task stringclasses 5
values | input stringlengths 89 339 |
|---|---|
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c(-c2ccoc2)cc(cc1)C(=O)O[C@@H]([C@@H]1COCC1)C
### Response:
C[C@@H](OC(=O)c1cccc(-c2ccoc2)c1)[C@H]1CCOC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@H](C)C(=O)Nc1cccc(CNC(=O)c2cc(C#N)cn2C)c1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccccc1CN(C(=S)Nc1ccc(Cl)cc1C)C1CC[NH+](C)CC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
C[C@H]1SCCC[C@@]12C[NH+]=C(N)N2c1ccccc1Cl
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[NH2+]1C[C@H](CCC1)Oc1c2c(cccn2)ccc1
### Response:
c1cnc2c(O[C@H]3CCC[NH2+]C3)cccc2c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1ccc([16*])c(OC)c1
Fragment 2: [7*]C1C(=O)N([10*])C(=O)C(C#N)=C1C
### Response:
CCOc1ccc(C=C2C(=O)N([C@H]3CCS(=O)(=O)C3)C(=O)C(C#N)=C2C)cc1OC |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1ccc(C)cc1O
Fragment 2: [5*]Nc1ccc(Br)c(N)c1
### Response:
Cc1ccc(C(=O)Nc2ccc(Br)c(N)c2)c(O)c1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CCCNC(=O)NC(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(NC1(CCC1)c1cccc(Br)c1)(=O)NCc1ncn(n1)C
### Response:
Cn1cnc(CNC(=O)NC2(c3cccc(Br)c3)CCC2)n1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [16*]c1cccc(Cl)c1
Fragment 2: [14*]c1scnc1C
### Response:
Cc1ncsc1CC[C@@H](CO)c1cccc(Cl)c1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [8*]C[C@@H]1CCCC[C@@H]1O
Fragment 2: [15*][C@@H]1CCCC[C@@H]1O
### Response:
O[C@H]1CCCC[C@H]1Cc1cnoc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]OC(C)C
Fragment 2: [1*]C(=O)c1ccc([16*])c(Br)c1
### Response:
CC(C)Oc1ccc(C(=O)NC(=S)NC(C)(C)C)cc1Br |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCN(C(=O)c1cc(C(C)C)n(C(C)(C)C)n1)c1cccnc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)c1c(N[5*])sc2c1CC(C)(C)[NH2+]C2(C)C
Fragment 2: [7*]Cc1cccs1
### Response:
CCOC(=O)c1c(NC(=O)/C=C/c2cccs2)sc2c1CC(C)(C)[NH2+]C2(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1(nc(C)c2c1n(c(n2)[C@H](C)Cl)[C@@H](C[NH+](C)C)C(C)C)C
### Response:
Cc1nn(C)c2c1nc([C@H](C)Cl)n2[C@@H](C[NH+](C)C)C(C)C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N+]2=CCCC2)cc(cc1)CNC(NCC1(CCSCC1)O)=O
### Response:
O=C(NCc1cccc([N+]2=CCCC2)c1)NCC1(O)CCSCC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
[C@@H]1(c2ccc(cc2)OC)[C@@H](C([O-])=O)C[NH2+]C1
### Response:
COc1ccc([C@H]2C[NH2+]C[C@@H]2C(=O)[O-])cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1cncn1
Fragment 2: [5*]N[C@@H](C)C[8*]
### Response:
C[C@H](NC(=O)N[C@@H](C)Cn1cc[nH+]c1)c1ccc(-n2cncn2)cc1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cn1cnc2c(Cl)cccc21
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
O=C(N[C@H]1CCCC[C@H]1C)Nc1ccccc1C
### Response:
Cc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
Clc1c(CN(C(c2cccc(S(=O)(=O)N(C)C(C)C)c2)=O)C)c(ccc1)F
### Response:
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)N(C)Cc2c(F)cccc2Cl)c1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
C[C@@H](OC(=O)Cn1nnc2ccccc21)C(=O)NCc1ccccc1
### Response:
No |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
COc1ccc(S(=O)(=O)NC[C@H](O)c2ccc(C)o2)cc1C
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a sulfonyl group?
