task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)C(=O)N1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1CCN2C(=O)C(C)C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]([C@@H](COC)[C@H]1CN(C(C)C)CCO1)CCC
### Response:
CCC[NH2+][C@@H](COC)[C@H]1CN(C(C)C)CCO1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N1CC(O)C1
Fragment 2: [1*]C(=O)[C@H]1[C@@H]2C=C[C@@]3(CN([10*])C(=O)[C@H]13)O2
### Response:
Cc1ccc(CCN2C[C@]34C=C[C@H](O3)[C@H](C(=O)N3CC(O)C3)[C@H]4C2=O)cc1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC[C@@H](C(=O)N1CCN(CC)CC1)N(c1ccc(C)cc1)S(C)(=O)=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1nc2cc(C)c(C)cc2nc1[14*]
Fragment 2: [5*]N1CCN([5*])CC1
### Response:
CCCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(NC(=O)C[C@@H]2CCCCO2)c1C(=O)[O-]
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]CC1=NO[C@@]([13*])(O)C1
Fragment 2: [7*]Cc1cccs1
### Response:
O[C@@]1(C(F)(F)F)CC(/C=C\c2cccs2)=NO1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC1(C)CC(=O)C2=CN[C@@H]3CCCC[C@H]3N=C2C1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(C(=O)c1c2ccccc2[nH]c1C)(=O)Nc1ccc(cc1)C(=O)OC
### Response:
COC(=O)c1ccc(NC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C=CCOC(=O)C1=C(C)N=C2SCCC(=O)N2[C@@H]1c1ccc(Cl)cc1Cl
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(#N)c1ccc(NC(=S)C)cc1
### Response:
CC(=S)Nc1ccc(C#N)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1cccs1
Fragment 2: [5*]N([5*])c1ccc(F)cc1F
### Response:
O=C(/C=C/c1cccs1)N(Cc1ccccn1)c1ccc(F)cc1F |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
CC(C)[C@H]1CSC(N[C@H]2CC[C@H](C)C[C@H]2C)=[NH+]1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O(C)c1ccc(cc1)NC(=O)c1ccc(NN)nc1
### Response:
COc1ccc(NC(=O)c2ccc(NN)nc2)cc1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1ccc(C)c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccc4nsnc34)C2)c1
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=c1n(Cc2ccc(F)cc2F)nc([C@@H]2CCC[NH2+]C2)n1-c1ccccc1
### Response:
1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)(NC(=O)c1ccc(-n2cccn2)cc1)c1ccc2c(c1)OCO2
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(/C(=O)Oc1ccc(cc1)N(C(=O)N)C)=C(\c1cc(ccc1)OC)C
### Response:
COc1cccc(/C(C)=C/C(=O)Oc2ccc(N(C)C(N)=O)cc2)c1 |
functional_group | ### Instruction:
Does the molecule contain a ketone group?
O=S1(=O)C[C@@H](O)[C@H](/N=C/c2ccoc2)C1
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CSC1=N/C(C(N1c1ccc(c(c1)Cl)OC)=O)=C/c1sccc1
### Response:
COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC)cc1Cl |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1csc(-n2[nH]c(C)c(CCC(=O)Nc3cccc(Cl)c3)c2=O)n1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(cc(c1)CN/C(=[NH+]\C)NCc1ccc(C)s1)C
### Response:
C/[NH+]=C(\NCc1cccc(C)c1)NCc1ccc(C)s1 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)c1ccc2c(c1)OCCO2
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H]1CCc2nc(NC(=O)[C@H]3CC(=O)N(CC)C3)sc2C1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1N
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N(C)C[8*]
Fragment 2: [1*]C(=O)C[7*]
### Response:
Cc1ccc(CN(C)C(=O)/C=C/c2c(Cl)cccc2Cl)o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OCC[4*]
Fragment 2: [8*][C@@H](C)[NH2+]C
### Response:
C[NH2+][C@H](C)c1cc(F)ccc1OCCN1CCOCC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[NH+]1CCCC[C@H]1CNC1=[NH+]CCCC1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1ncnc2c1CCCC2
Fragment 2: [5*][NH+](C)C
### Response:
C[NH+](C)C[C@H]1C[C@@H](O)CN1c1ncnc2c1CCCC2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCSc1ccccc1C(=O)Nc1nc2c(OC)ccc(Cl)c2s1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[NH2+][C@H](c1cccc(F)c1)c1cc(C)c(F)cc1F
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
Nc1c(C(=O)N2CC[NH2+]CC2)sc2cccc(F)c12
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)c1cc(C(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)n(C)n1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](CCO)NC(=O)N[C@@H](c1ccc(Cl)cc1)C1CCC1
