task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN1C(=O)c2cccc3cc(S(=O)(=O)NCC(=O)[O-])cc(c23)C1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)c1nc(C[NH+]2CCC[C@H]2c2cccc3c2OCCO3)no1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[8*]
Fragment 2: [5*]N1CCOCC1
### Response:
Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(N3CCOCC3)nc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CN(C)C(=O)CCNC(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(NC(=O)NCCCn2nc3ccccn3c2=O)s1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*][C@@H](O)[C@@H](C)CC(=O)[O-]
Fragment 2: [16*]c1ccc(OC)c2ccccc12
### Response:
COc1ccc([C@@H](O)[C@@H](C)CC(=O)[O-])c2ccccc12 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCOC(=O)Cn1ccc(=O)c2cc(OCC)ccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CCSc1ccccn1)N1CCC(Oc2ccc(F)cc2)CC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cc([14*])nn1C
Fragment 2: [1*]C(=O)C(C)(C)F
### Response:
COCCc1cc(NC(=O)C(C)(C)F)n(C)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCOC(=O)CN(Cc1ccc(F)cc1)C(=O)C1C[C@H](C)O[C@@H](C)C1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1ccc(F)cc1Cl
Fragment 2: [5*]N1C[C@H]([15*])CC[C@H]1C
### Response:
C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)COc1ccc(F)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a halide group?
CCCCC(=O)Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a thiol group?
Cc1ccc(O)c(C(=O)c2cnc3onc(-c4ccc(F)cc4)c3c2)c1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)C(C)C
### Response:
4 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CN(C(=O)[C@]1(C)Oc2ccccc2NC1=O)C1CCCCC1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccn1[9*]
Fragment 2: [7*]C1C(=O)N([10*])C(=S)N=C1[O-]
### Response:
Cc1ccccc1N1C(=O)/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C([O-])=NC1=S |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(Nc1ccc(Cl)nc1)N[C@@H](CO)c1ccc(Cl)cc1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)Oc1ncccc1NC(=O)N1CCOC[C@H]1C1CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(c(=O)c2c(c(C(=O)N3[C@@H]4CC[NH+](C[C@@H]4CCC3)Cc3sc4c(c3)cccc4)n1)cccc2)C
### Response:
Cn1nc(C(=O)N2CCC[C@H]3C[NH+](Cc4cc5ccccc5s4)CC[C@H]32)c2ccccc2c1=O |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]C[C@H](CS)C(C)(C)C
Fragment 2: [4*]C(C)(C)C
### Response:
CC(C)(C)[C@@H](CS)CN1CC[NH+](C(C)(C)C)CC1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc[nH+]cc1
Fragment 2: [1*]C(=O)[C@@H]1CCC[NH+](C)C1
### Response:
C[NH+]1CCC[C@@H](C(=O)NCCC2CCN(c3cc[nH+]cc3)CC2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC1CCCCCC1)[C@H](Sc1cn[nH]n1)c1ccccc1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC
Fragment 2: [4*]C[C@@H]1CCCO1
### Response:
CCOc1ccc(C(=S)NC[C@@H]2CCCO2)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
O=C(CNC(=O)c1ccccc1)N[C@@H](CO)Cc1c[nH]c2ccccc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(CN1C(=O)c2ccccc2N[C@H]1O)NCCc1c[nH]c2ccc(Cl)cc12
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc([16*])c(OC)c1
Fragment 2: [1*]C(=O)c1ccc(O[3*])c(OC)c1
### Response:
COc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Nc1cccc(Oc2ncccn2)c1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1=C(C(=O)Nc2cc(C)on2)[C@@H](c2c(F)cccc2Cl)NC(=S)N1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
CCN(CC(C)(C)O)S(=O)(=O)c1ccc(C#CCO)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH+](C)C1(C(=O)Cc2ccc(C(C)(C)C)cc2)CCCC1
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1nc([14*])no1
Fragment 2: [16*]c1ccccc1C
### Response:
Cc1ccccc1Cc1noc(C[NH+]2CCC[C@H](CS(N)(=O)=O)C2)n1 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
COCCOc1ccc(F)cc1NC(=O)[C@@H]1CCO[C@H]1C