FC(F)(F)c1[nH]nc2c1CN(Cc1ccccc1)CC2
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(c1sccc1)(c1sccc1)NC(=O)c1cccc2cc[nH]c21
### Response:
O=C(NC(c1cccs1)c1cccs1)c1cccc2cc[nH]c12 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
O=C(Nc1cnc2ccccc2c1)[C@@H]1c2ccccc2C(=O)N2CCc3ccccc3[C@H]12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(C(=O)OCc2nc3c(c(N)n2)c(c(C)o3)C(=O)OCC)c(F)cc1F
### Response:
CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(F)cc3F)nc(N)c12 |
functional_group | ### Instruction:
Does the molecule contain a amine group?
CC(C)(C)C(=O)N1CCCN(C(=O)Nc2c(F)cccc2F)CC1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
COC(=O)C1C(C)=NC2=C(C(=O)CCC2)[C@@H]1c1ccc(COc2ccc(Br)cc2)o1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CCO[C@@H]1C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1ccc([16*])cc1
Fragment 2: [1*]C(=O)C([1*])=O
### Response:
O=C(Nc1ccc(SC(F)F)cc1)C(=O)N1C[C@H]2CCCC[C@H]2C1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CC[C@H]([NH2+][C@@H](C)CCCO)CC[NH+]1CC
### Response:
CC[NH+]1CCC[C@H]([NH2+][C@@H](C)CCCO)CC1 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
Cn1c(=O)c2c(nc(Cl)n2CC(=O)Nc2ccccc2OC(F)F)n(C)c1=O
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1F
### Response:
Yes |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[C@@H](CNC(C)=C1C(=O)NC(=S)NC1=O)c1ccccc1
### Response:
4 |
functional_group | ### Instruction:
Does the molecule contain a halide group?
Nc1c(-c2ccccc2)c[nH]c1C(=O)[O-]
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1ccc2c3c(ccc2)N(C(=O)c31)C[NH+]1CCC(CC1)CN1CCOCC1
### Response:
O=C1c2cccc3cccc(c23)N1C[NH+]1CCC(CN2CCOCC2)CC1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
C[C@@H](Nc1ccc2c(c1)Cc1ccccc1-2)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1
### Response:
3 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
COc1ccc(C(=O)N(C[C@H]2C=c3cccc(C)c3=[NH+]C2=O)c2cccc(C)c2)cc1OC
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
C[C@H](NC(=O)N[C@H]1CCSc2c(F)cccc21)C(=O)N1CCCCC1
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1[C@@H](CC(N1Cc1ccc(cc1)C)=O)C(Nc1ccnn1[C@H](CC)C)=O
### Response:
CC[C@H](C)n1nccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3c(C)noc3C)CC2)c1C
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C[C@@H](Cn1c[nH+]c(c1C)C)[C@@H]1[C@@H]2[NH+](CC1)CCC2
### Response:
Cc1[nH+]cn(C[C@H](C)[C@H]2CC[NH+]3CCC[C@H]23)c1C |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
CCn1ccnc(NCC[C@@H](C)c2ccc(OC)cc2)c1=O
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
Cc1cccc(NC(=O)CSCC(=O)N2CCOC[C@H]2C2CC2)c1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cn1cnc(S(=O)(=O)NCC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1
### Response:
2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
n1cc(n(CC)c1)C(N1C[C@@H](C(=O)N(CCC)CC1)Cc1c(-c2ccccc2)cccc1)=O
### Response:
CCCN1CCN(C(=O)c2cncn2CC)C[C@H](Cc2ccccc2-c2ccccc2)C1=O |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(Cn1cnc2ccc(Cl)cc2c1=O)N[C@H]1CCOc2ccccc21
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCc1nnc(CN(C)[C@H](C)c2ccco2)o1
### Response:
2 |
functional_group | ### Instruction:
Does the molecule contain a phenol group?
