2c1
Fragment 2: [15*]C1CCCC1
### Response:
O=C(Nc1cc(F)c2nc(N3CCCC3)ccc2c1)NC1CCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(NC(=O)CC(C)C)cc(-c2nc3ncccc3o2)c1O
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NCCN1CCCS1(=O)=O
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC1CCC(NC(=O)C(=O)Nc2cc(C(C)C)on2)CC1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(S(=O)(N[C@H](COc1c(F)cc(cc1)F)C)=O)C)C
### Response:
CCN(C)S(=O)(=O)N[C@@H](C)COc1ccc(F)cc1F |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CNC(c1c(C(Nc2ncccc2)=O)nc[nH]1)=O
### Response:
CNC(=O)c1[nH]cnc1C(=O)Nc1ccccn1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1noc([C@@H](C)[NH+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)COC1CC[NH+](Cc2cc3cnn(C(C)C)c3nc2Cl)CC1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H](NC(=O)c1cccs1)C(C)(C)C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CNc1cc([C@H]2CCCN(Cc3cccc(OC)c3OC)C2)nc(-c2ccncc2)n1
### Response:
0 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccn(-c2sc(N3CCC[C@H](C(Nc4c(cc(cc4)C)Cl)=O)C3)nn2)c1
### Response:
Cc1ccc(NC(=O)[C@H]2CCCN(c3nnc(-n4cccc4)s3)C2)c(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)n(C[C@H](C)CNC(=O)c2cnc(Oc3ccccc3)cn2)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](CCCO)[NH2+]Cc1cccc(Cl)c1
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-][N+](=O)c1ccc(c2N[C@@H]([C@@H]3[C@@H](c21)C=CC3)c1ccc(cc1)Br)O
### Response:
O=[N+]([O-])c1ccc(O)c2c1[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Br)cc1)N2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+][C@@H](CSCc1nccs1)C(=O)[O-]
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CS(=O)(=O)c1cccc(OCC(=O)NC[C@H]2CCCO2)c1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CCCCC1)N(C)C(c1cc2c(S(c3c(cccc3)C(=O)N2Cc2ccccc2)(=O)=O)cc1)=O
### Response:
CN(C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O)C1CCCCC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1ccc(CNC(=O)CCC(=O)[O-])cc1
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(C(=O)/N=c2\sc3c([nH]2)cccc3)c(=O)c2cc3OCOc3cc2n1CC
### Response:
CCn1cc(C(=O)/N=c2/[nH]c3ccccc3s2)c(=O)c2cc3c(cc21)OCO3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1cc([C@H]([NH3+])CC(=O)[O-])c2ccccc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(c1ccc(cc1)/C=C(\C)C[NH2+]Cc1cn(C)nc1CC)C
### Response:
CCc1nn(C)cc1C[NH2+]C/C(C)=C/c1ccc(OC)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc([C@H]2C[C@@H](C(=O)NC3CC3)CN(C(=O)NC(C)C)C2)ccc1F
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(C(=O)Cn1cc(S(=O)(=O)N2CCCCCC2)ccc1=O)c1ccccc1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@H]1CCC[C@](C[NH3+])(C2(O)CCCCCC2)C1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1c(Cl)cccc1Cl)n1ncnc1N2
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
COc1ccccc1C[C@H](O)c1cscc1C
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc([14*])n1
Fragment 2: [5*]N1CCC[C@H]1[13*]
### Response:
CC(=O)N1CCC[C@H]1c1cccc(NCC2CCOCC2)n1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+]Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2OC)c(F)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[NH+](C)C1(CNC(=O)c2ccccc2CN2C(=O)CNC2=O)CCCCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CNc2ccc(-n3nc(C)cc3C)cc2)cn(-c2ccc(C)cc2)nc1
### Response:
Cc1ccc(-n2cc(CNc3ccc(-n4nc(C)cc4C)cc3)cn2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1cccc(CN2C(=O)N(c3ccccc3)C(=O)[C@H]2CC(=O)Nc2cccc(F)c2)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1ccc(-n2ccc(n2)C(F)(F)F)cc1)[NH+]([C@@H]1CCS(C1)(=O)=O)CC=C
### Response:
C=CC[NH+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@@H]1CCS(=O)(=O)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCCc1cc(NC(=O)C(=O)NCc2ccccc2Cl)n(C)n1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CCOc1cccc(O[C@@H]2CCC[C@](CO)([NH2+]C)C2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CNC(=O)c1ccco1)OCC(=O)c1ccc2ccccc2c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@H]1(C)CN(C[C@@H](C1)C)C(=O)NCc1c(cccc1)COCC
### Response:
CCOCc1ccccc1CNC(=O)N1C[C@H](C)C[C@@H](C)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCOc1ccc(Cl)c(C(=O)N(C)c2cccc3ncccc23)n1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCC(F)(F)F
Fragment 2: [1*]C(=O)C[8*]
### Response:
O=C(Cc1ccc([N+](=O)[O-])cc1Br)NCC(F)(F)F |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2O1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(cc1)Br)-c1nc(C)c([nH]1)C
### Response:
Cc1nc(-c2ccc(Br)cc2)[nH]c1C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [10*]N1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1
Fragment 2: [14*]c1nncs1
### Response:
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(c1nncs1)C3=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [1*]C(=O)c1cncn1[9*]
### Response:
O=C(NC[C@H](O)C1CCOCC1)c1cncn1-c1ccccc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cc(C)c(C#N)c(N2C[C@@H]3CC[C@H](C2)N(CC2CC2)C3=O)n1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(ccc(-c2csc(n2)-c2ccc(C(F)(F)F)cn2)c1)Cl
### Response:
FC(F)(F)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)nc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(NC(=O)Nc2ccc(F)cc2)cc1C
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H](C)N(C)C(=O)c1ccc(Br)cc1N
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC(C(=O)Nc1ccc2n(CC(C)C)ccc2c1)=O)[C@H](C#N)C
### Response:
CC(C)Cn1ccc2cc(NC(=O)C(=O)NC[C@@H](C)C#N)ccc21 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
FC(F)(F)[C@@H]1CN(Cc2cnc3c(-c4ccccc4)cnn3c2)CCO1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(C)C(=O)[C@@H]1[C@@H](C(=O)c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc(F)cc1
Fragment 2: [5*]N1COc2ccc3c(c2C1)OC([7*])C3=O
### Response:
C[C@@H](c1ccccc1)N1COc2ccc3c(c2C1)O/C(=C\c1ccc(F)cc1)C3=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
COc1ccccc1C(NCc1c(OC)c(OC)ccc1)=O
### Response:
COc1ccccc1C(=O)NCc1cccc(OC)c1OC |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(NC(NC(CCC)(C)C)=O)c(ccc1)S(=O)(C(C)C)=O
### Response:
CCCC(C)(C)NC(=O)Nc1ccccc1S(=O)(=O)C(C)C |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1[N+](=O)[O-]
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H]([NH+]1C1CCN(C(=O)CC)CC1)C1CCC1
### Response:
CCC(=O)N1CCC([NH+]2CCC[C@H]2C2CCC2)CC1 |
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