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)C(=O)Nc1cccc2ccccc12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O[C@H](c1nnn(c1)CC1CCN(CC1)C(CCc1ccccc1C)=O)C
### Response:
Cc1ccccc1CCC(=O)N1CCC(Cn2cc([C@H](C)O)nn2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1nn(C)cc1C(=O)NCC1CCN(C(=O)c2cccnc2SC)CC1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1c([C@@H](C)[NH2+][C@H]2COc3ccccc32)cccc1[N+](=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccc(Cl)c(Cl)c1
Fragment 2: [9*]n1nc([14*])ccc1=O
### Response:
Cc1ccc(-c2ccc(=O)n([C@@H](C)C(=O)N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccccc1-c1noc(C[C@H]2C[NH2+]CCO2)n1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1cc(=O)n2ccsc2[nH+]1
Fragment 2: [8*]Cn1cnc2cc([14*])sc2c1=O
### Response:
COc1ccc(-c2cc3ncn(Cc4cc(=O)n5ccsc5[nH+]4)c(=O)c3s2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
o1c(ccc1C)C(N1CCN(CC1)S(c1ccccc1[N+](=O)[O-])(=O)=O)=O
### Response:
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CCC([15*])CC1
Fragment 2: [3*]OC[C@H]1CCCCO1
### Response:
CCc1cccc(S(=O)(=O)N2CCC(OC[C@H]3CCCCO3)CC2)c1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CCN(C(=O)CNC1(c2ccc(F)cc2)CCOCC1)C1CC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cc(I)c(n1C)C(=O)N1N=C(C[C@]1(O)C(F)(F)F)C
### Response:
CC1=NN(C(=O)c2c(I)cnn2C)[C@@](O)(C(F)(F)F)C1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
[NH3+][C@H](CC[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C([NH+]1CCCCCC1)[C@@H]1CN(C(N[C@@H](c2sc(cn2)C)C)=O)CCC1
### Response:
Cc1cnc([C@@H](C)NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(Cl)cc1NC(=O)CCn1c(=O)n(C)c2ccccc21
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)N1C(=O)C2(CCCC2)NC(=O)[C@]1(C)CC
### Response:
4 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(C)c2c(c([nH]c1=O)=O)n(Cc1cc(Cl)ccc1)c(n2)SCC(Nc1ccccc1)=O
### Response:
Cn1c(=O)[nH]c(=O)c2c1nc(SCC(=O)Nc1ccccc1)n2Cc1cccc(Cl)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1C
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a carboxyl group?
C[C@@H]1CCCC[C@H]1NC(=O)CCCN1C(=O)c2cccnc2Oc2ccc(Cl)cc21
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(Nc2nc(N3C[C@@H](C)O[C@H](C)C3)nc(N)c2[N+](=O)[O-])cc1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC(=O)c1ccc2c(c1)N(CC(=O)Nc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[NH+](CC(=O)N(C)c1nc2ccccc2s1)CC1CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(C)[NH2+][C@]1(C(=O)N)CC[C@H](C1)Sc1cc(C)nn1C
### Response:
Cc1cc(S[C@@H]2CC[C@]([NH2+]C(C)C)(C(N)=O)C2)n(C)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1c(C)cccc1C
Fragment 2: [5*]N(C)CC[C@@H](C)O
### Response:
Cc1cccc(C)c1NC(=O)N(C)CC[C@@H](C)O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COCC[NH+](C)Cc1cc(C(=O)OC)sc1C
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [5*][NH+]1CCC[C@H]1[13*]
### Response:
CCCOc1cc(C[NH+]2CCC[C@H]2c2cnn(C)c2C)ccc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [4*]CCCS(C)(=O)=O
### Response:
CS(=O)(=O)CCCNC(=O)NC1(c2ccccc2F)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)C[C@]2(C[NH+]=C(N)O2)C(C)(C)O1
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH2+][C@@H](C)c1cc(F)c(C)cc1N1C[C@@H](C)S[C@@H](C)C1
### Response:
0 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)OCC(=O)NC(C)(C)C)[C@@H]4C2=O)c(C)c1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(C[NH+](C)CC2CCCC2)cc(C#N)cs1
### Response:
C[NH+](Cc1cc(C#N)cs1)CC1CCCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC1(N(C(=O)CNC1=O)[C@H](C)CC)C
### Response:
CC[C@@H](C)N1C(=O)CNC(=O)C1(C)C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C([O-])c1cncc(Nc2cccnc2)n1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCCCC
Fragment 2: [10*]N1C(=O)CSC1=S