Cc1cccc(NC(=O)NCc2cnn(-c3ccccc3)c2)c1
### Response:
No |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
CCNC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12
### Response:
0 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC(C)[C@H](C(=O)N1CCC[C@H](n2cccn2)C1)n1cncn1
### Response:
4 |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1c(N)cccc1NC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2
### Response:
5 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc3cccnc23)c1
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1cc(C)c2nc(N3CCN(C(=O)[C@@H]4CCCCN4S(C)(=O)=O)CC3)sc2c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc(C(=O)Nc2ccc(C3=NNC(=O)CC3)cc2)nn1-c1ccccc1C(C)C
### Response:
3 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)CC[4*]
Fragment 2: [1*]C(=O)c1ccoc1C
### Response:
CCN(CCC(=O)NCc1ccc(F)cc1)C(=O)c1ccoc1C |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1c([N-]S(=O)(=O)c2cc3ccccc3cc2)cc2n[nH]c(C)c2c1
### Response:
Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc12 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1cccc(C)c1C
Fragment 2: [11*]Sc1nc2ncc(Br)cc2[n-]1
### Response:
Cc1cccc(NC(=O)CSc2nc3ncc(Br)cc3[n-]2)c1C |
functional_group | ### Instruction:
Does the molecule contain a amide group?
C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc(F)c(F)c2F)C1
### Response:
Yes |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [13*][C@@H]1O[C@@H]2CC(C)(C)CC(=O)[C@@H]2[C@@H]1C1=C([O-])CC(C)(C)CC1=O
Fragment 2: [8*]Cc1ccccc1
### Response:
CC1(C)CC(=O)C([C@H]2[C@H]3C(=O)CC(C)(C)C[C@H]3O[C@H]2Cc2ccccc2)=C([O-])C1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC(C)CC[NH+](C/C([O-])=N/c1nncs1)C1CC1
### Response:
No |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [5*]Nc1n[nH]c2ccc([N+](=O)[O-])cc12
Fragment 2: [7*]Cc1cccc2cccnc12
### Response:
O=C(/C=C/c1cccc2cccnc12)Nc1n[nH]c2ccc([N+](=O)[O-])cc12 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
Cc1cc2c(cc1-c1cc(-c3cn(C)nc3C)nc(N)c1C#N)OCO2
### Response:
Yes |
ring_counting | ### Instruction:
Count the six-membered rings in the following molecule.
Cc1nnc(SCC(=O)Nc2cccc(F)c2)n1-n1cccc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [7*]Cc1c[nH]cn1
Fragment 2: [7*]C1NC([O-])=NC1=O
### Response:
O=C1N=C([O-])N/C1=C\c1c[nH]cn1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
CC(Oc1ccc(CCNC(=O)N[C@H]2c3nnc(C)n3CCC2)cc1)C
### Response:
Cc1nnc2n1CCC[C@H]2NC(=O)NCCc1ccc(OC(C)C)cc1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [9*]n1c(=S)[nH]c2cccnc21
Fragment 2: [8*][C@H](C)c1ccc(C)s1
### Response:
Cc1ccc([C@@H](C)n2c(=S)[nH]c3cccnc32)s1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)N1CCOC[C@@H](CO)C1
Fragment 2: [4*]CC(=C)C
### Response:
C=C(C)COc1ccccc1NC(=O)N1CCOC[C@@H](CO)C1 |
functional_group | ### Instruction:
Does the molecule contain a nitro group?
CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1
### Response:
No |
functional_group | ### Instruction:
Does the molecule contain a ester group?
CCc1cnc2c(c1SCC(=O)OC)c(=O)n(C)c(=O)n2C
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(S(=O)(=O)N2CCN(C[C@@H](O)CO)CC2)cc1
### Response:
0 |
functional_group | ### Instruction:
Does the molecule contain a ester group?
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NC[C@H]1CCCO1)c2[N+](=O)[O-]
### Response:
No |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cnc(CNC(=O)[C@H]2CCC[NH+](Cc3ccco3)C2)cn1
### Response:
1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1)[C@H]1CC(=O)C2=C(NC(C)=C([C@@H]2c2cccc([N+]([O-])=O)c2)C#N)C1
### Response:
CC1=C(C#N)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [3*]Oc1cc([16*])ccn1
Fragment 2: [14*]c1cc([16*])ccn1
### Response:
CC(C)Cc1noc(-c2ccnc(OC3CCC3)c2)n1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
C/N=c1\scc(-c2ccc3c(c2)NC(=O)CO3)n1/N=C/c1ccc(C#N)cc1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [1*]C(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3C2
Fragment 2: [5*]Nc1ccc(Br)cc1CC
### Response:
CCc1cc(Br)ccc1NC(=O)[C@@H]1[C@@H]2C[C@@H]3[C@@H]1C(=O)O[C@@H]3C2 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cccc(C#N)c1CS(Cc1ccc(F)c(c1)F)(=O)=O
### Response:
N#Cc1ccccc1CS(=O)(=O)Cc1ccc(F)c(F)c1 |
functional_group | ### Instruction:
Does the molecule contain a aromatic_ring group?