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C1C[C@H]([NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)C(=O)N1c1ccccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]NCc1ccc(OC)cc1
Fragment 2: [1*]C(=O)C(=O)N/N=C/c1ccccc1[N+](=O)[O-]
### Response:
COc1ccc(CNC(=O)C(=O)N/N=C/c2ccccc2[N+](=O)[O-])cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc2cc(NC(=O)C(=O)NC[C@@H](C)c3ccsc3)ccc2n1C
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CCc1ccc(/C=c2\sc(=C(C#N)C#N)n(-c3ccc(OC)cc3)c2=O)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C([C@@H]1CCS(=O)(=O)C1)N(Cc1ccc(Br)cc1)c1ccc(F)cc1F
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H](C)NC(=O)c1oc2ccc(OC)cc2c1C
### Response:
1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCCOc1cc(N2CCN(C(=O)C(C)C)CC2)nc(C)n1
### Response:
0 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCOC[C@H]1[13*]
Fragment 2: [9*]n1ncc([16*])c1C
### Response:
Cc1c(NC(=O)N2CCOC[C@H]2C2CC2)cnn1CCC(C)C |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CCOC1
Fragment 2: [5*]N1CCc2[nH]c3ccc(Cl)cc3c2C1
### Response:
O=C([C@@H]1CCOC1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@H]1Cc2ccccc2N1Cc1occc1C(=O)Nc1cccc(CN2CCCCC2=O)c1
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1ncc(Cl)cc1Cl
### Response:
Yes |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])o2)[NH+](C)C)cc1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1csc([14*])n1
Fragment 2: [9*]n1cnc2c1c(=O)n(C)c(=O)n2C
### Response:
COc1ccc(-c2nc(Cn3cnc4c3c(=O)n(C)c(=O)n4C)cs2)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
NNc1c([N+](=O)[O-])cc(S(NC[C@H](C)CC)(=O)=O)c(C)c1
### Response:
CC[C@@H](C)CNS(=O)(=O)c1cc([N+](=O)[O-])c(NN)cc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)c(F)cc(OC)c(F)c1
### Response:
COc1cc(F)c(NC(=O)C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)cc1F |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
CN(C)c1ccc(NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)cc1
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(Br)c(C(=O)NCCCNc2cnccc2C#N)c1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCN(C(=O)CN1CCN(C(=O)C[NH+](C)C)CC1)c1ccccc1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O
### Response:
5 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]N[C@@H]([8*])CC
Fragment 2: [14*]c1cccs1
### Response:
CC[C@@H](NC(=O)N[C@H](CO)c1ccc(Cl)cc1)c1cccs1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cc(C)sc1C
Fragment 2: [1*]C(=O)CCC[8*]
### Response:
Cc1cc(CCCC(=O)NCC[C@H](C)O)c(C)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@]1(c2ccccc2C(=O)[O-])NN=C(c2ccccc2)S1
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CS(=O)(=O)N1CCC(C(=O)N2CCC(c3cccs3)CC2)CC1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=S(=O)(c1c(F)cccc1Br)N1C[C@H]2CC[C@@H]1C2
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
O=C(CCOc1ccccc1Cl)N1CCC[C@@H]2CCCC[C@H]21
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]CCCC(=O)N/N=C/c1ccc(SC)cc1
Fragment 2: [16*]c1ccccc1
### Response:
CSc1ccc(/C=N/NC(=O)CCCc2ccccc2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@H]1CCCO1
### Response:
2 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
ClC(Cl)(Cl)[C@@H]1NCCO1
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1cc(C[NH+]2C[C@@H](C)[C@H]2c2ccccc2)cc(Cl)c1OCC(N)=O
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1F
Fragment 2: [1*]C(=O)C[4*]
### Response:
C[C@@H]1CCC[C@@H](C)N1S(=O)(=O)c1ccc(NC(=O)COc2ccccc2F)cc1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1([C@H]([NH2+]Cc2nc(no2)-c2occc2)c2ccccc2)ccc(C)cc1
### Response:
Cc1ccc([C@H]([NH2+]Cc2nc(-c3ccco3)no2)c2ccccc2)cc1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNS(=O)(=O)c1cccc2cccnc12
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1cc(NC(=O)c2cccc(-c3n[nH]c(C)n3)c2)n(C)n1
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@H]1CCCCN1C(=O)c1ccc(Cn2nnc3ccccc32)cc1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(CNC(=O)[C@@H]2CCCN(c3ncnc4onc(C)c34)C2)cc1
### Response:
1 |
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:
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)N[C@@H]1CCOc2ccccc21 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc(-n2c(C)cc(C(=O)N[C@H](CO)c3ccco3)c2C)c1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1
Fragment 2: [4*]Cc1[nH+]ccn1C
### Response:
Cn1cc[nH+]c1CN(CCO)C(=O)[C@@H]1CC2(CC[NH2+]CC2)CN1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cnc2ccccc2c1C(NCCC(=O)N1CCCCC1)=O
### Response:
O=C(NCCC(=O)N1CCCCC1)c1ccnc2ccccc12 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[O-]C(CCSc1oc(nn1)-c1c(OC)cccc1)=O
### Response:
COc1ccccc1-c1nnc(SCCC(=O)[O-])o1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]C1C(=O)NC(=O)c2ccccc21
Fragment 2: [7*]Cc1cc([16*])cs1
### Response:
O=C1NC(=O)c2ccccc2/C1=C\c1cc(-c2ccccc2)cs1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1ccc2nc(NC3CCCCCCC3)c3nnnn3c2c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCc1nn(C)cc1C(=O)N[C@H]1C=CCCC1
### Response:
2 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]Cc1cnn(C)c1
Fragment 2: [16*]c1cccc(F)c1
### Response:
Cn1cc(C[C@@H]2CCN(C(=O)C3(c4cccc(F)c4)CCC3)C2)cn1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1ccccc1
Fragment 2: [4*]CCN([5*])C
### Response:
CN(CCOc1ccccc1)C(=O)c1cccc(C#N)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Brc1cn2ccnc2c(N[C@@H]2CCc3ccccc3C2)n1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*][NH+]1CCC[C@H](CC)C1
Fragment 2: [4*][C@]1(CO)CC[C@@H]([15*])C1
### Response:
CC[C@H]1CCC[NH+]([C@@H]2CC[C@@](CO)([NH2+]C3CC3)C2)C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1C(=O)c2ccc(C)cc2C1=O)C(N1CCC[C@H]2CCCC[C@H]12)=O
### Response:
Cc1ccc2c(c1)C(=O)N(CC(=O)N1CCC[C@H]3CCCC[C@@H]31)C2=O |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C)c(cc1Cl)NC(=O)C[C@@H]1S/C(N(C1=O)C)=N/c1cc(Cl)ccc1C
### Response:
Cc1ccc(Cl)cc1/N=C1/S[C@@H](CC(=O)Nc2cc(Cl)ccc2C)C(=O)N1C |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCCC2=O)c1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CCCC(Nc1ccc(cc1)CNc1c(C(=O)C)c(F)ccc1)=O
### Response:
CCCC(=O)Nc1ccc(CNc2cccc(F)c2C(C)=O)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]CCC
Fragment 2: [4*][C@@H]([8*])[C@@H]1CCc2cccnc21
### Response:
CCC[NH2+][C@@H]([C@@H]1CN(C)CCO1)[C@@H]1CCc2cccnc21 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
N1[C@H](c2ccccc2OC)[C@H]2[C@@H](c3cccc(C(OC)=O)c31)C=CC2
### Response:
COC(=O)c1cccc2c1N[C@H](c1ccccc1OC)[C@@H]1CC=C[C@H]21 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCc1ccc(CNC(=O)c2cc(-c3ccc(NC(C)=O)cc3)nc3ccccc23)cc1
### Response:
4 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1nnc2ccccn12
Fragment 2: [5*]N[C@@H]([8*])CCSC
### Response:
CC[C@@H](C)NC(=O)N[C@H](CCSC)c1nnc2ccccn12 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CC(C)C[C@H](CNC(=O)c1ccc(O)cc1O)C(=O)[O-]
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
Cc1c(Cl)cccc1NC(=O)c1c(F)cccc1Cl
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [4*]Cc1cccnc1
Fragment 2: [5*]N([5*])CC[8*]
### Response:
O=C([C@@H]1N=CO[C@H]1C1CC1)N(CCc1c[nH]c2ccccc12)Cc1cccnc1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Fc1ccc(Cl)cc1[S-]
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ether group?
COc1ccc(N2CCN(C(=O)[C@@H](c3ccccc3)n3cccc3)CC2)cc1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CCCc2cc(ccc12)CC(Nc1cc(Cl)c(c(Cl)c1)N)=O
### Response:
Nc1c(Cl)cc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1Cl |
functional_group | ### Instruction:
Does the molecule contain a ether group?
CCN(CCOC)[C@]1(C[NH3+])CCCS[C@@H]1C
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1(CCN(CC1)S(=O)(=O)C)C(=O)N[C@@H]1[C@@H]2CC[C@@H](C2)C1
### Response:
CS(=O)(=O)N1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCC[C@H]([NH2+]C)C(OC)OC
### Response:
5 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(ccc(Br)cc1)Oc1c(c(ncn1)N1CCN(c2ccc(F)cc2)CC1)N
### Response:
Nc1c(Oc2ccc(Br)cc2)ncnc1N1CCN(c2ccc(F)cc2)CC1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C[C@@H]1C[C@@H](N(C)Cc2cccc(-c3cccnc3)c2)CC[NH+]1C
### Response:
0 |
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