### Response:
CCCCCN1C(=O)CSC1=S |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(OC)c(C)cc1CNC(=O)N1CCN(CC1)c1ncccc1F
### Response:
COc1ccc(CNC(=O)N2CCN(c3ncccc3F)CC2)cc1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@H](c1ccc(Cl)c(OC)c1)[C@@H]1C[C@@H]1C
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(CC)c1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SC)=NC(=O)[C@@H]32)cc1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)Oc1cccc(/C=C/C(=O)N[C@@H]2CCC(=O)NC2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H]([NH2+][C@@H]1CCSc2ccc(F)cc21)c1ccc(-n2ccnn2)cc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)c2c1[nH]c(=S)n2[C@]1(C)CCS(=O)(=O)C1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COC(=O)[C@H](C)Oc1ccnc2c(F)cc(F)cc12
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(-n2cnnn2)cc1NC(=O)[C@@H]1C=C[C@@H]([NH3+])C1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COC[C@H](C)Oc1cnc2ccccc2c1C(=O)[O-]
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a aldehyde group?
CC(C)OCCS(=O)(=O)N1[C@H](C[NH3+])CCC[C@H]1C
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc([C@@H](CNC(=O)c2cccc(N(C)C)c2)c2c[nH]c3ccccc23)cc1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cnc(Nc2ccc(F)cc2F)c2c1onc2-c1ccc(Cl)cc1
### Response:
Fc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)c(F)c1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccn(C)c1C(=O)CN1[C@@H](CCc2ccccc21)C
### Response:
C[C@@H]1CCc2ccccc2N1CC(=O)c1cccn1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc(CNC(=O)[C@H]2Cc3ccccc3S2)c(N(C)C)c1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc2c(OC)ccc(c21)C(N1C[C@H](CCC1)C(Nc1cc(ccc1F)Cl)=O)=O
### Response:
COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc(C)cc1
Fragment 2: [5*]N1CCn2c1nc1ccccc12
### Response:
CC[C@@H](C)[C@H](NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCc1ccc(C)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N1CCC[C@H](CCC(N)=O)C1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
COc1ccc(C)cc1[C@@H](O)Cc1cccc(F)c1F
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(/C=N/N=C(/c2c(C)n(-c3c(non3)N)nn2)C)ccc(F)c1
### Response:
C/C(=N\N=C\c1ccc(F)cc1)c1nnn(-c2nonc2N)c1C |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccccc3F)CC2)CC1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1C[NH2+]Cc1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCCN[5*]
Fragment 2: [1*]C(=O)N1C[C@@H]([15*])C[C@H]1C
### Response:
C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)NCCNC(=O)c1cccnc1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(NC(=O)NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@@H]([NH2+][C@@H]1CSCC(C)(C)C1)C(=O)[O-]
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H](CNC(=O)CN1CCN(c2cccc[nH+]2)CC1)c1ccccc1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C[C@@H](C(NC[C@H]1CN2[C@@H](CO1)CCC2)=O)C)c1c(cccc1)F
### Response:
C[C@@H](CCc1ccccc1F)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(CC(=O)N[C@H]2C[NH+]3CCC2CC3)c(C)c1N
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]([C@H](c1c(OC)ccc(C)c1)C)Cc1cc(C(N)=O)ccc1
### Response:
COc1ccc(C)cc1[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@H](C)O[3*]
Fragment 2: [5*]N1CCOC[C@@H]1[13*]
### Response:
C[C@H](Oc1ccccc1)C(=O)N1CCOC[C@@H]1C(N)=O |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cccc(CN(C(=O)c2cccnc2C)C(C)C)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC1(CNC(=O)NC2CCN(c3cccc(C)[nH+]3)CC2)CC1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CC(C)[C@@H](C)NC(=O)N1CCSC(C)(C)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N(C(COc1c2ccccc2ncn1)=O)CC)C1CC[NH+](CC1)C1CC[NH+](C)CC1
### Response:
CCN(CC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)COc1ncnc2ccccc12 |
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