CC[NH+]1CCC[C@@]2(CC1)C[NH+]=C(N)N2c1ccc(C)cc1
### Response:
Yes |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
Cc1ccccc1-c1nn(CN2CCCc3ccc(S(C)(=O)=O)cc32)c(=S)o1
### Response:
1 |
fragment_assembly | ### Instruction:
Assemble these two molecular fragments into a single molecule.
Fragment 1: [14*]c1cnc(N)s1
Fragment 2: [9*]n1ccnc1
### Response:
Nc1ncc(-n2ccnc2)s1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
O=C(NC[C@H]1CC[C@H](C(=O)[O-])O1)c1ccccc1O
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
[NH3+][C@H](Cc1ccncc1)Cc1nc2ccccc2s1
### Response:
3 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1F
### Response:
0 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1nccn2ccnc12
### Response:
2 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
COC[C@@H](N[C@H](C)c1ccc(-n2ccnc2)cc1)c1ccc(F)c(F)c1
### Response:
1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H](O)c3ccccc3)cn2)CC1
### Response:
3 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1cc(ccc1-n1c(SCc2[nH]c(c3ccccc3n2)=O)nc2c(cccc2)c1=O)OC
### Response:
COc1ccc(-n2c(SCc3nc4ccccc4c(=O)[nH]3)nc3ccccc3c2=O)cc1 |
functional_group | ### Instruction:
Does the molecule contain a hydroxyl group?
Cc1c(C(=O)NC[C@@H](C)N(C)c2ccccc2)oc2c1C(=O)CCC2
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1N(C[C@H](OC1)c1c(cccc1)F)C(CCc1nc(-c2n[nH]cn2)no1)=O
### Response:
O=C(CCc1nc(-c2nc[nH]n2)no1)N1CCO[C@H](c2ccccc2F)C1 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1cccc2c1N(C(=O)c1cccc(CN3CCCC3=O)c1)CCC2
### Response:
1 |
functional_group | ### Instruction:
Does the molecule contain a amide group?
CC(C)[C@](C)(O)CNC(=O)Cn1ccc2ccccc21
### Response:
Yes |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(N(C)C)c(NC(CN2C[C@H](O[C@H](C)C2)C)=O)cc(cc1)S(N(C)C)(=O)=O
### Response:
C[C@@H]1CN(CC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2N(C)C)C[C@@H](C)O1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C1CN(C(=O)c2ccc(NC(=O)N3c4c(CCCC3)cccc4)cc2)CCN1Cc1ccccc1
### Response:
O=C(c1ccc(NC(=O)N2CCCCc3ccccc32)cc1)N1CCN(Cc2ccccc2)CC1 |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
C(N1CCCC1)(=O)c1ccc(SCC(=O)N2Cc3c(CC2)cccc3)nc1
### Response:
O=C(CSc1ccc(C(=O)N2CCCC2)cn1)N1CCc2ccccc2C1 |
ring_counting | ### Instruction:
Count the five-membered rings in the following molecule.
O=C(NC1(c2ccc(Br)cc2)CCC1)[C@H]1C[C@H]2CC[C@@H]1O2
### Response:
2 |
chain_length | ### Instruction:
What is the length of the longest acyclic carbon chain in the molecule?
Cc1nc([C@@H]2CCCN2C(=O)CCc2ccc(N(C)C)cc2)ncc1C(=O)N1CCCCC1
### Response:
3 |
functional_group | ### Instruction:
Does the molecule contain a nitrile group?
O=C(c1cccs1)N(Cc1ccc(F)cc1)Cc1cc(-c2ccccc2)cn2nnnc12
### Response:
No |
canonicalization | ### Instruction:
Canonicalize the following SMILES string.
c1(CC(=O)N2[C@@H](CCCC)C=CC2)n[nH]c([nH]1)=O
### Response:
CCCC[C@H]1C=CCN1C(=O)Cc1n[nH]c(=O)[nH]1 |
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